A0A087XFP3_POEFO Loading...

Disintegrin and metalloproteinase domain-containing protein 10

AlphaFold DB , UniProt , Accession A0A087XFP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 781 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	36.5	Very low	46.2	Very low	231 Å²	231	120.8 Å²	120.8	100%	1.138	67%	0.665	S	S	*	*				0	105.3	0	-84.9	-173.9	169.7	0	0	107.2
2	D	39.2	Very low	46.7	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	66%	0.664	S	S	*	*			trans	-84.3	118.8	-170.4	-56.7	-99.7	0	0	0	110.6	S4	D2-S4 PolarHBondContact O-N 3.29Å
3	L	40.9	Very low	46.5	Very low	171 Å²	171	122.5 Å²	122.5	90%	0.895	66%	0.659	S	S	*	*			trans	-90	69.9	159.4	-82.5	83.7	0	0	0	108.9
4	S	44.4	Very low	46.5	Very low	89 Å²	89	123.7 Å²	123.7	62%	0.622	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-62.6	129.1	158.3	-81.4	0	0	0	0	108.6	D2	D2-S4 PolarHBondContact O-N 3.29Å
5	P	44.8	Very low	46.8	Very low	67 Å²	67	120 Å²	120	44%	0.435	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-64.2	146.5	176.4	27.6	-34.3	0	0	0	110
6	P	49.5	Very low	46.4	Very low	87 Å²	87	123.6 Å²	123.6	57%	0.565	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-61.6	139.1	-168.4	24.1	-34.5	0	0	0	112.1	P8 L9	P6-P8 VanDerWaalsContact C-CD 3.44Å; P6-P8 HydrophobicContact CB-CG 4.4Å; P6-P8 VanDerWaalsContact O-N 3.14Å; P6-L9 PolarHBondContact O-N 2.93Å
7	L	51.8	Low	45.7	Very low	139 Å²	139	123 Å²	123	73%	0.728	64%	0.64	S	S	*	*	H	α-helix	trans	-40.3	-49.6	-177.6	-139.6	76.9	0	0	0	115.1	L9 K10 V11	L7-L9 PolarHBondContact O-N 3.16Å; L7-K10 PolarHBondContact O-N 2.63Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 2.88Å
8	P	51.9	Low	45.2	Very low	85 Å²	85	120.7 Å²	120.7	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-58.6	-29.5	180	21	-35	0	0	0	114.5	P6 V11 F12	P6-P8 VanDerWaalsContact C-CD 3.44Å; P6-P8 HydrophobicContact CB-CG 4.4Å; P6-P8 VanDerWaalsContact O-N 3.14Å; P8-V11 PolarHBondContact O-N 3.34Å; P8-F12 WeakPolarHBondContact O-CB 3.45Å; P8-F12 PolarHBondContact O-N 2.95Å
9	L	48.4	Very low	44.5	Very low	109 Å²	109	121 Å²	121	57%	0.571	63%	0.631	S	S	*	*	H	α-helix	trans	-74.9	-36	-179.1	-154	76.8	0	0	0	111.9	P6 L7 L13	P6-L9 PolarHBondContact O-N 2.93Å; L7-L9 PolarHBondContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 3.04Å; L9-L13 VanDerWaalsContact O-N 3.16Å
10	K	46.2	Very low	43.8	Very low	123 Å²	123	125.1 Å²	125.1	54%	0.535	64%	0.639	S	S	.	*	H	α-helix	trans	-66.2	-42.8	170.1	-77	-175.8	173	178.3	0	111.1	L7 L13 F14	L7-K10 PolarHBondContact O-N 2.63Å; K10-L13 PolarHBondContact O-N 3.38Å; K10-F14 WeakPolarHBondContact O-CB 3.35Å; K10-F14 PolarHBondContact O-N 3.05Å
11	V	54.8	Low	43.1	Very low	79 Å²	79	124.4 Å²	124.4	48%	0.479	64%	0.641	S	S	.	*	H	α-helix	trans	-62.1	-43.7	176.4	174	0	0	0	0	111.1	L7 P8 F14 V15	L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 2.88Å; P8-V11 PolarHBondContact O-N 3.34Å; V11-F14 PolarHBondContact O-N 3.44Å; V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.34Å; V11-V15 PolarHBondContact O-N 3.16Å
12	F	52.2	Low	42.9	Very low	149 Å²	149	121.4 Å²	121.4	65%	0.654	62%	0.624	S	S	*	*	H	α-helix	trans	-61.9	-45.1	177.3	-106.1	-89.3	0	0	0	112.8	P8 F14 V15 Y16	P8-F12 WeakPolarHBondContact O-CB 3.45Å; P8-F12 PolarHBondContact O-N 2.95Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 2.86Å; F12-V15 PolarHBondContact O-N 3.47Å; F12-Y16 WeakPolarHBondContact O-CB 3.48Å; F12-Y16 PolarHBondContact O-N 3.43Å
13	L	44.3	Very low	42.5	Very low	114 Å²	114	115.6 Å²	115.6	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-62.5	-40.3	174	-103.9	80.2	0	0	0	112.1	L9 K10 Y16 L17	L9-L13 PolarHBondContact O-N 3.04Å; L9-L13 VanDerWaalsContact O-N 3.16Å; K10-L13 PolarHBondContact O-N 3.38Å; L13-Y16 PolarHBondContact O-N 3.18Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.21Å
14	F	45.9	Very low	42.3	Very low	140 Å²	140	111.6 Å²	111.6	61%	0.614	58%	0.577	S	S	*	*	H	α-helix	trans	-67.9	-40	-179.2	-148.1	-102.6	0	0	0	111.9	K10 V11 F12 L17 L18	K10-F14 WeakPolarHBondContact O-CB 3.35Å; K10-F14 PolarHBondContact O-N 3.05Å; V11-F14 PolarHBondContact O-N 3.44Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 2.86Å; F14-L17 PolarHBondContact O-N 3.22Å; F14-L18 HydrophobicContact CD1-CD1 3.64Å; F14-L18 HydrophobicContact CD1-CG 4.22Å; F14-L18 HydrophobicContact CE1-CD1 3.91Å; F14-L18 HydrophobicContact CE1-CG 4.36Å; F14-L18 WeakPolarHBondContact O-CB 3.29Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.41Å; F14-L18 PolarHBondContact O-N 2.97Å
15	V	51.2	Low	41.9	Very low	68 Å²	68	112.2 Å²	112.2	41%	0.412	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-41.6	173.2	170.7	0	0	0	0	111.3	V11 F12 L17 L18 N19	V11-V15 HydrophobicContact CG1-CG2 4.22Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.34Å; V11-V15 PolarHBondContact O-N 3.16Å; F12-V15 PolarHBondContact O-N 3.47Å; V15-L17 VanDerWaalsContact C-N 3.31Å; V15-L17 PolarHBondContact O-N 2.86Å; V15-L18 PolarHBondContact O-N 2.96Å; V15-N19 WeakPolarHBondContact O-CB 3.34Å; V15-N19 PolarHBondContact O-N 3.48Å; V15-N19 PolarHBondContact O-ND2 3.18Å
16	Y	40.1	Very low	42	Very low	178 Å²	178	110.1 Å²	110.1	70%	0.698	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-33.2	178.5	-148	-84.8	0	0	0	112.5	F12 L13	F12-Y16 WeakPolarHBondContact O-CB 3.48Å; F12-Y16 PolarHBondContact O-N 3.43Å; L13-Y16 PolarHBondContact O-N 3.18Å
17	L	35.4	Very low	42.1	Very low	113 Å²	113	107.4 Å²	107.4	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-77.1	-39.6	174.5	-71.6	167.4	0	0	0	112.7	L13 F14 V15 Y20	L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.21Å; F14-L17 PolarHBondContact O-N 3.22Å; V15-L17 VanDerWaalsContact C-N 3.31Å; V15-L17 PolarHBondContact O-N 2.86Å; L17-Y20 WeakPolarHBondContact O-CB 3.4Å; L17-Y20 PolarHBondContact O-N 2.91Å; L17-Y20 VanDerWaalsContact O-N 3.12Å
18	L	35.6	Very low	42.4	Very low	82 Å²	82	101.3 Å²	101.3	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.7	-78.3	168.3	0	0	0	111.8	F14 V15 Y20 T21 Q22	F14-L18 HydrophobicContact CD1-CD1 3.64Å; F14-L18 HydrophobicContact CD1-CG 4.22Å; F14-L18 HydrophobicContact CE1-CD1 3.91Å; F14-L18 HydrophobicContact CE1-CG 4.36Å; F14-L18 WeakPolarHBondContact O-CB 3.29Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.41Å; F14-L18 PolarHBondContact O-N 2.97Å; V15-L18 PolarHBondContact O-N 2.96Å; L18-Y20 PolarHBondContact O-N 3.36Å; L18-Y20 VanDerWaalsContact O-N 3.08Å; L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 PolarHBondContact O-OG1 2.93Å; L18-Q22 PolarHBondContact O-N 3.43Å
19	N	32	Very low	43.2	Very low	126 Å²	126	97.9 Å²	97.9	67%	0.674	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	175	-75.2	-14.5	0	0	0	113.6	V15	V15-N19 WeakPolarHBondContact O-CB 3.34Å; V15-N19 PolarHBondContact O-N 3.48Å; V15-N19 PolarHBondContact O-ND2 3.18Å
20	Y	30.2	Very low	44.1	Very low	202 Å²	202	94.1 Å²	94.1	79%	0.792	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.2	177.1	-143.4	-89.9	0	0	0	113.5	L17 L18	L17-Y20 WeakPolarHBondContact O-CB 3.4Å; L17-Y20 PolarHBondContact O-N 2.91Å; L17-Y20 VanDerWaalsContact O-N 3.12Å; L18-Y20 PolarHBondContact O-N 3.36Å; L18-Y20 VanDerWaalsContact O-N 3.08Å
21	T	31	Very low	44.8	Very low	112 Å²	112	91.6 Å²	91.6	69%	0.687	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-9.7	-171.4	56.4	0	0	0	0	115.7	L18 G23	L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 PolarHBondContact O-OG1 2.93Å; T21-G23 PolarHBondContact O-N 3.29Å
22	Q	31.3	Very low	45.4	Very low	167 Å²	167	87.9 Å²	87.9	78%	0.78	42%	0.422	S	S	*	.	S	Bend	trans	-97.8	86.1	-176.9	-156.4	157.3	14.9	0	0	111	L18	L18-Q22 PolarHBondContact O-N 3.43Å
23	G	30.4	Very low	46.5	Very low	28 Å²	28	80.8 Å²	80.8	29%	0.289	39%	0.392	S	S	.	.			trans	-63.1	150.8	-169.4	0	0	0	0	0	115.5	T21 Y25	T21-G23 PolarHBondContact O-N 3.29Å; G23-Y25 WeakPolarHBondContact O-CD2 3.37Å
24	H	37.2	Very low	47.7	Very low	87 Å²	87	80 Å²	80	40%	0.403	38%	0.381	S	S	.	.			trans	-68.6	129.1	171.9	-58.4	-157.7	0	0	0	107.5	D152 P154 F155	H24-D152 PolarHBondContact CE1-O 3Å; H24-D152 PolarHBondContact ND1-O 3.47Å; H24-D152 VanDerWaalsContact ND1-O 3.08Å; H24-P154 HydrophobicContact CB-CG 4.43Å; H24-F155 HydrophobicContact CB-CE1 4.32Å; H24-F155 WeakPolarHBondContact O-CE1 3.28Å
25	Y	35.5	Very low	48.9	Very low	101 Å²	101	74.2 Å²	74.2	40%	0.396	36%	0.356	S	S	.	.			trans	-146.7	114.6	-169	-99	-66.1	0	0	0	115.7	G23 P631 A632	G23-Y25 WeakPolarHBondContact O-CD2 3.37Å; Y25-P631 CarbonylContact O-C 3.33Å; Y25-A632 CarbonylContact C-O 3.44Å; Y25-A632 CarbonylContact O-C 3.54Å; Y25-A632 VanDerWaalsContact O-CA 3.27Å; Y25-A632 WeakPolarHBondContact O-CA 3.4Å; Y25-A632 PolarHBondContact O-N 3.36Å
26	R	47.3	Very low	50.3	Low	24 Å²	24	71.2 Å²	71.2	9%	0.091	34%	0.337	C	S	.	.			trans	73.8	72.5	155.9	-29.3	-166.5	-48.5	-126.5	-169.2	117.5	H560 T563 P631 G633 S634	R26-H560 PolarHBondContact NH2-CD2 3.13Å; R26-T563 PolarHBondContact NH1-OG1 3.2Å; R26-P631 HydrophobicContact CB-CB 3.86Å; R26-P631 HydrophobicContact CB-CG 3.62Å; R26-P631 HydrophobicContact CG-CB 4.05Å; R26-P631 HydrophobicContact CG-CG 4.22Å; R26-P631 VanDerWaalsContact NE-CG 3.3Å; R26-G633 CarbonylContact O-C 3.39Å; R26-G633 VanDerWaalsContact O-C 3.28Å; R26-G633 VanDerWaalsContact O-CA 3.31Å; R26-G633 WeakPolarHBondContact O-CA 3.34Å; R26-G633 PolarHBondContact O-N 3.34Å; R26-S634 PolarHBondContact O-N 3.2Å; R26-S634 PolarHBondContact O-OG 2.83Å
27	N	50.6	Low	52.1	Low	30 Å²	30	63.2 Å²	63.2	16%	0.16	31%	0.306	C	S	.	.			trans	-76.5	166.5	154.8	-67.9	-121.8	0	0	0	110.4	Y36 A632 G633	N27-Y36 HydrophobicContact CB-CE1 4.02Å; N27-Y36 WeakPolarHBondContact O-CD1 3.25Å; N27-Y36 WeakPolarHBondContact O-CE1 3.4Å; N27-A632 PolarHBondContact ND2-O 2.95Å; N27-G633 VanDerWaalsContact CA-C 3.44Å; N27-G633 VanDerWaalsContact CA-CA 3.47Å; N27-G633 WeakPolarHBondContact CA-O 3.44Å; N27-G633 WeakPolarHBondContact ND2-CA 3.21Å
28	P	59.7	Low	54.1	Low	11 Å²	11	58.3 Å²	58.3	7%	0.071	28%	0.283	C	S	.	.			trans	-56.7	133.1	141.3	-17.9	32.9	0	0	0	108.2	N30 I33 G633 P635 Y642	P28-N30 VanDerWaalsContact C-N 3.31Å; P28-I33 CarbonylContact C-O 3.24Å; P28-I33 VanDerWaalsContact CA-O 3.26Å; P28-I33 WeakPolarHBondContact CA-O 3.34Å; P28-G633 WeakPolarHBondContact CD-O 3.11Å; P28-P635 HydrophobicContact CG-CB 3.74Å; P28-P635 HydrophobicContact CG-CG 3.83Å; P28-Y642 HydrophobicContact CB-CE1 4.06Å; P28-Y642 HydrophobicContact CG-CD1 3.99Å; P28-Y642 HydrophobicContact CG-CE1 3.71Å
29	L	67.1	Low	56.5	Low	12 Å²	12	54.6 Å²	54.6	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-73.9	-30.3	-178.5	-163	63.7	0	0	0	111.2	I33 Y36 Y147 V158 Y160	L29-I33 HydrophobicContact CB-CB 3.9Å; L29-I33 HydrophobicContact CB-CG2 3.74Å; L29-I33 HydrophobicContact CD2-CD1 4Å; L29-I33 HydrophobicContact CD2-CG2 4.17Å; L29-I33 PolarHBondContact N-O 3.4Å; L29-Y36 HydrophobicContact CB-CD1 3.67Å; L29-Y36 HydrophobicContact CB-CE1 4.04Å; L29-Y36 HydrophobicContact CB-CG 4.5Å; L29-Y36 HydrophobicContact CD1-CD1 3.71Å; L29-Y36 HydrophobicContact CD1-CD2 4.48Å; L29-Y36 HydrophobicContact CD1-CE1 3.6Å; L29-Y36 HydrophobicContact CD1-CE2 4.47Å; L29-Y36 HydrophobicContact CD1-CG 4.16Å; L29-Y36 HydrophobicContact CG-CD1 4.18Å; L29-Y36 HydrophobicContact CG-CE1 4.41Å; L29-Y147 HydrophobicContact CD1-CD1 4.26Å; L29-Y147 HydrophobicContact CD1-CD2 3.68Å; L29-Y147 HydrophobicContact CD1-CE2 4.41Å; L29-Y147 HydrophobicContact CD1-CG 3.59Å; L29-Y147 HydrophobicContact CD2-CD1 4.09Å; L29-Y147 HydrophobicContact CD2-CD2 3.76Å; L29-Y147 HydrophobicContact CD2-CE1 3.95Å; L29-Y147 HydrophobicContact CD2-CE2 3.62Å; L29-Y147 HydrophobicContact CD2-CG 3.98Å; L29-Y147 HydrophobicContact CG-CD1 3.62Å; L29-Y147 HydrophobicContact CG-CD2 3.71Å; L29-Y147 HydrophobicContact CG-CE1 3.98Å; L29-Y147 HydrophobicContact CG-CE2 4.07Å; L29-Y147 HydrophobicContact CG-CG 3.45Å; L29-Y147 VanDerWaalsContact CG-CG 3.45Å; L29-V158 HydrophobicContact CD1-CB 4.37Å; L29-V158 HydrophobicContact CD1-CG1 4.06Å; L29-V158 HydrophobicContact CD1-CG2 4.08Å; L29-V158 HydrophobicContact CD2-CB 4.44Å; L29-V158 HydrophobicContact CD2-CG2 3.72Å; L29-Y160 HydrophobicContact CD2-CD1 4.23Å; L29-Y160 HydrophobicContact CD2-CE1 4.21Å
30	N	68.2	Low	59	Low	31 Å²	31	51.8 Å²	51.8	17%	0.166	25%	0.253	C	S	.	.	S	Bend	trans	-162.5	-164.4	172.8	60.8	24.5	0	0	0	109.7	P28 Y32 I33	P28-N30 VanDerWaalsContact C-N 3.31Å; N30-Y32 PolarHBondContact O-N 3.49Å; N30-Y32 VanDerWaalsContact O-N 3.13Å; N30-Y32 WeakPolarHBondContact OD1-CA 3.47Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Y32 PolarHBondContact OD1-N 3.46Å; N30-I33 PolarHBondContact OD1-N 2.89Å
31	K	61.8	Low	61.9	Low	70 Å²	70	43.7 Å²	43.7	30%	0.304	22%	0.222	S	C	.	.	S	Bend	trans	-66.8	-8	178.4	82.2	174.9	-175	-157.5	0	115.2	N371 Y372 S374	K31-N371 PolarHBondContact NZ-O 2.83Å; K31-Y372 PolarHBondContact NZ-O 3Å; K31-S374 VanDerWaalsContact CD-OG 3.31Å; K31-S374 WeakPolarHBondContact CD-OG 3.33Å; K31-S374 VanDerWaalsContact CE-OG 3.31Å; K31-S374 WeakPolarHBondContact CE-OG 3.33Å; K31-S374 PolarHBondContact NZ-OG 3.2Å
32	Y	66.8	Low	64.6	Low	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-113.1	-44.4	-174.5	-59	-63.9	0	0	0	112.8	N30 R34 H166 Y167 P168 N371 H375 V376 P377	N30-Y32 PolarHBondContact O-N 3.49Å; N30-Y32 VanDerWaalsContact O-N 3.13Å; N30-Y32 WeakPolarHBondContact OD1-CA 3.47Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Y32 PolarHBondContact OD1-N 3.46Å; Y32-R34 PolarHBondContact O-N 3.38Å; Y32-H166 PolarHBondContact O-N 2.78Å; Y32-Y167 AromaticContact CD1-CD2 3.54Å; Y32-Y167 HydrophobicContact CD1-CD2 3.54Å; Y32-Y167 AromaticContact CD1-CE2 3.8Å; Y32-Y167 HydrophobicContact CD1-CE2 3.8Å; Y32-Y167 HydrophobicContact CD1-CG 4.19Å; Y32-Y167 HydrophobicContact CE1-CD1 4.41Å; Y32-Y167 AromaticContact CE1-CD2 3.29Å; Y32-Y167 HydrophobicContact CE1-CD2 3.29Å; Y32-Y167 HydrophobicContact CE1-CE1 4.25Å; Y32-Y167 AromaticContact CE1-CE2 3.07Å; Y32-Y167 HydrophobicContact CE1-CE2 3.07Å; Y32-Y167 AromaticContact CE1-CG 3.96Å; Y32-Y167 HydrophobicContact CE1-CG 3.96Å; Y32-Y167 AromaticContact CE1-CZ 3.58Å; Y32-Y167 AromaticContact CZ-CE2 3.51Å; Y32-Y167 AromaticContact CZ-CZ 3.94Å; Y32-Y167 PolarHBondContact OH-OH 2.61Å; Y32-P168 VanDerWaalsContact CD1-CD 3.49Å; Y32-P168 HydrophobicContact CD1-CG 4.47Å; Y32-N371 PolarHBondContact OH-O 3.24Å; Y32-H375 VanDerWaalsContact CD2-O 3.22Å; Y32-H375 WeakPolarHBondContact CD2-O 3.26Å; Y32-H375 WeakPolarHBondContact CE2-O 3.27Å; Y32-V376 HydrophobicContact CE2-CG1 4.4Å; Y32-P377 HydrophobicContact CD2-CG 4.2Å; Y32-P377 HydrophobicContact CG-CG 4.03Å
33	I	74.3	Confident	67.5	Low	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-93.6	102.8	-174.3	-62.7	159.2	0	0	0	108	P28 L29 N30 H35 Y160 P377	P28-I33 CarbonylContact C-O 3.24Å; P28-I33 VanDerWaalsContact CA-O 3.26Å; P28-I33 WeakPolarHBondContact CA-O 3.34Å; L29-I33 HydrophobicContact CB-CB 3.9Å; L29-I33 HydrophobicContact CB-CG2 3.74Å; L29-I33 HydrophobicContact CD2-CD1 4Å; L29-I33 HydrophobicContact CD2-CG2 4.17Å; L29-I33 PolarHBondContact N-O 3.4Å; N30-I33 PolarHBondContact OD1-N 2.89Å; I33-H35 WeakPolarHBondContact CG2-O 3.2Å; I33-Y160 HydrophobicContact CD1-CD1 4.39Å; I33-Y160 HydrophobicContact CD1-CD2 4.38Å; I33-Y160 HydrophobicContact CD1-CE1 3.79Å; I33-Y160 HydrophobicContact CD1-CE2 3.76Å; I33-Y160 VanDerWaalsContact CD1-CZ 3.43Å; I33-Y160 HydrophobicContact CG1-CD2 4.2Å; I33-Y160 HydrophobicContact CG1-CE2 3.87Å; I33-Y160 HydrophobicContact CG2-CD1 4.09Å; I33-Y160 HydrophobicContact CG2-CD2 3.92Å; I33-Y160 HydrophobicContact CG2-CE2 4.39Å; I33-Y160 HydrophobicContact CG2-CG 3.75Å; I33-P377 HydrophobicContact CD1-CG 4.49Å; I33-P377 HydrophobicContact CG1-CG 4.27Å
34	R	69.7	Low	70.4	Confident	97 Å²	97	43.1 Å²	43.1	37%	0.366	21%	0.21	S	C	.	.			trans	-78.5	-27	-172	-75.1	-176.2	165.4	164.8	-0.1	114.2	Y32 D164 H166	Y32-R34 PolarHBondContact O-N 3.38Å; R34-D164 PolarHBondContact N-O 3.35Å; R34-H166 HydrophobicContact CG-CB 4.19Å; R34-H166 PolarHBondContact NH1-CD2 3.45Å; R34-H166 VanDerWaalsContact NH1-CG 3.33Å; R34-H166 PolarHBondContact NH1-ND1 3.27Å; R34-H166 PolarHBondContact NH2-CD2 3.45Å; R34-H166 PolarHBondContact NH2-NE2 3.01Å
35	H	72.2	Confident	73	Confident	19 Å²	19	42.3 Å²	42.3	9%	0.088	21%	0.208	C	C	.	.			trans	-141	145.2	-175.5	175.7	80.4	0	0	0	109.1	I33 Y160 D164 H560	I33-H35 WeakPolarHBondContact CG2-O 3.2Å; H35-Y160 WeakPolarHBondContact O-CB 3.47Å; H35-D164 HydrophobicContact CB-CB 4.13Å; H35-D164 IonicContact CD2-OD1 2.71Å; H35-D164 IonicContact CD2-OD2 2.72Å; H35-D164 IonicContact CG-OD1 2.66Å; H35-H560 AromaticContact CE1-CD2 3.8Å
36	Y	78.9	Confident	75.7	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.016	19%	0.19	C	C	.	.			trans	-156	159.3	171.5	71	-94.1	0	0	0	109.1	N27 L29 F155 V158 I159	N27-Y36 HydrophobicContact CB-CE1 4.02Å; N27-Y36 WeakPolarHBondContact O-CD1 3.25Å; N27-Y36 WeakPolarHBondContact O-CE1 3.4Å; L29-Y36 HydrophobicContact CB-CD1 3.67Å; L29-Y36 HydrophobicContact CB-CE1 4.04Å; L29-Y36 HydrophobicContact CB-CG 4.5Å; L29-Y36 HydrophobicContact CD1-CD1 3.71Å; L29-Y36 HydrophobicContact CD1-CD2 4.48Å; L29-Y36 HydrophobicContact CD1-CE1 3.6Å; L29-Y36 HydrophobicContact CD1-CE2 4.47Å; L29-Y36 HydrophobicContact CD1-CG 4.16Å; L29-Y36 HydrophobicContact CG-CD1 4.18Å; L29-Y36 HydrophobicContact CG-CE1 4.41Å; Y36-F155 HydrophobicContact CE2-CE2 4.24Å; Y36-F155 AromaticContact CE2-CZ 3.99Å; Y36-F155 HydrophobicContact CE2-CZ 3.99Å; Y36-V158 HydrophobicContact CD2-CB 3.95Å; Y36-V158 HydrophobicContact CD2-CG1 3.59Å; Y36-V158 HydrophobicContact CE2-CG1 3.71Å; Y36-V158 HydrophobicContact CG-CB 4.43Å; Y36-V158 HydrophobicContact CG-CG1 4.39Å; Y36-I159 WeakPolarHBondContact CA-O 3.33Å
37	E	78	Confident	77.7	Confident	10 Å²	10	39.6 Å²	39.6	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.9	165	-67.1	-173.9	168.8	0	0	110.5	A70 H71 V158 I159 H560	E37-A70 WeakPolarHBondContact OE2-CA 3.12Å; E37-A70 WeakPolarHBondContact OE2-CB 3.38Å; E37-H71 WeakPolarHBondContact OE1-CA 3.37Å; E37-H71 PolarHBondContact OE1-N 2.8Å; E37-H71 VanDerWaalsContact OE1-N 3.14Å; E37-H71 IonicContact OE2-CD2 2.64Å; E37-H71 PolarHBondContact OE2-N 2.83Å; E37-V158 WeakPolarHBondContact O-CA 3.47Å; E37-I159 HydrophobicContact CB-CG2 4.05Å; E37-I159 PolarHBondContact N-O 2.71Å; E37-I159 PolarHBondContact O-N 2.84Å; E37-H560 VanDerWaalsContact CG-NE2 3.27Å; E37-H560 WeakPolarHBondContact CG-NE2 3.48Å; E37-H560 IonicContact OE1-CE1 2.64Å; E37-H560 PolarHBondContact OE1-CE1 2.85Å; E37-H560 IonicContact OE1-ND1 2.7Å; E37-H560 PolarHBondContact OE1-ND1 3.4Å; E37-H560 IonicContact OE1-NE2 3.76Å; E37-H560 PolarHBondContact OE1-NE2 2.97Å; E37-H560 IonicContact OE2-NE2 3.12Å
38	G	79.1	Confident	79.4	Confident	11 Å²	11	40.2 Å²	40.2	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.8	168.2	0	0	0	0	0	110.1	F155	G38-F155 VanDerWaalsContact CA-CG 3.45Å
39	L	85.8	Confident	80.8	Confident	4 Å²	4	42 Å²	42	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.4	-177.1	179.1	59.8	0	0	0	111	Y41 F68 V141 H156 S157 I159	L39-Y41 HydrophobicContact CD1-CD1 4.1Å; L39-Y41 HydrophobicContact CD1-CE1 4.36Å; L39-Y41 HydrophobicContact CD2-CD1 4.47Å; L39-Y41 HydrophobicContact CD2-CE1 3.91Å; L39-Y41 HydrophobicContact CG-CD1 4.06Å; L39-Y41 HydrophobicContact CG-CE1 3.89Å; L39-F68 HydrophobicContact CD1-CB 3.83Å; L39-F68 HydrophobicContact CD1-CD2 3.49Å; L39-F68 VanDerWaalsContact CD1-CD2 3.49Å; L39-F68 HydrophobicContact CD1-CE2 4.15Å; L39-F68 HydrophobicContact CD1-CG 3.72Å; L39-F68 HydrophobicContact CD2-CD2 4.24Å; L39-F68 HydrophobicContact CD2-CE2 4.12Å; L39-F68 HydrophobicContact CD2-CZ 4.29Å; L39-V141 HydrophobicContact CD2-CG1 3.79Å; L39-V141 HydrophobicContact CD2-CG2 4.24Å; L39-H156 PolarHBondContact O-CE1 2.85Å; L39-S157 PolarHBondContact N-O 3.49Å; L39-S157 PolarHBondContact O-N 3.25Å; L39-I159 HydrophobicContact CB-CB 4.46Å; L39-I159 HydrophobicContact CB-CG2 4.01Å; L39-I159 HydrophobicContact CD2-CB 4.28Å; L39-I159 HydrophobicContact CD2-CG2 4.39Å
40	S	83.6	Confident	81.7	Confident	66 Å²	66	42 Å²	42	46%	0.462	21%	0.213	S	C	.	.			trans	-129.5	137	176.5	-58	0	0	0	0	110.8	P154 F155	S40-P154 PolarHBondContact OG-O 2.96Å; S40-F155 WeakPolarHBondContact OG-CA 3.34Å; S40-F155 VanDerWaalsContact OG-CB 3.22Å; S40-F155 WeakPolarHBondContact OG-CB 3.31Å
41	Y	90.3	Very high	82.5	Confident	33 Å²	33	43 Å²	43	13%	0.129	22%	0.217	C	C	.	.			trans	-152.2	175.9	166.9	47.1	-101.7	0	0	0	109.4	L39 T43 I46 L66 F68 G126 F128 H156	L39-Y41 HydrophobicContact CD1-CD1 4.1Å; L39-Y41 HydrophobicContact CD1-CE1 4.36Å; L39-Y41 HydrophobicContact CD2-CD1 4.47Å; L39-Y41 HydrophobicContact CD2-CE1 3.91Å; L39-Y41 HydrophobicContact CG-CD1 4.06Å; L39-Y41 HydrophobicContact CG-CE1 3.89Å; Y41-T43 HydrophobicContact CE2-CG2 4.31Å; Y41-T43 PolarHBondContact O-N 2.85Å; Y41-I46 HydrophobicContact CD2-CG1 3.87Å; Y41-I46 HydrophobicContact CE2-CG1 4.06Å; Y41-L66 HydrophobicContact CD1-CD1 3.9Å; Y41-L66 HydrophobicContact CD2-CD1 3.8Å; Y41-L66 HydrophobicContact CE1-CD1 3.94Å; Y41-L66 HydrophobicContact CE1-CD2 4.46Å; Y41-L66 HydrophobicContact CE2-CD1 3.84Å; Y41-L66 HydrophobicContact CG-CD1 3.85Å; Y41-F68 HydrophobicContact CD1-CB 4.26Å; Y41-F68 HydrophobicContact CD1-CD1 4.4Å; Y41-G126 WeakPolarHBondContact CE2-O 3.05Å; Y41-F128 WeakPolarHBondContact OH-CB 3.03Å; Y41-F128 PolarHBondContact OH-N 2.81Å; Y41-H156 AromaticContact CE1-CE1 3.67Å; Y41-H156 AromaticContact CE2-CE1 3.78Å; Y41-H156 AromaticContact CZ-CE1 3.5Å; Y41-H156 VanDerWaalsContact CZ-CE1 3.5Å; Y41-H156 PolarHBondContact N-NE2 3.38Å; Y41-H156 VanDerWaalsContact N-NE2 3.14Å; Y41-H156 PolarHBondContact O-NE2 3.43Å
42	D	89.3	Confident	83.5	Confident	93 Å²	93	45.4 Å²	45.4	50%	0.497	22%	0.224	S	C	.	.			trans	-71.7	94.1	-178.6	-175.6	-14.5	0	0	0	111.4	E44 L45 I46	D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 3.06Å; D42-E44 PolarHBondContact OD1-N 3.48Å; D42-E44 VanDerWaalsContact OD1-N 3.13Å; D42-L45 HydrophobicContact CB-CB 3.86Å; D42-L45 HydrophobicContact CB-CD2 4.5Å; D42-L45 PolarHBondContact O-N 3.25Å; D42-L45 WeakPolarHBondContact OD1-CB 3.39Å; D42-L45 PolarHBondContact OD1-N 2.86Å; D42-L45 VanDerWaalsContact OD2-CB 3.28Å; D42-L45 WeakPolarHBondContact OD2-CB 2.96Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 2.99Å
43	T	92.1	Very high	84.2	Confident	40 Å²	40	45.4 Å²	45.4	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-30.6	179.2	51.5	0	0	0	0	112.7	Y41 I46 H47 G126 K127	Y41-T43 HydrophobicContact CE2-CG2 4.31Å; Y41-T43 PolarHBondContact O-N 2.85Å; T43-I46 PolarHBondContact O-N 3.34Å; T43-H47 VanDerWaalsContact O-CB 3.25Å; T43-H47 WeakPolarHBondContact O-CB 3.32Å; T43-H47 PolarHBondContact O-N 3.39Å; T43-G126 WeakPolarHBondContact O-CA 3.45Å; T43-K127 HydrophobicContact CG2-CG 4.09Å
44	E	90.9	Very high	84.4	Confident	162 Å²	162	49 Å²	49	76%	0.757	24%	0.239	S	C	*	.	H	α-helix	trans	-68.1	-42.5	175.6	-65.5	-167.5	-177.9	0	0	110.8	D42 H47 S48	D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 3.06Å; D42-E44 PolarHBondContact OD1-N 3.48Å; D42-E44 VanDerWaalsContact OD1-N 3.13Å; E44-H47 PolarHBondContact O-N 2.83Å; E44-S48 WeakPolarHBondContact O-CB 3.21Å; E44-S48 PolarHBondContact O-N 2.85Å
45	L	91.2	Very high	84.8	Confident	70 Å²	70	53.2 Å²	53.2	37%	0.366	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-47.2	172.7	177.4	61.7	0	0	0	111.5	D42 S48 K49	D42-L45 HydrophobicContact CB-CB 3.86Å; D42-L45 HydrophobicContact CB-CD2 4.5Å; D42-L45 PolarHBondContact O-N 3.25Å; D42-L45 WeakPolarHBondContact OD1-CB 3.39Å; D42-L45 PolarHBondContact OD1-N 2.86Å; D42-L45 VanDerWaalsContact OD2-CB 3.28Å; D42-L45 WeakPolarHBondContact OD2-CB 2.96Å; L45-S48 PolarHBondContact O-N 3.23Å; L45-S48 PolarHBondContact O-OG 3.48Å; L45-K49 HydrophobicContact CD1-CG 4.46Å; L45-K49 HydrophobicContact CG-CD 4.37Å; L45-K49 WeakPolarHBondContact O-CG 3.39Å; L45-K49 PolarHBondContact O-N 3.27Å
46	I	92.8	Very high	84.6	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-41.5	177.8	-64.1	-61.2	0	0	0	111.2	Y41 D42 T43 S48 K49 H50 L64 L66 V123 G126	Y41-I46 HydrophobicContact CD2-CG1 3.87Å; Y41-I46 HydrophobicContact CE2-CG1 4.06Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 2.99Å; T43-I46 PolarHBondContact O-N 3.34Å; I46-S48 PolarHBondContact O-N 3.11Å; I46-K49 HydrophobicContact CD1-CD 4.15Å; I46-K49 PolarHBondContact O-N 3.16Å; I46-H50 PolarHBondContact O-N 3.13Å; I46-L64 HydrophobicContact CG2-CD1 4.3Å; I46-L64 HydrophobicContact CG2-CD2 4.49Å; I46-L66 HydrophobicContact CD1-CB 4.13Å; I46-L66 HydrophobicContact CD1-CD1 3.67Å; I46-L66 HydrophobicContact CD1-CG 4.48Å; I46-L66 HydrophobicContact CG1-CD1 4.01Å; I46-V123 HydrophobicContact CG2-CG1 3.8Å; I46-G126 WeakPolarHBondContact CG2-O 3.04Å
47	H	88.8	Confident	83.5	Confident	61 Å²	61	59.5 Å²	59.5	28%	0.282	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-43.9	173.1	-169.8	103.9	0	0	0	111.1	T43 E44 K49 H50 Q51	T43-H47 VanDerWaalsContact O-CB 3.25Å; T43-H47 WeakPolarHBondContact O-CB 3.32Å; T43-H47 PolarHBondContact O-N 3.39Å; E44-H47 PolarHBondContact O-N 2.83Å; H47-K49 VanDerWaalsContact C-N 3.3Å; H47-K49 PolarHBondContact O-N 2.03Å; H47-H50 PolarHBondContact O-N 2.88Å; H47-Q51 VanDerWaalsContact CD2-CG 3.47Å; H47-Q51 WeakPolarHBondContact CD2-CG 3.36Å; H47-Q51 WeakPolarHBondContact NE2-CG 3.46Å; H47-Q51 PolarHBondContact NE2-NE2 3.01Å; H47-Q51 WeakPolarHBondContact O-CG 3.39Å; H47-Q51 PolarHBondContact O-N 2.69Å
48	S	87	Confident	82.4	Confident	43 Å²	43	60.5 Å²	60.5	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-31.7	177.2	84.6	0	0	0	0	113	E44 L45 I46 R52	E44-S48 WeakPolarHBondContact O-CB 3.21Å; E44-S48 PolarHBondContact O-N 2.85Å; L45-S48 PolarHBondContact O-N 3.23Å; L45-S48 PolarHBondContact O-OG 3.48Å; I46-S48 PolarHBondContact O-N 3.11Å; S48-R52 WeakPolarHBondContact O-CG 3.45Å; S48-R52 PolarHBondContact O-N 3.16Å; S48-R52 PolarHBondContact O-NE 2.9Å; S48-R52 PolarHBondContact OG-NH2 2.68Å
49	K	87.9	Confident	81.3	Confident	49 Å²	49	60.3 Å²	60.3	21%	0.213	30%	0.295	C	S	.	.	H	α-helix	trans	-71.1	-46.1	172.5	-74.1	170.8	172.4	177.2	0	110.3	L45 I46 H47 Q51 R52 A53 L64 H65	L45-K49 HydrophobicContact CD1-CG 4.46Å; L45-K49 HydrophobicContact CG-CD 4.37Å; L45-K49 WeakPolarHBondContact O-CG 3.39Å; L45-K49 PolarHBondContact O-N 3.27Å; I46-K49 HydrophobicContact CD1-CD 4.15Å; I46-K49 PolarHBondContact O-N 3.16Å; H47-K49 VanDerWaalsContact C-N 3.3Å; H47-K49 PolarHBondContact O-N 2.03Å; K49-Q51 PolarHBondContact O-N 2.8Å; K49-R52 CarbonylContact O-C 3.59Å; K49-R52 WeakPolarHBondContact O-CA 3.2Å; K49-R52 WeakPolarHBondContact O-CB 3.48Å; K49-R52 PolarHBondContact O-N 2.79Å; K49-A53 PolarHBondContact O-N 2.89Å; K49-L64 HydrophobicContact CB-CD1 3.41Å; K49-L64 VanDerWaalsContact CB-CD1 3.41Å; K49-L64 HydrophobicContact CD-CD1 4.19Å; K49-L64 HydrophobicContact CG-CD1 4.46Å; K49-H65 PolarHBondContact NZ-O 2.85Å
50	H	86.9	Confident	79.9	Confident	13 Å²	13	65 Å²	65	6%	0.06	32%	0.316	C	S	.	.	H	α-helix	trans	-56.9	-49.7	174	164.5	69.8	0	0	0	111.8	I46 H47 R52 A53 K54 S104 Y107 V123	I46-H50 PolarHBondContact O-N 3.13Å; H47-H50 PolarHBondContact O-N 2.88Å; H50-R52 PolarHBondContact O-N 3.4Å; H50-R52 VanDerWaalsContact O-N 3.16Å; H50-A53 PolarHBondContact O-N 2.87Å; H50-A53 VanDerWaalsContact O-N 3.16Å; H50-K54 VanDerWaalsContact O-CB 3.32Å; H50-K54 WeakPolarHBondContact O-CB 2.97Å; H50-K54 PolarHBondContact O-N 2.88Å; H50-S104 PolarHBondContact CE1-O 2.85Å; H50-Y107 AromaticContact ND1-CE2 3.7Å; H50-Y107 AromaticContact ND1-CZ 3.78Å; H50-Y107 PolarHBondContact ND1-OH 3.31Å; H50-V123 HydrophobicContact CB-CG1 4.49Å
51	Q	84.9	Confident	79	Confident	52 Å²	52	65.7 Å²	65.7	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-15.1	177.3	-63.3	-64	-6.4	0	0	113.5	H47 K49 R55	H47-Q51 VanDerWaalsContact CD2-CG 3.47Å; H47-Q51 WeakPolarHBondContact CD2-CG 3.36Å; H47-Q51 WeakPolarHBondContact NE2-CG 3.46Å; H47-Q51 PolarHBondContact NE2-NE2 3.01Å; H47-Q51 WeakPolarHBondContact O-CG 3.39Å; H47-Q51 PolarHBondContact O-N 2.69Å; K49-Q51 PolarHBondContact O-N 2.8Å; Q51-R55 PolarHBondContact O-NE 2.75Å; Q51-R55 PolarHBondContact O-NH2 2.9Å
52	R	83.8	Confident	78.3	Confident	120 Å²	120	66.2 Å²	66.2	45%	0.453	32%	0.318	S	S	.	.	H	α-helix	trans	-82	-55.4	165.9	-80.6	175.7	-83	-178.4	-7	110.4	S48 K49 H50 K54 R55 A56	S48-R52 WeakPolarHBondContact O-CG 3.45Å; S48-R52 PolarHBondContact O-N 3.16Å; S48-R52 PolarHBondContact O-NE 2.9Å; S48-R52 PolarHBondContact OG-NH2 2.68Å; K49-R52 CarbonylContact O-C 3.59Å; K49-R52 WeakPolarHBondContact O-CA 3.2Å; K49-R52 WeakPolarHBondContact O-CB 3.48Å; K49-R52 PolarHBondContact O-N 2.79Å; H50-R52 PolarHBondContact O-N 3.4Å; H50-R52 VanDerWaalsContact O-N 3.16Å; R52-K54 PolarHBondContact O-N 2.58Å; R52-K54 VanDerWaalsContact O-N 3.11Å; R52-R55 CarbonylContact O-C 3.59Å; R52-R55 WeakPolarHBondContact O-CA 3.44Å; R52-R55 PolarHBondContact O-N 3.45Å; R52-A56 WeakPolarHBondContact O-CB 3.41Å; R52-A56 PolarHBondContact O-N 3.47Å
53	A	81.6	Confident	77.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-27.2	179.2	0	0	0	0	0	115	K49 H50 D61 R81	K49-A53 PolarHBondContact O-N 2.89Å; H50-A53 PolarHBondContact O-N 2.87Å; H50-A53 VanDerWaalsContact O-N 3.16Å; A53-D61 WeakPolarHBondContact CA-O 3.29Å; A53-D61 WeakPolarHBondContact CB-O 3.1Å; A53-D61 PolarHBondContact N-O 3.01Å; A53-R81 PolarHBondContact O-NE 2.79Å; A53-R81 VanDerWaalsContact O-NE 3.13Å; A53-R81 PolarHBondContact O-NH2 3.46Å
54	K	78.1	Confident	77.8	Confident	77 Å²	77	60.9 Å²	60.9	34%	0.335	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-37.2	170.7	-179.4	170.8	172.3	167.5	0	113.4	H50 R52 R81 D102 S104	H50-K54 VanDerWaalsContact O-CB 3.32Å; H50-K54 WeakPolarHBondContact O-CB 2.97Å; H50-K54 PolarHBondContact O-N 2.88Å; R52-K54 PolarHBondContact O-N 2.58Å; R52-K54 VanDerWaalsContact O-N 3.11Å; K54-R81 PolarHBondContact O-NH2 3.12Å; K54-R81 VanDerWaalsContact O-NH2 3.12Å; K54-D102 WeakPolarHBondContact CE-OD2 3.47Å; K54-D102 IonicContact NZ-OD2 3.47Å; K54-D102 PolarHBondContact NZ-OD2 3.48Å; K54-S104 WeakPolarHBondContact CD-OG 3.44Å
55	R	76.6	Confident	77.7	Confident	184 Å²	184	55.9 Å²	55.9	69%	0.694	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-2	-178.1	-67.9	179.7	-70.3	176.9	-1.1	113.9	Q51 R52 I57	Q51-R55 PolarHBondContact O-NE 2.75Å; Q51-R55 PolarHBondContact O-NH2 2.9Å; R52-R55 CarbonylContact O-C 3.59Å; R52-R55 WeakPolarHBondContact O-CA 3.44Å; R52-R55 PolarHBondContact O-N 3.45Å; R55-I57 PolarHBondContact O-N 2.65Å
56	A	68.1	Low	77.8	Confident	17 Å²	17	52.6 Å²	52.6	14%	0.14	25%	0.247	C	C	.	.			trans	-66.6	119.8	-172.6	0	0	0	0	0	112.6	R52 D61 K62	R52-A56 WeakPolarHBondContact O-CB 3.41Å; R52-A56 PolarHBondContact O-N 3.47Å; A56-D61 HydrophobicContact CB-CB 3.55Å; A56-K62 HydrophobicContact CB-CG 3.67Å; A56-K62 WeakPolarHBondContact O-CE 3.36Å
57	I	56.4	Low	77.8	Confident	138 Å²	138	55.4 Å²	55.4	71%	0.708	26%	0.262	S	S	*	.			trans	-83.9	-45.8	168.5	-57	174.5	0	0	0	109.3	R55 K62 Q482	R55-I57 PolarHBondContact O-N 2.65Å; I57-K62 WeakPolarHBondContact O-CE 3.37Å; I57-K62 PolarHBondContact O-NZ 2.73Å; I57-Q482 PolarHBondContact O-OE1 2.67Å
58	S	54.8	Low	77.8	Confident	32 Å²	32	53.1 Å²	53.1	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-60	152.8	171.8	-179.6	0	0	0	0	112.5	D61 K62	S58-D61 WeakPolarHBondContact CB-OD2 3.39Å; S58-K62 WeakPolarHBondContact O-CE 3.41Å; S58-K62 WeakPolarHBondContact O-CG 3.26Å
59	H	55.6	Low	77.5	Confident	6 Å²	6	56 Å²	56	3%	0.028	26%	0.259	C	S	.	.	S	Bend	trans	-79.7	-41.1	-178	-158.9	-72.2	0	0	0	113.1	D61 K62 F63 K80 G465 N466 Q482	H59-D61 VanDerWaalsContact C-N 3.25Å; H59-D61 PolarHBondContact O-N 3.42Å; H59-K62 WeakPolarHBondContact O-CB 3.33Å; H59-K62 PolarHBondContact O-N 2.99Å; H59-F63 AromaticContact CE1-CE2 3.37Å; H59-F63 WeakPolarHBondContact CE1-CE2 3.42Å; H59-F63 AromaticContact CE1-CZ 3.62Å; H59-F63 AromaticContact ND1-CE2 3.39Å; H59-F63 WeakPolarHBondContact ND1-CE2 3.28Å; H59-K80 PolarHBondContact NE2-NZ 2.78Å; H59-G465 PolarHBondContact CD2-O 2.97Å; H59-G465 PolarHBondContact NE2-O 2.03Å; H59-N466 PolarHBondContact CE1-O 3.41Å; H59-N466 PolarHBondContact NE2-O 3.08Å; H59-N466 VanDerWaalsContact NE2-O 3.08Å; H59-Q482 HydrophobicContact CB-CB 3.44Å; H59-Q482 VanDerWaalsContact CB-CB 3.44Å; H59-Q482 HydrophobicContact CB-CG 3.79Å; H59-Q482 PolarHBondContact CD2-OE1 3.02Å
60	E	57.2	Low	77.1	Confident	102 Å²	102	53.7 Å²	53.7	48%	0.477	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.8	-40.2	-179.2	-64.8	174.8	160.6	0	0	110.7	K62 F63 R484	E60-K62 VanDerWaalsContact C-N 3.25Å; E60-K62 PolarHBondContact O-N 3.41Å; E60-F63 PolarHBondContact O-N 3.12Å; E60-R484 WeakPolarHBondContact OE1-CD 3.32Å; E60-R484 IonicContact OE2-CZ 2.81Å; E60-R484 IonicContact OE2-NE 3.13Å; E60-R484 IonicContact OE2-NH1 3.87Å; E60-R484 PolarHBondContact OE2-NH1 2.98Å
61	D	65.1	Low	76.5	Confident	82 Å²	82	53.4 Å²	53.4	44%	0.439	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-69.2	-13.3	175.7	-67.2	-66.6	0	0	0	114.4	A53 A56 S58 H59 F63	A53-D61 WeakPolarHBondContact CA-O 3.29Å; A53-D61 WeakPolarHBondContact CB-O 3.1Å; A53-D61 PolarHBondContact N-O 3.01Å; A56-D61 HydrophobicContact CB-CB 3.55Å; S58-D61 WeakPolarHBondContact CB-OD2 3.39Å; H59-D61 VanDerWaalsContact C-N 3.25Å; H59-D61 PolarHBondContact O-N 3.42Å; D61-F63 VanDerWaalsContact C-N 3.31Å
62	K	74.2	Confident	75.7	Confident	44 Å²	44	51 Å²	51	19%	0.191	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-78.9	-13.4	177.8	-71.3	166	-165.6	162.5	0	113.1	A56 I57 S58 H59 E60	A56-K62 HydrophobicContact CB-CG 3.67Å; A56-K62 WeakPolarHBondContact O-CE 3.36Å; I57-K62 WeakPolarHBondContact O-CE 3.37Å; I57-K62 PolarHBondContact O-NZ 2.73Å; S58-K62 WeakPolarHBondContact O-CE 3.41Å; S58-K62 WeakPolarHBondContact O-CG 3.26Å; H59-K62 WeakPolarHBondContact O-CB 3.33Å; H59-K62 PolarHBondContact O-N 2.99Å; E60-K62 VanDerWaalsContact C-N 3.25Å; E60-K62 PolarHBondContact O-N 3.41Å
63	F	82.8	Confident	75.4	Confident	19 Å²	19	46 Å²	46	8%	0.083	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.9	176.7	-71.9	-70.8	0	0	0	112	H59 E60 D61 R78 M79 K80 L468	H59-F63 AromaticContact CE1-CE2 3.37Å; H59-F63 WeakPolarHBondContact CE1-CE2 3.42Å; H59-F63 AromaticContact CE1-CZ 3.62Å; H59-F63 AromaticContact ND1-CE2 3.39Å; H59-F63 WeakPolarHBondContact ND1-CE2 3.28Å; E60-F63 PolarHBondContact O-N 3.12Å; D61-F63 VanDerWaalsContact C-N 3.31Å; F63-R78 HydrophobicContact CD1-CG 3.85Å; F63-R78 HydrophobicContact CE1-CG 4.26Å; F63-R78 VanDerWaalsContact CE2-NH2 3.25Å; F63-R78 HydrophobicContact CG-CG 4.37Å; F63-M79 CarbonylContact C-O 3.57Å; F63-M79 WeakPolarHBondContact CA-O 3.2Å; F63-K80 HydrophobicContact CD1-CB 4.12Å; F63-K80 HydrophobicContact CE1-CB 3.98Å; F63-K80 HydrophobicContact CE1-CD 4.23Å; F63-K80 HydrophobicContact CZ-CD 4.46Å; F63-L468 HydrophobicContact CE1-CD2 3.7Å; F63-L468 HydrophobicContact CE1-CG 3.99Å; F63-L468 HydrophobicContact CZ-CD2 4.3Å; F63-L468 HydrophobicContact CZ-CG 4.42Å
64	L	88.8	Confident	75.4	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.9	165.3	-176.2	58.2	0	0	0	108.6	I46 K49 M79 Y107 V123	I46-L64 HydrophobicContact CG2-CD1 4.3Å; I46-L64 HydrophobicContact CG2-CD2 4.49Å; K49-L64 HydrophobicContact CB-CD1 3.41Å; K49-L64 VanDerWaalsContact CB-CD1 3.41Å; K49-L64 HydrophobicContact CD-CD1 4.19Å; K49-L64 HydrophobicContact CG-CD1 4.46Å; L64-M79 HydrophobicContact CD2-CE 4.47Å; L64-M79 HydrophobicContact CG-CE 4.48Å; L64-M79 PolarHBondContact N-O 2.79Å; L64-M79 PolarHBondContact O-N 2.97Å; L64-Y107 HydrophobicContact CB-CD1 4.01Å; L64-Y107 HydrophobicContact CB-CE1 3.51Å; L64-Y107 HydrophobicContact CD2-CD1 4.25Å; L64-Y107 HydrophobicContact CD2-CD2 4.2Å; L64-Y107 HydrophobicContact CD2-CE1 3.87Å; L64-Y107 HydrophobicContact CD2-CE2 3.82Å; L64-Y107 HydrophobicContact CD2-CG 4.42Å; L64-Y107 HydrophobicContact CG-CE1 4.35Å; L64-V123 HydrophobicContact CD2-CB 4.11Å; L64-V123 HydrophobicContact CD2-CG1 4.11Å; L64-V123 HydrophobicContact CD2-CG2 3.61Å
65	H	90.3	Very high	75.9	Confident	58 Å²	58	45.5 Å²	45.5	27%	0.269	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.1	170.6	-74.7	-91.5	0	0	0	110.4	K49 L77	K49-H65 PolarHBondContact NZ-O 2.85Å; H65-L77 WeakPolarHBondContact CA-O 3.38Å
66	L	93	Very high	76.6	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.7	176.6	168.6	57.5	0	0	0	109.1	Y41 I46 F68 L77 M79 F128	Y41-L66 HydrophobicContact CD1-CD1 3.9Å; Y41-L66 HydrophobicContact CD2-CD1 3.8Å; Y41-L66 HydrophobicContact CE1-CD1 3.94Å; Y41-L66 HydrophobicContact CE1-CD2 4.46Å; Y41-L66 HydrophobicContact CE2-CD1 3.84Å; Y41-L66 HydrophobicContact CG-CD1 3.85Å; I46-L66 HydrophobicContact CD1-CB 4.13Å; I46-L66 HydrophobicContact CD1-CD1 3.67Å; I46-L66 HydrophobicContact CD1-CG 4.48Å; I46-L66 HydrophobicContact CG1-CD1 4.01Å; L66-F68 HydrophobicContact CD1-CD1 4.09Å; L66-F68 HydrophobicContact CD2-CD1 4.44Å; L66-F68 HydrophobicContact CD2-CE1 4.21Å; L66-F68 HydrophobicContact CG-CD1 3.92Å; L66-F68 HydrophobicContact CG-CE1 4.06Å; L66-L77 HydrophobicContact CB-CB 4.39Å; L66-L77 HydrophobicContact CD2-CD1 4.26Å; L66-L77 PolarHBondContact N-O 3.19Å; L66-L77 VanDerWaalsContact N-O 3.08Å; L66-L77 PolarHBondContact O-N 3.41Å; L66-M79 HydrophobicContact CB-CE 3.94Å; L66-M79 HydrophobicContact CD2-CE 4.17Å; L66-F128 HydrophobicContact CD2-CB 3.66Å; L66-F128 HydrophobicContact CD2-CD1 4.36Å; L66-F128 HydrophobicContact CD2-CD2 4.48Å; L66-F128 HydrophobicContact CD2-CG 3.94Å
67	D	91.1	Very high	77.7	Confident	65 Å²	65	37.8 Å²	37.8	35%	0.348	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.1	-176	-67.8	-88	0	0	0	109.8	H74 F75 N76	D67-H74 IonicContact OD1-CE1 2.58Å; D67-F75 WeakPolarHBondContact CA-O 3.43Å; D67-N76 WeakPolarHBondContact OD1-CB 3.26Å; D67-N76 VanDerWaalsContact OD1-CG 3.26Å; D67-N76 PolarHBondContact OD1-ND2 2.8Å
68	F	89.6	Confident	79.2	Confident	13 Å²	13	32.2 Å²	32.2	6%	0.057	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	169.9	174.5	60.2	-93.4	0	0	0	112.2	L39 Y41 L66 A70 F75 L77 I132 I159	L39-F68 HydrophobicContact CD1-CB 3.83Å; L39-F68 HydrophobicContact CD1-CD2 3.49Å; L39-F68 VanDerWaalsContact CD1-CD2 3.49Å; L39-F68 HydrophobicContact CD1-CE2 4.15Å; L39-F68 HydrophobicContact CD1-CG 3.72Å; L39-F68 HydrophobicContact CD2-CD2 4.24Å; L39-F68 HydrophobicContact CD2-CE2 4.12Å; L39-F68 HydrophobicContact CD2-CZ 4.29Å; Y41-F68 HydrophobicContact CD1-CB 4.26Å; Y41-F68 HydrophobicContact CD1-CD1 4.4Å; L66-F68 HydrophobicContact CD1-CD1 4.09Å; L66-F68 HydrophobicContact CD2-CD1 4.44Å; L66-F68 HydrophobicContact CD2-CE1 4.21Å; L66-F68 HydrophobicContact CG-CD1 3.92Å; L66-F68 HydrophobicContact CG-CE1 4.06Å; F68-A70 HydrophobicContact CD2-CB 4.15Å; F68-A70 HydrophobicContact CE2-CB 4.18Å; F68-F75 HydrophobicContact CD1-CB 4.43Å; F68-F75 HydrophobicContact CD2-CB 4.13Å; F68-F75 AromaticContact CD2-CD2 3.98Å; F68-F75 HydrophobicContact CD2-CD2 3.98Å; F68-F75 HydrophobicContact CD2-CG 4.38Å; F68-F75 HydrophobicContact CE1-CB 4.1Å; F68-F75 HydrophobicContact CE2-CB 3.78Å; F68-F75 AromaticContact CE2-CD2 3.47Å; F68-F75 HydrophobicContact CE2-CD2 3.47Å; F68-F75 VanDerWaalsContact CE2-CD2 3.47Å; F68-F75 HydrophobicContact CE2-CE2 4.18Å; F68-F75 AromaticContact CE2-CG 3.73Å; F68-F75 HydrophobicContact CE2-CG 3.73Å; F68-F75 HydrophobicContact CG-CB 4.45Å; F68-F75 HydrophobicContact CZ-CB 3.76Å; F68-F75 HydrophobicContact CZ-CD2 4.16Å; F68-F75 AromaticContact CZ-CG 3.94Å; F68-F75 HydrophobicContact CZ-CG 3.94Å; F68-F75 PolarHBondContact N-O 3.12Å; F68-F75 PolarHBondContact O-N 3.01Å; F68-L77 HydrophobicContact CE1-CD1 3.96Å; F68-L77 HydrophobicContact CE1-CG 4.37Å; F68-L77 HydrophobicContact CZ-CD1 4.43Å; F68-I132 HydrophobicContact CZ-CD1 3.76Å; F68-I159 HydrophobicContact CE2-CD1 3.75Å; F68-I159 HydrophobicContact CZ-CD1 4.22Å
69	H	81.2	Confident	81	Confident	102 Å²	102	30.7 Å²	30.7	47%	0.472	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.8	172.7	-169.5	99.9	0	0	0	110.1	G72 R73	H69-G72 VanDerWaalsContact CE1-C 3.43Å; H69-G72 WeakPolarHBondContact NE2-CA 3.04Å; H69-R73 CarbonylContact C-O 3.6Å; H69-R73 WeakPolarHBondContact CA-O 3.45Å; H69-R73 PolarHBondContact ND1-O 2.67Å; H69-R73 PolarHBondContact NE2-N 3.37Å
70	A	79.6	Confident	82.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	153.8	176.8	0	0	0	0	0	111.1	E37 F68 G72 R73 F75 I159	E37-A70 WeakPolarHBondContact OE2-CA 3.12Å; E37-A70 WeakPolarHBondContact OE2-CB 3.38Å; F68-A70 HydrophobicContact CD2-CB 4.15Å; F68-A70 HydrophobicContact CE2-CB 4.18Å; A70-G72 PolarHBondContact O-N 2.99Å; A70-R73 PolarHBondContact N-O 3.35Å; A70-R73 CarbonylContact O-C 2.98Å; A70-R73 WeakPolarHBondContact O-CA 2.95Å; A70-R73 WeakPolarHBondContact O-CB 3.23Å; A70-R73 PolarHBondContact O-N 2.01Å; A70-F75 HydrophobicContact CB-CD2 4.48Å; A70-F75 HydrophobicContact CB-CE2 4.18Å; A70-I159 HydrophobicContact CB-CD1 3.96Å; A70-I159 HydrophobicContact CB-CG2 3.65Å
71	H	73.1	Confident	83.7	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.032	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.9	179.4	-71.4	-114.6	0	0	0	112.3	E37 R73 Y139 I159 D164	E37-H71 WeakPolarHBondContact OE1-CA 3.37Å; E37-H71 PolarHBondContact OE1-N 2.8Å; E37-H71 VanDerWaalsContact OE1-N 3.14Å; E37-H71 IonicContact OE2-CD2 2.64Å; E37-H71 PolarHBondContact OE2-N 2.83Å; H71-R73 PolarHBondContact O-N 3.43Å; H71-Y139 HydrophobicContact CB-CE1 3.88Å; H71-Y139 AromaticContact CG-CE1 3.9Å; H71-I159 PolarHBondContact NE2-O 3.36Å; H71-D164 IonicContact CE1-OD2 3.07Å; H71-D164 PolarHBondContact CE1-OD2 3.37Å
72	G	68.6	Low	84.5	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	10.7	-173.7	0	0	0	0	0	115.2	H69 A70 S532 E533	H69-G72 VanDerWaalsContact CE1-C 3.43Å; H69-G72 WeakPolarHBondContact NE2-CA 3.04Å; A70-G72 PolarHBondContact O-N 2.99Å; G72-S532 CarbonylContact O-C 3.42Å; G72-S532 VanDerWaalsContact O-CA 3.3Å; G72-S532 WeakPolarHBondContact O-CA 3.28Å; G72-S532 WeakPolarHBondContact O-CB 3.39Å; G72-S532 PolarHBondContact O-OG 2.04Å; G72-E533 PolarHBondContact O-N 3.02Å
73	R	77.4	Confident	84.5	Confident	15 Å²	15	29.7 Å²	29.7	6%	0.057	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.5	-172.2	176.8	178.8	-179	-177.6	2.7	112	H69 A70 H71 F75 E114 S134	H69-R73 CarbonylContact C-O 3.6Å; H69-R73 WeakPolarHBondContact CA-O 3.45Å; H69-R73 PolarHBondContact ND1-O 2.67Å; H69-R73 PolarHBondContact NE2-N 3.37Å; A70-R73 PolarHBondContact N-O 3.35Å; A70-R73 CarbonylContact O-C 2.98Å; A70-R73 WeakPolarHBondContact O-CA 2.95Å; A70-R73 WeakPolarHBondContact O-CB 3.23Å; A70-R73 PolarHBondContact O-N 2.01Å; H71-R73 PolarHBondContact O-N 3.43Å; R73-F75 HydrophobicContact CB-CE2 4.13Å; R73-F75 HydrophobicContact CG-CD2 4.45Å; R73-F75 HydrophobicContact CG-CE2 4.14Å; R73-F75 HydrophobicContact CG-CZ 4.36Å; R73-E114 IonicContact CZ-OE1 2.68Å; R73-E114 IonicContact NH2-OE1 2.87Å; R73-E114 PolarHBondContact NH2-OE1 2.84Å; R73-E114 IonicContact NH2-OE2 2.66Å; R73-E114 PolarHBondContact NH2-OE2 3.44Å; R73-S134 PolarHBondContact NH1-OG 3.33Å
74	H	81.8	Confident	84.1	Confident	67 Å²	67	31.3 Å²	31.3	31%	0.31	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.4	167.2	-170.5	-81.1	0	0	0	111.1	D67	D67-H74 IonicContact OD1-CE1 2.58Å
75	F	88.7	Confident	83.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.9	172.9	-67	-94.5	0	0	0	109.6	D67 F68 A70 R73 I111 I132 Y139	D67-F75 WeakPolarHBondContact CA-O 3.43Å; F68-F75 HydrophobicContact CD1-CB 4.43Å; F68-F75 HydrophobicContact CD2-CB 4.13Å; F68-F75 AromaticContact CD2-CD2 3.98Å; F68-F75 HydrophobicContact CD2-CD2 3.98Å; F68-F75 HydrophobicContact CD2-CG 4.38Å; F68-F75 HydrophobicContact CE1-CB 4.1Å; F68-F75 HydrophobicContact CE2-CB 3.78Å; F68-F75 AromaticContact CE2-CD2 3.47Å; F68-F75 HydrophobicContact CE2-CD2 3.47Å; F68-F75 VanDerWaalsContact CE2-CD2 3.47Å; F68-F75 HydrophobicContact CE2-CE2 4.18Å; F68-F75 AromaticContact CE2-CG 3.73Å; F68-F75 HydrophobicContact CE2-CG 3.73Å; F68-F75 HydrophobicContact CG-CB 4.45Å; F68-F75 HydrophobicContact CZ-CB 3.76Å; F68-F75 HydrophobicContact CZ-CD2 4.16Å; F68-F75 AromaticContact CZ-CG 3.94Å; F68-F75 HydrophobicContact CZ-CG 3.94Å; F68-F75 PolarHBondContact N-O 3.12Å; F68-F75 PolarHBondContact O-N 3.01Å; A70-F75 HydrophobicContact CB-CD2 4.48Å; A70-F75 HydrophobicContact CB-CE2 4.18Å; R73-F75 HydrophobicContact CB-CE2 4.13Å; R73-F75 HydrophobicContact CG-CD2 4.45Å; R73-F75 HydrophobicContact CG-CE2 4.14Å; R73-F75 HydrophobicContact CG-CZ 4.36Å; F75-I111 HydrophobicContact CD1-CD1 4.35Å; F75-I132 HydrophobicContact CD1-CD1 4.46Å; F75-I132 HydrophobicContact CD1-CG2 4.16Å; F75-I132 HydrophobicContact CE1-CG2 4.14Å; F75-Y139 AromaticContact CE1-CD2 3.74Å; F75-Y139 HydrophobicContact CE1-CD2 3.74Å; F75-Y139 AromaticContact CE1-CE2 3.87Å; F75-Y139 HydrophobicContact CE1-CE2 3.87Å; F75-Y139 HydrophobicContact CE1-CG 4.23Å; F75-Y139 HydrophobicContact CZ-CD1 4.02Å; F75-Y139 AromaticContact CZ-CD2 3.69Å; F75-Y139 HydrophobicContact CZ-CD2 3.69Å; F75-Y139 AromaticContact CZ-CE1 3.99Å; F75-Y139 HydrophobicContact CZ-CE1 3.99Å; F75-Y139 AromaticContact CZ-CE2 3.66Å; F75-Y139 HydrophobicContact CZ-CE2 3.66Å; F75-Y139 AromaticContact CZ-CG 3.88Å; F75-Y139 HydrophobicContact CZ-CG 3.88Å; F75-Y139 AromaticContact CZ-CZ 3.8Å
76	N	90.5	Very high	82.9	Confident	39 Å²	39	29 Å²	29	21%	0.209	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	106	165	178.9	-59.1	0	0	0	106.6	D67 I111 Y112	D67-N76 WeakPolarHBondContact OD1-CB 3.26Å; D67-N76 VanDerWaalsContact OD1-CG 3.26Å; D67-N76 PolarHBondContact OD1-ND2 2.8Å; N76-I111 CarbonylContact O-C 3.4Å; N76-I111 WeakPolarHBondContact O-CA 2.92Å; N76-Y112 PolarHBondContact O-N 3.31Å; N76-Y112 WeakPolarHBondContact OD1-CB 3.34Å
77	L	92.3	Very high	81.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.7	179.8	-55	-176.4	0	0	0	109	H65 L66 F68 M79 I111 T119 F128 I132	H65-L77 WeakPolarHBondContact CA-O 3.38Å; L66-L77 HydrophobicContact CB-CB 4.39Å; L66-L77 HydrophobicContact CD2-CD1 4.26Å; L66-L77 PolarHBondContact N-O 3.19Å; L66-L77 VanDerWaalsContact N-O 3.08Å; L66-L77 PolarHBondContact O-N 3.41Å; F68-L77 HydrophobicContact CE1-CD1 3.96Å; F68-L77 HydrophobicContact CE1-CG 4.37Å; F68-L77 HydrophobicContact CZ-CD1 4.43Å; L77-M79 HydrophobicContact CB-CE 4.09Å; L77-M79 HydrophobicContact CB-CG 4.15Å; L77-M79 HydrophobicContact CB-SD 4.23Å; L77-M79 HydrophobicContact CD1-CE 4.37Å; L77-M79 HydrophobicContact CD1-SD 4.33Å; L77-I111 HydrophobicContact CD2-CG1 3.98Å; L77-T119 HydrophobicContact CB-CG2 4.41Å; L77-T119 HydrophobicContact CD2-CG2 4.22Å; L77-F128 HydrophobicContact CD1-CE1 4.46Å; L77-I132 HydrophobicContact CD1-CD1 3.76Å; L77-I132 HydrophobicContact CD1-CG1 4.03Å; L77-I132 HydrophobicContact CD2-CD1 4.22Å; L77-I132 HydrophobicContact CD2-CG1 4.26Å; L77-I132 HydrophobicContact CD2-CG2 3.89Å
78	R	88.8	Confident	80.5	Confident	21 Å²	21	33.7 Å²	33.7	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	101	173.6	177.4	177.7	-179.1	-129.2	-0.4	108.4	F63 G109 E110 Y112 G467 S510	F63-R78 HydrophobicContact CD1-CG 3.85Å; F63-R78 HydrophobicContact CE1-CG 4.26Å; F63-R78 VanDerWaalsContact CE2-NH2 3.25Å; F63-R78 HydrophobicContact CG-CG 4.37Å; R78-G109 WeakPolarHBondContact O-CA 3.21Å; R78-E110 PolarHBondContact N-O 3.13Å; R78-E110 IonicContact NH1-OE1 3.66Å; R78-E110 PolarHBondContact NH1-OE1 3.49Å; R78-E110 PolarHBondContact O-N 2.81Å; R78-Y112 HydrophobicContact CB-CD2 4.38Å; R78-G467 PolarHBondContact NH1-O 3.44Å; R78-G467 PolarHBondContact NH2-O 3.38Å; R78-S510 PolarHBondContact NH1-O 2.97Å
79	M	90.9	Very high	79.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.1	-171.5	-60.4	-179.1	-70.2	0	0	112.4	F63 L64 L66 L77 Y107 T119 F128	F63-M79 CarbonylContact C-O 3.57Å; F63-M79 WeakPolarHBondContact CA-O 3.2Å; L64-M79 HydrophobicContact CD2-CE 4.47Å; L64-M79 HydrophobicContact CG-CE 4.48Å; L64-M79 PolarHBondContact N-O 2.79Å; L64-M79 PolarHBondContact O-N 2.97Å; L66-M79 HydrophobicContact CB-CE 3.94Å; L66-M79 HydrophobicContact CD2-CE 4.17Å; L77-M79 HydrophobicContact CB-CE 4.09Å; L77-M79 HydrophobicContact CB-CG 4.15Å; L77-M79 HydrophobicContact CB-SD 4.23Å; L77-M79 HydrophobicContact CD1-CE 4.37Å; L77-M79 HydrophobicContact CD1-SD 4.33Å; M79-Y107 HydrophobicContact CB-CD1 3.97Å; M79-Y107 HydrophobicContact CB-CG 4.41Å; M79-T119 HydrophobicContact CG-CG2 3.69Å; M79-T119 HydrophobicContact SD-CG2 4.07Å; M79-F128 HydrophobicContact CE-CD2 4.12Å; M79-F128 HydrophobicContact CE-CE2 4.17Å; M79-F128 HydrophobicContact SD-CD2 4.16Å; M79-F128 HydrophobicContact SD-CE2 3.61Å; M79-F128 HydrophobicContact SD-CZ 4.28Å
80	K	85.9	Confident	78.9	Confident	37 Å²	37	34.5 Å²	34.5	16%	0.161	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.2	172.7	-173.2	167.2	176.3	175.6	0	109.8	H59 F63 D82 Y107 T108 N466	H59-K80 PolarHBondContact NE2-NZ 2.78Å; F63-K80 HydrophobicContact CD1-CB 4.12Å; F63-K80 HydrophobicContact CE1-CB 3.98Å; F63-K80 HydrophobicContact CE1-CD 4.23Å; F63-K80 HydrophobicContact CZ-CD 4.46Å; K80-D82 PolarHBondContact O-N 3.09Å; K80-Y107 CarbonylContact O-C 3.59Å; K80-Y107 VanDerWaalsContact O-CA 3.29Å; K80-Y107 WeakPolarHBondContact O-CA 3.35Å; K80-Y107 WeakPolarHBondContact O-CD1 3.47Å; K80-T108 PolarHBondContact N-O 3.36Å; K80-T108 PolarHBondContact O-N 3.08Å; K80-T108 VanDerWaalsContact O-O 3.04Å; K80-N466 WeakPolarHBondContact CD-O 3.42Å; K80-N466 VanDerWaalsContact NZ-C 3.33Å; K80-N466 PolarHBondContact NZ-O 2.72Å
81	R	84.9	Confident	78.4	Confident	73 Å²	73	38.7 Å²	38.7	28%	0.275	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130	177.4	-65.7	-171.9	-78.1	138.2	-15.2	110.4	A53 K54 S104 I106 Y107	A53-R81 PolarHBondContact O-NE 2.79Å; A53-R81 VanDerWaalsContact O-NE 3.13Å; A53-R81 PolarHBondContact O-NH2 3.46Å; K54-R81 PolarHBondContact O-NH2 3.12Å; K54-R81 VanDerWaalsContact O-NH2 3.12Å; R81-S104 WeakPolarHBondContact CD-O 3.44Å; R81-S104 WeakPolarHBondContact CG-O 3.3Å; R81-I106 VanDerWaalsContact CA-O 3.27Å; R81-I106 WeakPolarHBondContact CA-O 3.28Å; R81-Y107 HydrophobicContact CG-CD1 4.31Å; R81-Y107 HydrophobicContact CG-CE1 3.69Å; R81-Y107 HydrophobicContact CG-CE2 4.39Å
82	D	81.5	Confident	78.2	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.048	20%	0.203	C	C	.	.			trans	-75.7	130.4	178.4	-161.8	-58.8	0	0	0	110.5	K80 T84 L85 I106 T108	K80-D82 PolarHBondContact O-N 3.09Å; D82-T84 PolarHBondContact OD1-N 2.56Å; D82-T84 PolarHBondContact OD1-OG1 3.14Å; D82-L85 WeakPolarHBondContact OD1-CB 3.33Å; D82-L85 PolarHBondContact OD1-N 2.96Å; D82-I106 HydrophobicContact CB-CG2 3.93Å; D82-I106 PolarHBondContact N-O 3.03Å; D82-T108 WeakPolarHBondContact OD2-CB 3.26Å; D82-T108 PolarHBondContact OD2-OG1 2.93Å
83	T	74.3	Confident	78.4	Confident	94 Å²	94	39.1 Å²	39.1	58%	0.577	21%	0.206	S	C	*	.			trans	-132.4	16.5	177	65.7	0	0	0	0	112.3
84	T	73.7	Confident	78	Confident	54 Å²	54	39.7 Å²	39.7	33%	0.331	21%	0.211	S	C	.	.	S	Bend	trans	-109.8	-34.2	179	58.5	0	0	0	0	111.5	D82 F86 I463	D82-T84 PolarHBondContact OD1-N 2.56Å; D82-T84 PolarHBondContact OD1-OG1 3.14Å; T84-F86 VanDerWaalsContact C-N 3.31Å; T84-F86 PolarHBondContact O-N 2.8Å; T84-I463 HydrophobicContact CG2-CD1 4.09Å
85	L	78.5	Confident	77.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.211	C	C	.	.	S	Bend	trans	-68.6	-31	176.3	-154.6	74.3	0	0	0	112.9	D82 S251 V254 K255 M275 V276	D82-L85 WeakPolarHBondContact OD1-CB 3.33Å; D82-L85 PolarHBondContact OD1-N 2.96Å; L85-S251 WeakPolarHBondContact CD2-OG 3.45Å; L85-V254 HydrophobicContact CD1-CB 4.06Å; L85-V254 HydrophobicContact CD1-CG1 3.65Å; L85-V254 HydrophobicContact CD2-CB 4.46Å; L85-V254 HydrophobicContact CG-CB 4.48Å; L85-V254 HydrophobicContact CG-CG1 4.31Å; L85-K255 HydrophobicContact CD1-CB 4.4Å; L85-K255 HydrophobicContact CD1-CD 4.23Å; L85-M275 WeakPolarHBondContact O-CA 3.27Å; L85-V276 PolarHBondContact O-N 3.16Å
86	F	75.6	Confident	76.7	Confident	10 Å²	10	41 Å²	41	4%	0.044	24%	0.235	C	C	.	.	S	Bend	trans	-123.3	113.5	-176.8	-62.9	-55.3	0	0	0	109.9	T84 L90 T103 I106 V276 I279	T84-F86 VanDerWaalsContact C-N 3.31Å; T84-F86 PolarHBondContact O-N 2.8Å; F86-L90 HydrophobicContact CB-CD2 3.96Å; F86-L90 HydrophobicContact CD1-CD1 4.35Å; F86-L90 HydrophobicContact CD1-CD2 3.66Å; F86-L90 HydrophobicContact CE1-CD2 4.44Å; F86-L90 HydrophobicContact CG-CD2 3.93Å; F86-T103 HydrophobicContact CB-CG2 4.43Å; F86-T103 HydrophobicContact CD2-CG2 3.99Å; F86-T103 HydrophobicContact CG-CG2 4.19Å; F86-I106 HydrophobicContact CE2-CG1 4.13Å; F86-I106 HydrophobicContact CE2-CG2 4.32Å; F86-V276 HydrophobicContact CD1-CB 3.99Å; F86-V276 HydrophobicContact CE1-CB 3.85Å; F86-V276 HydrophobicContact CE1-CG1 4.48Å; F86-V276 HydrophobicContact CE1-CG2 4Å; F86-I279 HydrophobicContact CE1-CD1 3.91Å
87	P	70.6	Confident	75.8	Confident	17 Å²	17	46.1 Å²	46.1	11%	0.11	26%	0.258	C	S	.	.			trans	-75.5	161.2	180	34.8	-36	0	0	0	111	D89 L90 M275 V276	P87-D89 WeakPolarHBondContact CB-OD1 3.34Å; P87-D89 WeakPolarHBondContact CG-OD1 3.06Å; P87-D89 PolarHBondContact O-N 3.03Å; P87-D89 VanDerWaalsContact O-N 3.08Å; P87-L90 WeakPolarHBondContact O-CB 2.94Å; P87-L90 PolarHBondContact O-N 3.35Å; P87-M275 HydrophobicContact CB-SD 4.44Å; P87-M275 HydrophobicContact CG-SD 4.49Å; P87-V276 WeakPolarHBondContact CD-O 3.36Å
88	P	63.6	Low	74.9	Confident	147 Å²	147	51.8 Å²	51.8	96%	0.955	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.1	-178.4	-24.7	35.4	0	0	0	115.3
89	D	64.8	Low	73.7	Confident	99 Å²	99	52.8 Å²	52.8	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	14.7	175.7	68.5	-40.2	0	0	0	113.7	P87 K91	P87-D89 WeakPolarHBondContact CB-OD1 3.34Å; P87-D89 WeakPolarHBondContact CG-OD1 3.06Å; P87-D89 PolarHBondContact O-N 3.03Å; P87-D89 VanDerWaalsContact O-N 3.08Å; D89-K91 PolarHBondContact O-N 3.05Å
90	L	71.8	Confident	72.3	Confident	33 Å²	33	59 Å²	59	17%	0.173	33%	0.332	C	S	.	.			trans	-50.7	121.6	175.4	171.1	65.5	0	0	0	111.5	F86 P87 I92 T103 V276 I279	F86-L90 HydrophobicContact CB-CD2 3.96Å; F86-L90 HydrophobicContact CD1-CD1 4.35Å; F86-L90 HydrophobicContact CD1-CD2 3.66Å; F86-L90 HydrophobicContact CE1-CD2 4.44Å; F86-L90 HydrophobicContact CG-CD2 3.93Å; P87-L90 WeakPolarHBondContact O-CB 2.94Å; P87-L90 PolarHBondContact O-N 3.35Å; L90-I92 HydrophobicContact CD1-CG1 4.36Å; L90-I92 HydrophobicContact CD2-CD1 3.98Å; L90-I92 HydrophobicContact CD2-CG1 4Å; L90-I92 HydrophobicContact CG-CG1 3.98Å; L90-T103 HydrophobicContact CD2-CG2 3.91Å; L90-V276 WeakPolarHBondContact CD1-O 3.09Å; L90-I279 HydrophobicContact CD1-CG1 4.35Å
91	K	68.6	Low	71.4	Confident	89 Å²	89	59 Å²	59	39%	0.387	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124	171.1	-68.3	-179.1	168	-80.6	0	110.7	D89 E98 K277 R278 I279	D89-K91 PolarHBondContact O-N 3.05Å; K91-E98 IonicContact NZ-OE1 2.63Å; K91-E98 PolarHBondContact NZ-OE1 2.97Å; K91-E98 IonicContact NZ-OE2 2.63Å; K91-E98 PolarHBondContact NZ-OE2 3.32Å; K91-K277 PolarHBondContact N-O 3.12Å; K91-R278 HydrophobicContact CB-CG 4.13Å; K91-R278 CarbonylContact O-C 3.6Å; K91-R278 VanDerWaalsContact O-CA 3.27Å; K91-R278 WeakPolarHBondContact O-CA 3.48Å; K91-I279 PolarHBondContact O-N 2.79Å
92	I	68.8	Low	70.6	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.1	167.8	-53.1	-155.1	0	0	0	109.2	L90 V94 E98 I99 Y101 I247 I279	L90-I92 HydrophobicContact CD1-CG1 4.36Å; L90-I92 HydrophobicContact CD2-CD1 3.98Å; L90-I92 HydrophobicContact CD2-CG1 4Å; L90-I92 HydrophobicContact CG-CG1 3.98Å; I92-V94 HydrophobicContact CG2-CG2 4.28Å; I92-E98 WeakPolarHBondContact O-CA 3.47Å; I92-I99 PolarHBondContact O-N 2.77Å; I92-Y101 HydrophobicContact CD1-CD1 3.98Å; I92-Y101 HydrophobicContact CD1-CD2 3.99Å; I92-Y101 HydrophobicContact CD1-CG 3.58Å; I92-Y101 HydrophobicContact CG1-CG 4.46Å; I92-I247 HydrophobicContact CD1-CD1 3.57Å; I92-I247 HydrophobicContact CD1-CG1 4.36Å; I92-I247 HydrophobicContact CG2-CD1 4.47Å; I92-I279 WeakPolarHBondContact CA-O 3.41Å; I92-I279 HydrophobicContact CD1-CB 4.33Å; I92-I279 HydrophobicContact CD1-CD1 4.08Å; I92-I279 HydrophobicContact CG1-CB 4.2Å; I92-I279 HydrophobicContact CG2-CB 4.36Å; I92-I279 HydrophobicContact CG2-CG2 4.37Å
93	E	72.5	Confident	70.3	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.7	173.4	-176.8	-168	145.6	0	0	109.6	G96 E97 R278 I279 R280 I281	E93-G96 WeakPolarHBondContact OE1-CA 3.33Å; E93-E97 CarbonylContact C-O 3.59Å; E93-E97 VanDerWaalsContact CA-O 3.29Å; E93-E97 WeakPolarHBondContact CA-O 3.39Å; E93-R278 IonicContact OE2-CZ 3.93Å; E93-R278 IonicContact OE2-NE 3.03Å; E93-R278 IonicContact OE2-NH2 2.79Å; E93-R278 PolarHBondContact OE2-NH2 3.27Å; E93-I279 PolarHBondContact N-O 3.22Å; E93-R280 HydrophobicContact CB-CG 4.24Å; E93-R280 VanDerWaalsContact CD-NE 3.33Å; E93-R280 HydrophobicContact CG-CG 4.32Å; E93-R280 CarbonylContact O-C 3.6Å; E93-R280 WeakPolarHBondContact O-CA 3.4Å; E93-R280 IonicContact OE1-CZ 3.25Å; E93-R280 VanDerWaalsContact OE1-CZ 3.25Å; E93-R280 IonicContact OE1-NE 2.7Å; E93-R280 PolarHBondContact OE1-NE 2.87Å; E93-R280 IonicContact OE1-NH2 2.69Å; E93-R280 PolarHBondContact OE1-NH2 2.95Å; E93-R280 IonicContact OE2-NE 2.7Å; E93-R280 PolarHBondContact OE2-NE 2.8Å; E93-I281 PolarHBondContact O-N 2.8Å
94	V	70.8	Confident	70.6	Confident	26 Å²	26	56.2 Å²	56.2	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.2	173	-176.7	0	0	0	0	108.9	I92 G96 E97 I99 I281 T283	I92-V94 HydrophobicContact CG2-CG2 4.28Å; V94-G96 PolarHBondContact O-N 3.43Å; V94-E97 PolarHBondContact N-O 2.81Å; V94-E97 PolarHBondContact O-N 3.09Å; V94-I99 HydrophobicContact CB-CD1 4.13Å; V94-I99 HydrophobicContact CG2-CD1 3.44Å; V94-I99 VanDerWaalsContact CG2-CD1 3.44Å; V94-I99 HydrophobicContact CG2-CG1 4.1Å; V94-I281 WeakPolarHBondContact CA-O 3.36Å; V94-I281 HydrophobicContact CG2-CB 4.28Å; V94-T283 HydrophobicContact CG1-CG2 3.67Å
95	S	75.3	Confident	71	Confident	45 Å²	45	54.3 Å²	54.3	32%	0.315	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	34.3	-179.3	-60.3	0	0	0	0	114.9	I281 T283 D286	S95-I281 PolarHBondContact N-O 3.23Å; S95-T283 PolarHBondContact OG-OG1 2.72Å; S95-D286 WeakPolarHBondContact CA-OD2 3.2Å; S95-D286 WeakPolarHBondContact CB-OD1 3.36Å; S95-D286 WeakPolarHBondContact CB-OD2 3.37Å; S95-D286 PolarHBondContact OG-OD2 3.27Å
96	G	67	Low	71.3	Confident	49 Å²	49	54.3 Å²	54.3	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-12	-179.2	0	0	0	0	0	116.2	E93 V94	E93-G96 WeakPolarHBondContact OE1-CA 3.33Å; V94-G96 PolarHBondContact O-N 3.43Å
97	E	71.9	Confident	72.1	Confident	147 Å²	147	53.8 Å²	53.8	69%	0.687	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.5	-177.8	-61.5	-170.5	162.9	0	0	111.7	E93 V94	E93-E97 CarbonylContact C-O 3.59Å; E93-E97 VanDerWaalsContact CA-O 3.29Å; E93-E97 WeakPolarHBondContact CA-O 3.39Å; V94-E97 PolarHBondContact N-O 2.81Å; V94-E97 PolarHBondContact O-N 3.09Å
98	E	73	Confident	73	Confident	120 Å²	120	54.2 Å²	54.2	56%	0.561	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.1	173	-171.1	178.2	144.7	0	0	109.6	K91 I92	K91-E98 IonicContact NZ-OE1 2.63Å; K91-E98 PolarHBondContact NZ-OE1 2.97Å; K91-E98 IonicContact NZ-OE2 2.63Å; K91-E98 PolarHBondContact NZ-OE2 3.32Å; I92-E98 WeakPolarHBondContact O-CA 3.47Å
99	I	64.2	Low	74.3	Confident	41 Å²	41	47.5 Å²	47.5	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.8	-172.8	59.1	169	0	0	0	112.3	I92 V94 Y101 R243	I92-I99 PolarHBondContact O-N 2.77Å; V94-I99 HydrophobicContact CB-CD1 4.13Å; V94-I99 HydrophobicContact CG2-CD1 3.44Å; V94-I99 VanDerWaalsContact CG2-CD1 3.44Å; V94-I99 HydrophobicContact CG2-CG1 4.1Å; I99-Y101 PolarHBondContact O-N 2.9Å; I99-R243 VanDerWaalsContact CD1-NH1 3.29Å
100	P	62.1	Low	75.4	Confident	131 Å²	131	44.2 Å²	44.2	85%	0.851	25%	0.246	S	C	*	.			trans	-66.9	118.9	169.2	27.9	-32.5	0	0	0	109.4
101	Y	66.1	Low	76.2	Confident	37 Å²	37	42.9 Å²	42.9	15%	0.145	24%	0.239	C	C	.	.			trans	-110.1	139.2	177.6	-168.4	-80.1	0	0	0	110.7	I92 I99 T103 H105 R243 I247	I92-Y101 HydrophobicContact CD1-CD1 3.98Å; I92-Y101 HydrophobicContact CD1-CD2 3.99Å; I92-Y101 HydrophobicContact CD1-CG 3.58Å; I92-Y101 HydrophobicContact CG1-CG 4.46Å; I99-Y101 PolarHBondContact O-N 2.9Å; Y101-T103 HydrophobicContact CD1-CG2 3.81Å; Y101-T103 HydrophobicContact CE1-CG2 4.19Å; Y101-H105 AromaticContact CE1-CD2 3.91Å; Y101-H105 AromaticContact CE1-NE2 3.36Å; Y101-H105 WeakPolarHBondContact CE1-NE2 3.44Å; Y101-H105 AromaticContact CZ-NE2 3.45Å; Y101-H105 PolarHBondContact OH-NE2 2.61Å; Y101-R243 HydrophobicContact CD2-CG 4.4Å; Y101-R243 HydrophobicContact CE2-CG 3.74Å; Y101-I247 HydrophobicContact CD1-CD1 4.34Å; Y101-I247 HydrophobicContact CD2-CD1 3.59Å; Y101-I247 HydrophobicContact CE1-CD1 4.01Å; Y101-I247 HydrophobicContact CE1-CG2 4.31Å; Y101-I247 HydrophobicContact CE2-CD1 3.19Å; Y101-I247 HydrophobicContact CG-CD1 4.18Å; Y101-I247 VanDerWaalsContact CZ-CD1 3.44Å
102	D	68.8	Low	76.9	Confident	75 Å²	75	42.2 Å²	42.2	40%	0.401	24%	0.235	S	C	.	.			trans	-99.6	97.4	176.2	174.2	17.8	0	0	0	110.6	K54 S104 H105	K54-D102 WeakPolarHBondContact CE-OD2 3.47Å; K54-D102 IonicContact NZ-OD2 3.47Å; K54-D102 PolarHBondContact NZ-OD2 3.48Å; D102-S104 PolarHBondContact O-N 3.19Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.41Å; D102-S104 PolarHBondContact OD1-OG 3.08Å; D102-S104 PolarHBondContact OD2-OG 2.99Å; D102-H105 PolarHBondContact O-CD2 3.3Å
103	T	75.6	Confident	77.3	Confident	37 Å²	37	42.1 Å²	42.1	23%	0.227	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-72.7	3	178.7	52.6	0	0	0	0	114	F86 L90 Y101 H105 I106	F86-T103 HydrophobicContact CB-CG2 4.43Å; F86-T103 HydrophobicContact CD2-CG2 3.99Å; F86-T103 HydrophobicContact CG-CG2 4.19Å; L90-T103 HydrophobicContact CD2-CG2 3.91Å; Y101-T103 HydrophobicContact CD1-CG2 3.81Å; Y101-T103 HydrophobicContact CE1-CG2 4.19Å; T103-H105 PolarHBondContact O-N 3.21Å; T103-I106 PolarHBondContact O-N 3.02Å
104	S	79.5	Confident	77.6	Confident	5 Å²	5	41.8 Å²	41.8	4%	0.035	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65	-6.2	-174.4	67.4	0	0	0	0	115.9	H50 K54 R81 D102	H50-S104 PolarHBondContact CE1-O 2.85Å; K54-S104 WeakPolarHBondContact CD-OG 3.44Å; R81-S104 WeakPolarHBondContact CD-O 3.44Å; R81-S104 WeakPolarHBondContact CG-O 3.3Å; D102-S104 PolarHBondContact O-N 3.19Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.41Å; D102-S104 PolarHBondContact OD1-OG 3.08Å; D102-S104 PolarHBondContact OD2-OG 2.99Å
105	H	81.1	Confident	77.7	Confident	15 Å²	15	48.3 Å²	48.3	7%	0.069	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-83.4	-10	170.5	72.5	91.6	0	0	0	113.7	Y101 D102 T103 Y107 S122 V123 V124	Y101-H105 AromaticContact CE1-CD2 3.91Å; Y101-H105 AromaticContact CE1-NE2 3.36Å; Y101-H105 WeakPolarHBondContact CE1-NE2 3.44Å; Y101-H105 AromaticContact CZ-NE2 3.45Å; Y101-H105 PolarHBondContact OH-NE2 2.61Å; D102-H105 PolarHBondContact O-CD2 3.3Å; T103-H105 PolarHBondContact O-N 3.21Å; H105-Y107 VanDerWaalsContact O-CD2 3.26Å; H105-Y107 WeakPolarHBondContact O-CD2 3.43Å; H105-S122 PolarHBondContact ND1-OG 3.16Å; H105-S122 CarbonylContact O-C 3.56Å; H105-S122 VanDerWaalsContact O-CA 3.3Å; H105-S122 WeakPolarHBondContact O-CA 3.12Å; H105-V123 WeakPolarHBondContact CB-O 3.08Å; H105-V123 PolarHBondContact O-N 2.88Å; H105-V124 HydrophobicContact CB-CG2 4.48Å
106	I	86.6	Confident	77.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.2	177	-59.5	-63.3	0	0	0	110.1	R81 D82 F86 T103 A248 S251	R81-I106 VanDerWaalsContact CA-O 3.27Å; R81-I106 WeakPolarHBondContact CA-O 3.28Å; D82-I106 HydrophobicContact CB-CG2 3.93Å; D82-I106 PolarHBondContact N-O 3.03Å; F86-I106 HydrophobicContact CE2-CG1 4.13Å; F86-I106 HydrophobicContact CE2-CG2 4.32Å; T103-I106 PolarHBondContact O-N 3.02Å; I106-A248 HydrophobicContact CD1-CB 4.45Å; I106-S251 VanDerWaalsContact CG2-OG 3.28Å; I106-S251 WeakPolarHBondContact CG2-OG 3.27Å
107	Y	91.1	Very high	78.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141	-172.5	-78	-89.7	0	0	0	112.5	H50 L64 M79 K80 R81 H105 H120 G121 V123	H50-Y107 AromaticContact ND1-CE2 3.7Å; H50-Y107 AromaticContact ND1-CZ 3.78Å; H50-Y107 PolarHBondContact ND1-OH 3.31Å; L64-Y107 HydrophobicContact CB-CD1 4.01Å; L64-Y107 HydrophobicContact CB-CE1 3.51Å; L64-Y107 HydrophobicContact CD2-CD1 4.25Å; L64-Y107 HydrophobicContact CD2-CD2 4.2Å; L64-Y107 HydrophobicContact CD2-CE1 3.87Å; L64-Y107 HydrophobicContact CD2-CE2 3.82Å; L64-Y107 HydrophobicContact CD2-CG 4.42Å; L64-Y107 HydrophobicContact CG-CE1 4.35Å; M79-Y107 HydrophobicContact CB-CD1 3.97Å; M79-Y107 HydrophobicContact CB-CG 4.41Å; K80-Y107 CarbonylContact O-C 3.59Å; K80-Y107 VanDerWaalsContact O-CA 3.29Å; K80-Y107 WeakPolarHBondContact O-CA 3.35Å; K80-Y107 WeakPolarHBondContact O-CD1 3.47Å; R81-Y107 HydrophobicContact CG-CD1 4.31Å; R81-Y107 HydrophobicContact CG-CE1 3.69Å; R81-Y107 HydrophobicContact CG-CE2 4.39Å; H105-Y107 VanDerWaalsContact O-CD2 3.26Å; H105-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y107-H120 WeakPolarHBondContact O-CA 3.49Å; Y107-H120 PolarHBondContact O-ND1 3.04Å; Y107-G121 PolarHBondContact N-O 2.97Å; Y107-G121 PolarHBondContact O-N 3.1Å; Y107-V123 HydrophobicContact CD2-CB 4.17Å; Y107-V123 HydrophobicContact CD2-CG2 3.93Å; Y107-V123 HydrophobicContact CE2-CB 4.09Å; Y107-V123 HydrophobicContact CE2-CG2 4.23Å
108	T	90.5	Very high	79.6	Confident	25 Å²	25	42.8 Å²	42.8	15%	0.153	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.6	170.8	-67.2	0	0	0	0	109.1	K80 D82 L118 T119 H120	K80-T108 PolarHBondContact N-O 3.36Å; K80-T108 PolarHBondContact O-N 3.08Å; K80-T108 VanDerWaalsContact O-O 3.04Å; D82-T108 WeakPolarHBondContact OD2-CB 3.26Å; D82-T108 PolarHBondContact OD2-OG1 2.93Å; T108-L118 HydrophobicContact CG2-CD1 4.07Å; T108-T119 CarbonylContact C-O 3.57Å; T108-T119 WeakPolarHBondContact CA-O 3.38Å; T108-H120 PolarHBondContact OG1-ND1 2.84Å
109	G	89.9	Confident	80.6	Confident	7 Å²	7	37.1 Å²	37.1	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-157.8	178.1	0	0	0	0	0	114.3	R78 T119	R78-G109 WeakPolarHBondContact O-CA 3.21Å; G109-T119 VanDerWaalsContact C-CG2 3.42Å; G109-T119 PolarHBondContact N-O 3.04Å; G109-T119 WeakPolarHBondContact O-CG2 3.45Å; G109-T119 PolarHBondContact O-N 3.22Å
110	E	87.8	Confident	82	Confident	30 Å²	30	35.2 Å²	35.2	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	164.2	-176.3	60.1	177.5	-178.8	0	0	111.5	R78 L468	R78-E110 PolarHBondContact N-O 3.13Å; R78-E110 IonicContact NH1-OE1 3.66Å; R78-E110 PolarHBondContact NH1-OE1 3.49Å; R78-E110 PolarHBondContact O-N 2.81Å; E110-L468 HydrophobicContact CG-CD2 4.38Å
111	I	88.6	Confident	83.5	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121	160.5	-56.8	177	0	0	0	106.6	F75 N76 L77 G113 E114 T117 I132	F75-I111 HydrophobicContact CD1-CD1 4.35Å; N76-I111 CarbonylContact O-C 3.4Å; N76-I111 WeakPolarHBondContact O-CA 2.92Å; L77-I111 HydrophobicContact CD2-CG1 3.98Å; I111-G113 PolarHBondContact O-N 2.81Å; I111-E114 HydrophobicContact CB-CB 4.17Å; I111-E114 HydrophobicContact CB-CG 4.31Å; I111-E114 HydrophobicContact CG2-CB 4.4Å; I111-E114 HydrophobicContact CG2-CG 4Å; I111-E114 PolarHBondContact O-N 2.85Å; I111-T117 HydrophobicContact CB-CG2 4.3Å; I111-T117 HydrophobicContact CD1-CG2 4.16Å; I111-T117 HydrophobicContact CG1-CG2 4.36Å; I111-T117 PolarHBondContact N-OG1 2.04Å; I111-I132 HydrophobicContact CD1-CG2 3.8Å; I111-I132 HydrophobicContact CG1-CG2 3.96Å
112	Y	83.6	Confident	84.6	Confident	74 Å²	74	27.6 Å²	27.6	29%	0.29	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	114.3	-167.3	-179	-125.2	0	0	0	112.3	N76 R78 P513	N76-Y112 PolarHBondContact O-N 3.31Å; N76-Y112 WeakPolarHBondContact OD1-CB 3.34Å; R78-Y112 HydrophobicContact CB-CD2 4.38Å; Y112-P513 HydrophobicContact CE1-CB 3.92Å; Y112-P513 HydrophobicContact CE1-CG 4.39Å
113	G	76.5	Confident	85.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	1.6	-179	0	0	0	0	0	116.1	I111 C547	I111-G113 PolarHBondContact O-N 2.81Å; G113-C547 PolarHBondContact O-N 2.98Å; G113-C547 VanDerWaalsContact O-N 3.13Å
114	E	79.3	Confident	86	Confident	9 Å²	9	24.8 Å²	24.8	4%	0.042	14%	0.143	C	C	.	.			trans	-108.2	109	176	-63.5	-172.6	-171.7	0	0	111.7	R73 I111 T117 Y135 R529	R73-E114 IonicContact CZ-OE1 2.68Å; R73-E114 IonicContact NH2-OE1 2.87Å; R73-E114 PolarHBondContact NH2-OE1 2.84Å; R73-E114 IonicContact NH2-OE2 2.66Å; R73-E114 PolarHBondContact NH2-OE2 3.44Å; I111-E114 HydrophobicContact CB-CB 4.17Å; I111-E114 HydrophobicContact CB-CG 4.31Å; I111-E114 HydrophobicContact CG2-CB 4.4Å; I111-E114 HydrophobicContact CG2-CG 4Å; I111-E114 PolarHBondContact O-N 2.85Å; E114-T117 HydrophobicContact CB-CG2 3.49Å; E114-T117 VanDerWaalsContact CB-CG2 3.49Å; E114-T117 WeakPolarHBondContact O-CG2 3.36Å; E114-T117 PolarHBondContact O-OG1 2.83Å; E114-Y135 WeakPolarHBondContact OE2-CD1 3.19Å; E114-Y135 VanDerWaalsContact OE2-CE1 3.24Å; E114-Y135 WeakPolarHBondContact OE2-CE1 3.38Å; E114-R529 IonicContact OE1-CZ 2.67Å; E114-R529 IonicContact OE1-NE 3.7Å; E114-R529 IonicContact OE1-NH1 3.17Å; E114-R529 PolarHBondContact OE1-NH1 3.27Å; E114-R529 IonicContact OE1-NH2 3.57Å; E114-R529 PolarHBondContact OE1-NH2 3.45Å
115	K	73.4	Confident	86.2	Confident	162 Å²	162	30.1 Å²	30.1	70%	0.704	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	141.3	-179.3	-152.9	168.2	-117.6	145.8	0	112.1	T117 Q546	K115-T117 PolarHBondContact O-N 3.2Å; K115-Q546 VanDerWaalsContact CB-NE2 3.35Å
116	G	76	Confident	86.4	Confident	78 Å²	78	29.5 Å²	29.5	80%	0.804	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	18.1	176.3	0	0	0	0	0	113.8
117	T	87.6	Confident	86.6	Confident	16 Å²	16	32.6 Å²	32.6	10%	0.098	18%	0.182	C	C	.	.			trans	-90.7	152.8	167.6	63.4	0	0	0	0	110.1	I111 E114 K115 Q133	I111-T117 HydrophobicContact CB-CG2 4.3Å; I111-T117 HydrophobicContact CD1-CG2 4.16Å; I111-T117 HydrophobicContact CG1-CG2 4.36Å; I111-T117 PolarHBondContact N-OG1 2.04Å; E114-T117 HydrophobicContact CB-CG2 3.49Å; E114-T117 VanDerWaalsContact CB-CG2 3.49Å; E114-T117 WeakPolarHBondContact O-CG2 3.36Å; E114-T117 PolarHBondContact O-OG1 2.83Å; K115-T117 PolarHBondContact O-N 3.2Å; T117-Q133 WeakPolarHBondContact CA-O 3.33Å; T117-Q133 WeakPolarHBondContact CB-O 3.42Å
118	L	90.1	Very high	86.7	Confident	32 Å²	32	32.7 Å²	32.7	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.7	179.1	171.1	63	0	0	0	108.8	T108 F131 Q133 A259	T108-L118 HydrophobicContact CG2-CD1 4.07Å; L118-F131 HydrophobicContact CD2-CE2 4.2Å; L118-F131 HydrophobicContact CG-CE2 4.28Å; L118-Q133 HydrophobicContact CB-CB 4.29Å; L118-Q133 PolarHBondContact N-O 2.59Å; L118-Q133 VanDerWaalsContact N-O 3.07Å; L118-Q133 WeakPolarHBondContact O-CA 3.23Å; L118-Q133 WeakPolarHBondContact O-CB 3.14Å; L118-Q133 PolarHBondContact O-N 2.03Å; L118-A259 HydrophobicContact CD2-CB 4.09Å
119	T	93.9	Very high	86.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.8	165.9	175.9	0	0	0	0	109.5	L77 M79 T108 G109 F131	L77-T119 HydrophobicContact CB-CG2 4.41Å; L77-T119 HydrophobicContact CD2-CG2 4.22Å; M79-T119 HydrophobicContact CG-CG2 3.69Å; M79-T119 HydrophobicContact SD-CG2 4.07Å; T108-T119 CarbonylContact C-O 3.57Å; T108-T119 WeakPolarHBondContact CA-O 3.38Å; G109-T119 VanDerWaalsContact C-CG2 3.42Å; G109-T119 PolarHBondContact N-O 3.04Å; G109-T119 WeakPolarHBondContact O-CG2 3.45Å; G109-T119 PolarHBondContact O-N 3.22Å; T119-F131 WeakPolarHBondContact CA-O 3.06Å; T119-F131 PolarHBondContact OG1-O 3.14Å
120	H	94.4	Very high	86.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.5	175.2	-179.4	81.7	0	0	0	109.9	Y107 T108 G130 F131 S251 K255	Y107-H120 WeakPolarHBondContact O-CA 3.49Å; Y107-H120 PolarHBondContact O-ND1 3.04Å; T108-H120 PolarHBondContact OG1-ND1 2.84Å; H120-G130 CarbonylContact O-C 3.51Å; H120-G130 VanDerWaalsContact O-CA 3.28Å; H120-G130 WeakPolarHBondContact O-CA 3.45Å; H120-F131 HydrophobicContact CB-CE1 3.92Å; H120-F131 HydrophobicContact CB-CE2 4.41Å; H120-F131 HydrophobicContact CB-CZ 3.85Å; H120-F131 PolarHBondContact N-O 3.45Å; H120-F131 PolarHBondContact O-N 3.24Å; H120-S251 PolarHBondContact CE1-OG 2.87Å; H120-S251 PolarHBondContact NE2-O 3.45Å; H120-S251 PolarHBondContact NE2-OG 3.01Å; H120-K255 HydrophobicContact CB-CG 4.07Å
121	G	92.6	Very high	87.1	Confident	4 Å²	4	31.9 Å²	31.9	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-167.2	-178.9	0	0	0	0	0	114.4	Y107 E129	Y107-G121 PolarHBondContact N-O 2.97Å; Y107-G121 PolarHBondContact O-N 3.1Å; G121-E129 CarbonylContact C-O 3.19Å; G121-E129 WeakPolarHBondContact CA-O 3.35Å
122	S	89.6	Confident	87.4	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.4	-177.5	178.6	0	0	0	0	109.8	H105 F128 E129	H105-S122 PolarHBondContact ND1-OG 3.16Å; H105-S122 CarbonylContact O-C 3.56Å; H105-S122 VanDerWaalsContact O-CA 3.3Å; H105-S122 WeakPolarHBondContact O-CA 3.12Å; S122-F128 CarbonylContact O-C 3.5Å; S122-F128 VanDerWaalsContact O-CA 3.31Å; S122-F128 WeakPolarHBondContact O-CA 3.46Å; S122-E129 PolarHBondContact N-O 3.02Å; S122-E129 PolarHBondContact O-N 2.72Å
123	V	91.1	Very high	87.7	Confident	3 Å²	3	32 Å²	32	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	103.8	173.5	-179.6	0	0	0	0	110.5	I46 H50 L64 H105 Y107 K127 F128	I46-V123 HydrophobicContact CG2-CG1 3.8Å; H50-V123 HydrophobicContact CB-CG1 4.49Å; L64-V123 HydrophobicContact CD2-CB 4.11Å; L64-V123 HydrophobicContact CD2-CG1 4.11Å; L64-V123 HydrophobicContact CD2-CG2 3.61Å; H105-V123 WeakPolarHBondContact CB-O 3.08Å; H105-V123 PolarHBondContact O-N 2.88Å; Y107-V123 HydrophobicContact CD2-CB 4.17Å; Y107-V123 HydrophobicContact CD2-CG2 3.93Å; Y107-V123 HydrophobicContact CE2-CB 4.09Å; Y107-V123 HydrophobicContact CE2-CG2 4.23Å; V123-K127 WeakPolarHBondContact CA-O 3.06Å; V123-F128 HydrophobicContact CG2-CB 4.27Å; V123-F128 HydrophobicContact CG2-CD2 3.9Å
124	V	83.4	Confident	88.1	Confident	51 Å²	51	32.5 Å²	32.5	31%	0.309	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.3	179.8	-177	0	0	0	0	108.4	H105 G126 K127 E244	H105-V124 HydrophobicContact CB-CG2 4.48Å; V124-G126 PolarHBondContact O-N 3.44Å; V124-K127 PolarHBondContact N-O 3.44Å; V124-K127 PolarHBondContact O-N 3.26Å; V124-E244 HydrophobicContact CG2-CB 4.35Å
125	D	82.9	Confident	88.2	Confident	117 Å²	117	36.2 Å²	36.2	63%	0.626	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	32.9	-177	-58.4	-29.5	0	0	0	114.2	K127	D125-K127 PolarHBondContact O-N 2.95Å
126	G	85.1	Confident	88.2	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-12.6	-178	0	0	0	0	0	115	Y41 T43 I46 V124	Y41-G126 WeakPolarHBondContact CE2-O 3.05Å; T43-G126 WeakPolarHBondContact O-CA 3.45Å; I46-G126 WeakPolarHBondContact CG2-O 3.04Å; V124-G126 PolarHBondContact O-N 3.44Å
127	K	90.6	Very high	88.4	Confident	66 Å²	66	27.6 Å²	27.6	29%	0.287	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.7	176.4	-56.2	179.9	-171.4	176.3	0	110.1	T43 V123 V124 D125 E145 H156	T43-K127 HydrophobicContact CG2-CG 4.09Å; V123-K127 WeakPolarHBondContact CA-O 3.06Å; V124-K127 PolarHBondContact N-O 3.44Å; V124-K127 PolarHBondContact O-N 3.26Å; D125-K127 PolarHBondContact O-N 2.95Å; K127-E145 IonicContact NZ-OE1 3.75Å; K127-E145 PolarHBondContact NZ-OE1 2.82Å; K127-H156 HydrophobicContact CD-CB 4.12Å; K127-H156 HydrophobicContact CG-CB 4.4Å
128	F	93.9	Very high	88.4	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.6	168.5	176.1	-100	0	0	0	110.8	Y41 L66 L77 M79 S122 V123 I132 V141	Y41-F128 WeakPolarHBondContact OH-CB 3.03Å; Y41-F128 PolarHBondContact OH-N 2.81Å; L66-F128 HydrophobicContact CD2-CB 3.66Å; L66-F128 HydrophobicContact CD2-CD1 4.36Å; L66-F128 HydrophobicContact CD2-CD2 4.48Å; L66-F128 HydrophobicContact CD2-CG 3.94Å; L77-F128 HydrophobicContact CD1-CE1 4.46Å; M79-F128 HydrophobicContact CE-CD2 4.12Å; M79-F128 HydrophobicContact CE-CE2 4.17Å; M79-F128 HydrophobicContact SD-CD2 4.16Å; M79-F128 HydrophobicContact SD-CE2 3.61Å; M79-F128 HydrophobicContact SD-CZ 4.28Å; S122-F128 CarbonylContact O-C 3.5Å; S122-F128 VanDerWaalsContact O-CA 3.31Å; S122-F128 WeakPolarHBondContact O-CA 3.46Å; V123-F128 HydrophobicContact CG2-CB 4.27Å; V123-F128 HydrophobicContact CG2-CD2 3.9Å; F128-I132 HydrophobicContact CE1-CD1 4.44Å; F128-I132 HydrophobicContact CE1-CG1 4.34Å; F128-V141 HydrophobicContact CD1-CB 3.94Å; F128-V141 HydrophobicContact CD1-CG1 4.06Å; F128-V141 HydrophobicContact CD1-CG2 4.2Å; F128-V141 HydrophobicContact CE1-CB 4.1Å; F128-V141 HydrophobicContact CE1-CG2 4.16Å; F128-V141 WeakPolarHBondContact O-CG1 3.47Å
129	E	90.8	Very high	88.5	Confident	26 Å²	26	26 Å²	26	12%	0.121	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.8	167.8	175.8	179.2	164.5	0	0	108.3	G121 S122 V141 P143 R146 Q249	G121-E129 CarbonylContact C-O 3.19Å; G121-E129 WeakPolarHBondContact CA-O 3.35Å; S122-E129 PolarHBondContact N-O 3.02Å; S122-E129 PolarHBondContact O-N 2.72Å; E129-V141 CarbonylContact C-O 3.52Å; E129-V141 WeakPolarHBondContact CA-O 3.4Å; E129-P143 VanDerWaalsContact OE2-CD 3.27Å; E129-P143 WeakPolarHBondContact OE2-CD 3.48Å; E129-P143 WeakPolarHBondContact OE2-CG 2.98Å; E129-R146 IonicContact OE1-CZ 3.56Å; E129-R146 VanDerWaalsContact OE1-CZ 3.23Å; E129-R146 IonicContact OE1-NH1 3.9Å; E129-R146 PolarHBondContact OE1-NH1 2.87Å; E129-R146 IonicContact OE1-NH2 3.21Å; E129-R146 PolarHBondContact OE1-NH2 2.76Å; E129-R146 IonicContact OE2-CZ 2.72Å; E129-R146 IonicContact OE2-NH1 3.41Å; E129-R146 IonicContact OE2-NH2 2.78Å; E129-R146 PolarHBondContact OE2-NH2 3.43Å; E129-Q249 PolarHBondContact OE1-NE2 3.14Å
130	G	92.4	Very high	88.4	Confident	11 Å²	11	26.7 Å²	26.7	11%	0.113	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-163.1	-176	0	0	0	0	0	114.5	H120 V141	H120-G130 CarbonylContact O-C 3.51Å; H120-G130 VanDerWaalsContact O-CA 3.28Å; H120-G130 WeakPolarHBondContact O-CA 3.45Å; G130-V141 PolarHBondContact N-O 2.82Å; G130-V141 PolarHBondContact O-N 3.29Å
131	F	93.5	Very high	88.3	Confident	9 Å²	9	26.7 Å²	26.7	4%	0.039	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.5	177	69.2	-95.2	0	0	0	112.3	L118 T119 H120 T138 Y139 Y140 H382	L118-F131 HydrophobicContact CD2-CE2 4.2Å; L118-F131 HydrophobicContact CG-CE2 4.28Å; T119-F131 WeakPolarHBondContact CA-O 3.06Å; T119-F131 PolarHBondContact OG1-O 3.14Å; H120-F131 HydrophobicContact CB-CE1 3.92Å; H120-F131 HydrophobicContact CB-CE2 4.41Å; H120-F131 HydrophobicContact CB-CZ 3.85Å; H120-F131 PolarHBondContact N-O 3.45Å; H120-F131 PolarHBondContact O-N 3.24Å; F131-T138 HydrophobicContact CB-CG2 4.25Å; F131-T138 HydrophobicContact CD2-CG2 4.35Å; F131-Y139 CarbonylContact C-O 3.57Å; F131-Y139 WeakPolarHBondContact CA-O 3.04Å; F131-Y140 HydrophobicContact CB-CD1 3.8Å; F131-Y140 HydrophobicContact CB-CE1 3.79Å; F131-H382 AromaticContact CD1-CE1 3.93Å
132	I	94.1	Very high	88.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	96.3	-178	-54.2	161.2	0	0	0	107.5	F68 F75 L77 I111 F128 T138 Y139 V141	F68-I132 HydrophobicContact CZ-CD1 3.76Å; F75-I132 HydrophobicContact CD1-CD1 4.46Å; F75-I132 HydrophobicContact CD1-CG2 4.16Å; F75-I132 HydrophobicContact CE1-CG2 4.14Å; L77-I132 HydrophobicContact CD1-CD1 3.76Å; L77-I132 HydrophobicContact CD1-CG1 4.03Å; L77-I132 HydrophobicContact CD2-CD1 4.22Å; L77-I132 HydrophobicContact CD2-CG1 4.26Å; L77-I132 HydrophobicContact CD2-CG2 3.89Å; I111-I132 HydrophobicContact CD1-CG2 3.8Å; I111-I132 HydrophobicContact CG1-CG2 3.96Å; F128-I132 HydrophobicContact CE1-CD1 4.44Å; F128-I132 HydrophobicContact CE1-CG1 4.34Å; I132-T138 WeakPolarHBondContact O-CA 3.4Å; I132-Y139 PolarHBondContact N-O 3.36Å; I132-Y139 PolarHBondContact O-N 3.32Å; I132-V141 HydrophobicContact CD1-CG2 4.01Å
133	Q	89.4	Confident	88	Confident	81 Å²	81	27.6 Å²	27.6	38%	0.379	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.8	175.9	-170.3	178.4	18.2	0	0	110.3	T117 L118 T138	T117-Q133 WeakPolarHBondContact CA-O 3.33Å; T117-Q133 WeakPolarHBondContact CB-O 3.42Å; L118-Q133 HydrophobicContact CB-CB 4.29Å; L118-Q133 PolarHBondContact N-O 2.59Å; L118-Q133 VanDerWaalsContact N-O 3.07Å; L118-Q133 WeakPolarHBondContact O-CA 3.23Å; L118-Q133 WeakPolarHBondContact O-CB 3.14Å; L118-Q133 PolarHBondContact O-N 2.03Å; Q133-T138 HydrophobicContact CB-CG2 4.39Å
134	S	86.8	Confident	87.7	Confident	11 Å²	11	27.8 Å²	27.8	8%	0.077	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	173	178.6	83.3	0	0	0	0	111.9	R73 H136 G137	R73-S134 PolarHBondContact NH1-OG 3.33Å; S134-H136 PolarHBondContact O-N 2.83Å; S134-H136 PolarHBondContact OG-N 3.03Å; S134-G137 CarbonylContact C-O 3.55Å; S134-G137 WeakPolarHBondContact CA-O 3.25Å; S134-G137 WeakPolarHBondContact CB-O 3.22Å; S134-G137 PolarHBondContact N-O 3.03Å; S134-G137 PolarHBondContact O-N 3.28Å; S134-G137 PolarHBondContact OG-O 2.88Å
135	Y	79.7	Confident	87.6	Confident	87 Å²	87	29 Å²	29	34%	0.341	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.9	178.7	66.2	-88.7	0	0	0	114.4	E114 R529 T549	E114-Y135 WeakPolarHBondContact OE2-CD1 3.19Å; E114-Y135 VanDerWaalsContact OE2-CE1 3.24Å; E114-Y135 WeakPolarHBondContact OE2-CE1 3.38Å; Y135-R529 PolarHBondContact OH-NH1 3.45Å; Y135-T549 HydrophobicContact CD2-CG2 3.98Å; Y135-T549 HydrophobicContact CE2-CG2 3.26Å
136	H	75.1	Confident	87.4	Confident	47 Å²	47	25.3 Å²	25.3	22%	0.218	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11	169.2	-70.2	-56.1	0	0	0	113.2	S134 H161 N568	S134-H136 PolarHBondContact O-N 2.83Å; S134-H136 PolarHBondContact OG-N 3.03Å; H136-H161 PolarHBondContact O-CE1 3.08Å; H136-N568 PolarHBondContact CE1-O 2.77Å; H136-N568 PolarHBondContact ND1-O 3.2Å
137	G	79.3	Confident	87	Confident	12 Å²	12	27.1 Å²	27.1	12%	0.124	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-173.3	-167.3	0	0	0	0	0	112.7	S134 H161 E162	S134-G137 CarbonylContact C-O 3.55Å; S134-G137 WeakPolarHBondContact CA-O 3.25Å; S134-G137 WeakPolarHBondContact CB-O 3.22Å; S134-G137 PolarHBondContact N-O 3.03Å; S134-G137 PolarHBondContact O-N 3.28Å; S134-G137 PolarHBondContact OG-O 2.88Å; G137-H161 VanDerWaalsContact C-NE2 3.32Å; G137-H161 WeakPolarHBondContact CA-NE2 3.29Å; G137-E162 WeakPolarHBondContact CA-OE1 3.13Å
138	T	87.7	Confident	86.3	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.055	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	-166.9	-45	0	0	0	0	110.6	F131 I132 Q133 Y140 H161 E162	F131-T138 HydrophobicContact CB-CG2 4.25Å; F131-T138 HydrophobicContact CD2-CG2 4.35Å; I132-T138 WeakPolarHBondContact O-CA 3.4Å; Q133-T138 HydrophobicContact CB-CG2 4.39Å; T138-Y140 HydrophobicContact CG2-CE1 4.36Å; T138-Y140 HydrophobicContact CG2-CE2 3.95Å; T138-H161 PolarHBondContact N-NE2 2.64Å; T138-H161 PolarHBondContact O-CD2 2.68Å; T138-H161 VanDerWaalsContact O-CD2 3.29Å; T138-E162 VanDerWaalsContact CB-OE1 3.31Å; T138-E162 WeakPolarHBondContact CB-OE1 3.43Å; T138-E162 PolarHBondContact N-OE1 3.39Å; T138-E162 VanDerWaalsContact O-CB 3.3Å; T138-E162 WeakPolarHBondContact O-CB 3.27Å; T138-E162 PolarHBondContact O-N 2.74Å; T138-E162 PolarHBondContact OG1-OE1 2.78Å
139	Y	91.6	Very high	85	Confident	6 Å²	6	31.2 Å²	31.2	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.9	172.1	-55.5	-96.1	0	0	0	109.6	H71 F75 F131 I132 Y160 H161	H71-Y139 HydrophobicContact CB-CE1 3.88Å; H71-Y139 AromaticContact CG-CE1 3.9Å; F75-Y139 AromaticContact CE1-CD2 3.74Å; F75-Y139 HydrophobicContact CE1-CD2 3.74Å; F75-Y139 AromaticContact CE1-CE2 3.87Å; F75-Y139 HydrophobicContact CE1-CE2 3.87Å; F75-Y139 HydrophobicContact CE1-CG 4.23Å; F75-Y139 HydrophobicContact CZ-CD1 4.02Å; F75-Y139 AromaticContact CZ-CD2 3.69Å; F75-Y139 HydrophobicContact CZ-CD2 3.69Å; F75-Y139 AromaticContact CZ-CE1 3.99Å; F75-Y139 HydrophobicContact CZ-CE1 3.99Å; F75-Y139 AromaticContact CZ-CE2 3.66Å; F75-Y139 HydrophobicContact CZ-CE2 3.66Å; F75-Y139 AromaticContact CZ-CG 3.88Å; F75-Y139 HydrophobicContact CZ-CG 3.88Å; F75-Y139 AromaticContact CZ-CZ 3.8Å; F131-Y139 CarbonylContact C-O 3.57Å; F131-Y139 WeakPolarHBondContact CA-O 3.04Å; I132-Y139 PolarHBondContact N-O 3.36Å; I132-Y139 PolarHBondContact O-N 3.32Å; Y139-Y160 WeakPolarHBondContact CA-O 3.26Å; Y139-H161 HydrophobicContact CD1-CB 4.13Å; Y139-H161 AromaticContact CD1-CD2 3.59Å; Y139-H161 HydrophobicContact CE1-CB 4.1Å; Y139-H161 AromaticContact CE1-CD2 3.4Å; Y139-H161 VanDerWaalsContact CE1-CD2 3.4Å; Y139-H161 WeakPolarHBondContact CE1-CD2 3.31Å; Y139-H161 AromaticContact CE1-CG 3.97Å; Y139-H161 AromaticContact CE2-CD2 3.85Å; Y139-H161 AromaticContact CG-CD2 3.9Å; Y139-H161 AromaticContact CZ-CD2 3.55Å
140	Y	91.6	Very high	83.6	Confident	14 Å²	14	34.2 Å²	34.2	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.7	175.9	-64.5	-86.8	0	0	0	109.4	F131 T138 I159 Y160 E162 I165 P378 K379	F131-Y140 HydrophobicContact CB-CD1 3.8Å; F131-Y140 HydrophobicContact CB-CE1 3.79Å; T138-Y140 HydrophobicContact CG2-CE1 4.36Å; T138-Y140 HydrophobicContact CG2-CE2 3.95Å; Y140-I159 VanDerWaalsContact O-CA 3.31Å; Y140-I159 WeakPolarHBondContact O-CA 3.47Å; Y140-Y160 VanDerWaalsContact CB-CZ 3.47Å; Y140-Y160 HydrophobicContact CD2-CD2 4.4Å; Y140-Y160 AromaticContact CD2-CE2 3.87Å; Y140-Y160 HydrophobicContact CD2-CE2 3.87Å; Y140-Y160 HydrophobicContact CG-CE2 4.07Å; Y140-Y160 PolarHBondContact N-O 2.96Å; Y140-Y160 PolarHBondContact O-N 2.94Å; Y140-E162 HydrophobicContact CE2-CB 4.12Å; Y140-I165 HydrophobicContact CD2-CD1 4.1Å; Y140-I165 HydrophobicContact CE2-CD1 3.97Å; Y140-P378 HydrophobicContact CD1-CB 4.06Å; Y140-P378 HydrophobicContact CE1-CB 4.1Å; Y140-K379 HydrophobicContact CE1-CB 4.49Å; Y140-K379 HydrophobicContact CE2-CB 3.97Å; Y140-K379 HydrophobicContact CE2-CD 4.42Å; Y140-K379 WeakPolarHBondContact OH-CB 3.46Å
141	V	93.4	Very high	82.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.1	177.5	-176	0	0	0	0	108.7	L39 F128 E129 G130 I132 V158 I159	L39-V141 HydrophobicContact CD2-CG1 3.79Å; L39-V141 HydrophobicContact CD2-CG2 4.24Å; F128-V141 HydrophobicContact CD1-CB 3.94Å; F128-V141 HydrophobicContact CD1-CG1 4.06Å; F128-V141 HydrophobicContact CD1-CG2 4.2Å; F128-V141 HydrophobicContact CE1-CB 4.1Å; F128-V141 HydrophobicContact CE1-CG2 4.16Å; F128-V141 WeakPolarHBondContact O-CG1 3.47Å; E129-V141 CarbonylContact C-O 3.52Å; E129-V141 WeakPolarHBondContact CA-O 3.4Å; G130-V141 PolarHBondContact N-O 2.82Å; G130-V141 PolarHBondContact O-N 3.29Å; I132-V141 HydrophobicContact CD1-CG2 4.01Å; V141-V158 WeakPolarHBondContact CA-O 3.37Å; V141-I159 HydrophobicContact CG2-CB 4.25Å; V141-I159 HydrophobicContact CG2-CD1 3.82Å; V141-I159 HydrophobicContact CG2-CG1 3.91Å
142	E	88.4	Confident	81.6	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.5	-176.1	-69.4	-173	85.4	0	0	111.9	R146 Y147 S157 V158 Y160	E142-R146 IonicContact OE1-CZ 3.29Å; E142-R146 IonicContact OE1-NH1 3.2Å; E142-R146 PolarHBondContact OE1-NH1 3.25Å; E142-Y147 HydrophobicContact CB-CE2 4.04Å; E142-Y147 PolarHBondContact OE1-OH 2.76Å; E142-Y147 PolarHBondContact OE2-OH 2.87Å; E142-S157 CarbonylContact O-C 3.54Å; E142-S157 VanDerWaalsContact O-CA 3.3Å; E142-S157 WeakPolarHBondContact O-CA 3.07Å; E142-V158 HydrophobicContact CB-CG2 4.32Å; E142-V158 PolarHBondContact N-O 2.95Å; E142-V158 WeakPolarHBondContact O-CG2 3.4Å; E142-V158 PolarHBondContact O-N 2.94Å; E142-Y160 WeakPolarHBondContact OE2-CE1 3.47Å; E142-Y160 PolarHBondContact OE2-OH 2.94Å
143	P	87.1	Confident	80.8	Confident	23 Å²	23	47.3 Å²	47.3	15%	0.149	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.8	177.1	25.7	-34.5	0	0	0	111.4	E129 E145 R146	E129-P143 VanDerWaalsContact OE2-CD 3.27Å; E129-P143 WeakPolarHBondContact OE2-CD 3.48Å; E129-P143 WeakPolarHBondContact OE2-CG 2.98Å; P143-E145 WeakPolarHBondContact CB-OE2 3.38Å; P143-E145 PolarHBondContact O-N 2.83Å; P143-R146 HydrophobicContact CG-CB 4.42Å; P143-R146 WeakPolarHBondContact O-CB 3.46Å; P143-R146 PolarHBondContact O-N 3.03Å
144	V	85.4	Confident	80.2	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.042	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.7	-177.2	71.8	0	0	0	0	112.6	R146 Y147 L148 V153 F155 H156 V158	V144-R146 PolarHBondContact O-N 3.38Å; V144-R146 VanDerWaalsContact O-N 3.12Å; V144-Y147 PolarHBondContact O-N 3.5Å; V144-Y147 VanDerWaalsContact O-N 3.08Å; V144-L148 HydrophobicContact CG2-CB 4.06Å; V144-L148 HydrophobicContact CG2-CD1 3.74Å; V144-L148 HydrophobicContact CG2-CG 4.12Å; V144-L148 PolarHBondContact O-N 2.83Å; V144-V153 HydrophobicContact CG1-CG2 4.15Å; V144-V153 HydrophobicContact CG2-CG2 3.93Å; V144-F155 HydrophobicContact CB-CD2 4.3Å; V144-F155 HydrophobicContact CB-CE2 4.33Å; V144-F155 WeakPolarHBondContact CG1-O 3.38Å; V144-F155 HydrophobicContact CG2-CD2 3.87Å; V144-F155 HydrophobicContact CG2-CE2 3.47Å; V144-F155 VanDerWaalsContact CG2-CE2 3.47Å; V144-F155 HydrophobicContact CG2-CZ 4.45Å; V144-H156 WeakPolarHBondContact CG1-O 3.07Å; V144-H156 PolarHBondContact N-O 2.83Å; V144-H156 VanDerWaalsContact N-O 3.16Å; V144-V158 HydrophobicContact CG2-CG1 4.2Å
145	E	81.2	Confident	80	Confident	77 Å²	77	47.1 Å²	47.1	36%	0.36	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-67.7	-8.3	-179.4	-54.6	90.6	156.4	0	0	113.6	K127 P143	K127-E145 IonicContact NZ-OE1 3.75Å; K127-E145 PolarHBondContact NZ-OE1 2.82Å; P143-E145 WeakPolarHBondContact CB-OE2 3.38Å; P143-E145 PolarHBondContact O-N 2.83Å
146	R	79	Confident	80.4	Confident	40 Å²	40	44.4 Å²	44.4	15%	0.151	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-78.7	-17.9	172	-175.8	169.9	-64.3	154.6	11	113.1	E129 E142 P143 V144 Y239	E129-R146 IonicContact OE1-CZ 3.56Å; E129-R146 VanDerWaalsContact OE1-CZ 3.23Å; E129-R146 IonicContact OE1-NH1 3.9Å; E129-R146 PolarHBondContact OE1-NH1 2.87Å; E129-R146 IonicContact OE1-NH2 3.21Å; E129-R146 PolarHBondContact OE1-NH2 2.76Å; E129-R146 IonicContact OE2-CZ 2.72Å; E129-R146 IonicContact OE2-NH1 3.41Å; E129-R146 IonicContact OE2-NH2 2.78Å; E129-R146 PolarHBondContact OE2-NH2 3.43Å; E142-R146 IonicContact OE1-CZ 3.29Å; E142-R146 IonicContact OE1-NH1 3.2Å; E142-R146 PolarHBondContact OE1-NH1 3.25Å; P143-R146 HydrophobicContact CG-CB 4.42Å; P143-R146 WeakPolarHBondContact O-CB 3.46Å; P143-R146 PolarHBondContact O-N 3.03Å; V144-R146 PolarHBondContact O-N 3.38Å; V144-R146 VanDerWaalsContact O-N 3.12Å; R146-Y239 HydrophobicContact CG-CE1 4.12Å; R146-Y239 VanDerWaalsContact CG-OH 3.28Å; R146-Y239 WeakPolarHBondContact CG-OH 3.04Å
147	Y	76.8	Confident	81	Confident	38 Å²	38	42.1 Å²	42.1	15%	0.149	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-34.4	-171.5	-48.5	-81.3	0	0	0	114.4	L29 E142 V144 V158	L29-Y147 HydrophobicContact CD1-CD1 4.26Å; L29-Y147 HydrophobicContact CD1-CD2 3.68Å; L29-Y147 HydrophobicContact CD1-CE2 4.41Å; L29-Y147 HydrophobicContact CD1-CG 3.59Å; L29-Y147 HydrophobicContact CD2-CD1 4.09Å; L29-Y147 HydrophobicContact CD2-CD2 3.76Å; L29-Y147 HydrophobicContact CD2-CE1 3.95Å; L29-Y147 HydrophobicContact CD2-CE2 3.62Å; L29-Y147 HydrophobicContact CD2-CG 3.98Å; L29-Y147 HydrophobicContact CG-CD1 3.62Å; L29-Y147 HydrophobicContact CG-CD2 3.71Å; L29-Y147 HydrophobicContact CG-CE1 3.98Å; L29-Y147 HydrophobicContact CG-CE2 4.07Å; L29-Y147 HydrophobicContact CG-CG 3.45Å; L29-Y147 VanDerWaalsContact CG-CG 3.45Å; E142-Y147 HydrophobicContact CB-CE2 4.04Å; E142-Y147 PolarHBondContact OE1-OH 2.76Å; E142-Y147 PolarHBondContact OE2-OH 2.87Å; V144-Y147 PolarHBondContact O-N 3.5Å; V144-Y147 VanDerWaalsContact O-N 3.08Å; Y147-V158 HydrophobicContact CD2-CG2 4.13Å; Y147-V158 HydrophobicContact CE2-CG2 4.03Å
148	L	75.9	Confident	81.5	Confident	15 Å²	15	41.6 Å²	41.6	8%	0.079	23%	0.229	C	C	.	.	S	Bend	trans	-114	31	-174.6	-54.1	-177.6	0	0	0	111.7	V144 G150 K151 V153 F155	V144-L148 HydrophobicContact CG2-CB 4.06Å; V144-L148 HydrophobicContact CG2-CD1 3.74Å; V144-L148 HydrophobicContact CG2-CG 4.12Å; V144-L148 PolarHBondContact O-N 2.83Å; L148-G150 PolarHBondContact O-N 2.74Å; L148-K151 HydrophobicContact CB-CB 4.34Å; L148-K151 HydrophobicContact CB-CD 4.12Å; L148-K151 HydrophobicContact CD2-CD 4.08Å; L148-K151 WeakPolarHBondContact O-CB 3.43Å; L148-K151 PolarHBondContact O-N 3.17Å; L148-V153 HydrophobicContact CD1-CG1 4.01Å; L148-F155 HydrophobicContact CD1-CE2 4.3Å; L148-F155 HydrophobicContact CD1-CZ 4.18Å
149	E	65.9	Low	81.6	Confident	139 Å²	139	41.1 Å²	41.1	65%	0.65	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	128.2	-179.6	-175.5	158.3	-139.4	0	0	112.1	K151 K241	E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 2.03Å; E149-K241 IonicContact OE1-NZ 3.2Å; E149-K241 PolarHBondContact OE1-NZ 2.91Å; E149-K241 IonicContact OE2-NZ 3.44Å; E149-K241 PolarHBondContact OE2-NZ 2.93Å
150	G	62.2	Low	81.3	Confident	88 Å²	88	40.9 Å²	40.9	91%	0.907	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	1.7	-176.7	0	0	0	0	0	115.7	L148	L148-G150 PolarHBondContact O-N 2.74Å
151	K	69.9	Low	81.1	Confident	120 Å²	120	40.8 Å²	40.8	52%	0.522	23%	0.225	S	C	.	.			trans	-95.9	132.3	168.4	-59.4	178.4	-177.3	172.4	0	109.7	L148 E149 V153	L148-K151 HydrophobicContact CB-CB 4.34Å; L148-K151 HydrophobicContact CB-CD 4.12Å; L148-K151 HydrophobicContact CD2-CD 4.08Å; L148-K151 WeakPolarHBondContact O-CB 3.43Å; L148-K151 PolarHBondContact O-N 3.17Å; E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 2.03Å; K151-V153 HydrophobicContact CB-CG1 4.47Å
152	D	73.5	Confident	80.5	Confident	145 Å²	145	41.9 Å²	41.9	78%	0.775	23%	0.23	S	C	*	.			trans	-68.6	136	164.3	-162.2	-0.5	0	0	0	108.9	H24	H24-D152 PolarHBondContact CE1-O 3Å; H24-D152 PolarHBondContact ND1-O 3.47Å; H24-D152 VanDerWaalsContact ND1-O 3.08Å
153	V	77.3	Confident	80	Confident	31 Å²	31	46 Å²	46	19%	0.188	25%	0.252	C	S	.	.			trans	-155.6	142.9	-174	-77	0	0	0	0	110.7	V144 L148 K151 F155	V144-V153 HydrophobicContact CG1-CG2 4.15Å; V144-V153 HydrophobicContact CG2-CG2 3.93Å; L148-V153 HydrophobicContact CD1-CG1 4.01Å; K151-V153 HydrophobicContact CB-CG1 4.47Å; V153-F155 HydrophobicContact CB-CE1 4.36Å; V153-F155 HydrophobicContact CB-CZ 4.36Å; V153-F155 HydrophobicContact CG1-CZ 4.31Å; V153-F155 PolarHBondContact O-N 3.38Å
154	P	77.2	Confident	79.5	Confident	76 Å²	76	45.7 Å²	45.7	49%	0.494	25%	0.25	S	C	.	.	S	Bend	trans	-85	13.1	-172.5	35.9	-36.7	0	0	0	113.9	H24 S40	H24-P154 HydrophobicContact CB-CG 4.43Å; S40-P154 PolarHBondContact OG-O 2.96Å
155	F	83	Confident	78.9	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.053	25%	0.249	C	C	.	.			trans	-139.3	143.3	-178.1	54.3	-96.8	0	0	0	111.1	H24 Y36 G38 S40 V144 L148 V153 S157 V158	H24-F155 HydrophobicContact CB-CE1 4.32Å; H24-F155 WeakPolarHBondContact O-CE1 3.28Å; Y36-F155 HydrophobicContact CE2-CE2 4.24Å; Y36-F155 AromaticContact CE2-CZ 3.99Å; Y36-F155 HydrophobicContact CE2-CZ 3.99Å; G38-F155 VanDerWaalsContact CA-CG 3.45Å; S40-F155 WeakPolarHBondContact OG-CA 3.34Å; S40-F155 VanDerWaalsContact OG-CB 3.22Å; S40-F155 WeakPolarHBondContact OG-CB 3.31Å; V144-F155 HydrophobicContact CB-CD2 4.3Å; V144-F155 HydrophobicContact CB-CE2 4.33Å; V144-F155 WeakPolarHBondContact CG1-O 3.38Å; V144-F155 HydrophobicContact CG2-CD2 3.87Å; V144-F155 HydrophobicContact CG2-CE2 3.47Å; V144-F155 VanDerWaalsContact CG2-CE2 3.47Å; V144-F155 HydrophobicContact CG2-CZ 4.45Å; L148-F155 HydrophobicContact CD1-CE2 4.3Å; L148-F155 HydrophobicContact CD1-CZ 4.18Å; V153-F155 HydrophobicContact CB-CE1 4.36Å; V153-F155 HydrophobicContact CB-CZ 4.36Å; V153-F155 HydrophobicContact CG1-CZ 4.31Å; V153-F155 PolarHBondContact O-N 3.38Å; F155-S157 VanDerWaalsContact CD2-O 3.22Å; F155-S157 WeakPolarHBondContact CD2-O 3.38Å; F155-V158 HydrophobicContact CD2-CG1 4.14Å; F155-V158 HydrophobicContact CE2-CG1 3.58Å
156	H	86.5	Confident	78.2	Confident	29 Å²	29	46 Å²	46	13%	0.134	25%	0.25	C	S	.	.	S	Bend	trans	-94.2	-17.5	-176.5	55.9	63.6	0	0	0	113.5	L39 Y41 K127 V144	L39-H156 PolarHBondContact O-CE1 2.85Å; Y41-H156 AromaticContact CE1-CE1 3.67Å; Y41-H156 AromaticContact CE2-CE1 3.78Å; Y41-H156 AromaticContact CZ-CE1 3.5Å; Y41-H156 VanDerWaalsContact CZ-CE1 3.5Å; Y41-H156 PolarHBondContact N-NE2 3.38Å; Y41-H156 VanDerWaalsContact N-NE2 3.14Å; Y41-H156 PolarHBondContact O-NE2 3.43Å; K127-H156 HydrophobicContact CD-CB 4.12Å; K127-H156 HydrophobicContact CG-CB 4.4Å; V144-H156 WeakPolarHBondContact CG1-O 3.07Å; V144-H156 PolarHBondContact N-O 2.83Å; V144-H156 VanDerWaalsContact N-O 3.16Å
157	S	89	Confident	77.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.7	-178.6	-62.8	0	0	0	0	110	L39 E142 F155	L39-S157 PolarHBondContact N-O 3.49Å; L39-S157 PolarHBondContact O-N 3.25Å; E142-S157 CarbonylContact O-C 3.54Å; E142-S157 VanDerWaalsContact O-CA 3.3Å; E142-S157 WeakPolarHBondContact O-CA 3.07Å; F155-S157 VanDerWaalsContact CD2-O 3.22Å; F155-S157 WeakPolarHBondContact CD2-O 3.38Å
158	V	88.7	Confident	75.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.8	170.6	-70.7	0	0	0	0	109.4	L29 Y36 E37 V141 E142 V144 Y147 F155	L29-V158 HydrophobicContact CD1-CB 4.37Å; L29-V158 HydrophobicContact CD1-CG1 4.06Å; L29-V158 HydrophobicContact CD1-CG2 4.08Å; L29-V158 HydrophobicContact CD2-CB 4.44Å; L29-V158 HydrophobicContact CD2-CG2 3.72Å; Y36-V158 HydrophobicContact CD2-CB 3.95Å; Y36-V158 HydrophobicContact CD2-CG1 3.59Å; Y36-V158 HydrophobicContact CE2-CG1 3.71Å; Y36-V158 HydrophobicContact CG-CB 4.43Å; Y36-V158 HydrophobicContact CG-CG1 4.39Å; E37-V158 WeakPolarHBondContact O-CA 3.47Å; V141-V158 WeakPolarHBondContact CA-O 3.37Å; E142-V158 HydrophobicContact CB-CG2 4.32Å; E142-V158 PolarHBondContact N-O 2.95Å; E142-V158 WeakPolarHBondContact O-CG2 3.4Å; E142-V158 PolarHBondContact O-N 2.94Å; V144-V158 HydrophobicContact CG2-CG1 4.2Å; Y147-V158 HydrophobicContact CD2-CG2 4.13Å; Y147-V158 HydrophobicContact CE2-CG2 4.03Å; F155-V158 HydrophobicContact CD2-CG1 4.14Å; F155-V158 HydrophobicContact CE2-CG1 3.58Å
159	I	89.3	Confident	74.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131	176.9	-173.2	173.6	0	0	0	111.5	Y36 E37 L39 F68 A70 H71 Y140 V141	Y36-I159 WeakPolarHBondContact CA-O 3.33Å; E37-I159 HydrophobicContact CB-CG2 4.05Å; E37-I159 PolarHBondContact N-O 2.71Å; E37-I159 PolarHBondContact O-N 2.84Å; L39-I159 HydrophobicContact CB-CB 4.46Å; L39-I159 HydrophobicContact CB-CG2 4.01Å; L39-I159 HydrophobicContact CD2-CB 4.28Å; L39-I159 HydrophobicContact CD2-CG2 4.39Å; F68-I159 HydrophobicContact CE2-CD1 3.75Å; F68-I159 HydrophobicContact CZ-CD1 4.22Å; A70-I159 HydrophobicContact CB-CD1 3.96Å; A70-I159 HydrophobicContact CB-CG2 3.65Å; H71-I159 PolarHBondContact NE2-O 3.36Å; Y140-I159 VanDerWaalsContact O-CA 3.31Å; Y140-I159 WeakPolarHBondContact O-CA 3.47Å; V141-I159 HydrophobicContact CG2-CB 4.25Å; V141-I159 HydrophobicContact CG2-CD1 3.82Å; V141-I159 HydrophobicContact CG2-CG1 3.91Å
160	Y	86.3	Confident	72.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.4	-179.1	59.9	-86.7	0	0	0	111	L29 I33 H35 Y139 Y140 E142 I165 P378	L29-Y160 HydrophobicContact CD2-CD1 4.23Å; L29-Y160 HydrophobicContact CD2-CE1 4.21Å; I33-Y160 HydrophobicContact CD1-CD1 4.39Å; I33-Y160 HydrophobicContact CD1-CD2 4.38Å; I33-Y160 HydrophobicContact CD1-CE1 3.79Å; I33-Y160 HydrophobicContact CD1-CE2 3.76Å; I33-Y160 VanDerWaalsContact CD1-CZ 3.43Å; I33-Y160 HydrophobicContact CG1-CD2 4.2Å; I33-Y160 HydrophobicContact CG1-CE2 3.87Å; I33-Y160 HydrophobicContact CG2-CD1 4.09Å; I33-Y160 HydrophobicContact CG2-CD2 3.92Å; I33-Y160 HydrophobicContact CG2-CE2 4.39Å; I33-Y160 HydrophobicContact CG2-CG 3.75Å; H35-Y160 WeakPolarHBondContact O-CB 3.47Å; Y139-Y160 WeakPolarHBondContact CA-O 3.26Å; Y140-Y160 VanDerWaalsContact CB-CZ 3.47Å; Y140-Y160 HydrophobicContact CD2-CD2 4.4Å; Y140-Y160 AromaticContact CD2-CE2 3.87Å; Y140-Y160 HydrophobicContact CD2-CE2 3.87Å; Y140-Y160 HydrophobicContact CG-CE2 4.07Å; Y140-Y160 PolarHBondContact N-O 2.96Å; Y140-Y160 PolarHBondContact O-N 2.94Å; E142-Y160 WeakPolarHBondContact OE2-CE1 3.47Å; E142-Y160 PolarHBondContact OE2-OH 2.94Å; Y160-I165 HydrophobicContact CD2-CD1 4.26Å; Y160-I165 HydrophobicContact CD2-CG1 3.9Å; Y160-I165 HydrophobicContact CE2-CD1 3.73Å; Y160-I165 HydrophobicContact CE2-CG1 3.71Å; Y160-P378 WeakPolarHBondContact OH-CD 3.27Å
161	H	86.6	Confident	72	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.06	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	159.8	177.4	-165.1	-121.9	0	0	0	111.1	H136 G137 T138 Y139 D163 D164	H136-H161 PolarHBondContact O-CE1 3.08Å; G137-H161 VanDerWaalsContact C-NE2 3.32Å; G137-H161 WeakPolarHBondContact CA-NE2 3.29Å; T138-H161 PolarHBondContact N-NE2 2.64Å; T138-H161 PolarHBondContact O-CD2 2.68Å; T138-H161 VanDerWaalsContact O-CD2 3.29Å; Y139-H161 HydrophobicContact CD1-CB 4.13Å; Y139-H161 AromaticContact CD1-CD2 3.59Å; Y139-H161 HydrophobicContact CE1-CB 4.1Å; Y139-H161 AromaticContact CE1-CD2 3.4Å; Y139-H161 VanDerWaalsContact CE1-CD2 3.4Å; Y139-H161 WeakPolarHBondContact CE1-CD2 3.31Å; Y139-H161 AromaticContact CE1-CG 3.97Å; Y139-H161 AromaticContact CE2-CD2 3.85Å; Y139-H161 AromaticContact CG-CD2 3.9Å; Y139-H161 AromaticContact CZ-CD2 3.55Å; H161-D163 IonicContact CE1-OD2 3.42Å; H161-D163 PolarHBondContact CE1-OD2 2.9Å; H161-D163 IonicContact ND1-OD2 3.34Å; H161-D163 PolarHBondContact ND1-OD2 3.22Å; H161-D163 PolarHBondContact O-N 3.02Å; H161-D163 VanDerWaalsContact O-N 3.15Å; H161-D164 PolarHBondContact N-OD2 2.7Å; H161-D164 WeakPolarHBondContact O-CB 3.27Å; H161-D164 PolarHBondContact O-N 3.17Å
162	E	80.9	Confident	70.2	Confident	22 Å²	22	46.3 Å²	46.3	10%	0.103	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.3	-179.2	69.2	173.4	127.2	0	0	115.2	G137 T138 Y140 K379	G137-E162 WeakPolarHBondContact CA-OE1 3.13Å; T138-E162 VanDerWaalsContact CB-OE1 3.31Å; T138-E162 WeakPolarHBondContact CB-OE1 3.43Å; T138-E162 PolarHBondContact N-OE1 3.39Å; T138-E162 VanDerWaalsContact O-CB 3.3Å; T138-E162 WeakPolarHBondContact O-CB 3.27Å; T138-E162 PolarHBondContact O-N 2.74Å; T138-E162 PolarHBondContact OG1-OE1 2.78Å; Y140-E162 HydrophobicContact CE2-CB 4.12Å; E162-K379 HydrophobicContact CB-CD 3.85Å; E162-K379 PolarHBondContact O-NZ 3.03Å; E162-K379 WeakPolarHBondContact OE2-CE 3.48Å; E162-K379 IonicContact OE2-NZ 2.54Å; E162-K379 PolarHBondContact OE2-NZ 2.83Å
163	D	77.6	Confident	68.3	Low	91 Å²	91	45.2 Å²	45.2	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-23.4	172.7	-57.8	-46.6	0	0	0	113	H161 I165	H161-D163 IonicContact CE1-OD2 3.42Å; H161-D163 PolarHBondContact CE1-OD2 2.9Å; H161-D163 IonicContact ND1-OD2 3.34Å; H161-D163 PolarHBondContact ND1-OD2 3.22Å; H161-D163 PolarHBondContact O-N 3.02Å; H161-D163 VanDerWaalsContact O-N 3.15Å; D163-I165 PolarHBondContact O-N 3.27Å
164	D	77.5	Confident	66.3	Low	17 Å²	17	51.7 Å²	51.7	9%	0.091	27%	0.271	C	S	.	.	S	Bend	trans	-72.2	-12.8	175.8	-59.5	-47.5	0	0	0	111.9	R34 H35 H71 H161 H166	R34-D164 PolarHBondContact N-O 3.35Å; H35-D164 HydrophobicContact CB-CB 4.13Å; H35-D164 IonicContact CD2-OD1 2.71Å; H35-D164 IonicContact CD2-OD2 2.72Å; H35-D164 IonicContact CG-OD1 2.66Å; H71-D164 IonicContact CE1-OD2 3.07Å; H71-D164 PolarHBondContact CE1-OD2 3.37Å; H161-D164 PolarHBondContact N-OD2 2.7Å; H161-D164 WeakPolarHBondContact O-CB 3.27Å; H161-D164 PolarHBondContact O-N 3.17Å; D164-H166 PolarHBondContact O-N 3.33Å
165	I	72.9	Confident	64.5	Low	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-82.4	100.3	177.3	-52	174.9	0	0	0	109.3	Y140 Y160 D163 P377 K379	Y140-I165 HydrophobicContact CD2-CD1 4.1Å; Y140-I165 HydrophobicContact CE2-CD1 3.97Å; Y160-I165 HydrophobicContact CD2-CD1 4.26Å; Y160-I165 HydrophobicContact CD2-CG1 3.9Å; Y160-I165 HydrophobicContact CE2-CD1 3.73Å; Y160-I165 HydrophobicContact CE2-CG1 3.71Å; D163-I165 PolarHBondContact O-N 3.27Å; I165-P377 HydrophobicContact CD1-CB 4.33Å; I165-P377 HydrophobicContact CG2-CB 3.96Å; I165-P377 HydrophobicContact CG2-CG 3.7Å; I165-K379 HydrophobicContact CD1-CB 3.72Å; I165-K379 HydrophobicContact CD1-CD 3.77Å; I165-K379 HydrophobicContact CD1-CG 4.4Å
166	H	65.4	Low	63.1	Low	85 Å²	85	48.9 Å²	48.9	39%	0.394	26%	0.258	S	S	.	.			trans	-114.5	105.4	177.6	-167.7	88.7	0	0	0	111.2	Y32 R34 D164 P168	Y32-H166 PolarHBondContact O-N 2.78Å; R34-H166 HydrophobicContact CG-CB 4.19Å; R34-H166 PolarHBondContact NH1-CD2 3.45Å; R34-H166 VanDerWaalsContact NH1-CG 3.33Å; R34-H166 PolarHBondContact NH1-ND1 3.27Å; R34-H166 PolarHBondContact NH2-CD2 3.45Å; R34-H166 PolarHBondContact NH2-NE2 3.01Å; D164-H166 PolarHBondContact O-N 3.33Å; H166-P168 VanDerWaalsContact O-CD 3.23Å; H166-P168 WeakPolarHBondContact O-CD 3.17Å
167	Y	57.3	Low	61.6	Low	14 Å²	14	49 Å²	49	6%	0.055	26%	0.263	C	S	.	.			trans	-69.1	110.1	173.7	-148.4	-96.4	0	0	0	109.6	Y32 H169 Y171 N371 V376 V380	Y32-Y167 AromaticContact CD1-CD2 3.54Å; Y32-Y167 HydrophobicContact CD1-CD2 3.54Å; Y32-Y167 AromaticContact CD1-CE2 3.8Å; Y32-Y167 HydrophobicContact CD1-CE2 3.8Å; Y32-Y167 HydrophobicContact CD1-CG 4.19Å; Y32-Y167 HydrophobicContact CE1-CD1 4.41Å; Y32-Y167 AromaticContact CE1-CD2 3.29Å; Y32-Y167 HydrophobicContact CE1-CD2 3.29Å; Y32-Y167 HydrophobicContact CE1-CE1 4.25Å; Y32-Y167 AromaticContact CE1-CE2 3.07Å; Y32-Y167 HydrophobicContact CE1-CE2 3.07Å; Y32-Y167 AromaticContact CE1-CG 3.96Å; Y32-Y167 HydrophobicContact CE1-CG 3.96Å; Y32-Y167 AromaticContact CE1-CZ 3.58Å; Y32-Y167 AromaticContact CZ-CE2 3.51Å; Y32-Y167 AromaticContact CZ-CZ 3.94Å; Y32-Y167 PolarHBondContact OH-OH 2.61Å; Y167-H169 VanDerWaalsContact C-N 3.26Å; Y167-H169 HydrophobicContact CD1-CB 3.85Å; Y167-H169 AromaticContact CD1-CD2 3.94Å; Y167-H169 HydrophobicContact CE1-CB 3.8Å; Y167-H169 AromaticContact CE1-CD2 3.52Å; Y167-H169 AromaticContact CE1-CG 3.93Å; Y167-H169 PolarHBondContact O-N 3.36Å; Y167-Y171 AromaticContact CD1-CE1 3.87Å; Y167-Y171 HydrophobicContact CD1-CE1 3.87Å; Y167-Y171 AromaticContact CD1-CZ 3.66Å; Y167-Y171 WeakPolarHBondContact CD1-OH 3.3Å; Y167-Y171 AromaticContact CE1-CE1 3.93Å; Y167-Y171 HydrophobicContact CE1-CE1 3.93Å; Y167-N371 WeakPolarHBondContact OH-CB 3.2Å; Y167-N371 PolarHBondContact OH-ND2 2.84Å; Y167-V376 HydrophobicContact CE2-CG1 4.47Å; Y167-V380 HydrophobicContact CD2-CG2 4.43Å
168	P	45.6	Very low	60.1	Low	59 Å²	59	49.4 Å²	49.4	38%	0.383	27%	0.266	S	S	.	.			trans	-75.6	-17.8	-168.4	31.8	-36.8	0	0	0	112.8	Y32 H166 K170	Y32-P168 VanDerWaalsContact CD1-CD 3.49Å; Y32-P168 HydrophobicContact CD1-CG 4.47Å; H166-P168 VanDerWaalsContact O-CD 3.23Å; H166-P168 WeakPolarHBondContact O-CD 3.17Å; P168-K170 PolarHBondContact O-N 3.38Å
169	H	46.7	Very low	58.7	Low	60 Å²	60	53 Å²	53	28%	0.278	29%	0.285	S	S	.	.	S	Bend	trans	-71.8	93.1	173.2	-54.5	-95.9	0	0	0	108.7	Y167 Y171 Y372	Y167-H169 VanDerWaalsContact C-N 3.26Å; Y167-H169 HydrophobicContact CD1-CB 3.85Å; Y167-H169 AromaticContact CD1-CD2 3.94Å; Y167-H169 HydrophobicContact CE1-CB 3.8Å; Y167-H169 AromaticContact CE1-CD2 3.52Å; Y167-H169 AromaticContact CE1-CG 3.93Å; Y167-H169 PolarHBondContact O-N 3.36Å; H169-Y171 PolarHBondContact O-N 3.38Å; H169-Y372 AromaticContact CE1-CD2 3.24Å; H169-Y372 WeakPolarHBondContact CE1-CD2 2.98Å; H169-Y372 AromaticContact CE1-CE2 4Å; H169-Y372 AromaticContact CE1-CG 3.84Å; H169-Y372 AromaticContact ND1-CD2 3.63Å; H169-Y372 AromaticContact ND1-CE2 3.91Å; H169-Y372 AromaticContact NE2-CD2 3.75Å
170	K	35.8	Very low	57.6	Low	203 Å²	203	57.1 Å²	57.1	88%	0.883	31%	0.314	S	S	*	.			trans	-51.7	113	158.8	-76.1	177.5	177.5	172.2	0	107.1	P168 G172	P168-K170 PolarHBondContact O-N 3.38Å; K170-G172 PolarHBondContact O-N 2.04Å
171	Y	44	Very low	56.8	Low	74 Å²	74	59.9 Å²	59.9	29%	0.29	33%	0.333	S	S	.	.			trans	-63.5	97.1	-175.9	-59	-68.8	0	0	0	111	Y167 H169 A425 T426 S427	Y167-Y171 AromaticContact CD1-CE1 3.87Å; Y167-Y171 HydrophobicContact CD1-CE1 3.87Å; Y167-Y171 AromaticContact CD1-CZ 3.66Å; Y167-Y171 WeakPolarHBondContact CD1-OH 3.3Å; Y167-Y171 AromaticContact CE1-CE1 3.93Å; Y167-Y171 HydrophobicContact CE1-CE1 3.93Å; H169-Y171 PolarHBondContact O-N 3.38Å; Y171-A425 HydrophobicContact CD1-CB 4.01Å; Y171-A425 WeakPolarHBondContact CD2-O 3.3Å; Y171-A425 HydrophobicContact CE1-CB 3.41Å; Y171-A425 VanDerWaalsContact CE1-CB 3.41Å; Y171-A425 VanDerWaalsContact CE2-O 3.28Å; Y171-A425 WeakPolarHBondContact CE2-O 3Å; Y171-T426 VanDerWaalsContact OH-C 3.24Å; Y171-T426 PolarHBondContact OH-O 3.25Å; Y171-S427 PolarHBondContact OH-N 2.68Å
172	G	33.8	Very low	56.1	Low	37 Å²	37	59.9 Å²	59.9	38%	0.381	33%	0.334	S	S	.	.			trans	-70.5	-177.7	160.8	0	0	0	0	0	110.9	K170 E174	K170-G172 PolarHBondContact O-N 2.04Å; G172-E174 PolarHBondContact O-N 3.47Å; G172-E174 VanDerWaalsContact O-N 3.1Å
173	P	32.5	Very low	55.7	Low	122 Å²	122	61 Å²	61	79%	0.792	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-7.3	-180	26.1	-32.2	0	0	0	114.6
174	E	35.8	Very low	55.7	Low	168 Å²	168	62.1 Å²	62.1	79%	0.785	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	10.6	-166.7	-62.9	169.9	-179.3	0	0	114.4	G172	G172-E174 PolarHBondContact O-N 3.47Å; G172-E174 VanDerWaalsContact O-N 3.1Å
175	G	40.2	Very low	55.8	Low	16 Å²	16	67.8 Å²	67.8	17%	0.165	36%	0.361	C	S	.	.	S	Bend	trans	-132.3	107.5	179.3	0	0	0	0	0	112.8
176	G	53.5	Low	56.4	Low	12 Å²	12	68.3 Å²	68.3	12%	0.124	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-177.5	-150.4	-173.6	0	0	0	0	0	114.5
177	C	54.1	Low	57.3	Low	33 Å²	33	71.2 Å²	71.2	22%	0.223	38%	0.375	C	S	.	.	S	Bend	trans	-67	162	171	-59.1	0	0	0	0	110.7	F183 H387 H397 A423	C177-F183 HydrophobicContact CB-CE2 3.94Å; C177-F183 HydrophobicContact CB-CZ 4.14Å; C177-H387 PolarHBondContact SG-NE2 3.24Å; C177-H387 VanDerWaalsContact SG-NE2 3.37Å; C177-H397 PolarHBondContact SG-NE2 3.39Å; C177-A423 PolarHBondContact N-O 3.33Å; C177-A423 PolarHBondContact SG-O 2.79Å; C177-A423 VanDerWaalsContact SG-O 3.4Å
178	A	56.7	Low	58.5	Low	8 Å²	8	77 Å²	77	7%	0.066	40%	0.4	C	S	.	.	S	Bend	trans	-52.4	152.6	179.7	0	0	0	0	0	113	V182 F183 V331 L334	A178-V182 HydrophobicContact CB-CB 4.23Å; A178-V182 HydrophobicContact CB-CG1 4.19Å; A178-V182 HydrophobicContact CB-CG2 4.45Å; A178-F183 HydrophobicContact CB-CE2 4.45Å; A178-F183 VanDerWaalsContact O-CD2 3.27Å; A178-F183 WeakPolarHBondContact O-CD2 3.25Å; A178-F183 WeakPolarHBondContact O-CE2 3.06Å; A178-V331 HydrophobicContact CB-CG1 4.27Å; A178-V331 HydrophobicContact CB-CG2 4.14Å; A178-L334 HydrophobicContact CB-CD1 3.9Å
179	D	61	Low	60.4	Low	76 Å²	76	75.8 Å²	75.8	41%	0.406	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53.5	146.8	-174.1	170.7	-113.4	0	0	0	113.5	S181 V182 F183	D179-S181 PolarHBondContact O-N 2.74Å; D179-S181 WeakPolarHBondContact OD1-CB 3.49Å; D179-S181 PolarHBondContact OD1-N 2.78Å; D179-S181 PolarHBondContact OD1-OG 3.21Å; D179-V182 WeakPolarHBondContact O-CA 3.36Å; D179-V182 VanDerWaalsContact O-CB 3.23Å; D179-V182 WeakPolarHBondContact O-CB 3.25Å; D179-V182 PolarHBondContact O-N 2.84Å; D179-F183 PolarHBondContact O-N 3.27Å
180	S	65.2	Low	62.2	Low	86 Å²	86	73.3 Å²	73.3	60%	0.601	38%	0.377	S	S	*	.	H	α-helix	trans	-42.2	-38.2	172.4	61.2	0	0	0	0	114.8	F183 E184	S180-F183 PolarHBondContact O-N 2.89Å; S180-E184 PolarHBondContact O-N 3.21Å
181	S	69.9	Low	64.6	Low	57 Å²	57	67.4 Å²	67.4	40%	0.399	36%	0.357	S	S	.	.	H	α-helix	trans	-70.6	-28.9	177.3	74.3	0	0	0	0	113.2	D179 R185	D179-S181 PolarHBondContact O-N 2.74Å; D179-S181 WeakPolarHBondContact OD1-CB 3.49Å; D179-S181 PolarHBondContact OD1-N 2.78Å; D179-S181 PolarHBondContact OD1-OG 3.21Å; S181-R185 WeakPolarHBondContact O-CB 2.97Å; S181-R185 WeakPolarHBondContact O-CD 3.4Å; S181-R185 WeakPolarHBondContact O-CG 3.42Å; S181-R185 PolarHBondContact O-N 3.25Å
182	V	71.5	Confident	66.5	Low	13 Å²	13	66.4 Å²	66.4	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-49.9	171.5	176.6	0	0	0	0	109.6	A178 D179 E184 R185 M186 E302 L334	A178-V182 HydrophobicContact CB-CB 4.23Å; A178-V182 HydrophobicContact CB-CG1 4.19Å; A178-V182 HydrophobicContact CB-CG2 4.45Å; D179-V182 WeakPolarHBondContact O-CA 3.36Å; D179-V182 VanDerWaalsContact O-CB 3.23Å; D179-V182 WeakPolarHBondContact O-CB 3.25Å; D179-V182 PolarHBondContact O-N 2.84Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.19Å; V182-R185 PolarHBondContact O-N 3.13Å; V182-R185 VanDerWaalsContact O-N 3.14Å; V182-M186 HydrophobicContact CG1-CG 4.41Å; V182-M186 HydrophobicContact CG1-SD 3.89Å; V182-M186 WeakPolarHBondContact O-CG 3.18Å; V182-M186 PolarHBondContact O-N 2.81Å; V182-E302 HydrophobicContact CG1-CG 3.6Å; V182-E302 HydrophobicContact CG2-CG 4.23Å; V182-L334 HydrophobicContact CG1-CD2 4.45Å
183	F	73	Confident	68.4	Low	45 Å²	45	65.6 Å²	65.6	20%	0.197	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-39.2	176.2	-78.1	-74.2	0	0	0	112.5	C177 A178 D179 S180 K187 L334 H391 H397	C177-F183 HydrophobicContact CB-CE2 3.94Å; C177-F183 HydrophobicContact CB-CZ 4.14Å; A178-F183 HydrophobicContact CB-CE2 4.45Å; A178-F183 VanDerWaalsContact O-CD2 3.27Å; A178-F183 WeakPolarHBondContact O-CD2 3.25Å; A178-F183 WeakPolarHBondContact O-CE2 3.06Å; D179-F183 PolarHBondContact O-N 3.27Å; S180-F183 PolarHBondContact O-N 2.89Å; F183-K187 VanDerWaalsContact O-CB 3.3Å; F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 3.22Å; F183-L334 HydrophobicContact CZ-CD1 4.45Å; F183-H391 AromaticContact CE1-NE2 3.86Å; F183-H391 AromaticContact CZ-NE2 3.89Å; F183-H397 AromaticContact CE2-CE1 3.87Å; F183-H397 AromaticContact CZ-CE1 3.65Å
184	E	76.4	Confident	69.9	Low	115 Å²	115	61.3 Å²	61.3	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-43.8	172.3	-84.7	-153.5	-169.4	0	0	113.2	S180 V182 K187 K188	S180-E184 PolarHBondContact O-N 3.21Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.19Å; E184-K187 PolarHBondContact O-N 2.85Å; E184-K188 WeakPolarHBondContact O-CB 3.3Å; E184-K188 WeakPolarHBondContact O-CD 3.08Å; E184-K188 VanDerWaalsContact O-CG 3.23Å; E184-K188 WeakPolarHBondContact O-CG 3.44Å; E184-K188 PolarHBondContact O-N 3.39Å; E184-K188 WeakPolarHBondContact OE2-CE 3.03Å; E184-K188 IonicContact OE2-NZ 2.61Å; E184-K188 PolarHBondContact OE2-NZ 3.17Å
185	R	81.1	Confident	70.9	Confident	137 Å²	137	60.1 Å²	60.1	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-45.7	177	-77	161	60.1	-142.4	-5	110.8	S181 V182 K188 Y189 E302	S181-R185 WeakPolarHBondContact O-CB 2.97Å; S181-R185 WeakPolarHBondContact O-CD 3.4Å; S181-R185 WeakPolarHBondContact O-CG 3.42Å; S181-R185 PolarHBondContact O-N 3.25Å; V182-R185 PolarHBondContact O-N 3.13Å; V182-R185 VanDerWaalsContact O-N 3.14Å; R185-K188 PolarHBondContact O-N 2.94Å; R185-Y189 WeakPolarHBondContact O-CB 3.32Å; R185-Y189 PolarHBondContact O-N 3.08Å; R185-E302 IonicContact CZ-OE1 2.94Å; R185-E302 VanDerWaalsContact CZ-OE1 3.3Å; R185-E302 IonicContact NH1-OE1 3.75Å; R185-E302 PolarHBondContact NH1-OE1 3.02Å; R185-E302 IonicContact NH2-OE1 2.69Å; R185-E302 PolarHBondContact NH2-OE1 2.82Å
186	M	84.5	Confident	71.1	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.069	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-49.4	175.9	-71.3	176.4	70.7	0	0	111.3	V182 K188 Y189 Q190 L305 L334 A335 W336	V182-M186 HydrophobicContact CG1-CG 4.41Å; V182-M186 HydrophobicContact CG1-SD 3.89Å; V182-M186 WeakPolarHBondContact O-CG 3.18Å; V182-M186 PolarHBondContact O-N 2.81Å; M186-K188 VanDerWaalsContact C-N 3.35Å; M186-K188 PolarHBondContact O-N 2.91Å; M186-Y189 WeakPolarHBondContact O-CA 3.41Å; M186-Y189 WeakPolarHBondContact O-CB 3.46Å; M186-Y189 PolarHBondContact O-N 2.96Å; M186-Q190 WeakPolarHBondContact O-CG 3.45Å; M186-Q190 PolarHBondContact O-N 3.47Å; M186-L305 HydrophobicContact CE-CD2 3.62Å; M186-L334 HydrophobicContact CE-CG 4.28Å; M186-L334 HydrophobicContact SD-CD1 4.05Å; M186-L334 HydrophobicContact SD-CD2 4.01Å; M186-L334 HydrophobicContact SD-CG 4.14Å; M186-A335 VanDerWaalsContact CE-O 3.31Å; M186-A335 WeakPolarHBondContact CE-O 3.32Å; M186-W336 HydrophobicContact CB-CE3 4.09Å; M186-W336 HydrophobicContact CB-CH2 4.42Å; M186-W336 HydrophobicContact CB-CZ3 3.64Å; M186-W336 HydrophobicContact CE-CD2 3.68Å; M186-W336 HydrophobicContact CE-CE3 3.56Å; M186-W336 HydrophobicContact CE-CG 4.23Å; M186-W336 HydrophobicContact CE-CH2 4.35Å; M186-W336 HydrophobicContact CE-CZ2 4.42Å; M186-W336 HydrophobicContact CE-CZ3 3.93Å; M186-W336 HydrophobicContact CG-CE3 4.33Å; M186-W336 HydrophobicContact CG-CH2 4.11Å; M186-W336 HydrophobicContact CG-CZ3 3.79Å
187	K	83.8	Confident	70.4	Confident	146 Å²	146	72.9 Å²	72.9	64%	0.635	38%	0.383	S	S	*	.	H	α-helix	trans	-58.7	-42.3	178.3	-173.5	176.3	-177.9	178.3	0	112.9	F183 E184 Y189 Q190 V191	F183-K187 VanDerWaalsContact O-CB 3.3Å; F183-K187 WeakPolarHBondContact O-CB 3.13Å; F183-K187 PolarHBondContact O-N 3.22Å; E184-K187 PolarHBondContact O-N 2.85Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; K187-Q190 PolarHBondContact O-N 2.96Å; K187-V191 WeakPolarHBondContact O-CG2 3.31Å; K187-V191 PolarHBondContact O-N 2.86Å
188	K	84.4	Confident	69.6	Low	135 Å²	135	82.2 Å²	82.2	59%	0.587	41%	0.413	S	S	*	.	H	α-helix	trans	-63.1	-39.7	175.3	-70.7	162.1	-168.5	166.7	0	111.3	E184 R185 M186 S192	E184-K188 WeakPolarHBondContact O-CB 3.3Å; E184-K188 WeakPolarHBondContact O-CD 3.08Å; E184-K188 VanDerWaalsContact O-CG 3.23Å; E184-K188 WeakPolarHBondContact O-CG 3.44Å; E184-K188 PolarHBondContact O-N 3.39Å; E184-K188 WeakPolarHBondContact OE2-CE 3.03Å; E184-K188 IonicContact OE2-NZ 2.61Å; E184-K188 PolarHBondContact OE2-NZ 3.17Å; R185-K188 PolarHBondContact O-N 2.94Å; M186-K188 VanDerWaalsContact C-N 3.35Å; M186-K188 PolarHBondContact O-N 2.91Å; K188-S192 PolarHBondContact O-N 3.18Å
189	Y	84.6	Confident	68.5	Low	34 Å²	34	91.4 Å²	91.4	13%	0.133	45%	0.452	C	S	.	.	H	α-helix	trans	-66.6	-44.3	175.9	-173.6	-87.1	0	0	0	112.9	R185 M186 K187 V191 S192 W336 Y354 D356 K360 L362	R185-Y189 WeakPolarHBondContact O-CB 3.32Å; R185-Y189 PolarHBondContact O-N 3.08Å; M186-Y189 WeakPolarHBondContact O-CA 3.41Å; M186-Y189 WeakPolarHBondContact O-CB 3.46Å; M186-Y189 PolarHBondContact O-N 2.96Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-V191 VanDerWaalsContact C-N 3.29Å; Y189-V191 PolarHBondContact O-N 2.94Å; Y189-S192 WeakPolarHBondContact O-CB 3.44Å; Y189-S192 PolarHBondContact O-N 3.12Å; Y189-S192 PolarHBondContact O-OG 3.2Å; Y189-W336 AromaticContact CD1-CH2 3.63Å; Y189-W336 HydrophobicContact CD1-CH2 3.63Å; Y189-W336 AromaticContact CD1-CZ3 3.89Å; Y189-W336 HydrophobicContact CD1-CZ3 3.89Å; Y189-W336 HydrophobicContact CE1-CH2 4.11Å; Y189-W336 HydrophobicContact CG-CH2 4.26Å; Y189-Y354 HydrophobicContact CD1-CD1 4.03Å; Y189-Y354 AromaticContact CE1-CD1 3.54Å; Y189-Y354 HydrophobicContact CE1-CD1 3.54Å; Y189-Y354 HydrophobicContact CE1-CD2 4.32Å; Y189-Y354 HydrophobicContact CE1-CE1 4.22Å; Y189-Y354 AromaticContact CE1-CG 3.63Å; Y189-Y354 HydrophobicContact CE1-CG 3.63Å; Y189-Y354 VanDerWaalsContact CZ-CB 3.43Å; Y189-Y354 AromaticContact CZ-CG 3.75Å; Y189-Y354 WeakPolarHBondContact OH-CB 3.46Å; Y189-D356 HydrophobicContact CE2-CB 4.2Å; Y189-D356 PolarHBondContact OH-OD1 3.04Å; Y189-D356 PolarHBondContact OH-OD2 3.48Å; Y189-K360 WeakPolarHBondContact OH-CD 3.3Å; Y189-K360 PolarHBondContact OH-NZ 3.22Å; Y189-L362 HydrophobicContact CD1-CD1 4.24Å; Y189-L362 HydrophobicContact CE1-CD1 4.12Å; Y189-L362 HydrophobicContact CE1-CD2 4.34Å
190	Q	85.1	Confident	67.2	Low	9 Å²	9	95 Å²	95	4%	0.042	47%	0.466	C	S	.	.	H	α-helix	trans	-61.6	-31.9	179.8	-72.3	-177.3	-102.3	0	0	114	M186 K187 W336 V337 S343 S344 L362	M186-Q190 WeakPolarHBondContact O-CG 3.45Å; M186-Q190 PolarHBondContact O-N 3.47Å; K187-Q190 PolarHBondContact O-N 2.96Å; Q190-W336 HydrophobicContact CG-CE3 3.46Å; Q190-W336 VanDerWaalsContact CG-CE3 3.46Å; Q190-W336 HydrophobicContact CG-CZ3 3.75Å; Q190-V337 PolarHBondContact NE2-O 3.45Å; Q190-S343 WeakPolarHBondContact CB-OG 3.12Å; Q190-S344 VanDerWaalsContact CB-O 3.28Å; Q190-S344 WeakPolarHBondContact CB-O 3.04Å; Q190-S344 VanDerWaalsContact CG-O 3.22Å; Q190-S344 WeakPolarHBondContact CG-O 3.21Å; Q190-S344 PolarHBondContact NE2-O 3.32Å; Q190-S344 PolarHBondContact O-N 3.13Å; Q190-L362 HydrophobicContact CG-CD1 4.27Å
191	V	86.2	Confident	65.6	Low	78 Å²	78	98.2 Å²	98.2	47%	0.473	48%	0.476	S	S	.	.	H	α-helix	trans	-77.4	-24.1	175.3	176.5	0	0	0	0	111.7	K187 Y189 A193 A194	K187-V191 WeakPolarHBondContact O-CG2 3.31Å; K187-V191 PolarHBondContact O-N 2.86Å; Y189-V191 VanDerWaalsContact C-N 3.29Å; Y189-V191 PolarHBondContact O-N 2.94Å; V191-A193 PolarHBondContact O-N 3.23Å; V191-A193 VanDerWaalsContact O-N 3.08Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.08Å
192	S	82.7	Confident	63.9	Low	54 Å²	54	102.9 Å²	102.9	38%	0.378	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.8	-174	75.5	0	0	0	0	115.9	K188 Y189 S355	K188-S192 PolarHBondContact O-N 3.18Å; Y189-S192 WeakPolarHBondContact O-CB 3.44Å; Y189-S192 PolarHBondContact O-N 3.12Å; Y189-S192 PolarHBondContact O-OG 3.2Å; S192-S355 WeakPolarHBondContact CB-OG 3.35Å; S192-S355 WeakPolarHBondContact OG-CB 3.22Å; S192-S355 PolarHBondContact OG-OG 3.24Å
193	A	73.6	Confident	61.9	Low	20 Å²	20	108 Å²	108	17%	0.165	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	23.2	171.3	0	0	0	0	0	112.4	V191 E195 S344 L353 Y354	V191-A193 PolarHBondContact O-N 3.23Å; V191-A193 VanDerWaalsContact O-N 3.08Å; A193-E195 PolarHBondContact O-N 2.96Å; A193-S344 PolarHBondContact O-OG 2.86Å; A193-L353 WeakPolarHBondContact CB-O 3.43Å; A193-Y354 HydrophobicContact CB-CD1 3.51Å; A193-Y354 HydrophobicContact CB-CE1 3.59Å; A193-Y354 HydrophobicContact CB-CG 4.07Å
194	A	65.3	Low	59.8	Low	31 Å²	31	114.7 Å²	114.7	26%	0.256	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-67.3	126.5	168	0	0	0	0	0	108.8	V191 E196	V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.08Å; A194-E196 PolarHBondContact O-N 2.91Å
195	E	56.2	Low	57.6	Low	144 Å²	144	113.4 Å²	113.4	67%	0.673	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-66.5	128.1	174.9	-69.1	170.6	-137.8	0	0	109.2	A193 K352	A193-E195 PolarHBondContact O-N 2.96Å; E195-K352 IonicContact OE1-NZ 2.61Å; E195-K352 PolarHBondContact OE1-NZ 3.16Å
196	E	44.9	Very low	55.3	Low	176 Å²	176	116.4 Å²	116.4	82%	0.822	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-57.7	139	166.8	-75.8	-158.7	158.5	0	0	109.1	A194 R198	A194-E196 PolarHBondContact O-N 2.91Å; E196-R198 PolarHBondContact O-N 2.77Å
197	P	39.3	Very low	52.7	Low	120 Å²	120	121 Å²	121	78%	0.779	62%	0.617	S	S	*	*			trans	-61.8	109.9	176.7	26.2	-33.3	0	0	0	108.6	K199	P197-K199 PolarHBondContact O-N 2.92Å
198	R	35.8	Very low	50.2	Low	229 Å²	229	123.5 Å²	123.5	86%	0.864	63%	0.631	S	S	*	*			trans	-51.9	115.8	173.3	-75.4	-175.3	175.1	-170.1	-1	108.2	E196 E200	E196-R198 PolarHBondContact O-N 2.77Å; R198-E200 VanDerWaalsContact C-N 3.32Å; R198-E200 PolarHBondContact O-N 3.02Å
199	K	33.3	Very low	47.6	Very low	201 Å²	201	121.9 Å²	121.9	87%	0.874	64%	0.637	S	S	*	*			trans	-63.3	99.4	163.1	-71.1	-178.7	178.6	177.4	0	106.8	P197 L201	P197-K199 PolarHBondContact O-N 2.92Å; K199-L201 PolarHBondContact O-N 2.91Å
200	E	33.6	Very low	45.2	Very low	151 Å²	151	126.6 Å²	126.6	71%	0.706	67%	0.671	S	S	*	*			trans	-60.5	111.1	163.4	-67.2	-162.7	159.6	0	0	106.6	R198 H202	R198-E200 VanDerWaalsContact C-N 3.32Å; R198-E200 PolarHBondContact O-N 3.02Å; E200-H202 PolarHBondContact O-N 3.44Å
201	L	32.1	Very low	42.7	Very low	154 Å²	154	131.4 Å²	131.4	81%	0.806	70%	0.701	S	S	*	*			trans	-75.5	84.2	-179.7	-169.3	75.2	0	0	0	107.2	K199 T203	K199-L201 PolarHBondContact O-N 2.91Å; L201-T203 VanDerWaalsContact C-N 3.3Å; L201-T203 PolarHBondContact O-N 2.86Å
202	H	33.9	Very low	40.4	Very low	154 Å²	154	135.7 Å²	135.7	71%	0.713	72%	0.72	S	S	*	*			trans	-63.2	94	171.9	-71.8	-53.6	0	0	0	109.1	E200 E204	E200-H202 PolarHBondContact O-N 3.44Å; H202-E204 PolarHBondContact O-N 2.94Å; H202-E204 VanDerWaalsContact O-N 3.14Å
203	T	29.5	Very low	38.3	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	74%	0.741	S	S	*	*			trans	-69.5	102.6	165	-50.2	0	0	0	0	107.4	L201 A205	L201-T203 VanDerWaalsContact C-N 3.3Å; L201-T203 PolarHBondContact O-N 2.86Å; T203-A205 PolarHBondContact O-N 2.86Å; T203-A205 VanDerWaalsContact O-N 3.16Å
204	E	30.2	Very low	36.3	Very low	186 Å²	186	150.8 Å²	150.8	87%	0.869	78%	0.775	S	S	*	*			trans	-64.7	113.8	177	-67.1	-179.6	145.6	0	0	109.7	H202	H202-E204 PolarHBondContact O-N 2.94Å; H202-E204 VanDerWaalsContact O-N 3.14Å
205	A	29.7	Very low	34.8	Very low	87 Å²	87	158.7 Å²	158.7	72%	0.719	80%	0.804	S	S	*	*			trans	-123.2	98.8	171.9	0	0	0	0	0	107.6	T203 S207	T203-A205 PolarHBondContact O-N 2.86Å; T203-A205 VanDerWaalsContact O-N 3.16Å; A205-S207 PolarHBondContact O-N 3.01Å
206	E	31.9	Very low	33.8	Very low	200 Å²	200	160.8 Å²	160.8	94%	0.935	81%	0.811	S	S	*	*			trans	-61.6	124.7	-177	-65.5	179	115.6	0	0	111.5
207	S	29.9	Very low	33.4	Very low	112 Å²	112	164.5 Å²	164.5	78%	0.783	82%	0.817	S	S	*	*			trans	-154.1	104.4	159.1	44.5	0	0	0	0	109.4	A205 S209	A205-S207 PolarHBondContact O-N 3.01Å; S207-S209 PolarHBondContact O-N 2.91Å
208	E	32.8	Very low	33.1	Very low	197 Å²	197	166.1 Å²	166.1	92%	0.921	82%	0.816	S	S	*	*			trans	-70.6	124.1	-179.8	-66	-168.2	114.8	0	0	111.5
209	S	28.4	Very low	33.4	Very low	102 Å²	102	160 Å²	160	71%	0.713	82%	0.815	S	S	*	*			trans	-163.1	115	162.9	-84.3	0	0	0	0	111	S207 V211	S207-S209 PolarHBondContact O-N 2.91Å; S209-V211 VanDerWaalsContact C-N 3.34Å; S209-V211 PolarHBondContact O-N 2.7Å
210	P	34.2	Very low	34	Very low	133 Å²	133	159.2 Å²	159.2	86%	0.864	81%	0.814	S	S	*	*			trans	-80	75.9	-174.9	32.5	-36	0	0	0	112.2	L212	P210-L212 PolarHBondContact O-N 2.7Å; P210-L212 VanDerWaalsContact O-N 3.1Å
211	V	32.7	Very low	35.2	Very low	109 Å²	109	155.8 Å²	155.8	66%	0.661	80%	0.803	S	S	*	*			trans	-73.8	102.2	173.4	-173.9	0	0	0	0	109.8	S209 L213	S209-V211 VanDerWaalsContact C-N 3.34Å; S209-V211 PolarHBondContact O-N 2.7Å; V211-L213 HydrophobicContact CG1-CD2 4.13Å; V211-L213 HydrophobicContact CG1-CG 4.06Å; V211-L213 PolarHBondContact O-N 3.03Å
212	L	39	Very low	37.1	Very low	169 Å²	169	153 Å²	153	89%	0.885	79%	0.786	S	S	*	*			trans	-65	80.7	171.2	-86	165.7	0	0	0	111.2	P210 R214	P210-L212 PolarHBondContact O-N 2.7Å; P210-L212 VanDerWaalsContact O-N 3.1Å; L212-R214 PolarHBondContact O-N 2.95Å
213	L	37.2	Very low	39.6	Very low	153 Å²	153	150 Å²	150	80%	0.801	77%	0.771	S	S	*	*			trans	-69.6	75.4	173.3	-75.2	176.1	0	0	0	111.2	V211 K215	V211-L213 HydrophobicContact CG1-CD2 4.13Å; V211-L213 HydrophobicContact CG1-CG 4.06Å; V211-L213 PolarHBondContact O-N 3.03Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 PolarHBondContact O-N 3.18Å
214	R	32.8	Very low	42.5	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	74%	0.739	S	S	*	*			trans	-56.3	92.7	165.1	177.5	-178.5	173.7	175.1	-1.2	108.8	L212 K216	L212-R214 PolarHBondContact O-N 2.95Å; R214-K216 PolarHBondContact O-N 3.27Å
215	K	34.3	Very low	45.4	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	70%	0.699	S	S	*	*			trans	-48.4	111.7	170.1	-96.3	-175.1	173.4	179.6	0	108.5	L213 R217	L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 PolarHBondContact O-N 3.18Å; K215-R217 PolarHBondContact O-N 2.81Å
216	K	33.6	Very low	48.5	Very low	189 Å²	189	132 Å²	132	82%	0.822	66%	0.664	S	S	*	*			trans	-59.1	111.6	171.1	-112	-178.2	176.1	-180	0	106.9	R214 M218	R214-K216 PolarHBondContact O-N 3.27Å; K216-M218 PolarHBondContact O-N 2.6Å
217	R	36.8	Very low	51.2	Low	254 Å²	254	123.6 Å²	123.6	96%	0.958	63%	0.625	S	S	*	*			trans	-71.1	72.9	168.1	-71.6	-173.7	-179.5	178	-0.2	109.2	K215	K215-R217 PolarHBondContact O-N 2.81Å
218	M	32.8	Very low	54.1	Low	154 Å²	154	118.3 Å²	118.3	76%	0.759	59%	0.588	S	S	*	*			trans	-70.2	126.9	146	-69.4	177.2	62.9	0	0	105.6	K216 Q220	K216-M218 PolarHBondContact O-N 2.6Å; M218-Q220 PolarHBondContact O-N 3.26Å
219	A	41.8	Very low	56.8	Low	101 Å²	101	109.4 Å²	109.4	84%	0.835	55%	0.546	S	S	*	.			trans	-67.8	103.4	168.8	0	0	0	0	0	106.9	V221	A219-V221 PolarHBondContact O-N 2.87Å
220	Q	47.6	Very low	59.8	Low	183 Å²	183	104.6 Å²	104.6	86%	0.855	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-65.1	129.5	165.9	-68.2	-174.2	-70.4	0	0	106.9	M218 E222	M218-Q220 PolarHBondContact O-N 3.26Å; Q220-E222 PolarHBondContact O-N 3.14Å
221	V	57.8	Low	62.5	Low	79 Å²	79	98.3 Å²	98.3	48%	0.479	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-59.4	132.5	176.1	-174.6	0	0	0	0	107.8	A219 K223 E458	A219-V221 PolarHBondContact O-N 2.87Å; V221-K223 PolarHBondContact O-N 2.82Å; V221-E458 HydrophobicContact CB-CG 3.99Å; V221-E458 HydrophobicContact CG1-CB 4.01Å; V221-E458 HydrophobicContact CG1-CG 3.7Å; V221-E458 WeakPolarHBondContact CG1-OE2 3.19Å
222	E	71.9	Confident	65.3	Low	95 Å²	95	93.1 Å²	93.1	44%	0.444	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-72.9	133	-172.4	-177.2	145.2	-149.9	0	0	111	Q220 N224 R452	Q220-E222 PolarHBondContact O-N 3.14Å; E222-N224 HydrophobicContact CG-CB 4.25Å; E222-N224 PolarHBondContact O-N 3.15Å; E222-N224 PolarHBondContact O-OD1 3.31Å; E222-R452 VanDerWaalsContact CG-NH1 3.27Å; E222-R452 IonicContact OE1-CZ 3.23Å; E222-R452 IonicContact OE1-NH1 2.74Å; E222-R452 PolarHBondContact OE1-NH1 3.09Å; E222-R452 IonicContact OE1-NH2 2.78Å; E222-R452 PolarHBondContact OE1-NH2 3.14Å
223	K	86.6	Confident	68	Low	92 Å²	92	85.1 Å²	85.1	40%	0.4	40%	0.398	S	S	.	.			trans	-96.4	86	178.6	-71.5	179.9	163.8	-154.4	0	109.8	V221 R452 F456 V457 E458	V221-K223 PolarHBondContact O-N 2.82Å; K223-R452 VanDerWaalsContact O-CD 3.25Å; K223-R452 WeakPolarHBondContact O-CD 3.22Å; K223-R452 WeakPolarHBondContact O-CG 3.36Å; K223-R452 PolarHBondContact O-NH1 2.83Å; K223-F456 HydrophobicContact CB-CB 4.08Å; K223-F456 WeakPolarHBondContact CD-O 3.34Å; K223-V457 CarbonylContact C-O 3.55Å; K223-V457 VanDerWaalsContact CA-O 3.32Å; K223-V457 WeakPolarHBondContact CA-O 3.03Å; K223-E458 HydrophobicContact CG-CG 4.01Å
224	N	90.8	Very high	70.7	Confident	14 Å²	14	78 Å²	78	8%	0.075	36%	0.361	C	S	.	.			trans	-115.2	-1.4	-172.5	55.4	-45.9	0	0	0	114.1	E222 N271 I272 S273 V457 S459	E222-N224 HydrophobicContact CG-CB 4.25Å; E222-N224 PolarHBondContact O-N 3.15Å; E222-N224 PolarHBondContact O-OD1 3.31Å; N224-N271 PolarHBondContact ND2-O 3.49Å; N224-I272 HydrophobicContact CB-CD1 4.32Å; N224-I272 WeakPolarHBondContact O-CA 3.42Å; N224-S273 PolarHBondContact O-N 3.38Å; N224-V457 PolarHBondContact N-O 3.45Å; N224-S459 PolarHBondContact ND2-OG 2.94Å; N224-S459 PolarHBondContact OD1-OG 2.93Å
225	T	91.1	Very high	73.7	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.3	174.5	-70.8	0	0	0	0	113.5	S273 M275 F456 V457 S459	T225-S273 CarbonylContact C-O 3.55Å; T225-S273 VanDerWaalsContact CA-O 3.31Å; T225-S273 WeakPolarHBondContact CA-O 3.21Å; T225-M275 HydrophobicContact CG2-CB 4.14Å; T225-M275 HydrophobicContact CG2-CE 4.08Å; T225-M275 HydrophobicContact CG2-CG 3.53Å; T225-M275 HydrophobicContact CG2-SD 3.95Å; T225-F456 VanDerWaalsContact C-CD1 3.46Å; T225-F456 WeakPolarHBondContact O-CA 3.3Å; T225-F456 WeakPolarHBondContact O-CB 3.46Å; T225-F456 WeakPolarHBondContact O-CD1 3.49Å; T225-V457 HydrophobicContact CG2-CG2 3.85Å; T225-V457 PolarHBondContact N-O 3.43Å; T225-V457 PolarHBondContact O-N 3.49Å; T225-S459 WeakPolarHBondContact OG1-CA 3.4Å; T225-S459 WeakPolarHBondContact OG1-CB 3.48Å; T225-S459 PolarHBondContact OG1-OG 2.91Å
226	C	94.9	Very high	76.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.5	172.2	178.8	0	0	0	0	110.1	S273 F274 M275 C317 F393 F456	C226-S273 PolarHBondContact N-O 2.77Å; C226-F274 HydrophobicContact CB-CD1 3.69Å; C226-F274 HydrophobicContact CB-CE1 3.81Å; C226-M275 PolarHBondContact O-N 3.02Å; C226-C317 HydrophobicContact CB-CB 3.89Å; C226-C317 WeakPolarHBondContact CB-SG 3.35Å; C226-C317 WeakPolarHBondContact SG-CB 3.47Å; C226-C317 CovalentContact SG-SG 2.04Å; C226-C317 PolarHBondContact SG-SG 3.43Å; C226-F393 HydrophobicContact CB-CZ 4.41Å; C226-F456 HydrophobicContact CB-CD1 4.34Å; C226-F456 HydrophobicContact CB-CE1 3.79Å; C226-F456 HydrophobicContact CB-CE2 4.25Å; C226-F456 HydrophobicContact CB-CZ 3.74Å
227	Q	87.4	Confident	79	Confident	24 Å²	24	50.9 Å²	50.9	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.7	177.9	-60.2	-162.3	-54	0	0	111.7	M275 K277 C317 L318 V457	Q227-M275 HydrophobicContact CG-CG 4.16Å; Q227-M275 HydrophobicContact CG-SD 4.16Å; Q227-K277 HydrophobicContact CB-CB 4.32Å; Q227-K277 HydrophobicContact CB-CD 4.22Å; Q227-C317 WeakPolarHBondContact O-CA 3.37Å; Q227-C317 WeakPolarHBondContact O-CB 3.27Å; Q227-C317 PolarHBondContact O-N 3.04Å; Q227-L318 PolarHBondContact O-N 3.46Å; Q227-V457 HydrophobicContact CG-CG1 4Å; Q227-V457 HydrophobicContact CG-CG2 3.71Å
228	L	91.3	Very high	81.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.7	-178	-57.6	-178.8	0	0	0	112.6	I230 V254 F274 M275 K277 L318 F385	L228-I230 HydrophobicContact CB-CD1 4.39Å; L228-I230 HydrophobicContact CB-CG1 4.23Å; L228-I230 HydrophobicContact CD1-CD1 4.16Å; L228-V254 HydrophobicContact CD1-CG1 3.93Å; L228-V254 HydrophobicContact CD1-CG2 3.95Å; L228-F274 HydrophobicContact CD1-CB 4.02Å; L228-F274 HydrophobicContact CD1-CD1 4.13Å; L228-F274 HydrophobicContact CD1-CG 4.37Å; L228-F274 HydrophobicContact CD2-CD1 3.98Å; L228-F274 HydrophobicContact CG-CB 4.44Å; L228-F274 HydrophobicContact CG-CD1 4.18Å; L228-M275 PolarHBondContact N-O 3.05Å; L228-K277 PolarHBondContact O-N 2.86Å; L228-L318 WeakPolarHBondContact CA-O 3.29Å; L228-L318 HydrophobicContact CD2-CB 3.83Å; L228-F385 HydrophobicContact CD1-CZ 4.38Å
229	F	90.6	Very high	84.1	Confident	10 Å²	10	40 Å²	40	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	156.5	175.5	-152.3	0	0	0	108.5	Q231 R278 R280 H313 Y316 L318 A319 Y320	F229-Q231 HydrophobicContact CD1-CG 4.4Å; F229-Q231 HydrophobicContact CD2-CG 4.26Å; F229-Q231 HydrophobicContact CE1-CG 3.83Å; F229-Q231 HydrophobicContact CE2-CG 3.66Å; F229-Q231 VanDerWaalsContact CZ-CD 3.42Å; F229-Q231 HydrophobicContact CZ-CG 3.43Å; F229-Q231 VanDerWaalsContact CZ-CG 3.43Å; F229-R278 HydrophobicContact CD2-CB 3.71Å; F229-R278 HydrophobicContact CD2-CG 3.78Å; F229-R278 WeakPolarHBondContact CD2-O 3.43Å; F229-R278 HydrophobicContact CE2-CB 4.18Å; F229-R278 HydrophobicContact CE2-CG 3.69Å; F229-R280 HydrophobicContact CE2-CB 3.92Å; F229-R280 HydrophobicContact CZ-CB 4.26Å; F229-H313 AromaticContact CD1-CE1 3.8Å; F229-H313 AromaticContact CD1-ND1 3.47Å; F229-H313 WeakPolarHBondContact CD1-ND1 3.46Å; F229-H313 AromaticContact CE1-CE1 3.81Å; F229-H313 AromaticContact CE1-ND1 3.78Å; F229-Y316 HydrophobicContact CB-CD1 3.64Å; F229-Y316 HydrophobicContact CB-CD2 3.81Å; F229-Y316 HydrophobicContact CB-CE1 3.84Å; F229-Y316 HydrophobicContact CB-CE2 4.01Å; F229-Y316 HydrophobicContact CB-CG 3.63Å; F229-Y316 HydrophobicContact CD1-CD2 4.26Å; F229-Y316 AromaticContact CD1-CE2 3.99Å; F229-Y316 HydrophobicContact CD1-CE2 3.99Å; F229-Y316 HydrophobicContact CG-CD2 4.37Å; F229-Y316 HydrophobicContact CG-CE1 4.38Å; F229-Y316 HydrophobicContact CG-CE2 4.15Å; F229-L318 PolarHBondContact N-O 3.38Å; F229-A319 HydrophobicContact CB-CB 4.06Å; F229-A319 HydrophobicContact CD1-CB 4Å; F229-A319 HydrophobicContact CG-CB 4.46Å; F229-A319 CarbonylContact O-C 3.46Å; F229-A319 VanDerWaalsContact O-CA 3.31Å; F229-A319 WeakPolarHBondContact O-CA 3.11Å; F229-Y320 PolarHBondContact O-N 3.44Å
230	I	90.8	Very high	86	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.1	-179.9	-61.5	178.3	0	0	0	109.8	L228 I250 V254 V276 R278 I279 R280 F322	L228-I230 HydrophobicContact CB-CD1 4.39Å; L228-I230 HydrophobicContact CB-CG1 4.23Å; L228-I230 HydrophobicContact CD1-CD1 4.16Å; I230-I250 HydrophobicContact CB-CG2 4.32Å; I230-I250 HydrophobicContact CD1-CG2 3.7Å; I230-I250 HydrophobicContact CG2-CD1 3.96Å; I230-I250 HydrophobicContact CG2-CG1 3.95Å; I230-I250 HydrophobicContact CG2-CG2 4.03Å; I230-V254 HydrophobicContact CD1-CG2 3.41Å; I230-V254 VanDerWaalsContact CD1-CG2 3.41Å; I230-V276 HydrophobicContact CB-CG1 4.49Å; I230-V276 HydrophobicContact CD1-CG1 4.32Å; I230-V276 HydrophobicContact CD1-CG2 3.88Å; I230-V276 HydrophobicContact CG1-CG1 4.37Å; I230-R278 PolarHBondContact N-O 3.42Å; I230-I279 CarbonylContact O-C 3.6Å; I230-I279 VanDerWaalsContact O-CA 3.29Å; I230-I279 WeakPolarHBondContact O-CA 3.24Å; I230-R280 PolarHBondContact O-N 3.14Å; I230-F322 HydrophobicContact CG2-CD1 3.87Å; I230-F322 HydrophobicContact CG2-CE1 3.87Å; I230-F322 HydrophobicContact CG2-CG 4.42Å; I230-F322 HydrophobicContact CG2-CZ 4.38Å
231	Q	89.8	Confident	87.6	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144	175.3	-50.9	-166.4	71.8	0	0	109.4	F229 R280 Y320 V321 F322	F229-Q231 HydrophobicContact CD1-CG 4.4Å; F229-Q231 HydrophobicContact CD2-CG 4.26Å; F229-Q231 HydrophobicContact CE1-CG 3.83Å; F229-Q231 HydrophobicContact CE2-CG 3.66Å; F229-Q231 VanDerWaalsContact CZ-CD 3.42Å; F229-Q231 HydrophobicContact CZ-CG 3.43Å; F229-Q231 VanDerWaalsContact CZ-CG 3.43Å; Q231-R280 CarbonylContact C-O 3.57Å; Q231-R280 WeakPolarHBondContact CA-O 2.93Å; Q231-R280 HydrophobicContact CB-CB 4.32Å; Q231-R280 HydrophobicContact CG-CB 4.07Å; Q231-Y320 PolarHBondContact N-O 2.78Å; Q231-V321 HydrophobicContact CB-CG1 4.42Å; Q231-V321 HydrophobicContact CB-CG2 4.18Å; Q231-V321 CarbonylContact O-C 3.46Å; Q231-V321 WeakPolarHBondContact O-CA 3.35Å; Q231-F322 PolarHBondContact O-N 3.39Å
232	T	93	Very high	88.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142	171.1	43.8	0	0	0	0	109	F236 V246 I250 R280 I281 N282 F322	T232-F236 HydrophobicContact CG2-CB 4.5Å; T232-F236 HydrophobicContact CG2-CD1 3.36Å; T232-F236 HydrophobicContact CG2-CE1 3.6Å; T232-F236 HydrophobicContact CG2-CG 3.94Å; T232-F236 HydrophobicContact CG2-CZ 4.33Å; T232-V246 HydrophobicContact CG2-CG1 3.91Å; T232-I250 HydrophobicContact CG2-CD1 3.92Å; T232-I250 HydrophobicContact CG2-CG1 4.29Å; T232-R280 PolarHBondContact N-O 3.15Å; T232-R280 PolarHBondContact OG1-O 3.43Å; T232-I281 WeakPolarHBondContact OG1-CA 3.28Å; T232-N282 PolarHBondContact O-N 2.69Å; T232-F322 HydrophobicContact CG2-CB 3.78Å
233	D	94.9	Very high	88.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.137	C	C	.	.			trans	-98.7	176.3	-179	74.1	23	0	0	0	114.1	L235 F236 F237 N282 F304 F322 T323 R325	D233-L235 PolarHBondContact O-N 2.93Å; D233-L235 VanDerWaalsContact O-N 3.14Å; D233-L235 WeakPolarHBondContact OD1-CA 3.4Å; D233-L235 WeakPolarHBondContact OD1-CB 3.33Å; D233-L235 PolarHBondContact OD1-N 2.9Å; D233-F236 PolarHBondContact O-N 2.93Å; D233-F236 PolarHBondContact OD1-N 3.32Å; D233-F237 PolarHBondContact O-N 3.3Å; D233-N282 CarbonylContact C-O 3.58Å; D233-F304 WeakPolarHBondContact OD2-CZ 3.37Å; D233-F322 PolarHBondContact N-O 3.11Å; D233-T323 PolarHBondContact OD1-OG1 3.23Å; D233-T323 VanDerWaalsContact OD2-CB 3.31Å; D233-T323 WeakPolarHBondContact OD2-CB 3.28Å; D233-T323 PolarHBondContact OD2-OG1 3.28Å; D233-R325 IonicContact OD2-CZ 3.88Å; D233-R325 IonicContact OD2-NH1 2.72Å; D233-R325 PolarHBondContact OD2-NH1 2.88Å
234	H	94.1	Very high	88.2	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-21.3	-178.6	73.8	-79.4	0	0	0	114.2	K238 N282 T283 E287 F294	H234-K238 WeakPolarHBondContact O-CB 3.43Å; H234-K238 PolarHBondContact O-N 2.97Å; H234-K238 VanDerWaalsContact O-N 3.16Å; H234-N282 WeakPolarHBondContact CA-O 3.48Å; H234-N282 PolarHBondContact N-O 3.03Å; H234-T283 VanDerWaalsContact CB-O 3.27Å; H234-T283 WeakPolarHBondContact CB-O 3.31Å; H234-E287 HydrophobicContact CB-CB 4.36Å; H234-E287 IonicContact CD2-OE2 3.01Å; H234-F294 PolarHBondContact CE1-O 3.42Å; H234-F294 PolarHBondContact ND1-O 3.49Å
235	L	95.2	Very high	87.5	Confident	25 Å²	25	28.7 Å²	28.7	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-84.9	-45.1	176.5	-62	176.2	0	0	0	110.5	D233 F237 K238 Y239 D324 R325	D233-L235 PolarHBondContact O-N 2.93Å; D233-L235 VanDerWaalsContact O-N 3.14Å; D233-L235 WeakPolarHBondContact OD1-CA 3.4Å; D233-L235 WeakPolarHBondContact OD1-CB 3.33Å; D233-L235 PolarHBondContact OD1-N 2.9Å; L235-F237 VanDerWaalsContact C-N 3.33Å; L235-F237 PolarHBondContact O-N 2.86Å; L235-K238 HydrophobicContact CD2-CD 4.39Å; L235-K238 WeakPolarHBondContact O-CB 3.25Å; L235-K238 PolarHBondContact O-N 3.18Å; L235-K238 VanDerWaalsContact O-N 3.12Å; L235-Y239 PolarHBondContact O-N 3Å; L235-D324 HydrophobicContact CB-CB 4.16Å; L235-R325 HydrophobicContact CD1-CG 3.58Å
236	F	93.7	Very high	87	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-46.4	172.7	-166.2	-86.4	0	0	0	111.4	T232 D233 K238 Y239 Y240 V246 Q249 F322 V369	T232-F236 HydrophobicContact CG2-CB 4.5Å; T232-F236 HydrophobicContact CG2-CD1 3.36Å; T232-F236 HydrophobicContact CG2-CE1 3.6Å; T232-F236 HydrophobicContact CG2-CG 3.94Å; T232-F236 HydrophobicContact CG2-CZ 4.33Å; D233-F236 PolarHBondContact O-N 2.93Å; D233-F236 PolarHBondContact OD1-N 3.32Å; F236-K238 PolarHBondContact O-N 2.83Å; F236-Y239 PolarHBondContact O-N 2.55Å; F236-Y240 AromaticContact CD1-CD2 3.78Å; F236-Y240 HydrophobicContact CD1-CD2 3.78Å; F236-Y240 HydrophobicContact CD1-CE2 4.1Å; F236-Y240 HydrophobicContact CD2-CD2 4.5Å; F236-Y240 HydrophobicContact CD2-CE2 4.1Å; F236-Y240 AromaticContact CE1-CD2 3.53Å; F236-Y240 HydrophobicContact CE1-CD2 3.53Å; F236-Y240 AromaticContact CE1-CE2 3.62Å; F236-Y240 HydrophobicContact CE1-CE2 3.62Å; F236-Y240 HydrophobicContact CE2-CD2 4.31Å; F236-Y240 AromaticContact CE2-CE2 3.64Å; F236-Y240 HydrophobicContact CE2-CE2 3.64Å; F236-Y240 HydrophobicContact CG-CD2 4.27Å; F236-Y240 HydrophobicContact CG-CE2 4.33Å; F236-Y240 AromaticContact CZ-CD2 3.83Å; F236-Y240 HydrophobicContact CZ-CD2 3.83Å; F236-Y240 AromaticContact CZ-CE2 3.37Å; F236-Y240 HydrophobicContact CZ-CE2 3.37Å; F236-Y240 WeakPolarHBondContact O-CD2 3.48Å; F236-Y240 PolarHBondContact O-N 2.97Å; F236-V246 HydrophobicContact CD1-CG1 4.19Å; F236-V246 HydrophobicContact CD1-CG2 4.03Å; F236-V246 HydrophobicContact CE1-CB 4.42Å; F236-V246 HydrophobicContact CE1-CG1 4.04Å; F236-V246 HydrophobicContact CE1-CG2 4.18Å; F236-Q249 HydrophobicContact CZ-CB 4.22Å; F236-F322 HydrophobicContact CD2-CB 3.9Å; F236-F322 HydrophobicContact CE2-CB 3.82Å; F236-F322 AromaticContact CE2-CD2 3.9Å; F236-F322 HydrophobicContact CE2-CD2 3.9Å; F236-F322 HydrophobicContact CE2-CG 4.39Å; F236-F322 HydrophobicContact CG-CB 4.38Å; F236-F322 HydrophobicContact CZ-CB 4.26Å; F236-F322 AromaticContact CZ-CD2 3.89Å; F236-F322 HydrophobicContact CZ-CD2 3.89Å; F236-V369 HydrophobicContact CD2-CG2 4.06Å; F236-V369 HydrophobicContact CE2-CG1 3.85Å; F236-V369 HydrophobicContact CE2-CG2 4.08Å
237	F	85.9	Confident	86.2	Confident	29 Å²	29	28.6 Å²	28.6	13%	0.127	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-39.2	174.8	-178.7	-90.9	0	0	0	112.5	D233 L235 Y239 Y240 K241 R243 V246 I281 N282 T283 T284	D233-F237 PolarHBondContact O-N 3.3Å; L235-F237 VanDerWaalsContact C-N 3.33Å; L235-F237 PolarHBondContact O-N 2.86Å; F237-Y239 VanDerWaalsContact C-N 3.33Å; F237-Y239 PolarHBondContact O-N 2.9Å; F237-Y240 PolarHBondContact O-N 3.06Å; F237-K241 WeakPolarHBondContact O-CA 3.28Å; F237-K241 PolarHBondContact O-N 2.72Å; F237-R243 HydrophobicContact CE2-CB 4.2Å; F237-V246 HydrophobicContact CD2-CG2 4.09Å; F237-I281 HydrophobicContact CB-CG2 4.46Å; F237-I281 HydrophobicContact CD2-CG2 3.56Å; F237-I281 HydrophobicContact CE2-CG2 4.26Å; F237-I281 HydrophobicContact CG-CG2 4.34Å; F237-N282 WeakPolarHBondContact CB-O 3.39Å; F237-T283 HydrophobicContact CD1-CG2 4.38Å; F237-T283 HydrophobicContact CD2-CG2 4.35Å; F237-T283 HydrophobicContact CE1-CG2 4.12Å; F237-T283 HydrophobicContact CE2-CG2 4.09Å; F237-T283 HydrophobicContact CG-CG2 4.5Å; F237-T283 HydrophobicContact CZ-CG2 3.97Å; F237-T284 HydrophobicContact CD1-CG2 4.38Å
238	K	90.9	Very high	85.8	Confident	126 Å²	126	27.8 Å²	27.8	55%	0.548	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-34.9	177.4	175.1	-175.7	175.6	-172.5	0	112.7	H234 L235 F236 T284	H234-K238 WeakPolarHBondContact O-CB 3.43Å; H234-K238 PolarHBondContact O-N 2.97Å; H234-K238 VanDerWaalsContact O-N 3.16Å; L235-K238 HydrophobicContact CD2-CD 4.39Å; L235-K238 WeakPolarHBondContact O-CB 3.25Å; L235-K238 PolarHBondContact O-N 3.18Å; L235-K238 VanDerWaalsContact O-N 3.12Å; F236-K238 PolarHBondContact O-N 2.83Å; K238-T284 HydrophobicContact CB-CG2 3.93Å; K238-T284 HydrophobicContact CG-CG2 4.38Å
239	Y	86.5	Confident	85.4	Confident	55 Å²	55	28 Å²	28	22%	0.216	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-51.4	175.5	-174.7	-91.7	0	0	0	111.7	R146 L235 F236 F237 H375	R146-Y239 HydrophobicContact CG-CE1 4.12Å; R146-Y239 VanDerWaalsContact CG-OH 3.28Å; R146-Y239 WeakPolarHBondContact CG-OH 3.04Å; L235-Y239 PolarHBondContact O-N 3Å; F236-Y239 PolarHBondContact O-N 2.55Å; F237-Y239 VanDerWaalsContact C-N 3.33Å; F237-Y239 PolarHBondContact O-N 2.9Å; Y239-H375 AromaticContact CD1-CE1 3.69Å; Y239-H375 AromaticContact CD1-ND1 3.89Å; Y239-H375 AromaticContact CE1-CD2 3.85Å; Y239-H375 AromaticContact CE1-CE1 3.27Å; Y239-H375 WeakPolarHBondContact CE1-CE1 3.23Å; Y239-H375 AromaticContact CE1-CG 3.82Å; Y239-H375 AromaticContact CE1-ND1 3.47Å; Y239-H375 WeakPolarHBondContact CE1-ND1 3.3Å; Y239-H375 AromaticContact CE1-NE2 3.5Å; Y239-H375 HydrophobicContact CE2-CB 3.92Å; Y239-H375 AromaticContact CE2-CG 3.85Å; Y239-H375 AromaticContact CE2-ND1 3.76Å; Y239-H375 AromaticContact CZ-CD2 3.66Å; Y239-H375 AromaticContact CZ-CE1 3.7Å; Y239-H375 AromaticContact CZ-CG 3.38Å; Y239-H375 AromaticContact CZ-ND1 3.42Å; Y239-H375 AromaticContact CZ-NE2 3.84Å; Y239-H375 PolarHBondContact OH-CD2 3.36Å
240	Y	82.3	Confident	85.1	Confident	12 Å²	12	27.6 Å²	27.6	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-83.2	-10.2	-176	-67.6	-68.9	0	0	0	114.9	F236 F237 T242 Q249 H375	F236-Y240 AromaticContact CD1-CD2 3.78Å; F236-Y240 HydrophobicContact CD1-CD2 3.78Å; F236-Y240 HydrophobicContact CD1-CE2 4.1Å; F236-Y240 HydrophobicContact CD2-CD2 4.5Å; F236-Y240 HydrophobicContact CD2-CE2 4.1Å; F236-Y240 AromaticContact CE1-CD2 3.53Å; F236-Y240 HydrophobicContact CE1-CD2 3.53Å; F236-Y240 AromaticContact CE1-CE2 3.62Å; F236-Y240 HydrophobicContact CE1-CE2 3.62Å; F236-Y240 HydrophobicContact CE2-CD2 4.31Å; F236-Y240 AromaticContact CE2-CE2 3.64Å; F236-Y240 HydrophobicContact CE2-CE2 3.64Å; F236-Y240 HydrophobicContact CG-CD2 4.27Å; F236-Y240 HydrophobicContact CG-CE2 4.33Å; F236-Y240 AromaticContact CZ-CD2 3.83Å; F236-Y240 HydrophobicContact CZ-CD2 3.83Å; F236-Y240 AromaticContact CZ-CE2 3.37Å; F236-Y240 HydrophobicContact CZ-CE2 3.37Å; F236-Y240 WeakPolarHBondContact O-CD2 3.48Å; F236-Y240 PolarHBondContact O-N 2.97Å; F237-Y240 PolarHBondContact O-N 3.06Å; Y240-T242 PolarHBondContact O-N 3.2Å; Y240-Q249 HydrophobicContact CD1-CG 3.86Å; Y240-Q249 HydrophobicContact CE1-CG 3.48Å; Y240-Q249 VanDerWaalsContact CE1-CG 3.48Å; Y240-Q249 HydrophobicContact CE2-CB 4.48Å; Y240-Q249 HydrophobicContact CE2-CG 4.17Å; Y240-Q249 HydrophobicContact CG-CG 4.36Å; Y240-Q249 PolarHBondContact OH-OE1 3.09Å; Y240-H375 AromaticContact CZ-CE1 3.76Å; Y240-H375 PolarHBondContact OH-CE1 3.4Å; Y240-H375 PolarHBondContact OH-NE2 2.63Å
241	K	79.6	Confident	84.8	Confident	96 Å²	96	27.6 Å²	27.6	42%	0.417	13%	0.128	S	C	.	.			trans	66	-36.1	171.9	-55.5	170.1	-174.1	174.4	0	116.3	E149 F237	E149-K241 IonicContact OE1-NZ 3.2Å; E149-K241 PolarHBondContact OE1-NZ 2.91Å; E149-K241 IonicContact OE2-NZ 3.44Å; E149-K241 PolarHBondContact OE2-NZ 2.93Å; F237-K241 WeakPolarHBondContact O-CA 3.28Å; F237-K241 PolarHBondContact O-N 2.72Å
242	T	78.1	Confident	84.7	Confident	68 Å²	68	27.9 Å²	27.9	42%	0.417	13%	0.13	S	C	.	.	S	Bend	trans	-119	154.2	-179.4	69.8	0	0	0	0	111.9	Y240 E244 A245 V246	Y240-T242 PolarHBondContact O-N 3.2Å; T242-E244 PolarHBondContact O-N 2.66Å; T242-A245 PolarHBondContact O-N 3.35Å; T242-A245 VanDerWaalsContact OG1-CB 3.28Å; T242-A245 WeakPolarHBondContact OG1-CB 3.47Å; T242-A245 PolarHBondContact OG1-N 2.71Å; T242-A245 VanDerWaalsContact OG1-N 3.14Å; T242-V246 WeakPolarHBondContact O-CG2 3.4Å; T242-V246 PolarHBondContact O-N 2.9Å; T242-V246 VanDerWaalsContact O-N 3.15Å
243	R	75	Confident	84.7	Confident	78 Å²	78	27.9 Å²	27.9	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-71.2	-29.1	179.8	112.7	-154	167.7	163.8	18.3	110.4	I99 Y101 F237 V246 I247 I281	I99-R243 VanDerWaalsContact CD1-NH1 3.29Å; Y101-R243 HydrophobicContact CD2-CG 4.4Å; Y101-R243 HydrophobicContact CE2-CG 3.74Å; F237-R243 HydrophobicContact CE2-CB 4.2Å; R243-V246 PolarHBondContact O-N 3.13Å; R243-I247 HydrophobicContact CG-CD1 4.32Å; R243-I247 WeakPolarHBondContact O-CB 3.42Å; R243-I247 WeakPolarHBondContact O-CG1 3.22Å; R243-I247 PolarHBondContact O-N 3.01Å; R243-I281 HydrophobicContact CB-CD1 4.12Å; R243-I281 HydrophobicContact CG-CD1 4.45Å
244	E	75.9	Confident	84.4	Confident	59 Å²	59	27.9 Å²	27.9	28%	0.276	13%	0.13	S	C	.	.	H	α-helix	trans	-67	-44.1	177.9	-66.2	59.5	-140.1	0	0	111	V124 T242 I247 A248	V124-E244 HydrophobicContact CG2-CB 4.35Å; T242-E244 PolarHBondContact O-N 2.66Å; E244-I247 PolarHBondContact O-N 3.32Å; E244-A248 WeakPolarHBondContact O-CB 3.15Å; E244-A248 PolarHBondContact O-N 3.15Å
245	A	77.2	Confident	84.2	Confident	13 Å²	13	28.8 Å²	28.8	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-68.6	-40	173.7	0	0	0	0	0	111.8	T242 I247 A248 Q249	T242-A245 PolarHBondContact O-N 3.35Å; T242-A245 VanDerWaalsContact OG1-CB 3.28Å; T242-A245 WeakPolarHBondContact OG1-CB 3.47Å; T242-A245 PolarHBondContact OG1-N 2.71Å; T242-A245 VanDerWaalsContact OG1-N 3.14Å; A245-I247 VanDerWaalsContact C-N 3.33Å; A245-I247 PolarHBondContact O-N 2.86Å; A245-A248 WeakPolarHBondContact O-CB 3.37Å; A245-A248 PolarHBondContact O-N 2.88Å; A245-Q249 WeakPolarHBondContact O-CB 3.28Å; A245-Q249 WeakPolarHBondContact O-CG 3.37Å; A245-Q249 PolarHBondContact O-N 3.27Å
246	V	79.4	Confident	83.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58	-44.6	172.7	165.9	0	0	0	0	111.5	T232 F236 F237 T242 R243 Q249 I250 I281	T232-V246 HydrophobicContact CG2-CG1 3.91Å; F236-V246 HydrophobicContact CD1-CG1 4.19Å; F236-V246 HydrophobicContact CD1-CG2 4.03Å; F236-V246 HydrophobicContact CE1-CB 4.42Å; F236-V246 HydrophobicContact CE1-CG1 4.04Å; F236-V246 HydrophobicContact CE1-CG2 4.18Å; F237-V246 HydrophobicContact CD2-CG2 4.09Å; T242-V246 WeakPolarHBondContact O-CG2 3.4Å; T242-V246 PolarHBondContact O-N 2.9Å; T242-V246 VanDerWaalsContact O-N 3.15Å; R243-V246 PolarHBondContact O-N 3.13Å; V246-Q249 PolarHBondContact O-N 2.7Å; V246-I250 HydrophobicContact CG1-CD1 3.98Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 3.16Å; V246-I281 HydrophobicContact CB-CD1 4.43Å; V246-I281 HydrophobicContact CG1-CD1 3.86Å; V246-I281 HydrophobicContact CG1-CG1 4.15Å; V246-I281 HydrophobicContact CG1-CG2 4.23Å
247	I	78.3	Confident	84	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.8	-37.1	178.5	-73.7	162.3	0	0	0	111.8	I92 Y101 R243 E244 A245 Q249 I250 S251 I279 I281	I92-I247 HydrophobicContact CD1-CD1 3.57Å; I92-I247 HydrophobicContact CD1-CG1 4.36Å; I92-I247 HydrophobicContact CG2-CD1 4.47Å; Y101-I247 HydrophobicContact CD1-CD1 4.34Å; Y101-I247 HydrophobicContact CD2-CD1 3.59Å; Y101-I247 HydrophobicContact CE1-CD1 4.01Å; Y101-I247 HydrophobicContact CE1-CG2 4.31Å; Y101-I247 HydrophobicContact CE2-CD1 3.19Å; Y101-I247 HydrophobicContact CG-CD1 4.18Å; Y101-I247 VanDerWaalsContact CZ-CD1 3.44Å; R243-I247 HydrophobicContact CG-CD1 4.32Å; R243-I247 WeakPolarHBondContact O-CB 3.42Å; R243-I247 WeakPolarHBondContact O-CG1 3.22Å; R243-I247 PolarHBondContact O-N 3.01Å; E244-I247 PolarHBondContact O-N 3.32Å; A245-I247 VanDerWaalsContact C-N 3.33Å; A245-I247 PolarHBondContact O-N 2.86Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.18Å; I247-I250 PolarHBondContact O-N 2.92Å; I247-S251 VanDerWaalsContact O-CB 3.22Å; I247-S251 WeakPolarHBondContact O-CB 3.45Å; I247-S251 PolarHBondContact O-N 3.34Å; I247-I279 HydrophobicContact CG1-CD1 4.21Å; I247-I281 HydrophobicContact CD1-CD1 3.89Å; I247-I281 HydrophobicContact CG1-CD1 3.93Å
248	A	79	Confident	84.2	Confident	6 Å²	6	27 Å²	27	5%	0.05	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-42.4	171.3	0	0	0	0	0	112.1	I106 E244 A245 S251 S252	I106-A248 HydrophobicContact CD1-CB 4.45Å; E244-A248 WeakPolarHBondContact O-CB 3.15Å; E244-A248 PolarHBondContact O-N 3.15Å; A245-A248 WeakPolarHBondContact O-CB 3.37Å; A245-A248 PolarHBondContact O-N 2.88Å; A248-S251 WeakPolarHBondContact O-CB 3.48Å; A248-S251 PolarHBondContact O-N 3.42Å; A248-S252 WeakPolarHBondContact O-CB 3.45Å; A248-S252 PolarHBondContact O-N 3Å
249	Q	83.3	Confident	84.1	Confident	7 Å²	7	22.6 Å²	22.6	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-69.6	-44.8	178.6	-73.9	-71.8	-24.7	0	0	112.3	E129 F236 Y240 A245 V246 I247 S251 S252 H253	E129-Q249 PolarHBondContact OE1-NE2 3.14Å; F236-Q249 HydrophobicContact CZ-CB 4.22Å; Y240-Q249 HydrophobicContact CD1-CG 3.86Å; Y240-Q249 HydrophobicContact CE1-CG 3.48Å; Y240-Q249 VanDerWaalsContact CE1-CG 3.48Å; Y240-Q249 HydrophobicContact CE2-CB 4.48Å; Y240-Q249 HydrophobicContact CE2-CG 4.17Å; Y240-Q249 HydrophobicContact CG-CG 4.36Å; Y240-Q249 PolarHBondContact OH-OE1 3.09Å; A245-Q249 WeakPolarHBondContact O-CB 3.28Å; A245-Q249 WeakPolarHBondContact O-CG 3.37Å; A245-Q249 PolarHBondContact O-N 3.27Å; V246-Q249 PolarHBondContact O-N 2.7Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.18Å; Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 2.74Å; Q249-S252 PolarHBondContact O-N 3.49Å; Q249-H253 PolarHBondContact O-N 2.54Å; Q249-H253 PolarHBondContact O-ND1 2.73Å
250	I	83.9	Confident	84.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55.5	-45.4	170.8	-68.5	168.1	0	0	0	110.3	I230 T232 V246 I247 H253 V254 I279	I230-I250 HydrophobicContact CB-CG2 4.32Å; I230-I250 HydrophobicContact CD1-CG2 3.7Å; I230-I250 HydrophobicContact CG2-CD1 3.96Å; I230-I250 HydrophobicContact CG2-CG1 3.95Å; I230-I250 HydrophobicContact CG2-CG2 4.03Å; T232-I250 HydrophobicContact CG2-CD1 3.92Å; T232-I250 HydrophobicContact CG2-CG1 4.29Å; V246-I250 HydrophobicContact CG1-CD1 3.98Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 3.16Å; I247-I250 PolarHBondContact O-N 2.92Å; I250-H253 PolarHBondContact O-N 3.14Å; I250-V254 HydrophobicContact CG2-CG2 4.48Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 2.71Å; I250-I279 HydrophobicContact CD1-CD1 4.34Å; I250-I279 HydrophobicContact CD1-CG2 3.87Å; I250-I279 HydrophobicContact CG2-CD1 4.21Å
251	S	85.1	Confident	85	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.3	-50.2	178.8	-167.4	0	0	0	0	111.7	L85 I106 H120 I247 A248 Q249 H253 V254 K255	L85-S251 WeakPolarHBondContact CD2-OG 3.45Å; I106-S251 VanDerWaalsContact CG2-OG 3.28Å; I106-S251 WeakPolarHBondContact CG2-OG 3.27Å; H120-S251 PolarHBondContact CE1-OG 2.87Å; H120-S251 PolarHBondContact NE2-O 3.45Å; H120-S251 PolarHBondContact NE2-OG 3.01Å; I247-S251 VanDerWaalsContact O-CB 3.22Å; I247-S251 WeakPolarHBondContact O-CB 3.45Å; I247-S251 PolarHBondContact O-N 3.34Å; A248-S251 WeakPolarHBondContact O-CB 3.48Å; A248-S251 PolarHBondContact O-N 3.42Å; Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 2.74Å; S251-H253 PolarHBondContact O-N 3.03Å; S251-V254 PolarHBondContact O-N 2.72Å; S251-K255 WeakPolarHBondContact O-CB 3.32Å; S251-K255 PolarHBondContact O-N 3.2Å
252	S	87.6	Confident	85.5	Confident	8 Å²	8	19.8 Å²	19.8	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-56.6	-46.9	177	-175.6	0	0	0	0	112.5	A248 Q249 K255 A256 H382	A248-S252 WeakPolarHBondContact O-CB 3.45Å; A248-S252 PolarHBondContact O-N 3Å; Q249-S252 PolarHBondContact O-N 3.49Å; S252-K255 PolarHBondContact O-N 2.85Å; S252-A256 WeakPolarHBondContact O-CB 3.45Å; S252-A256 PolarHBondContact O-N 3.41Å; S252-H382 PolarHBondContact OG-CE1 3.19Å; S252-H382 PolarHBondContact OG-NE2 2.91Å
253	H	91.9	Very high	86	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-45.5	179.5	-76.8	72.4	0	0	0	112.1	Q249 I250 S251 A256 I257 F322 S381 H382 F385	Q249-H253 PolarHBondContact O-N 2.54Å; Q249-H253 PolarHBondContact O-ND1 2.73Å; I250-H253 PolarHBondContact O-N 3.14Å; S251-H253 PolarHBondContact O-N 3.03Å; H253-A256 PolarHBondContact O-N 2.99Å; H253-I257 PolarHBondContact O-N 2.76Å; H253-F322 HydrophobicContact CB-CE2 3.84Å; H253-F322 HydrophobicContact CB-CZ 4Å; H253-F322 AromaticContact CD2-CE2 3.86Å; H253-F322 AromaticContact CG-CE2 3.7Å; H253-S381 VanDerWaalsContact NE2-CB 3.31Å; H253-S381 WeakPolarHBondContact NE2-CB 3.09Å; H253-S381 PolarHBondContact NE2-OG 2.64Å; H253-H382 AromaticContact CD2-CD2 3.83Å; H253-H382 AromaticContact CE1-CD2 3.97Å; H253-H382 AromaticContact CG-CD2 3.81Å; H253-H382 AromaticContact ND1-CD2 3.91Å; H253-H382 AromaticContact ND1-NE2 3.99Å; H253-H382 AromaticContact NE2-CD2 3.93Å; H253-F385 HydrophobicContact CB-CD1 3.81Å; H253-F385 HydrophobicContact CB-CE1 4.13Å
254	V	90.5	Very high	86.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-39.1	179.7	-175.7	0	0	0	0	111	L85 L228 I230 I250 S251 A256 I257 D258 F274 V276 F385	L85-V254 HydrophobicContact CD1-CB 4.06Å; L85-V254 HydrophobicContact CD1-CG1 3.65Å; L85-V254 HydrophobicContact CD2-CB 4.46Å; L85-V254 HydrophobicContact CG-CB 4.48Å; L85-V254 HydrophobicContact CG-CG1 4.31Å; L228-V254 HydrophobicContact CD1-CG1 3.93Å; L228-V254 HydrophobicContact CD1-CG2 3.95Å; I230-V254 HydrophobicContact CD1-CG2 3.41Å; I230-V254 VanDerWaalsContact CD1-CG2 3.41Å; I250-V254 HydrophobicContact CG2-CG2 4.48Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 2.71Å; S251-V254 PolarHBondContact O-N 2.72Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.38Å; V254-I257 VanDerWaalsContact O-CG1 3.28Å; V254-I257 WeakPolarHBondContact O-CG1 3.45Å; V254-I257 PolarHBondContact O-N 3.43Å; V254-D258 VanDerWaalsContact O-CB 3.23Å; V254-D258 WeakPolarHBondContact O-CB 3.47Å; V254-D258 PolarHBondContact O-N 2.86Å; V254-F274 HydrophobicContact CG1-CB 3.73Å; V254-V276 HydrophobicContact CB-CG2 4.33Å; V254-V276 HydrophobicContact CG1-CG2 4.19Å; V254-V276 HydrophobicContact CG2-CG2 3.78Å; V254-F385 HydrophobicContact CG2-CE1 4.04Å; V254-F385 HydrophobicContact CG2-CZ 4.49Å
255	K	88.8	Confident	87.5	Confident	23 Å²	23	17.2 Å²	17.2	10%	0.1	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-33.4	177.7	-165.2	68.2	-168	163.9	0	112.9	L85 H120 S251 S252 D258 A259	L85-K255 HydrophobicContact CD1-CB 4.4Å; L85-K255 HydrophobicContact CD1-CD 4.23Å; H120-K255 HydrophobicContact CB-CG 4.07Å; S251-K255 WeakPolarHBondContact O-CB 3.32Å; S251-K255 PolarHBondContact O-N 3.2Å; S252-K255 PolarHBondContact O-N 2.85Å; K255-D258 IonicContact NZ-OD2 2.78Å; K255-D258 PolarHBondContact NZ-OD2 2.87Å; K255-D258 PolarHBondContact O-N 3.07Å; K255-A259 PolarHBondContact O-N 2.97Å
256	A	89.3	Confident	88.4	Confident	11 Å²	11	16.7 Å²	16.7	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.1	0	0	0	0	0	112.5	S252 H253 V254 A259 I260 H382	S252-A256 WeakPolarHBondContact O-CB 3.45Å; S252-A256 PolarHBondContact O-N 3.41Å; H253-A256 PolarHBondContact O-N 2.99Å; V254-A256 VanDerWaalsContact C-N 3.34Å; V254-A256 PolarHBondContact O-N 3.38Å; A256-A259 PolarHBondContact O-N 2.95Å; A256-I260 WeakPolarHBondContact O-CG1 3.36Å; A256-I260 PolarHBondContact O-N 2.81Å; A256-H382 HydrophobicContact CB-CB 3.79Å; A256-H382 VanDerWaalsContact CB-ND1 3.33Å; A256-H382 WeakPolarHBondContact CB-ND1 3.35Å
257	I	94.4	Very high	89	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-34.1	175.9	67.3	164.2	0	0	0	112.3	H253 V254 A259 I260 Y261 F274 F385 A386 V389	H253-I257 PolarHBondContact O-N 2.76Å; V254-I257 VanDerWaalsContact O-CG1 3.28Å; V254-I257 WeakPolarHBondContact O-CG1 3.45Å; V254-I257 PolarHBondContact O-N 3.43Å; I257-A259 VanDerWaalsContact C-N 3.35Å; I257-A259 PolarHBondContact O-N 2.55Å; I257-I260 PolarHBondContact O-N 3.44Å; I257-Y261 HydrophobicContact CB-CD2 4.48Å; I257-Y261 WeakPolarHBondContact O-CB 3.05Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.32Å; I257-Y261 PolarHBondContact O-N 3.01Å; I257-F274 HydrophobicContact CB-CE2 4.4Å; I257-F274 HydrophobicContact CD1-CD1 4.2Å; I257-F274 HydrophobicContact CD1-CD2 3.72Å; I257-F274 HydrophobicContact CD1-CE1 4.28Å; I257-F274 HydrophobicContact CD1-CE2 3.8Å; I257-F274 HydrophobicContact CD1-CG 3.92Å; I257-F274 HydrophobicContact CD1-CZ 4.1Å; I257-F274 HydrophobicContact CG1-CD2 3.77Å; I257-F274 HydrophobicContact CG1-CE2 4.02Å; I257-F274 HydrophobicContact CG1-CG 4.32Å; I257-F385 HydrophobicContact CD1-CD1 3.9Å; I257-F385 HydrophobicContact CD1-CE1 3.43Å; I257-F385 VanDerWaalsContact CD1-CE1 3.43Å; I257-F385 HydrophobicContact CD1-CZ 3.79Å; I257-F385 HydrophobicContact CG1-CD1 4.16Å; I257-F385 HydrophobicContact CG1-CE1 3.95Å; I257-F385 HydrophobicContact CG2-CB 4.26Å; I257-F385 HydrophobicContact CG2-CD1 3.62Å; I257-F385 HydrophobicContact CG2-CE1 4.28Å; I257-F385 HydrophobicContact CG2-CG 4.12Å; I257-A386 HydrophobicContact CG2-CB 3.96Å; I257-V389 HydrophobicContact CD1-CG2 4.07Å
258	D	90.9	Very high	89.4	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-45.2	173.7	-179.4	63.7	0	0	0	111	V254 K255 I260 Y261 Q262 S273 F274	V254-D258 VanDerWaalsContact O-CB 3.23Å; V254-D258 WeakPolarHBondContact O-CB 3.47Å; V254-D258 PolarHBondContact O-N 2.86Å; K255-D258 IonicContact NZ-OD2 2.78Å; K255-D258 PolarHBondContact NZ-OD2 2.87Å; K255-D258 PolarHBondContact O-N 3.07Å; D258-I260 PolarHBondContact O-N 2.83Å; D258-Y261 PolarHBondContact O-N 2.75Å; D258-Q262 VanDerWaalsContact O-CB 3.3Å; D258-Q262 WeakPolarHBondContact O-CB 3.29Å; D258-Q262 VanDerWaalsContact O-CG 3.26Å; D258-Q262 WeakPolarHBondContact O-CG 3.5Å; D258-Q262 PolarHBondContact O-N 2.91Å; D258-Q262 PolarHBondContact OD1-NE2 3.35Å; D258-Q262 PolarHBondContact OD2-NE2 3.07Å; D258-S273 VanDerWaalsContact OD1-CA 3.27Å; D258-S273 WeakPolarHBondContact OD1-CA 3.28Å; D258-S273 VanDerWaalsContact OD1-CB 3.25Å; D258-S273 WeakPolarHBondContact OD1-CB 3.44Å; D258-S273 PolarHBondContact OD1-OG 3.35Å; D258-F274 HydrophobicContact CB-CD2 4.49Å; D258-F274 PolarHBondContact OD1-N 3.32Å
259	A	89.8	Confident	89.9	Confident	35 Å²	35	26.6 Å²	26.6	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-43	174.6	0	0	0	0	0	113.2	L118 K255 A256 I257 G263	L118-A259 HydrophobicContact CD2-CB 4.09Å; K255-A259 PolarHBondContact O-N 2.97Å; A256-A259 PolarHBondContact O-N 2.95Å; I257-A259 VanDerWaalsContact C-N 3.35Å; I257-A259 PolarHBondContact O-N 2.55Å; A259-G263 PolarHBondContact O-N 2.69Å; A259-G263 VanDerWaalsContact O-N 3.07Å
260	I	91.8	Very high	90	Very high	24 Å²	24	33.1 Å²	33.1	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-45.3	179	-69.1	168.6	0	0	0	111.4	A256 I257 D258 T264 A386 I420 F436	A256-I260 WeakPolarHBondContact O-CG1 3.36Å; A256-I260 PolarHBondContact O-N 2.81Å; I257-I260 PolarHBondContact O-N 3.44Å; D258-I260 PolarHBondContact O-N 2.83Å; I260-T264 PolarHBondContact O-N 2.77Å; I260-T264 PolarHBondContact O-OG1 2.78Å; I260-A386 HydrophobicContact CD1-CB 4.03Å; I260-I420 HydrophobicContact CD1-CD1 4.36Å; I260-I420 HydrophobicContact CG2-CD1 3.57Å; I260-F436 HydrophobicContact CG2-CD2 4.27Å; I260-F436 HydrophobicContact CG2-CE2 3.82Å
261	Y	94.9	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-78.2	-35.4	-176.3	-84.6	-105.4	0	0	0	113.1	I257 D258 G263 T264 F266 I272 F274 V389 G390 F393 F436	I257-Y261 HydrophobicContact CB-CD2 4.48Å; I257-Y261 WeakPolarHBondContact O-CB 3.05Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.32Å; I257-Y261 PolarHBondContact O-N 3.01Å; D258-Y261 PolarHBondContact O-N 2.75Å; Y261-G263 VanDerWaalsContact C-N 3.32Å; Y261-T264 PolarHBondContact O-N 2.74Å; Y261-F266 AromaticContact CD1-CE2 3.93Å; Y261-F266 HydrophobicContact CD1-CE2 3.93Å; Y261-F266 AromaticContact CD1-CZ 3.74Å; Y261-F266 HydrophobicContact CD1-CZ 3.74Å; Y261-F266 HydrophobicContact CE1-CZ 4.08Å; Y261-F266 HydrophobicContact CG-CZ 4.47Å; Y261-I272 CarbonylContact C-O 3.47Å; Y261-I272 WeakPolarHBondContact CB-O 3.37Å; Y261-I272 HydrophobicContact CD1-CB 4.46Å; Y261-I272 HydrophobicContact CD1-CG2 3.8Å; Y261-I272 HydrophobicContact CG-CG2 4.38Å; Y261-F274 HydrophobicContact CD1-CE2 4.1Å; Y261-F274 HydrophobicContact CD1-CZ 4.04Å; Y261-F274 AromaticContact CD2-CE2 3.7Å; Y261-F274 HydrophobicContact CD2-CE2 3.7Å; Y261-F274 HydrophobicContact CD2-CZ 4.13Å; Y261-F274 HydrophobicContact CE1-CZ 4.18Å; Y261-F274 HydrophobicContact CE2-CE2 4.23Å; Y261-F274 HydrophobicContact CE2-CZ 4.26Å; Y261-F274 AromaticContact CG-CE2 3.6Å; Y261-F274 HydrophobicContact CG-CE2 3.6Å; Y261-F274 AromaticContact CG-CZ 4Å; Y261-F274 HydrophobicContact CG-CZ 4Å; Y261-V389 HydrophobicContact CE2-CG1 4.25Å; Y261-V389 PolarHBondContact OH-O 2.91Å; Y261-G390 VanDerWaalsContact OH-CA 3.25Å; Y261-G390 WeakPolarHBondContact OH-CA 2.92Å; Y261-G390 PolarHBondContact OH-N 3.41Å; Y261-F393 HydrophobicContact CD1-CD1 4.4Å; Y261-F393 HydrophobicContact CD1-CE1 4.14Å; Y261-F393 AromaticContact CE1-CD1 3.71Å; Y261-F393 HydrophobicContact CE1-CD1 3.71Å; Y261-F393 HydrophobicContact CE1-CD2 4.31Å; Y261-F393 AromaticContact CE1-CE1 3.82Å; Y261-F393 HydrophobicContact CE1-CE1 3.82Å; Y261-F393 HydrophobicContact CE1-CE2 4.41Å; Y261-F393 AromaticContact CE1-CG 3.97Å; Y261-F393 HydrophobicContact CE1-CG 3.97Å; Y261-F393 HydrophobicContact CE1-CZ 4.17Å; Y261-F436 AromaticContact CD2-CE2 3.99Å; Y261-F436 HydrophobicContact CD2-CE2 3.99Å; Y261-F436 HydrophobicContact CD2-CZ 4.39Å; Y261-F436 HydrophobicContact CE1-CE2 4.19Å; Y261-F436 HydrophobicContact CE1-CZ 4.32Å; Y261-F436 AromaticContact CE2-CE2 3.63Å; Y261-F436 HydrophobicContact CE2-CE2 3.63Å; Y261-F436 AromaticContact CE2-CZ 3.58Å; Y261-F436 HydrophobicContact CE2-CZ 3.58Å; Y261-F436 HydrophobicContact CG-CE2 4.44Å; Y261-F436 AromaticContact CZ-CE2 3.74Å; Y261-F436 AromaticContact CZ-CZ 3.54Å; Y261-F436 WeakPolarHBondContact OH-CZ 3.46Å
262	Q	90.4	Very high	90.6	Very high	80 Å²	80	37.7 Å²	37.7	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-37.2	171.7	-71.1	-171.7	30.6	0	0	111.4	D258 T264 I272 S273	D258-Q262 VanDerWaalsContact O-CB 3.3Å; D258-Q262 WeakPolarHBondContact O-CB 3.29Å; D258-Q262 VanDerWaalsContact O-CG 3.26Å; D258-Q262 WeakPolarHBondContact O-CG 3.5Å; D258-Q262 PolarHBondContact O-N 2.91Å; D258-Q262 PolarHBondContact OD1-NE2 3.35Å; D258-Q262 PolarHBondContact OD2-NE2 3.07Å; Q262-T264 PolarHBondContact O-N 2.9Å; Q262-I272 VanDerWaalsContact CG-O 3.27Å; Q262-I272 WeakPolarHBondContact CG-O 3.04Å; Q262-I272 PolarHBondContact N-O 3.08Å; Q262-I272 VanDerWaalsContact N-O 3.14Å; Q262-S273 PolarHBondContact NE2-OG 2.88Å
263	G	87.5	Confident	90.7	Very high	70 Å²	70	38.1 Å²	38.1	72%	0.722	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-1	176.6	0	0	0	0	0	115.5	A259 Y261	A259-G263 PolarHBondContact O-N 2.69Å; A259-G263 VanDerWaalsContact O-N 3.07Å; Y261-G263 VanDerWaalsContact C-N 3.32Å
264	T	91.8	Very high	90.7	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.117	23%	0.225	C	C	.	.			trans	-109.7	131.3	-177.6	-59.9	0	0	0	0	111.6	I260 Y261 Q262 F266 F436 I441	I260-T264 PolarHBondContact O-N 2.77Å; I260-T264 PolarHBondContact O-OG1 2.78Å; Y261-T264 PolarHBondContact O-N 2.74Å; Q262-T264 PolarHBondContact O-N 2.9Å; T264-F266 HydrophobicContact CG2-CD1 3.99Å; T264-F266 HydrophobicContact CG2-CD2 4.18Å; T264-F266 HydrophobicContact CG2-CE1 3.54Å; T264-F266 HydrophobicContact CG2-CE2 3.77Å; T264-F266 HydrophobicContact CG2-CG 4.3Å; T264-F266 HydrophobicContact CG2-CZ 3.43Å; T264-F266 VanDerWaalsContact CG2-CZ 3.43Å; T264-F436 HydrophobicContact CG2-CD2 4.34Å; T264-I441 HydrophobicContact CG2-CD1 4.01Å; T264-I441 HydrophobicContact CG2-CG1 3.83Å
265	D	91.9	Very high	90.4	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	23%	0.23	S	C	.	.			trans	-91.9	101.3	173.8	-169.1	-9.8	0	0	0	110.5	M267 G268 R270 I441	D265-M267 PolarHBondContact O-N 3.31Å; D265-G268 WeakPolarHBondContact OD1-CA 3.42Å; D265-G268 PolarHBondContact OD1-N 3.44Å; D265-R270 HydrophobicContact CB-CG 4.41Å; D265-R270 VanDerWaalsContact CG-NE 3.3Å; D265-R270 IonicContact OD1-NE 2.69Å; D265-R270 IonicContact OD2-CZ 3.41Å; D265-R270 IonicContact OD2-NE 3.75Å; D265-R270 PolarHBondContact OD2-NE 3.33Å; D265-R270 IonicContact OD2-NH2 2.76Å; D265-R270 PolarHBondContact OD2-NH2 3.22Å; D265-I441 WeakPolarHBondContact O-CG2 3.43Å
266	F	95.6	Very high	90	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-82.3	67.8	177.6	-60.6	-76.4	0	0	0	110.4	Y261 T264 G268 I269 I272 F436 I441 I444 S445 L448	Y261-F266 AromaticContact CD1-CE2 3.93Å; Y261-F266 HydrophobicContact CD1-CE2 3.93Å; Y261-F266 AromaticContact CD1-CZ 3.74Å; Y261-F266 HydrophobicContact CD1-CZ 3.74Å; Y261-F266 HydrophobicContact CE1-CZ 4.08Å; Y261-F266 HydrophobicContact CG-CZ 4.47Å; T264-F266 HydrophobicContact CG2-CD1 3.99Å; T264-F266 HydrophobicContact CG2-CD2 4.18Å; T264-F266 HydrophobicContact CG2-CE1 3.54Å; T264-F266 HydrophobicContact CG2-CE2 3.77Å; T264-F266 HydrophobicContact CG2-CG 4.3Å; T264-F266 HydrophobicContact CG2-CZ 3.43Å; T264-F266 VanDerWaalsContact CG2-CZ 3.43Å; F266-G268 VanDerWaalsContact C-N 3.28Å; F266-G268 PolarHBondContact O-N 2.74Å; F266-I269 WeakPolarHBondContact CA-O 3.5Å; F266-I269 HydrophobicContact CB-CB 4.2Å; F266-I269 WeakPolarHBondContact CB-O 3.33Å; F266-I269 PolarHBondContact N-O 3.46Å; F266-I269 WeakPolarHBondContact O-CB 3.4Å; F266-I269 PolarHBondContact O-N 2.95Å; F266-I272 HydrophobicContact CD2-CG1 3.91Å; F266-I272 HydrophobicContact CE2-CB 4.28Å; F266-I272 HydrophobicContact CE2-CG1 4.15Å; F266-F436 HydrophobicContact CE1-CD2 4.42Å; F266-F436 HydrophobicContact CZ-CD2 4.25Å; F266-F436 HydrophobicContact CZ-CE2 4.37Å; F266-I441 HydrophobicContact CD1-CG2 4.41Å; F266-I444 HydrophobicContact CD1-CB 3.92Å; F266-I444 HydrophobicContact CD1-CG2 3.46Å; F266-I444 VanDerWaalsContact CD1-CG2 3.46Å; F266-I444 HydrophobicContact CE1-CB 3.94Å; F266-I444 HydrophobicContact CE1-CD1 3.92Å; F266-I444 HydrophobicContact CE1-CG2 3.46Å; F266-I444 VanDerWaalsContact CE1-CG2 3.46Å; F266-I444 HydrophobicContact CG-CG2 4.19Å; F266-I444 HydrophobicContact CZ-CG2 4.18Å; F266-S445 WeakPolarHBondContact CA-OG 3.14Å; F266-S445 PolarHBondContact O-OG 2.79Å; F266-L448 HydrophobicContact CB-CD1 3.89Å; F266-L448 HydrophobicContact CD1-CD1 4.46Å; F266-L448 HydrophobicContact CD2-CD1 4.1Å; F266-L448 HydrophobicContact CG-CD1 3.89Å
267	M	93.2	Very high	89.5	Confident	137 Å²	137	40.1 Å²	40.1	68%	0.675	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.2	177.8	-61.1	-174.3	63	0	0	114.1	D265 I441 R442 S445	D265-M267 PolarHBondContact O-N 3.31Å; M267-I441 HydrophobicContact CG-CG2 4.28Å; M267-R442 HydrophobicContact SD-CB 4.37Å; M267-R442 HydrophobicContact SD-CG 4.24Å; M267-S445 WeakPolarHBondContact CG-OG 3.4Å
268	G	86.4	Confident	88.6	Confident	57 Å²	57	43.7 Å²	43.7	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.9	-16.1	-177.2	0	0	0	0	0	113.9	D265 F266	D265-G268 WeakPolarHBondContact OD1-CA 3.42Å; D265-G268 PolarHBondContact OD1-N 3.44Å; F266-G268 VanDerWaalsContact C-N 3.28Å; F266-G268 PolarHBondContact O-N 2.74Å
269	I	88.4	Confident	88.1	Confident	20 Å²	20	43.5 Å²	43.5	10%	0.103	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-86	117	168.1	-52.5	175.7	0	0	0	107.8	F266 I272 L448 E449	F266-I269 WeakPolarHBondContact CA-O 3.5Å; F266-I269 HydrophobicContact CB-CB 4.2Å; F266-I269 WeakPolarHBondContact CB-O 3.33Å; F266-I269 PolarHBondContact N-O 3.46Å; F266-I269 WeakPolarHBondContact O-CB 3.4Å; F266-I269 PolarHBondContact O-N 2.95Å; I269-I272 HydrophobicContact CG2-CD1 3.82Å; I269-I272 HydrophobicContact CG2-CG1 4.28Å; I269-L448 HydrophobicContact CD1-CB 3.74Å; I269-L448 HydrophobicContact CG2-CD1 4.4Å; I269-E449 HydrophobicContact CD1-CG 4.32Å
270	R	87	Confident	87.8	Confident	144 Å²	144	45 Å²	45	54%	0.543	24%	0.242	S	C	.	.			trans	-123.3	171.9	-174.1	-66.3	-178.8	175.3	-169.9	-3.9	111.6	D265 I272	D265-R270 HydrophobicContact CB-CG 4.41Å; D265-R270 VanDerWaalsContact CG-NE 3.3Å; D265-R270 IonicContact OD1-NE 2.69Å; D265-R270 IonicContact OD2-CZ 3.41Å; D265-R270 IonicContact OD2-NE 3.75Å; D265-R270 PolarHBondContact OD2-NE 3.33Å; D265-R270 IonicContact OD2-NH2 2.76Å; D265-R270 PolarHBondContact OD2-NH2 3.22Å; R270-I272 PolarHBondContact O-N 3.46Å
271	N	87.3	Confident	87.4	Confident	96 Å²	96	43.8 Å²	43.8	51%	0.513	24%	0.236	S	C	.	.			trans	55.9	36.6	174.3	-53.5	-3.9	0	0	0	112.9	N224 S273	N224-N271 PolarHBondContact ND2-O 3.49Å; N271-S273 PolarHBondContact O-N 2.97Å
272	I	92.4	Very high	86.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.			trans	-66.5	124.5	174.1	-66.7	-63.1	0	0	0	108.5	N224 Y261 Q262 F266 I269 R270 F393 L448 F456	N224-I272 HydrophobicContact CB-CD1 4.32Å; N224-I272 WeakPolarHBondContact O-CA 3.42Å; Y261-I272 CarbonylContact C-O 3.47Å; Y261-I272 WeakPolarHBondContact CB-O 3.37Å; Y261-I272 HydrophobicContact CD1-CB 4.46Å; Y261-I272 HydrophobicContact CD1-CG2 3.8Å; Y261-I272 HydrophobicContact CG-CG2 4.38Å; Q262-I272 VanDerWaalsContact CG-O 3.27Å; Q262-I272 WeakPolarHBondContact CG-O 3.04Å; Q262-I272 PolarHBondContact N-O 3.08Å; Q262-I272 VanDerWaalsContact N-O 3.14Å; F266-I272 HydrophobicContact CD2-CG1 3.91Å; F266-I272 HydrophobicContact CE2-CB 4.28Å; F266-I272 HydrophobicContact CE2-CG1 4.15Å; I269-I272 HydrophobicContact CG2-CD1 3.82Å; I269-I272 HydrophobicContact CG2-CG1 4.28Å; R270-I272 PolarHBondContact O-N 3.46Å; I272-F393 HydrophobicContact CG2-CE1 3.83Å; I272-F393 HydrophobicContact CG2-CZ 4.24Å; I272-L448 HydrophobicContact CD1-CD1 4.15Å; I272-L448 HydrophobicContact CD1-CD2 4.13Å; I272-L448 HydrophobicContact CG1-CD1 4.11Å; I272-F456 HydrophobicContact CD1-CE1 4.34Å
273	S	90.7	Very high	86.7	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.2	-169.7	173.8	0	0	0	0	112	N224 T225 C226 D258 Q262 N271	N224-S273 PolarHBondContact O-N 3.38Å; T225-S273 CarbonylContact C-O 3.55Å; T225-S273 VanDerWaalsContact CA-O 3.31Å; T225-S273 WeakPolarHBondContact CA-O 3.21Å; C226-S273 PolarHBondContact N-O 2.77Å; D258-S273 VanDerWaalsContact OD1-CA 3.27Å; D258-S273 WeakPolarHBondContact OD1-CA 3.28Å; D258-S273 VanDerWaalsContact OD1-CB 3.25Å; D258-S273 WeakPolarHBondContact OD1-CB 3.44Å; D258-S273 PolarHBondContact OD1-OG 3.35Å; Q262-S273 PolarHBondContact NE2-OG 2.88Å; N271-S273 PolarHBondContact O-N 2.97Å
274	F	91	Very high	86.8	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.8	179.1	-60	-84.1	0	0	0	111.8	C226 L228 V254 I257 D258 Y261 V389 F393	C226-F274 HydrophobicContact CB-CD1 3.69Å; C226-F274 HydrophobicContact CB-CE1 3.81Å; L228-F274 HydrophobicContact CD1-CB 4.02Å; L228-F274 HydrophobicContact CD1-CD1 4.13Å; L228-F274 HydrophobicContact CD1-CG 4.37Å; L228-F274 HydrophobicContact CD2-CD1 3.98Å; L228-F274 HydrophobicContact CG-CB 4.44Å; L228-F274 HydrophobicContact CG-CD1 4.18Å; V254-F274 HydrophobicContact CG1-CB 3.73Å; I257-F274 HydrophobicContact CB-CE2 4.4Å; I257-F274 HydrophobicContact CD1-CD1 4.2Å; I257-F274 HydrophobicContact CD1-CD2 3.72Å; I257-F274 HydrophobicContact CD1-CE1 4.28Å; I257-F274 HydrophobicContact CD1-CE2 3.8Å; I257-F274 HydrophobicContact CD1-CG 3.92Å; I257-F274 HydrophobicContact CD1-CZ 4.1Å; I257-F274 HydrophobicContact CG1-CD2 3.77Å; I257-F274 HydrophobicContact CG1-CE2 4.02Å; I257-F274 HydrophobicContact CG1-CG 4.32Å; D258-F274 HydrophobicContact CB-CD2 4.49Å; D258-F274 PolarHBondContact OD1-N 3.32Å; Y261-F274 HydrophobicContact CD1-CE2 4.1Å; Y261-F274 HydrophobicContact CD1-CZ 4.04Å; Y261-F274 AromaticContact CD2-CE2 3.7Å; Y261-F274 HydrophobicContact CD2-CE2 3.7Å; Y261-F274 HydrophobicContact CD2-CZ 4.13Å; Y261-F274 HydrophobicContact CE1-CZ 4.18Å; Y261-F274 HydrophobicContact CE2-CE2 4.23Å; Y261-F274 HydrophobicContact CE2-CZ 4.26Å; Y261-F274 AromaticContact CG-CE2 3.6Å; Y261-F274 HydrophobicContact CG-CE2 3.6Å; Y261-F274 AromaticContact CG-CZ 4Å; Y261-F274 HydrophobicContact CG-CZ 4Å; F274-V389 HydrophobicContact CE1-CG1 3.84Å; F274-V389 HydrophobicContact CZ-CG1 3.63Å; F274-F393 AromaticContact CE1-CE2 3.71Å; F274-F393 HydrophobicContact CE1-CE2 3.71Å; F274-F393 AromaticContact CE1-CZ 3.63Å; F274-F393 HydrophobicContact CE1-CZ 3.63Å; F274-F393 AromaticContact CZ-CE2 3.82Å; F274-F393 HydrophobicContact CZ-CE2 3.82Å; F274-F393 AromaticContact CZ-CZ 3.6Å; F274-F393 HydrophobicContact CZ-CZ 3.6Å
275	M	85.2	Confident	86.7	Confident	24 Å²	24	44.7 Å²	44.7	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.5	168.7	65.9	174.4	30.8	0	0	110.1	L85 P87 T225 C226 Q227 L228 V457	L85-M275 WeakPolarHBondContact O-CA 3.27Å; P87-M275 HydrophobicContact CB-SD 4.44Å; P87-M275 HydrophobicContact CG-SD 4.49Å; T225-M275 HydrophobicContact CG2-CB 4.14Å; T225-M275 HydrophobicContact CG2-CE 4.08Å; T225-M275 HydrophobicContact CG2-CG 3.53Å; T225-M275 HydrophobicContact CG2-SD 3.95Å; C226-M275 PolarHBondContact O-N 3.02Å; Q227-M275 HydrophobicContact CG-CG 4.16Å; Q227-M275 HydrophobicContact CG-SD 4.16Å; L228-M275 PolarHBondContact N-O 3.05Å; M275-V457 HydrophobicContact SD-CG2 4.19Å
276	V	80.1	Confident	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114	179.4	-170.6	0	0	0	0	109.5	L85 F86 P87 L90 I230 V254 R278 I279	L85-V276 PolarHBondContact O-N 3.16Å; F86-V276 HydrophobicContact CD1-CB 3.99Å; F86-V276 HydrophobicContact CE1-CB 3.85Å; F86-V276 HydrophobicContact CE1-CG1 4.48Å; F86-V276 HydrophobicContact CE1-CG2 4Å; P87-V276 WeakPolarHBondContact CD-O 3.36Å; L90-V276 WeakPolarHBondContact CD1-O 3.09Å; I230-V276 HydrophobicContact CB-CG1 4.49Å; I230-V276 HydrophobicContact CD1-CG1 4.32Å; I230-V276 HydrophobicContact CD1-CG2 3.88Å; I230-V276 HydrophobicContact CG1-CG1 4.37Å; V254-V276 HydrophobicContact CB-CG2 4.33Å; V254-V276 HydrophobicContact CG1-CG2 4.19Å; V254-V276 HydrophobicContact CG2-CG2 3.78Å; V276-R278 WeakPolarHBondContact CG1-O 3.27Å; V276-I279 HydrophobicContact CG1-CD1 4.19Å; V276-I279 HydrophobicContact CG1-CG1 3.56Å
277	K	78	Confident	86.4	Confident	52 Å²	52	46.8 Å²	46.8	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-32.1	-178.8	-174.9	179.8	-170.4	168.6	0	112.4	K91 Q227 L228 D315 Y316	K91-K277 PolarHBondContact N-O 3.12Å; Q227-K277 HydrophobicContact CB-CB 4.32Å; Q227-K277 HydrophobicContact CB-CD 4.22Å; L228-K277 PolarHBondContact O-N 2.86Å; K277-D315 PolarHBondContact NZ-O 2.92Å; K277-Y316 HydrophobicContact CB-CD1 4.14Å; K277-Y316 HydrophobicContact CB-CE1 4.16Å; K277-Y316 HydrophobicContact CD-CD1 3.79Å; K277-Y316 HydrophobicContact CD-CE1 3.81Å; K277-Y316 HydrophobicContact CG-CD1 4.35Å; K277-Y316 HydrophobicContact CG-CE1 4.1Å
278	R	77	Confident	86.3	Confident	74 Å²	74	50.1 Å²	50.1	28%	0.279	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.6	176.3	-175.4	177.3	-178	166.4	-2.9	110.7	K91 E93 F229 I230 V276 Y316	K91-R278 HydrophobicContact CB-CG 4.13Å; K91-R278 CarbonylContact O-C 3.6Å; K91-R278 VanDerWaalsContact O-CA 3.27Å; K91-R278 WeakPolarHBondContact O-CA 3.48Å; E93-R278 IonicContact OE2-CZ 3.93Å; E93-R278 IonicContact OE2-NE 3.03Å; E93-R278 IonicContact OE2-NH2 2.79Å; E93-R278 PolarHBondContact OE2-NH2 3.27Å; F229-R278 HydrophobicContact CD2-CB 3.71Å; F229-R278 HydrophobicContact CD2-CG 3.78Å; F229-R278 WeakPolarHBondContact CD2-O 3.43Å; F229-R278 HydrophobicContact CE2-CB 4.18Å; F229-R278 HydrophobicContact CE2-CG 3.69Å; I230-R278 PolarHBondContact N-O 3.42Å; V276-R278 WeakPolarHBondContact CG1-O 3.27Å; R278-Y316 HydrophobicContact CB-CE1 3.97Å; R278-Y316 VanDerWaalsContact CD-OH 3.28Å; R278-Y316 WeakPolarHBondContact CD-OH 3.26Å
279	I	80.5	Confident	86.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.9	166.9	-64.5	177.5	0	0	0	108.7	F86 L90 K91 I92 E93 I230 I247 I250 V276 I281	F86-I279 HydrophobicContact CE1-CD1 3.91Å; L90-I279 HydrophobicContact CD1-CG1 4.35Å; K91-I279 PolarHBondContact O-N 2.79Å; I92-I279 WeakPolarHBondContact CA-O 3.41Å; I92-I279 HydrophobicContact CD1-CB 4.33Å; I92-I279 HydrophobicContact CD1-CD1 4.08Å; I92-I279 HydrophobicContact CG1-CB 4.2Å; I92-I279 HydrophobicContact CG2-CB 4.36Å; I92-I279 HydrophobicContact CG2-CG2 4.37Å; E93-I279 PolarHBondContact N-O 3.22Å; I230-I279 CarbonylContact O-C 3.6Å; I230-I279 VanDerWaalsContact O-CA 3.29Å; I230-I279 WeakPolarHBondContact O-CA 3.24Å; I247-I279 HydrophobicContact CG1-CD1 4.21Å; I250-I279 HydrophobicContact CD1-CD1 4.34Å; I250-I279 HydrophobicContact CD1-CG2 3.87Å; I250-I279 HydrophobicContact CG2-CD1 4.21Å; V276-I279 HydrophobicContact CG1-CD1 4.19Å; V276-I279 HydrophobicContact CG1-CG1 3.56Å; I279-I281 HydrophobicContact CG2-CD1 4.2Å; I279-I281 HydrophobicContact CG2-CG1 3.76Å
280	R	83.8	Confident	86.6	Confident	66 Å²	66	60.2 Å²	60.2	25%	0.249	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.7	168	-169.5	-176.9	-155.1	-154.3	-3.9	110	E93 F229 I230 Q231 T232	E93-R280 HydrophobicContact CB-CG 4.24Å; E93-R280 VanDerWaalsContact CD-NE 3.33Å; E93-R280 HydrophobicContact CG-CG 4.32Å; E93-R280 CarbonylContact O-C 3.6Å; E93-R280 WeakPolarHBondContact O-CA 3.4Å; E93-R280 IonicContact OE1-CZ 3.25Å; E93-R280 VanDerWaalsContact OE1-CZ 3.25Å; E93-R280 IonicContact OE1-NE 2.7Å; E93-R280 PolarHBondContact OE1-NE 2.87Å; E93-R280 IonicContact OE1-NH2 2.69Å; E93-R280 PolarHBondContact OE1-NH2 2.95Å; E93-R280 IonicContact OE2-NE 2.7Å; E93-R280 PolarHBondContact OE2-NE 2.8Å; F229-R280 HydrophobicContact CE2-CB 3.92Å; F229-R280 HydrophobicContact CZ-CB 4.26Å; I230-R280 PolarHBondContact O-N 3.14Å; Q231-R280 CarbonylContact C-O 3.57Å; Q231-R280 WeakPolarHBondContact CA-O 2.93Å; Q231-R280 HydrophobicContact CB-CB 4.32Å; Q231-R280 HydrophobicContact CG-CB 4.07Å; T232-R280 PolarHBondContact N-O 3.15Å; T232-R280 PolarHBondContact OG1-O 3.43Å
281	I	81.8	Confident	86.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.8	179.2	-48.6	-179.1	0	0	0	108.9	E93 V94 S95 T232 F237 R243 V246 I247 I279	E93-I281 PolarHBondContact O-N 2.8Å; V94-I281 WeakPolarHBondContact CA-O 3.36Å; V94-I281 HydrophobicContact CG2-CB 4.28Å; S95-I281 PolarHBondContact N-O 3.23Å; T232-I281 WeakPolarHBondContact OG1-CA 3.28Å; F237-I281 HydrophobicContact CB-CG2 4.46Å; F237-I281 HydrophobicContact CD2-CG2 3.56Å; F237-I281 HydrophobicContact CE2-CG2 4.26Å; F237-I281 HydrophobicContact CG-CG2 4.34Å; R243-I281 HydrophobicContact CB-CD1 4.12Å; R243-I281 HydrophobicContact CG-CD1 4.45Å; V246-I281 HydrophobicContact CB-CD1 4.43Å; V246-I281 HydrophobicContact CG1-CD1 3.86Å; V246-I281 HydrophobicContact CG1-CG1 4.15Å; V246-I281 HydrophobicContact CG1-CG2 4.23Å; I247-I281 HydrophobicContact CD1-CD1 3.89Å; I247-I281 HydrophobicContact CG1-CD1 3.93Å; I279-I281 HydrophobicContact CG2-CD1 4.2Å; I279-I281 HydrophobicContact CG2-CG1 3.76Å
282	N	85.8	Confident	86.8	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.032	25%	0.253	C	S	.	.			trans	-85.2	123.3	168.4	-60.8	-20.3	0	0	0	108.2	T232 D233 H234 F237 D286	T232-N282 PolarHBondContact O-N 2.69Å; D233-N282 CarbonylContact C-O 3.58Å; H234-N282 WeakPolarHBondContact CA-O 3.48Å; H234-N282 PolarHBondContact N-O 3.03Å; F237-N282 WeakPolarHBondContact CB-O 3.39Å; N282-D286 VanDerWaalsContact CA-OD2 3.26Å; N282-D286 WeakPolarHBondContact CA-OD2 3.04Å; N282-D286 HydrophobicContact CB-CB 3.9Å
283	T	86.4	Confident	86.7	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.08	27%	0.269	C	S	.	.			trans	-86	178.6	179	69.3	0	0	0	0	111.2	V94 S95 H234 F237 N285 D286	V94-T283 HydrophobicContact CG1-CG2 3.67Å; S95-T283 PolarHBondContact OG-OG1 2.72Å; H234-T283 VanDerWaalsContact CB-O 3.27Å; H234-T283 WeakPolarHBondContact CB-O 3.31Å; F237-T283 HydrophobicContact CD1-CG2 4.38Å; F237-T283 HydrophobicContact CD2-CG2 4.35Å; F237-T283 HydrophobicContact CE1-CG2 4.12Å; F237-T283 HydrophobicContact CE2-CG2 4.09Å; F237-T283 HydrophobicContact CG-CG2 4.5Å; F237-T283 HydrophobicContact CZ-CG2 3.97Å; T283-N285 PolarHBondContact O-N 3.07Å; T283-N285 VanDerWaalsContact O-N 3.09Å; T283-N285 PolarHBondContact OG1-N 3.41Å; T283-D286 PolarHBondContact N-OD2 3.09Å; T283-D286 PolarHBondContact O-N 3.05Å; T283-D286 PolarHBondContact OG1-OD2 2.96Å
284	T	89.8	Confident	86.9	Confident	58 Å²	58	56 Å²	56	36%	0.356	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.4	171.7	48.6	0	0	0	0	114.1	F237 K238	F237-T284 HydrophobicContact CD1-CG2 4.38Å; K238-T284 HydrophobicContact CB-CG2 3.93Å; K238-T284 HydrophobicContact CG-CG2 4.38Å
285	N	88.6	Confident	86.9	Confident	110 Å²	110	59.8 Å²	59.8	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-33.4	172.5	-65.7	-45.8	0	0	0	112.1	T283 E287 R288	T283-N285 PolarHBondContact O-N 3.07Å; T283-N285 VanDerWaalsContact O-N 3.09Å; T283-N285 PolarHBondContact OG1-N 3.41Å; N285-E287 PolarHBondContact O-N 2.89Å; N285-R288 WeakPolarHBondContact O-CB 3.4Å; N285-R288 PolarHBondContact O-N 2.92Å
286	D	87.8	Confident	87.2	Confident	20 Å²	20	63.9 Å²	63.9	11%	0.107	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.8	-176.4	-59.2	-64	0	0	0	113.1	S95 N282 T283 R288 N292	S95-D286 WeakPolarHBondContact CA-OD2 3.2Å; S95-D286 WeakPolarHBondContact CB-OD1 3.36Å; S95-D286 WeakPolarHBondContact CB-OD2 3.37Å; S95-D286 PolarHBondContact OG-OD2 3.27Å; N282-D286 VanDerWaalsContact CA-OD2 3.26Å; N282-D286 WeakPolarHBondContact CA-OD2 3.04Å; N282-D286 HydrophobicContact CB-CB 3.9Å; T283-D286 PolarHBondContact N-OD2 3.09Å; T283-D286 PolarHBondContact O-N 3.05Å; T283-D286 PolarHBondContact OG1-OD2 2.96Å; D286-R288 PolarHBondContact O-N 3.04Å; D286-N292 PolarHBondContact O-ND2 2.82Å
287	E	92.5	Very high	87.3	Confident	87 Å²	87	66.6 Å²	66.6	41%	0.407	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	164.8	-169.8	-170.8	144.8	0	0	111.7	H234 N285	H234-E287 HydrophobicContact CB-CB 4.36Å; H234-E287 IonicContact CD2-OE2 3.01Å; N285-E287 PolarHBondContact O-N 2.89Å
288	R	91.5	Very high	87.7	Confident	207 Å²	207	71.7 Å²	71.7	78%	0.781	35%	0.348	S	S	*	.	S	Bend	trans	-95.6	-17.8	-175.2	-58.5	-178.5	-179.4	176.8	1.7	113.6	N285 D286	N285-R288 WeakPolarHBondContact O-CB 3.4Å; N285-R288 PolarHBondContact O-N 2.92Å; D286-R288 PolarHBondContact O-N 3.04Å
289	D	90.8	Very high	88.4	Confident	63 Å²	63	69 Å²	69	34%	0.337	34%	0.339	S	S	.	.			trans	-64.9	138.6	172.3	174.1	37.3	0	0	0	110	S291 N292 R295	D289-S291 VanDerWaalsContact CG-N 3.29Å; D289-S291 PolarHBondContact OD1-N 2.84Å; D289-S291 WeakPolarHBondContact OD2-CA 3.46Å; D289-S291 VanDerWaalsContact OD2-CB 3.26Å; D289-S291 WeakPolarHBondContact OD2-CB 3.48Å; D289-S291 PolarHBondContact OD2-N 3.43Å; D289-S291 VanDerWaalsContact OD2-N 3.1Å; D289-S291 PolarHBondContact OD2-OG 3.34Å; D289-N292 HydrophobicContact CB-CB 4.31Å; D289-N292 PolarHBondContact OD2-N 3Å; D289-R295 WeakPolarHBondContact O-CD 3.41Å
290	R	91.1	Very high	88.7	Confident	226 Å²	226	70.4 Å²	70.4	85%	0.853	35%	0.354	S	S	*	.	S	Bend	trans	-85.9	-17.9	177.8	-64.3	-178.1	178.8	-171.8	-0.8	112.8
291	S	88	Confident	88.8	Confident	101 Å²	101	68 Å²	68	71%	0.706	35%	0.346	S	S	*	.	S	Bend	trans	-79.2	-33.7	177.5	92.4	0	0	0	0	112.3	D289 P293	D289-S291 VanDerWaalsContact CG-N 3.29Å; D289-S291 PolarHBondContact OD1-N 2.84Å; D289-S291 WeakPolarHBondContact OD2-CA 3.46Å; D289-S291 VanDerWaalsContact OD2-CB 3.26Å; D289-S291 WeakPolarHBondContact OD2-CB 3.48Å; D289-S291 PolarHBondContact OD2-N 3.43Å; D289-S291 VanDerWaalsContact OD2-N 3.1Å; D289-S291 PolarHBondContact OD2-OG 3.34Å; S291-P293 VanDerWaalsContact O-CD 3.3Å; S291-P293 WeakPolarHBondContact O-CD 3.37Å
292	N	89.6	Confident	89.2	Confident	13 Å²	13	71.1 Å²	71.1	7%	0.07	36%	0.361	C	S	.	.			trans	-61.6	114.6	175.1	179.9	12.8	0	0	0	111.9	D286 D289 F294 R295	D286-N292 PolarHBondContact O-ND2 2.82Å; D289-N292 HydrophobicContact CB-CB 4.31Å; D289-N292 PolarHBondContact OD2-N 3Å; N292-F294 WeakPolarHBondContact OD1-CB 3.42Å; N292-F294 PolarHBondContact OD1-N 3.26Å; N292-R295 HydrophobicContact CB-CB 4.42Å; N292-R295 WeakPolarHBondContact O-CB 3.33Å; N292-R295 WeakPolarHBondContact O-CD 3.4Å; N292-R295 WeakPolarHBondContact O-CG 3.43Å
293	P	91.1	Very high	89.5	Confident	52 Å²	52	74.5 Å²	74.5	34%	0.338	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-78.5	-20.7	178.4	33.9	-36.1	0	0	0	112.9	S291 R295 L307	S291-P293 VanDerWaalsContact O-CD 3.3Å; S291-P293 WeakPolarHBondContact O-CD 3.37Å; P293-R295 PolarHBondContact O-N 2.71Å; P293-L307 HydrophobicContact CB-CD1 3.99Å; P293-L307 HydrophobicContact CB-CD2 3.56Å; P293-L307 HydrophobicContact CB-CG 4.32Å; P293-L307 HydrophobicContact CG-CD2 4.02Å
294	F	93.8	Very high	90	Very high	3 Å²	3	73.9 Å²	73.9	1%	0.013	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-80.5	5.2	-179.2	-55.7	-76.2	0	0	0	113.7	H234 N292 F296 F304 L307 V321 R325	H234-F294 PolarHBondContact CE1-O 3.42Å; H234-F294 PolarHBondContact ND1-O 3.49Å; N292-F294 WeakPolarHBondContact OD1-CB 3.42Å; N292-F294 PolarHBondContact OD1-N 3.26Å; F294-F296 PolarHBondContact O-N 2.82Å; F294-F304 HydrophobicContact CB-CE2 4.43Å; F294-F304 AromaticContact CD1-CD2 3.88Å; F294-F304 HydrophobicContact CD1-CD2 3.88Å; F294-F304 AromaticContact CD1-CE2 3.45Å; F294-F304 HydrophobicContact CD1-CE2 3.45Å; F294-F304 VanDerWaalsContact CD1-CE2 3.45Å; F294-F304 HydrophobicContact CD1-CZ 4Å; F294-F304 HydrophobicContact CE1-CD2 4.34Å; F294-F304 HydrophobicContact CE1-CE2 4.12Å; F294-F304 HydrophobicContact CE1-CZ 4.4Å; F294-F304 HydrophobicContact CG-CE2 4.36Å; F294-L307 HydrophobicContact CD1-CB 4.1Å; F294-L307 HydrophobicContact CD1-CD1 4.18Å; F294-L307 HydrophobicContact CE1-CB 3.42Å; F294-L307 VanDerWaalsContact CE1-CB 3.42Å; F294-L307 HydrophobicContact CE1-CD1 4.34Å; F294-L307 HydrophobicContact CZ-CB 3.77Å; F294-V321 HydrophobicContact CE1-CG2 4.37Å; F294-V321 HydrophobicContact CZ-CG2 4.2Å; F294-R325 PolarHBondContact O-NH2 3.02Å
295	R	92.1	Very high	90.3	Very high	81 Å²	81	71.2 Å²	71.2	31%	0.306	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-74.1	-15.9	-174.8	73.6	-177.6	-175.8	75.2	1.7	115.7	D289 N292 P293	D289-R295 WeakPolarHBondContact O-CD 3.41Å; N292-R295 HydrophobicContact CB-CB 4.42Å; N292-R295 WeakPolarHBondContact O-CB 3.33Å; N292-R295 WeakPolarHBondContact O-CD 3.4Å; N292-R295 WeakPolarHBondContact O-CG 3.43Å; P293-R295 PolarHBondContact O-N 2.71Å
296	F	91.6	Very high	90.6	Very high	109 Å²	109	67.9 Å²	67.9	48%	0.478	34%	0.336	S	S	.	.			trans	-81.4	135.8	178.9	-60.3	-88.7	0	0	0	109.3	F294 I299 R325	F294-F296 PolarHBondContact O-N 2.82Å; F296-I299 HydrophobicContact CB-CD1 4.1Å; F296-I299 HydrophobicContact CB-CG1 3.86Å; F296-I299 WeakPolarHBondContact O-CD1 3.38Å; F296-I299 WeakPolarHBondContact O-CG1 3.5Å; F296-R325 PolarHBondContact O-NH2 2.9Å
297	A	82.7	Confident	91	Very high	58 Å²	58	67.6 Å²	67.6	48%	0.479	33%	0.334	S	S	.	.	S	Bend	trans	-61.4	-55.4	175	0	0	0	0	0	110.8	I299 R325	A297-I299 PolarHBondContact O-N 3.5Å; A297-R325 PolarHBondContact O-NE 3.07Å
298	N	86.2	Confident	91.2	Very high	159 Å²	159	63.5 Å²	63.5	85%	0.85	32%	0.315	S	S	*	.			trans	-86.9	93.3	-175.3	-54.2	29	0	0	0	110.2
299	I	91.4	Very high	91.4	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.087	28%	0.278	C	S	.	.			trans	-124.8	118.1	171.9	-55.9	174.5	0	0	0	107.4	F296 A297 K303 F304 L307 F327	F296-I299 HydrophobicContact CB-CD1 4.1Å; F296-I299 HydrophobicContact CB-CG1 3.86Å; F296-I299 WeakPolarHBondContact O-CD1 3.38Å; F296-I299 WeakPolarHBondContact O-CG1 3.5Å; A297-I299 PolarHBondContact O-N 3.5Å; I299-K303 HydrophobicContact CG2-CB 4.07Å; I299-K303 HydrophobicContact CG2-CG 4.09Å; I299-F304 HydrophobicContact CB-CD2 4.34Å; I299-F304 HydrophobicContact CD1-CD2 4.29Å; I299-F304 HydrophobicContact CG2-CB 4Å; I299-F304 HydrophobicContact CG2-CD2 4.16Å; I299-L307 HydrophobicContact CD1-CD1 4.26Å; I299-L307 HydrophobicContact CG2-CD1 4.4Å; I299-F327 WeakPolarHBondContact O-CE1 3.08Å
300	G	85.5	Confident	91.6	Very high	30 Å²	30	53.9 Å²	53.9	31%	0.309	28%	0.277	S	S	.	.			trans	-64.5	152.2	176.8	0	0	0	0	0	112.6	E302 K303 F304	G300-E302 PolarHBondContact O-N 2.91Å; G300-K303 PolarHBondContact O-N 2.68Å; G300-F304 PolarHBondContact O-N 2.88Å
301	V	87.7	Confident	91.5	Very high	16 Å²	16	45.4 Å²	45.4	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-42.9	-165.6	69	0	0	0	0	113.7	K303 F304 L305 F327 V331 L334 I366	V301-K303 VanDerWaalsContact C-N 3.33Å; V301-K303 PolarHBondContact O-N 2.79Å; V301-F304 PolarHBondContact O-N 3.2Å; V301-L305 PolarHBondContact O-N 2.69Å; V301-L305 VanDerWaalsContact O-N 3.08Å; V301-F327 HydrophobicContact CB-CB 4.39Å; V301-F327 HydrophobicContact CB-CD1 3.92Å; V301-F327 HydrophobicContact CB-CD2 4.4Å; V301-F327 HydrophobicContact CB-CE1 4.25Å; V301-F327 HydrophobicContact CB-CG 4.01Å; V301-F327 HydrophobicContact CG2-CD1 4.36Å; V301-F327 HydrophobicContact CG2-CD2 4.01Å; V301-F327 HydrophobicContact CG2-CE1 4.47Å; V301-F327 HydrophobicContact CG2-CE2 4.13Å; V301-F327 HydrophobicContact CG2-CG 4.14Å; V301-F327 HydrophobicContact CG2-CZ 4.36Å; V301-V331 HydrophobicContact CG2-CG1 4Å; V301-L334 HydrophobicContact CG1-CD2 4.47Å; V301-L334 HydrophobicContact CG2-CB 3.99Å; V301-L334 HydrophobicContact CG2-CD2 4.21Å; V301-I366 HydrophobicContact CG2-CD1 3.69Å; V301-I366 WeakPolarHBondContact O-CD1 3.3Å
302	E	89	Confident	91.5	Very high	65 Å²	65	44.9 Å²	44.9	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-69.6	-32.9	178.7	-35.5	101.1	104.5	0	0	111.7	V182 R185 G300 L305 E306 L334	V182-E302 HydrophobicContact CG1-CG 3.6Å; V182-E302 HydrophobicContact CG2-CG 4.23Å; R185-E302 IonicContact CZ-OE1 2.94Å; R185-E302 VanDerWaalsContact CZ-OE1 3.3Å; R185-E302 IonicContact NH1-OE1 3.75Å; R185-E302 PolarHBondContact NH1-OE1 3.02Å; R185-E302 IonicContact NH2-OE1 2.69Å; R185-E302 PolarHBondContact NH2-OE1 2.82Å; G300-E302 PolarHBondContact O-N 2.91Å; E302-L305 PolarHBondContact O-N 3.48Å; E302-E306 WeakPolarHBondContact O-CB 3.48Å; E302-E306 PolarHBondContact O-N 2.8Å; E302-L334 HydrophobicContact CB-CD2 4.45Å; E302-L334 HydrophobicContact CG-CD2 4.37Å
303	K	93.4	Very high	91.6	Very high	76 Å²	76	44.2 Å²	44.2	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-71.7	-33.4	176.5	-176.5	54.7	-170.4	151.9	0	111.1	I299 G300 V301 E306 L307 E310	I299-K303 HydrophobicContact CG2-CB 4.07Å; I299-K303 HydrophobicContact CG2-CG 4.09Å; G300-K303 PolarHBondContact O-N 2.68Å; V301-K303 VanDerWaalsContact C-N 3.33Å; V301-K303 PolarHBondContact O-N 2.79Å; K303-E306 HydrophobicContact CD-CB 4.2Å; K303-E306 WeakPolarHBondContact CD-OE2 3.28Å; K303-E306 WeakPolarHBondContact CE-OE2 3.32Å; K303-E306 IonicContact NZ-OE2 2.71Å; K303-E306 PolarHBondContact NZ-OE2 2.56Å; K303-E306 PolarHBondContact O-N 2.98Å; K303-L307 HydrophobicContact CD-CG 4.32Å; K303-L307 VanDerWaalsContact O-CG 3.28Å; K303-L307 WeakPolarHBondContact O-CG 3.36Å; K303-L307 PolarHBondContact O-N 2.79Å; K303-E310 IonicContact NZ-OE1 2.91Å; K303-E310 PolarHBondContact NZ-OE1 3.1Å; K303-E310 IonicContact NZ-OE2 3.5Å; K303-E310 PolarHBondContact NZ-OE2 3.26Å
304	F	96.1	Very high	91.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-43.1	174	-161.8	-104.3	0	0	0	111.2	D233 F294 I299 G300 V301 L307 N308 V321 T323 F327 I366	D233-F304 WeakPolarHBondContact OD2-CZ 3.37Å; F294-F304 HydrophobicContact CB-CE2 4.43Å; F294-F304 AromaticContact CD1-CD2 3.88Å; F294-F304 HydrophobicContact CD1-CD2 3.88Å; F294-F304 AromaticContact CD1-CE2 3.45Å; F294-F304 HydrophobicContact CD1-CE2 3.45Å; F294-F304 VanDerWaalsContact CD1-CE2 3.45Å; F294-F304 HydrophobicContact CD1-CZ 4Å; F294-F304 HydrophobicContact CE1-CD2 4.34Å; F294-F304 HydrophobicContact CE1-CE2 4.12Å; F294-F304 HydrophobicContact CE1-CZ 4.4Å; F294-F304 HydrophobicContact CG-CE2 4.36Å; I299-F304 HydrophobicContact CB-CD2 4.34Å; I299-F304 HydrophobicContact CD1-CD2 4.29Å; I299-F304 HydrophobicContact CG2-CB 4Å; I299-F304 HydrophobicContact CG2-CD2 4.16Å; G300-F304 PolarHBondContact O-N 2.88Å; V301-F304 PolarHBondContact O-N 3.2Å; F304-L307 PolarHBondContact O-N 3.15Å; F304-N308 PolarHBondContact O-N 3.08Å; F304-V321 HydrophobicContact CE1-CB 3.95Å; F304-V321 HydrophobicContact CE1-CG1 3.7Å; F304-V321 HydrophobicContact CZ-CB 4.35Å; F304-V321 HydrophobicContact CZ-CG1 3.61Å; F304-T323 HydrophobicContact CD1-CG2 4.49Å; F304-T323 HydrophobicContact CE1-CG2 3.84Å; F304-T323 HydrophobicContact CZ-CG2 4.11Å; F304-F327 HydrophobicContact CB-CE1 4.21Å; F304-F327 HydrophobicContact CB-CZ 4.14Å; F304-F327 AromaticContact CD1-CZ 3.88Å; F304-F327 HydrophobicContact CD1-CZ 3.88Å; F304-F327 HydrophobicContact CG-CE1 4.41Å; F304-F327 HydrophobicContact CG-CZ 4.03Å; F304-I366 HydrophobicContact CB-CD1 4.03Å; F304-I366 HydrophobicContact CD1-CB 3.99Å; F304-I366 HydrophobicContact CD1-CD1 3.72Å; F304-I366 HydrophobicContact CD1-CG1 4.45Å; F304-I366 HydrophobicContact CD1-CG2 3.73Å; F304-I366 HydrophobicContact CE1-CB 4.33Å; F304-I366 HydrophobicContact CE1-CG2 4.1Å; F304-I366 HydrophobicContact CG-CD1 4.37Å
305	L	96.1	Very high	90.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-38.3	171.8	179.4	59.8	0	0	0	112.4	M186 V301 E302 L307 N308 S309 L334 I366	M186-L305 HydrophobicContact CE-CD2 3.62Å; V301-L305 PolarHBondContact O-N 2.69Å; V301-L305 VanDerWaalsContact O-N 3.08Å; E302-L305 PolarHBondContact O-N 3.48Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 3.24Å; L305-N308 PolarHBondContact O-N 3.06Å; L305-S309 WeakPolarHBondContact O-CB 3.45Å; L305-S309 PolarHBondContact O-N 2.96Å; L305-S309 PolarHBondContact O-OG 3.33Å; L305-L334 HydrophobicContact CB-CD2 4.3Å; L305-L334 HydrophobicContact CD2-CB 4.2Å; L305-L334 HydrophobicContact CD2-CD2 3.81Å; L305-L334 HydrophobicContact CD2-CG 3.73Å; L305-I366 HydrophobicContact CB-CD1 3.97Å; L305-I366 HydrophobicContact CB-CG1 4.21Å; L305-I366 HydrophobicContact CB-CG2 4.32Å; L305-I366 HydrophobicContact CD1-CG2 4.12Å
306	E	94.5	Very high	90.5	Very high	41 Å²	41	46 Å²	46	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-41.3	175.7	-165.5	-168.1	-153.3	0	0	111.4	E302 K303 N308 S309 E310 K358 K360	E302-E306 WeakPolarHBondContact O-CB 3.48Å; E302-E306 PolarHBondContact O-N 2.8Å; K303-E306 HydrophobicContact CD-CB 4.2Å; K303-E306 WeakPolarHBondContact CD-OE2 3.28Å; K303-E306 WeakPolarHBondContact CE-OE2 3.32Å; K303-E306 IonicContact NZ-OE2 2.71Å; K303-E306 PolarHBondContact NZ-OE2 2.56Å; K303-E306 PolarHBondContact O-N 2.98Å; E306-N308 VanDerWaalsContact C-N 3.32Å; E306-N308 PolarHBondContact O-N 3.24Å; E306-S309 CarbonylContact O-C 3.54Å; E306-S309 WeakPolarHBondContact O-CA 3.38Å; E306-S309 WeakPolarHBondContact O-CB 3.44Å; E306-S309 PolarHBondContact O-N 3.03Å; E306-E310 HydrophobicContact CG-CG 4.28Å; E306-E310 WeakPolarHBondContact O-CG 3.35Å; E306-E310 PolarHBondContact O-N 3.43Å; E306-K358 VanDerWaalsContact CD-NZ 3.32Å; E306-K358 IonicContact OE1-NZ 2.68Å; E306-K358 PolarHBondContact OE1-NZ 3.43Å; E306-K358 IonicContact OE2-NZ 3.76Å; E306-K358 PolarHBondContact OE2-NZ 3.49Å; E306-K360 HydrophobicContact CG-CD 4.34Å; E306-K360 WeakPolarHBondContact OE1-CE 3.32Å; E306-K360 IonicContact OE1-NZ 2.73Å; E306-K360 PolarHBondContact OE1-NZ 3.24Å
307	L	95.9	Very high	90.7	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-29.2	177.2	-71.9	175.7	0	0	0	113.6	P293 F294 I299 K303 F304 L305 E310 Q311	P293-L307 HydrophobicContact CB-CD1 3.99Å; P293-L307 HydrophobicContact CB-CD2 3.56Å; P293-L307 HydrophobicContact CB-CG 4.32Å; P293-L307 HydrophobicContact CG-CD2 4.02Å; F294-L307 HydrophobicContact CD1-CB 4.1Å; F294-L307 HydrophobicContact CD1-CD1 4.18Å; F294-L307 HydrophobicContact CE1-CB 3.42Å; F294-L307 VanDerWaalsContact CE1-CB 3.42Å; F294-L307 HydrophobicContact CE1-CD1 4.34Å; F294-L307 HydrophobicContact CZ-CB 3.77Å; I299-L307 HydrophobicContact CD1-CD1 4.26Å; I299-L307 HydrophobicContact CG2-CD1 4.4Å; K303-L307 HydrophobicContact CD-CG 4.32Å; K303-L307 VanDerWaalsContact O-CG 3.28Å; K303-L307 WeakPolarHBondContact O-CG 3.36Å; K303-L307 PolarHBondContact O-N 2.79Å; F304-L307 PolarHBondContact O-N 3.15Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 3.24Å; L307-E310 WeakPolarHBondContact CD2-OE2 3.09Å; L307-Q311 PolarHBondContact O-NE2 2.03Å
308	N	96.8	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-44.9	165.6	-173	15.5	0	0	0	110.5	F304 L305 E306 E310 Q311 H313 A319 V321 G365 I366	F304-N308 PolarHBondContact O-N 3.08Å; L305-N308 PolarHBondContact O-N 3.06Å; E306-N308 VanDerWaalsContact C-N 3.32Å; E306-N308 PolarHBondContact O-N 3.24Å; N308-E310 PolarHBondContact O-N 2.04Å; N308-Q311 WeakPolarHBondContact O-CB 3.45Å; N308-Q311 PolarHBondContact O-N 2.81Å; N308-H313 PolarHBondContact O-NE2 3.39Å; N308-H313 PolarHBondContact OD1-NE2 3.49Å; N308-A319 PolarHBondContact ND2-O 3.4Å; N308-V321 HydrophobicContact CB-CG2 3.7Å; N308-G365 PolarHBondContact ND2-O 3.27Å; N308-I366 HydrophobicContact CB-CG2 4.45Å
309	S	96.8	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-24.2	-174.9	-51.2	0	0	0	0	114.4	L305 E306 Q311 W336 K360 S361 T364	L305-S309 WeakPolarHBondContact O-CB 3.45Å; L305-S309 PolarHBondContact O-N 2.96Å; L305-S309 PolarHBondContact O-OG 3.33Å; E306-S309 CarbonylContact O-C 3.54Å; E306-S309 WeakPolarHBondContact O-CA 3.38Å; E306-S309 WeakPolarHBondContact O-CB 3.44Å; E306-S309 PolarHBondContact O-N 3.03Å; S309-Q311 PolarHBondContact O-N 2.89Å; S309-W336 PolarHBondContact OG-NE1 2.98Å; S309-K360 CarbonylContact O-C 3.55Å; S309-K360 WeakPolarHBondContact O-CA 3.15Å; S309-K360 WeakPolarHBondContact O-CB 3.14Å; S309-S361 WeakPolarHBondContact CA-O 3.35Å; S309-S361 PolarHBondContact O-N 3.45Å; S309-T364 PolarHBondContact OG-OG1 2.83Å
310	E	94.6	Very high	92.3	Very high	69 Å²	69	29.7 Å²	29.7	32%	0.322	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.3	175.5	-78.3	169.8	175.4	0	0	113.5	K303 E306 L307 N308 K358 K360	K303-E310 IonicContact NZ-OE1 2.91Å; K303-E310 PolarHBondContact NZ-OE1 3.1Å; K303-E310 IonicContact NZ-OE2 3.5Å; K303-E310 PolarHBondContact NZ-OE2 3.26Å; E306-E310 HydrophobicContact CG-CG 4.28Å; E306-E310 WeakPolarHBondContact O-CG 3.35Å; E306-E310 PolarHBondContact O-N 3.43Å; L307-E310 WeakPolarHBondContact CD2-OE2 3.09Å; N308-E310 PolarHBondContact O-N 2.04Å; E310-K358 HydrophobicContact CG-CD 4.28Å; E310-K358 WeakPolarHBondContact OE1-CD 3.38Å; E310-K358 WeakPolarHBondContact OE1-CE 3.42Å; E310-K358 IonicContact OE1-NZ 2.63Å; E310-K358 PolarHBondContact OE1-NZ 2.61Å; E310-K360 HydrophobicContact CG-CD 4.36Å; E310-K360 HydrophobicContact CG-CG 4.33Å
311	Q	88.7	Confident	92.9	Very high	48 Å²	48	28.4 Å²	28.4	22%	0.224	14%	0.14	C	C	.	.	S	Bend	trans	-90	163.5	173.9	-61.5	166	55.4	0	0	111.2	L307 N308 S309 S361	L307-Q311 PolarHBondContact O-NE2 2.03Å; N308-Q311 WeakPolarHBondContact O-CB 3.45Å; N308-Q311 PolarHBondContact O-N 2.81Å; S309-Q311 PolarHBondContact O-N 2.89Å; Q311-S361 WeakPolarHBondContact O-CB 3.46Å
312	N	87.1	Confident	93.3	Very high	89 Å²	89	27.6 Å²	27.6	48%	0.476	14%	0.135	S	C	.	.			trans	-92	123.6	171.5	-175.1	-58.6	0	0	0	110.2	D314 S351	N312-D314 PolarHBondContact ND2-OD2 2.8Å; N312-D314 VanDerWaalsContact OD1-CB 3.25Å; N312-D314 WeakPolarHBondContact OD1-CB 3.4Å; N312-D314 VanDerWaalsContact OD1-CG 3.25Å; N312-D314 PolarHBondContact OD1-N 2.81Å; N312-D314 PolarHBondContact OD1-OD2 2.91Å; N312-S351 VanDerWaalsContact ND2-CB 3.31Å; N312-S351 WeakPolarHBondContact ND2-CB 3.38Å
313	H	93.1	Very high	93.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.			trans	-122	28.9	179.6	-57	-56.9	0	0	0	112.7	F229 N308 D315 Y316 A319 S361 N363 T364	F229-H313 AromaticContact CD1-CE1 3.8Å; F229-H313 AromaticContact CD1-ND1 3.47Å; F229-H313 WeakPolarHBondContact CD1-ND1 3.46Å; F229-H313 AromaticContact CE1-CE1 3.81Å; F229-H313 AromaticContact CE1-ND1 3.78Å; N308-H313 PolarHBondContact O-NE2 3.39Å; N308-H313 PolarHBondContact OD1-NE2 3.49Å; H313-D315 PolarHBondContact O-N 2.03Å; H313-Y316 HydrophobicContact CB-CD2 4.23Å; H313-Y316 PolarHBondContact O-N 3.16Å; H313-A319 HydrophobicContact CB-CB 3.84Å; H313-A319 WeakPolarHBondContact ND1-CB 3.27Å; H313-S361 PolarHBondContact N-OG 3.25Å; H313-N363 WeakPolarHBondContact CB-OD1 3.35Å; H313-N363 PolarHBondContact O-ND2 3.07Å; H313-N363 VanDerWaalsContact O-ND2 3.1Å; H313-T364 WeakPolarHBondContact CD2-CG2 3.41Å
314	D	84.8	Confident	93.7	Very high	40 Å²	40	22 Å²	22	21%	0.214	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.2	-172.5	-73.1	-26.9	0	0	0	113.9	N312 K350 S351	N312-D314 PolarHBondContact ND2-OD2 2.8Å; N312-D314 VanDerWaalsContact OD1-CB 3.25Å; N312-D314 WeakPolarHBondContact OD1-CB 3.4Å; N312-D314 VanDerWaalsContact OD1-CG 3.25Å; N312-D314 PolarHBondContact OD1-N 2.81Å; N312-D314 PolarHBondContact OD1-OD2 2.91Å; D314-K350 HydrophobicContact CB-CD 3.85Å; D314-K350 PolarHBondContact O-NZ 3.21Å; D314-K350 VanDerWaalsContact OD1-CA 3.24Å; D314-K350 WeakPolarHBondContact OD1-CA 3.49Å; D314-K350 WeakPolarHBondContact OD1-CD 2.94Å; D314-S351 PolarHBondContact OD1-N 2.85Å
315	D	81.7	Confident	93.5	Very high	110 Å²	110	22.5 Å²	22.5	59%	0.588	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	0.4	-178.9	-67.2	-35.7	0	0	0	114.2	K277 H313	K277-D315 PolarHBondContact NZ-O 2.92Å; H313-D315 PolarHBondContact O-N 2.03Å
316	Y	87.5	Confident	92.8	Very high	22 Å²	22	25.7 Å²	25.7	9%	0.086	13%	0.13	C	C	.	.	S	Bend	trans	-126.6	153.7	-173.5	-45.4	-80.8	0	0	0	111.5	F229 K277 R278 H313 N363	F229-Y316 HydrophobicContact CB-CD1 3.64Å; F229-Y316 HydrophobicContact CB-CD2 3.81Å; F229-Y316 HydrophobicContact CB-CE1 3.84Å; F229-Y316 HydrophobicContact CB-CE2 4.01Å; F229-Y316 HydrophobicContact CB-CG 3.63Å; F229-Y316 HydrophobicContact CD1-CD2 4.26Å; F229-Y316 AromaticContact CD1-CE2 3.99Å; F229-Y316 HydrophobicContact CD1-CE2 3.99Å; F229-Y316 HydrophobicContact CG-CD2 4.37Å; F229-Y316 HydrophobicContact CG-CE1 4.38Å; F229-Y316 HydrophobicContact CG-CE2 4.15Å; K277-Y316 HydrophobicContact CB-CD1 4.14Å; K277-Y316 HydrophobicContact CB-CE1 4.16Å; K277-Y316 HydrophobicContact CD-CD1 3.79Å; K277-Y316 HydrophobicContact CD-CE1 3.81Å; K277-Y316 HydrophobicContact CG-CD1 4.35Å; K277-Y316 HydrophobicContact CG-CE1 4.1Å; R278-Y316 HydrophobicContact CB-CE1 3.97Å; R278-Y316 VanDerWaalsContact CD-OH 3.28Å; R278-Y316 WeakPolarHBondContact CD-OH 3.26Å; H313-Y316 HydrophobicContact CB-CD2 4.23Å; H313-Y316 PolarHBondContact O-N 3.16Å; Y316-N363 PolarHBondContact O-ND2 2.91Å
317	C	95.4	Very high	92.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	12%	0.123	C	C	.	.	S	Bend	trans	-70.5	-43.6	171.3	168.6	0	0	0	0	111.2	C226 Q227 C348 C455 F456	C226-C317 HydrophobicContact CB-CB 3.89Å; C226-C317 WeakPolarHBondContact CB-SG 3.35Å; C226-C317 WeakPolarHBondContact SG-CB 3.47Å; C226-C317 CovalentContact SG-SG 2.04Å; C226-C317 PolarHBondContact SG-SG 3.43Å; Q227-C317 WeakPolarHBondContact O-CA 3.37Å; Q227-C317 WeakPolarHBondContact O-CB 3.27Å; Q227-C317 PolarHBondContact O-N 3.04Å; C317-C348 PolarHBondContact O-N 3.03Å; C317-C348 VanDerWaalsContact O-N 3.15Å; C317-C455 WeakPolarHBondContact CA-SG 3.35Å; C317-F456 WeakPolarHBondContact SG-CE2 3.4Å
318	L	98.4	Very high	91	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.1	173.6	-65.8	176.3	0	0	0	111.5	Q227 L228 F229 Y320 I347 N363 V389 N392 F393	Q227-L318 PolarHBondContact O-N 3.46Å; L228-L318 WeakPolarHBondContact CA-O 3.29Å; L228-L318 HydrophobicContact CD2-CB 3.83Å; F229-L318 PolarHBondContact N-O 3.38Å; L318-Y320 HydrophobicContact CB-CD2 4.43Å; L318-Y320 HydrophobicContact CB-CE2 4.28Å; L318-Y320 HydrophobicContact CD1-CE2 4.29Å; L318-I347 HydrophobicContact CD1-CG2 3.99Å; L318-I347 HydrophobicContact CD2-CG2 3.93Å; L318-I347 HydrophobicContact CG-CG2 3.97Å; L318-N363 CarbonylContact C-O 3.56Å; L318-N363 VanDerWaalsContact CA-O 3.29Å; L318-N363 WeakPolarHBondContact CA-O 3.44Å; L318-N363 HydrophobicContact CD2-CB 4.16Å; L318-V389 HydrophobicContact CD1-CG1 4.09Å; L318-N392 HydrophobicContact CD1-CB 3.78Å; L318-N392 HydrophobicContact CD2-CB 3.7Å; L318-N392 WeakPolarHBondContact CD2-OD1 3.49Å; L318-N392 HydrophobicContact CG-CB 4.42Å; L318-F393 HydrophobicContact CD1-CD2 4.36Å; L318-F393 HydrophobicContact CD1-CE2 3.97Å
319	A	96.4	Very high	89.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.2	175.2	0	0	0	0	0	112.5	F229 N308 H313 N363 T364 G365	F229-A319 HydrophobicContact CB-CB 4.06Å; F229-A319 HydrophobicContact CD1-CB 4Å; F229-A319 HydrophobicContact CG-CB 4.46Å; F229-A319 CarbonylContact O-C 3.46Å; F229-A319 VanDerWaalsContact O-CA 3.31Å; F229-A319 WeakPolarHBondContact O-CA 3.11Å; N308-A319 PolarHBondContact ND2-O 3.4Å; H313-A319 HydrophobicContact CB-CB 3.84Å; H313-A319 WeakPolarHBondContact ND1-CB 3.27Å; A319-N363 PolarHBondContact N-O 3.49Å; A319-T364 HydrophobicContact CB-CG2 4.23Å; A319-T364 VanDerWaalsContact O-CA 3.3Å; A319-T364 WeakPolarHBondContact O-CA 3.44Å; A319-G365 PolarHBondContact O-N 3.18Å
320	Y	98.4	Very high	87.8	Confident	1 Å²	1	35 Å²	35	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.1	-174.2	-91.2	-103.7	0	0	0	113.4	F229 Q231 L318 G365 I367 F385 E388 V389 N392	F229-Y320 PolarHBondContact O-N 3.44Å; Q231-Y320 PolarHBondContact N-O 2.78Å; L318-Y320 HydrophobicContact CB-CD2 4.43Å; L318-Y320 HydrophobicContact CB-CE2 4.28Å; L318-Y320 HydrophobicContact CD1-CE2 4.29Å; Y320-G365 WeakPolarHBondContact CA-O 3.13Å; Y320-I367 HydrophobicContact CD1-CG2 4.43Å; Y320-I367 HydrophobicContact CE1-CG2 4.23Å; Y320-F385 HydrophobicContact CD1-CD2 4.06Å; Y320-F385 AromaticContact CD1-CE2 3.65Å; Y320-F385 HydrophobicContact CD1-CE2 3.65Å; Y320-F385 HydrophobicContact CD2-CE2 4.13Å; Y320-F385 AromaticContact CE1-CD2 3.89Å; Y320-F385 HydrophobicContact CE1-CD2 3.89Å; Y320-F385 AromaticContact CE1-CE2 3.75Å; Y320-F385 HydrophobicContact CE1-CE2 3.75Å; Y320-F385 HydrophobicContact CE2-CE2 4.24Å; Y320-F385 AromaticContact CG-CE2 3.85Å; Y320-F385 HydrophobicContact CG-CE2 3.85Å; Y320-E388 HydrophobicContact CE1-CB 3.92Å; Y320-E388 WeakPolarHBondContact OH-CB 3.32Å; Y320-E388 PolarHBondContact OH-O 2.91Å; Y320-V389 HydrophobicContact CE2-CG2 4.03Å; Y320-V389 PolarHBondContact OH-N 3.01Å; Y320-N392 PolarHBondContact OH-ND2 3.43Å
321	V	97.9	Very high	86.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.2	163.5	-168.5	0	0	0	0	109.6	Q231 F294 F304 N308 G365 I366 I367	Q231-V321 HydrophobicContact CB-CG1 4.42Å; Q231-V321 HydrophobicContact CB-CG2 4.18Å; Q231-V321 CarbonylContact O-C 3.46Å; Q231-V321 WeakPolarHBondContact O-CA 3.35Å; F294-V321 HydrophobicContact CE1-CG2 4.37Å; F294-V321 HydrophobicContact CZ-CG2 4.2Å; F304-V321 HydrophobicContact CE1-CB 3.95Å; F304-V321 HydrophobicContact CE1-CG1 3.7Å; F304-V321 HydrophobicContact CZ-CB 4.35Å; F304-V321 HydrophobicContact CZ-CG1 3.61Å; N308-V321 HydrophobicContact CB-CG2 3.7Å; V321-G365 PolarHBondContact N-O 3.5Å; V321-I366 HydrophobicContact CB-CG2 4.14Å; V321-I366 WeakPolarHBondContact O-CA 3.35Å; V321-I367 PolarHBondContact O-N 2.92Å; V321-I367 VanDerWaalsContact O-N 3.11Å
322	F	97.1	Very high	86.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.8	174.7	-77.8	43.9	0	0	0	108.6	I230 Q231 T232 D233 F236 H253 I367 F385	I230-F322 HydrophobicContact CG2-CD1 3.87Å; I230-F322 HydrophobicContact CG2-CE1 3.87Å; I230-F322 HydrophobicContact CG2-CG 4.42Å; I230-F322 HydrophobicContact CG2-CZ 4.38Å; Q231-F322 PolarHBondContact O-N 3.39Å; T232-F322 HydrophobicContact CG2-CB 3.78Å; D233-F322 PolarHBondContact N-O 3.11Å; F236-F322 HydrophobicContact CD2-CB 3.9Å; F236-F322 HydrophobicContact CE2-CB 3.82Å; F236-F322 AromaticContact CE2-CD2 3.9Å; F236-F322 HydrophobicContact CE2-CD2 3.9Å; F236-F322 HydrophobicContact CE2-CG 4.39Å; F236-F322 HydrophobicContact CG-CB 4.38Å; F236-F322 HydrophobicContact CZ-CB 4.26Å; F236-F322 AromaticContact CZ-CD2 3.89Å; F236-F322 HydrophobicContact CZ-CD2 3.89Å; H253-F322 HydrophobicContact CB-CE2 3.84Å; H253-F322 HydrophobicContact CB-CZ 4Å; H253-F322 AromaticContact CD2-CE2 3.86Å; H253-F322 AromaticContact CG-CE2 3.7Å; F322-I367 HydrophobicContact CD1-CD1 4.08Å; F322-I367 HydrophobicContact CD1-CG1 3.87Å; F322-I367 HydrophobicContact CD2-CD1 3.88Å; F322-I367 HydrophobicContact CD2-CG1 4.18Å; F322-I367 HydrophobicContact CE1-CD1 3.84Å; F322-I367 HydrophobicContact CE1-CG1 4.08Å; F322-I367 HydrophobicContact CE2-CD1 3.66Å; F322-I367 HydrophobicContact CE2-CG1 4.4Å; F322-I367 HydrophobicContact CG-CD1 4.09Å; F322-I367 HydrophobicContact CG-CG1 3.91Å; F322-I367 HydrophobicContact CZ-CD1 3.63Å; F322-I367 HydrophobicContact CZ-CG1 4.34Å; F322-F385 HydrophobicContact CE1-CD2 4.46Å; F322-F385 HydrophobicContact CE1-CE2 4.06Å; F322-F385 HydrophobicContact CE1-CZ 4.16Å; F322-F385 HydrophobicContact CZ-CD1 4.31Å; F322-F385 HydrophobicContact CZ-CD2 4.43Å; F322-F385 HydrophobicContact CZ-CE1 4.07Å; F322-F385 HydrophobicContact CZ-CE2 4.22Å; F322-F385 HydrophobicContact CZ-CG 4.48Å; F322-F385 HydrophobicContact CZ-CZ 4.03Å
323	T	97.3	Very high	86.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158	-175.5	-165.2	0	0	0	0	113	D233 F304 R325 F327 I367 T368 V369	D233-T323 PolarHBondContact OD1-OG1 3.23Å; D233-T323 VanDerWaalsContact OD2-CB 3.31Å; D233-T323 WeakPolarHBondContact OD2-CB 3.28Å; D233-T323 PolarHBondContact OD2-OG1 3.28Å; F304-T323 HydrophobicContact CD1-CG2 4.49Å; F304-T323 HydrophobicContact CE1-CG2 3.84Å; F304-T323 HydrophobicContact CZ-CG2 4.11Å; T323-R325 HydrophobicContact CG2-CB 4.01Å; T323-R325 HydrophobicContact CG2-CG 4.46Å; T323-R325 PolarHBondContact OG1-NH1 3.2Å; T323-F327 HydrophobicContact CG2-CE2 3.98Å; T323-F327 HydrophobicContact CG2-CZ 3.93Å; T323-I367 PolarHBondContact N-O 3.33Å; T323-T368 VanDerWaalsContact O-CA 3.26Å; T323-T368 WeakPolarHBondContact O-CA 3.26Å; T323-T368 PolarHBondContact O-OG1 2.78Å; T323-V369 PolarHBondContact O-N 3.5Å
324	D	94.1	Very high	86.4	Confident	23 Å²	23	26.2 Å²	26.2	12%	0.123	14%	0.139	C	C	.	.			trans	-110.1	74.1	166.9	-171	55.6	0	0	0	107.3	L235 V369 H375	L235-D324 HydrophobicContact CB-CB 4.16Å; D324-V369 HydrophobicContact CB-CG2 4.09Å; D324-H375 IonicContact OD1-ND1 3.15Å
325	R	90.8	Very high	86.9	Confident	10 Å²	10	24.3 Å²	24.3	4%	0.038	13%	0.129	C	C	.	.			trans	-128.5	126.9	177.5	-82.9	-170	-177	75.1	-1	111.1	D233 L235 F294 F296 A297 T323 F327 T368	D233-R325 IonicContact OD2-CZ 3.88Å; D233-R325 IonicContact OD2-NH1 2.72Å; D233-R325 PolarHBondContact OD2-NH1 2.88Å; L235-R325 HydrophobicContact CD1-CG 3.58Å; F294-R325 PolarHBondContact O-NH2 3.02Å; F296-R325 PolarHBondContact O-NH2 2.9Å; A297-R325 PolarHBondContact O-NE 3.07Å; T323-R325 HydrophobicContact CG2-CB 4.01Å; T323-R325 HydrophobicContact CG2-CG 4.46Å; T323-R325 PolarHBondContact OG1-NH1 3.2Å; R325-F327 HydrophobicContact CB-CD1 4.48Å; R325-F327 HydrophobicContact CB-CE1 4.21Å; R325-F327 HydrophobicContact CB-CZ 4.3Å; R325-F327 PolarHBondContact O-N 2.86Å; R325-T368 PolarHBondContact N-OG1 2.88Å; R325-T368 VanDerWaalsContact N-OG1 3.08Å; R325-T368 WeakPolarHBondContact O-CB 3.31Å; R325-T368 WeakPolarHBondContact O-CG2 3.37Å; R325-T368 PolarHBondContact O-OG1 3Å
326	D	81.5	Confident	87.6	Confident	69 Å²	69	19.9 Å²	19.9	37%	0.369	10%	0.104	S	C	.	.			trans	-68.4	107.8	161.4	-151.6	17.6	0	0	0	108.8	Q370 N371 Y372 A373	D326-Q370 HydrophobicContact CB-CG 4.18Å; D326-N371 WeakPolarHBondContact OD1-CA 3.34Å; D326-Y372 WeakPolarHBondContact OD1-CA 3.48Å; D326-Y372 PolarHBondContact OD1-N 3.4Å; D326-Y372 WeakPolarHBondContact OD2-CA 3.47Å; D326-A373 PolarHBondContact OD2-N 2.85Å
327	F	80.5	Confident	87.9	Confident	9 Å²	9	20.5 Å²	20.5	4%	0.039	11%	0.11	C	C	.	.			trans	-89.1	151	172.9	-68.6	-57.2	0	0	0	110.4	I299 V301 F304 T323 R325 G330 V331 I366 T368	I299-F327 WeakPolarHBondContact O-CE1 3.08Å; V301-F327 HydrophobicContact CB-CB 4.39Å; V301-F327 HydrophobicContact CB-CD1 3.92Å; V301-F327 HydrophobicContact CB-CD2 4.4Å; V301-F327 HydrophobicContact CB-CE1 4.25Å; V301-F327 HydrophobicContact CB-CG 4.01Å; V301-F327 HydrophobicContact CG2-CD1 4.36Å; V301-F327 HydrophobicContact CG2-CD2 4.01Å; V301-F327 HydrophobicContact CG2-CE1 4.47Å; V301-F327 HydrophobicContact CG2-CE2 4.13Å; V301-F327 HydrophobicContact CG2-CG 4.14Å; V301-F327 HydrophobicContact CG2-CZ 4.36Å; F304-F327 HydrophobicContact CB-CE1 4.21Å; F304-F327 HydrophobicContact CB-CZ 4.14Å; F304-F327 AromaticContact CD1-CZ 3.88Å; F304-F327 HydrophobicContact CD1-CZ 3.88Å; F304-F327 HydrophobicContact CG-CE1 4.41Å; F304-F327 HydrophobicContact CG-CZ 4.03Å; T323-F327 HydrophobicContact CG2-CE2 3.98Å; T323-F327 HydrophobicContact CG2-CZ 3.93Å; R325-F327 HydrophobicContact CB-CD1 4.48Å; R325-F327 HydrophobicContact CB-CE1 4.21Å; R325-F327 HydrophobicContact CB-CZ 4.3Å; R325-F327 PolarHBondContact O-N 2.86Å; F327-G330 PolarHBondContact O-N 2.87Å; F327-V331 HydrophobicContact CB-CB 4.39Å; F327-I366 HydrophobicContact CE2-CD1 4.35Å; F327-I366 HydrophobicContact CZ-CD1 4.24Å; F327-T368 HydrophobicContact CD2-CG2 3.69Å; F327-T368 HydrophobicContact CE2-CG2 4.01Å
328	D	72.8	Confident	87.8	Confident	126 Å²	126	20.8 Å²	20.8	67%	0.674	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-56.6	156.3	174.9	-56.1	-62.6	0	0	0	111.6	G330 V331	D328-G330 PolarHBondContact O-N 2.91Å; D328-V331 WeakPolarHBondContact O-CG2 3.44Å; D328-V331 PolarHBondContact O-N 3.29Å
329	D	63.7	Low	87.6	Confident	114 Å²	114	21.7 Å²	21.7	61%	0.61	12%	0.121	S	C	*	.	G	3₁₀ helix	trans	55.2	17	-178.1	-53.2	-32.2	0	0	0	115.6	V331	D329-V331 VanDerWaalsContact C-N 3.31Å; D329-V331 HydrophobicContact CB-CG2 4.39Å; D329-V331 PolarHBondContact O-N 3.15Å
330	G	62.4	Low	87.3	Confident	3 Å²	3	24.1 Å²	24.1	3%	0.031	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	71.8	22.3	176.5	0	0	0	0	0	114.1	F327 D328 L332 N371	F327-G330 PolarHBondContact O-N 2.87Å; D328-G330 PolarHBondContact O-N 2.91Å; G330-L332 PolarHBondContact O-N 2.81Å; G330-N371 PolarHBondContact O-ND2 3.44Å
331	V	73.1	Confident	86.8	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.169	C	C	.	.			trans	-70.3	119.6	-174.9	178.7	0	0	0	0	111.5	A178 V301 F327 D328 D329 G333	A178-V331 HydrophobicContact CB-CG1 4.27Å; A178-V331 HydrophobicContact CB-CG2 4.14Å; V301-V331 HydrophobicContact CG2-CG1 4Å; F327-V331 HydrophobicContact CB-CB 4.39Å; D328-V331 WeakPolarHBondContact O-CG2 3.44Å; D328-V331 PolarHBondContact O-N 3.29Å; D329-V331 VanDerWaalsContact C-N 3.31Å; D329-V331 HydrophobicContact CB-CG2 4.39Å; D329-V331 PolarHBondContact O-N 3.15Å; V331-G333 WeakPolarHBondContact CG1-O 3.32Å
332	L	81.1	Confident	86	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	20%	0.198	C	C	.	.			trans	-87.5	-17.2	-178.3	-69.8	173.5	0	0	0	114.6	G330 T368 N371 V376 V380 T384	G330-L332 PolarHBondContact O-N 2.81Å; L332-T368 HydrophobicContact CD2-CG2 4.47Å; L332-T368 PolarHBondContact O-N 2.81Å; L332-N371 HydrophobicContact CD2-CB 3.72Å; L332-N371 VanDerWaalsContact CD2-ND2 3.29Å; L332-N371 WeakPolarHBondContact CD2-ND2 3.27Å; L332-V376 HydrophobicContact CD2-CG1 3.95Å; L332-V380 HydrophobicContact CD1-CG1 4.13Å; L332-T384 HydrophobicContact CB-CG2 3.72Å; L332-T384 WeakPolarHBondContact O-CG2 3.37Å
333	G	88.4	Confident	85.6	Confident	3 Å²	3	32.6 Å²	32.6	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	168	-175.7	0	0	0	0	0	112.5	V331 I366 E388	V331-G333 WeakPolarHBondContact CG1-O 3.32Å; G333-I366 VanDerWaalsContact CA-O 3.23Å; G333-I366 WeakPolarHBondContact CA-O 3.44Å; G333-E388 VanDerWaalsContact C-CD 3.48Å; G333-E388 VanDerWaalsContact C-OE1 3.31Å
334	L	90.7	Very high	85.2	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	136.7	171.5	-166.2	66.4	0	0	0	111.2	A178 V182 F183 M186 V301 E302 L305 G365 I366 E388	A178-L334 HydrophobicContact CB-CD1 3.9Å; V182-L334 HydrophobicContact CG1-CD2 4.45Å; F183-L334 HydrophobicContact CZ-CD1 4.45Å; M186-L334 HydrophobicContact CE-CG 4.28Å; M186-L334 HydrophobicContact SD-CD1 4.05Å; M186-L334 HydrophobicContact SD-CD2 4.01Å; M186-L334 HydrophobicContact SD-CG 4.14Å; V301-L334 HydrophobicContact CG1-CD2 4.47Å; V301-L334 HydrophobicContact CG2-CB 3.99Å; V301-L334 HydrophobicContact CG2-CD2 4.21Å; E302-L334 HydrophobicContact CB-CD2 4.45Å; E302-L334 HydrophobicContact CG-CD2 4.37Å; L305-L334 HydrophobicContact CB-CD2 4.3Å; L305-L334 HydrophobicContact CD2-CB 4.2Å; L305-L334 HydrophobicContact CD2-CD2 3.81Å; L305-L334 HydrophobicContact CD2-CG 3.73Å; L334-G365 CarbonylContact O-C 3.51Å; L334-G365 VanDerWaalsContact O-CA 3.3Å; L334-G365 WeakPolarHBondContact O-CA 3.02Å; L334-I366 HydrophobicContact CB-CD1 4.1Å; L334-I366 HydrophobicContact CB-CG1 3.9Å; L334-I366 PolarHBondContact N-O 3.02Å; L334-I366 WeakPolarHBondContact O-CG1 3.39Å; L334-I366 PolarHBondContact O-N 2.68Å; L334-E388 VanDerWaalsContact CA-OE2 3.25Å; L334-E388 WeakPolarHBondContact CA-OE2 3.32Å; L334-E388 PolarHBondContact N-OE2 3.08Å
335	A	95.4	Very high	85.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.9	-177.9	0	0	0	0	0	113	M186 E388 H391 N392	M186-A335 VanDerWaalsContact CE-O 3.31Å; M186-A335 WeakPolarHBondContact CE-O 3.32Å; A335-E388 HydrophobicContact CB-CB 4.01Å; A335-E388 WeakPolarHBondContact CB-O 3.43Å; A335-E388 VanDerWaalsContact CB-OE2 3.25Å; A335-E388 WeakPolarHBondContact CB-OE2 3.19Å; A335-E388 PolarHBondContact N-OE2 3.25Å; A335-H391 HydrophobicContact CB-CB 3.88Å; A335-N392 WeakPolarHBondContact CB-ND2 3.43Å
336	W	95.8	Very high	85.4	Confident	16 Å²	16	31.2 Å²	31.2	6%	0.061	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-78.9	126.8	168.3	-63.4	99.3	0	0	0	110.8	M186 Y189 Q190 S309 G338 L362 T364	M186-W336 HydrophobicContact CB-CE3 4.09Å; M186-W336 HydrophobicContact CB-CH2 4.42Å; M186-W336 HydrophobicContact CB-CZ3 3.64Å; M186-W336 HydrophobicContact CE-CD2 3.68Å; M186-W336 HydrophobicContact CE-CE3 3.56Å; M186-W336 HydrophobicContact CE-CG 4.23Å; M186-W336 HydrophobicContact CE-CH2 4.35Å; M186-W336 HydrophobicContact CE-CZ2 4.42Å; M186-W336 HydrophobicContact CE-CZ3 3.93Å; M186-W336 HydrophobicContact CG-CE3 4.33Å; M186-W336 HydrophobicContact CG-CH2 4.11Å; M186-W336 HydrophobicContact CG-CZ3 3.79Å; Y189-W336 AromaticContact CD1-CH2 3.63Å; Y189-W336 HydrophobicContact CD1-CH2 3.63Å; Y189-W336 AromaticContact CD1-CZ3 3.89Å; Y189-W336 HydrophobicContact CD1-CZ3 3.89Å; Y189-W336 HydrophobicContact CE1-CH2 4.11Å; Y189-W336 HydrophobicContact CG-CH2 4.26Å; Q190-W336 HydrophobicContact CG-CE3 3.46Å; Q190-W336 VanDerWaalsContact CG-CE3 3.46Å; Q190-W336 HydrophobicContact CG-CZ3 3.75Å; S309-W336 PolarHBondContact OG-NE1 2.98Å; W336-G338 PolarHBondContact O-N 3.07Å; W336-L362 HydrophobicContact CB-CB 4.35Å; W336-L362 WeakPolarHBondContact CB-O 3.34Å; W336-L362 HydrophobicContact CD2-CB 4.34Å; W336-L362 HydrophobicContact CD2-CD1 4.24Å; W336-L362 HydrophobicContact CD2-CD2 4.19Å; W336-L362 HydrophobicContact CD2-CG 4.48Å; W336-L362 HydrophobicContact CE3-CD1 4.24Å; W336-L362 HydrophobicContact CG-CB 4.01Å; W336-L362 HydrophobicContact CZ2-CD2 3.93Å; W336-L362 HydrophobicContact CZ3-CD1 4.46Å; W336-T364 PolarHBondContact N-O 3.49Å; W336-T364 PolarHBondContact NE1-OG1 3.37Å
337	V	94.9	Very high	86.2	Confident	35 Å²	35	28 Å²	28	21%	0.212	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-77.5	125.7	-175.1	-173.5	0	0	0	0	110.5	Q190 H391	Q190-V337 PolarHBondContact NE2-O 3.45Å; V337-H391 CarbonylContact C-O 3.28Å; V337-H391 WeakPolarHBondContact CA-O 3.18Å; V337-H391 HydrophobicContact CG2-CB 4.25Å
338	G	94.1	Very high	86.9	Confident	8 Å²	8	28.2 Å²	28.2	8%	0.082	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-67.6	154.3	176.8	0	0	0	0	0	113.4	W336 H391 G394	W336-G338 PolarHBondContact O-N 3.07Å; G338-H391 PolarHBondContact N-O 3.13Å; G338-G394 WeakPolarHBondContact O-CA 3.25Å
339	A	92.8	Very high	88	Confident	18 Å²	18	22.9 Å²	22.9	15%	0.149	16%	0.156	C	C	.	.			trans	-140.8	149.5	173.3	0	0	0	0	0	110.5	S341 K451	A339-S341 VanDerWaalsContact C-N 3.31Å; A339-K451 VanDerWaalsContact O-CE 3.3Å; A339-K451 WeakPolarHBondContact O-CE 3.33Å
340	P	89.9	Confident	89.4	Confident	52 Å²	52	22.4 Å²	22.4	34%	0.338	15%	0.148	S	C	.	.	S	Bend	trans	-71.7	-27.6	178.7	28.7	-34	0	0	0	112.3	Q446 V447 K450	P340-Q446 HydrophobicContact CB-CB 4.41Å; P340-V447 HydrophobicContact CB-CG2 4.48Å; P340-K450 HydrophobicContact CB-CB 4.38Å; P340-K450 HydrophobicContact CB-CG 3.94Å
341	S	87.9	Confident	90.8	Very high	97 Å²	97	22.8 Å²	22.8	68%	0.678	15%	0.15	S	C	*	.	S	Bend	trans	-163.8	172.6	172.7	61	0	0	0	0	110	A339 S343	A339-S341 VanDerWaalsContact C-N 3.31Å; S341-S343 PolarHBondContact O-N 3.47Å; S341-S343 VanDerWaalsContact O-N 3.11Å
342	G	81.1	Confident	91.8	Very high	60 Å²	60	25 Å²	25	62%	0.619	16%	0.16	S	C	*	.	S	Bend	trans	72.9	-0.4	170.2	0	0	0	0	0	116.9
343	S	88.5	Confident	92.3	Very high	24 Å²	24	29.5 Å²	29.5	17%	0.168	18%	0.183	C	C	.	.	S	Bend	trans	-151	141.4	173.6	-147.1	0	0	0	0	110.6	Q190 S341	Q190-S343 WeakPolarHBondContact CB-OG 3.12Å; S341-S343 PolarHBondContact O-N 3.47Å; S341-S343 VanDerWaalsContact O-N 3.11Å
344	S	90.1	Very high	92.4	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	18%	0.183	C	C	.	.			trans	-89.4	138.1	178.2	-62.8	0	0	0	0	111.5	Q190 A193 E349 Y354	Q190-S344 VanDerWaalsContact CB-O 3.28Å; Q190-S344 WeakPolarHBondContact CB-O 3.04Å; Q190-S344 VanDerWaalsContact CG-O 3.22Å; Q190-S344 WeakPolarHBondContact CG-O 3.21Å; Q190-S344 PolarHBondContact NE2-O 3.32Å; Q190-S344 PolarHBondContact O-N 3.13Å; A193-S344 PolarHBondContact O-OG 2.86Å; S344-E349 WeakPolarHBondContact CA-OE2 3.44Å; S344-Y354 WeakPolarHBondContact CB-OH 3.07Å
345	G	91.9	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.			trans	131.5	172.7	177.4	0	0	0	0	0	114.4	E349 L362 K451	G345-E349 PolarHBondContact N-OE2 3.13Å; G345-L362 WeakPolarHBondContact CA-O 3.24Å; G345-K451 PolarHBondContact O-NZ 3Å
346	G	96.2	Very high	91.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	73.7	-160.8	-172.8	0	0	0	0	0	113.2	E349 L362 N363 N392	G346-E349 PolarHBondContact O-N 2.83Å; G346-L362 PolarHBondContact N-O 3.25Å; G346-N363 VanDerWaalsContact O-CA 3.28Å; G346-N363 WeakPolarHBondContact O-CA 3.18Å; G346-N363 VanDerWaalsContact O-CB 3.28Å; G346-N363 WeakPolarHBondContact O-CB 2.98Å; G346-N392 CarbonylContact C-O 3.57Å; G346-N392 WeakPolarHBondContact CA-O 3.49Å
347	I	98	Very high	91.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	140.8	-174.9	56.3	169.6	0	0	0	113.4	L318 E349 N392 F393 V447 L448 K451 F456	L318-I347 HydrophobicContact CD1-CG2 3.99Å; L318-I347 HydrophobicContact CD2-CG2 3.93Å; L318-I347 HydrophobicContact CG-CG2 3.97Å; I347-E349 PolarHBondContact O-N 2.69Å; I347-N392 PolarHBondContact N-O 3.39Å; I347-F393 HydrophobicContact CG2-CD2 3.44Å; I347-F393 VanDerWaalsContact CG2-CD2 3.44Å; I347-F393 HydrophobicContact CG2-CE2 3.43Å; I347-F393 VanDerWaalsContact CG2-CE2 3.43Å; I347-F393 HydrophobicContact CG2-CG 4.1Å; I347-F393 HydrophobicContact CG2-CZ 4.07Å; I347-V447 HydrophobicContact CD1-CG1 4.07Å; I347-V447 HydrophobicContact CG1-CG1 3.96Å; I347-L448 HydrophobicContact CD1-CD2 4.1Å; I347-K451 HydrophobicContact CD1-CB 4.27Å; I347-K451 HydrophobicContact CG1-CB 4.13Å; I347-K451 WeakPolarHBondContact O-CD 3.44Å; I347-F456 HydrophobicContact CB-CE2 4.43Å; I347-F456 HydrophobicContact CD1-CE2 3.96Å; I347-F456 HydrophobicContact CD1-CZ 4.24Å
348	C	96.3	Very high	91.3	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.095	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	17	176.4	-50.6	0	0	0	0	116.7	C317 K451 N454 C455	C317-C348 PolarHBondContact O-N 3.03Å; C317-C348 VanDerWaalsContact O-N 3.15Å; C348-K451 PolarHBondContact SG-O 3.06Å; C348-N454 HydrophobicContact CB-CB 4.03Å; C348-C455 WeakPolarHBondContact CA-SG 3.38Å; C348-C455 HydrophobicContact CB-CB 3.63Å; C348-C455 WeakPolarHBondContact CB-SG 2.97Å; C348-C455 WeakPolarHBondContact SG-CB 3.45Å; C348-C455 PolarHBondContact SG-N 3.1Å; C348-C455 CovalentContact SG-SG 2.02Å; C348-C455 PolarHBondContact SG-SG 3.41Å
349	E	95.6	Very high	91.2	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.07	28%	0.284	C	S	.	.			trans	-73.4	140.9	175.7	-163	63.3	-119.7	0	0	112.6	S344 G345 G346 I347 K352 L362 N363 K451	S344-E349 WeakPolarHBondContact CA-OE2 3.44Å; G345-E349 PolarHBondContact N-OE2 3.13Å; G346-E349 PolarHBondContact O-N 2.83Å; I347-E349 PolarHBondContact O-N 2.69Å; E349-K352 IonicContact OE1-NZ 2.71Å; E349-K352 PolarHBondContact OE1-NZ 3.31Å; E349-L362 HydrophobicContact CG-CB 4.46Å; E349-N363 HydrophobicContact CB-CB 4.16Å; E349-K451 IonicContact OE2-NZ 3.08Å; E349-K451 PolarHBondContact OE2-NZ 3.22Å
350	K	92.1	Very high	91.3	Very high	103 Å²	103	47.2 Å²	47.2	45%	0.448	28%	0.277	S	S	.	.			trans	-98.7	158.9	-178	-69.9	-69.5	-172.5	178.4	0	113.1	D314 K352	D314-K350 HydrophobicContact CB-CD 3.85Å; D314-K350 PolarHBondContact O-NZ 3.21Å; D314-K350 VanDerWaalsContact OD1-CA 3.24Å; D314-K350 WeakPolarHBondContact OD1-CA 3.49Å; D314-K350 WeakPolarHBondContact OD1-CD 2.94Å; K350-K352 PolarHBondContact O-N 3.32Å; K350-K352 VanDerWaalsContact O-N 3.14Å
351	S	93.4	Very high	91.6	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.084	26%	0.261	C	S	.	.			trans	-66.3	104.2	178.8	-169.8	0	0	0	0	111.8	N312 D314 R359 K360 S361	N312-S351 VanDerWaalsContact ND2-CB 3.31Å; N312-S351 WeakPolarHBondContact ND2-CB 3.38Å; D314-S351 PolarHBondContact OD1-N 2.85Å; S351-R359 PolarHBondContact O-NH2 3.03Å; S351-K360 WeakPolarHBondContact CA-O 3.41Å; S351-S361 WeakPolarHBondContact CA-OG 3.42Å; S351-S361 WeakPolarHBondContact CB-OG 3.31Å
352	K	93.3	Very high	92	Very high	50 Å²	50	40.1 Å²	40.1	22%	0.217	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	161.7	-174.5	-72.7	167.6	175.3	172.9	0	111.3	E195 E349 K350 Y354 R359 K360	E195-K352 IonicContact OE1-NZ 2.61Å; E195-K352 PolarHBondContact OE1-NZ 3.16Å; E349-K352 IonicContact OE1-NZ 2.71Å; E349-K352 PolarHBondContact OE1-NZ 3.31Å; K350-K352 PolarHBondContact O-N 3.32Å; K350-K352 VanDerWaalsContact O-N 3.14Å; K352-Y354 HydrophobicContact CB-CE2 3.81Å; K352-Y354 VanDerWaalsContact O-CD2 3.26Å; K352-Y354 WeakPolarHBondContact O-CD2 3.31Å; K352-Y354 WeakPolarHBondContact O-CE2 3.45Å; K352-R359 CarbonylContact O-C 3.27Å; K352-R359 VanDerWaalsContact O-CA 3.24Å; K352-R359 WeakPolarHBondContact O-CA 3.4Å; K352-K360 PolarHBondContact N-O 3.4Å; K352-K360 PolarHBondContact O-N 3.47Å
353	L	91.3	Very high	92.8	Very high	107 Å²	107	37.3 Å²	37.3	56%	0.56	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	135	171.4	-172.8	65.2	0	0	0	109.3	A193 G357 R359	A193-L353 WeakPolarHBondContact CB-O 3.43Å; L353-G357 VanDerWaalsContact CD1-C 3.5Å; L353-G357 WeakPolarHBondContact CD1-O 3.44Å; L353-R359 HydrophobicContact CD1-CG 4.23Å
354	Y	91.3	Very high	93.3	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.039	19%	0.192	C	C	.	.			trans	-118	176.4	-179.3	-71.3	-94	0	0	0	112.2	Y189 A193 S344 K352 D356 G357 K358 K360 L362	Y189-Y354 HydrophobicContact CD1-CD1 4.03Å; Y189-Y354 AromaticContact CE1-CD1 3.54Å; Y189-Y354 HydrophobicContact CE1-CD1 3.54Å; Y189-Y354 HydrophobicContact CE1-CD2 4.32Å; Y189-Y354 HydrophobicContact CE1-CE1 4.22Å; Y189-Y354 AromaticContact CE1-CG 3.63Å; Y189-Y354 HydrophobicContact CE1-CG 3.63Å; Y189-Y354 VanDerWaalsContact CZ-CB 3.43Å; Y189-Y354 AromaticContact CZ-CG 3.75Å; Y189-Y354 WeakPolarHBondContact OH-CB 3.46Å; A193-Y354 HydrophobicContact CB-CD1 3.51Å; A193-Y354 HydrophobicContact CB-CE1 3.59Å; A193-Y354 HydrophobicContact CB-CG 4.07Å; S344-Y354 WeakPolarHBondContact CB-OH 3.07Å; K352-Y354 HydrophobicContact CB-CE2 3.81Å; K352-Y354 VanDerWaalsContact O-CD2 3.26Å; K352-Y354 WeakPolarHBondContact O-CD2 3.31Å; K352-Y354 WeakPolarHBondContact O-CE2 3.45Å; Y354-D356 PolarHBondContact O-N 2.81Å; Y354-D356 VanDerWaalsContact O-N 3.07Å; Y354-G357 PolarHBondContact O-N 3.42Å; Y354-K358 PolarHBondContact N-O 3.01Å; Y354-K358 VanDerWaalsContact N-O 3.1Å; Y354-K360 HydrophobicContact CD2-CB 4.08Å; Y354-K360 HydrophobicContact CE2-CB 4.19Å; Y354-K360 WeakPolarHBondContact CE2-O 3.39Å; Y354-L362 HydrophobicContact CD1-CD1 4.28Å; Y354-L362 HydrophobicContact CE1-CD1 3.46Å; Y354-L362 VanDerWaalsContact CE1-CD1 3.46Å; Y354-L362 HydrophobicContact CE1-CG 4.2Å; Y354-L362 HydrophobicContact CE2-CD1 4.21Å; Y354-L362 HydrophobicContact CE2-CG 4.06Å; Y354-L362 VanDerWaalsContact CZ-CD1 3.44Å; Y354-L362 WeakPolarHBondContact OH-CD1 3.26Å; Y354-L362 WeakPolarHBondContact OH-CG 3.07Å
355	S	88.3	Confident	93.7	Very high	87 Å²	87	36 Å²	36	61%	0.608	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.6	-176.7	46.2	0	0	0	0	116.1	S192 G357	S192-S355 WeakPolarHBondContact CB-OG 3.35Å; S192-S355 WeakPolarHBondContact OG-CB 3.22Å; S192-S355 PolarHBondContact OG-OG 3.24Å; S355-G357 VanDerWaalsContact C-N 3.31Å
356	D	87.1	Confident	93.9	Very high	62 Å²	62	36 Å²	36	33%	0.332	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.4	174.1	71	-16.6	0	0	0	113.7	Y189 Y354 K358 K360	Y189-D356 HydrophobicContact CE2-CB 4.2Å; Y189-D356 PolarHBondContact OH-OD1 3.04Å; Y189-D356 PolarHBondContact OH-OD2 3.48Å; Y354-D356 PolarHBondContact O-N 2.81Å; Y354-D356 VanDerWaalsContact O-N 3.07Å; D356-K358 VanDerWaalsContact C-N 3.27Å; D356-K358 PolarHBondContact O-N 2.95Å; D356-K358 WeakPolarHBondContact OD1-CB 2.96Å; D356-K358 PolarHBondContact OD1-N 3.38Å; D356-K358 VanDerWaalsContact OD2-CD 3.26Å; D356-K358 WeakPolarHBondContact OD2-CD 3.35Å; D356-K358 WeakPolarHBondContact OD2-CG 3.29Å; D356-K360 IonicContact OD2-NZ 3.3Å; D356-K360 PolarHBondContact OD2-NZ 3.47Å
357	G	87.9	Confident	93.9	Very high	59 Å²	59	36 Å²	36	61%	0.608	19%	0.19	S	C	*	.	S	Bend	trans	76.4	6.1	-176.9	0	0	0	0	0	114.6	L353 Y354 S355	L353-G357 VanDerWaalsContact CD1-C 3.5Å; L353-G357 WeakPolarHBondContact CD1-O 3.44Å; Y354-G357 PolarHBondContact O-N 3.42Å; S355-G357 VanDerWaalsContact C-N 3.31Å
358	K	89.9	Confident	93.5	Very high	71 Å²	71	36 Å²	36	31%	0.309	19%	0.19	S	C	.	.			trans	-96	146.6	177.1	-57.6	-176.3	-165.5	169.9	0	111.3	E306 E310 Y354 D356 K360	E306-K358 VanDerWaalsContact CD-NZ 3.32Å; E306-K358 IonicContact OE1-NZ 2.68Å; E306-K358 PolarHBondContact OE1-NZ 3.43Å; E306-K358 IonicContact OE2-NZ 3.76Å; E306-K358 PolarHBondContact OE2-NZ 3.49Å; E310-K358 HydrophobicContact CG-CD 4.28Å; E310-K358 WeakPolarHBondContact OE1-CD 3.38Å; E310-K358 WeakPolarHBondContact OE1-CE 3.42Å; E310-K358 IonicContact OE1-NZ 2.63Å; E310-K358 PolarHBondContact OE1-NZ 2.61Å; Y354-K358 PolarHBondContact N-O 3.01Å; Y354-K358 VanDerWaalsContact N-O 3.1Å; D356-K358 VanDerWaalsContact C-N 3.27Å; D356-K358 PolarHBondContact O-N 2.95Å; D356-K358 WeakPolarHBondContact OD1-CB 2.96Å; D356-K358 PolarHBondContact OD1-N 3.38Å; D356-K358 VanDerWaalsContact OD2-CD 3.26Å; D356-K358 WeakPolarHBondContact OD2-CD 3.35Å; D356-K358 WeakPolarHBondContact OD2-CG 3.29Å; K358-K360 HydrophobicContact CB-CG 4.28Å
359	R	92.8	Very high	93	Very high	161 Å²	161	35.4 Å²	35.4	61%	0.608	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	130	162	-68.3	-166.1	72.2	136.6	2.2	109.1	S351 K352 L353	S351-R359 PolarHBondContact O-NH2 3.03Å; K352-R359 CarbonylContact O-C 3.27Å; K352-R359 VanDerWaalsContact O-CA 3.24Å; K352-R359 WeakPolarHBondContact O-CA 3.4Å; L353-R359 HydrophobicContact CD1-CG 4.23Å
360	K	94.4	Very high	92.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.9	177.6	-64.7	-166.2	-174.1	138	0	112.3	Y189 E306 S309 E310 S351 K352 Y354 D356 K358 L362	Y189-K360 WeakPolarHBondContact OH-CD 3.3Å; Y189-K360 PolarHBondContact OH-NZ 3.22Å; E306-K360 HydrophobicContact CG-CD 4.34Å; E306-K360 WeakPolarHBondContact OE1-CE 3.32Å; E306-K360 IonicContact OE1-NZ 2.73Å; E306-K360 PolarHBondContact OE1-NZ 3.24Å; S309-K360 CarbonylContact O-C 3.55Å; S309-K360 WeakPolarHBondContact O-CA 3.15Å; S309-K360 WeakPolarHBondContact O-CB 3.14Å; E310-K360 HydrophobicContact CG-CD 4.36Å; E310-K360 HydrophobicContact CG-CG 4.33Å; S351-K360 WeakPolarHBondContact CA-O 3.41Å; K352-K360 PolarHBondContact N-O 3.4Å; K352-K360 PolarHBondContact O-N 3.47Å; Y354-K360 HydrophobicContact CD2-CB 4.08Å; Y354-K360 HydrophobicContact CE2-CB 4.19Å; Y354-K360 WeakPolarHBondContact CE2-O 3.39Å; D356-K360 IonicContact OD2-NZ 3.3Å; D356-K360 PolarHBondContact OD2-NZ 3.47Å; K358-K360 HydrophobicContact CB-CG 4.28Å; K360-L362 HydrophobicContact CB-CD2 3.9Å; K360-L362 HydrophobicContact CD-CD2 4.49Å
361	S	95.8	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.			trans	-101.1	120.9	165.5	-78.5	0	0	0	0	108.6	S309 Q311 H313 S351 N363 T364	S309-S361 WeakPolarHBondContact CA-O 3.35Å; S309-S361 PolarHBondContact O-N 3.45Å; Q311-S361 WeakPolarHBondContact O-CB 3.46Å; H313-S361 PolarHBondContact N-OG 3.25Å; S351-S361 WeakPolarHBondContact CA-OG 3.42Å; S351-S361 WeakPolarHBondContact CB-OG 3.31Å; S361-N363 WeakPolarHBondContact CB-OD1 3.38Å; S361-T364 WeakPolarHBondContact O-CG2 3.38Å; S361-T364 PolarHBondContact O-OG1 2.91Å
362	L	97.3	Very high	89.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.			trans	-103.6	21.2	-177.1	-52.6	-167.9	0	0	0	113.1	Y189 Q190 W336 G345 G346 E349 Y354 K360 T364	Y189-L362 HydrophobicContact CD1-CD1 4.24Å; Y189-L362 HydrophobicContact CE1-CD1 4.12Å; Y189-L362 HydrophobicContact CE1-CD2 4.34Å; Q190-L362 HydrophobicContact CG-CD1 4.27Å; W336-L362 HydrophobicContact CB-CB 4.35Å; W336-L362 WeakPolarHBondContact CB-O 3.34Å; W336-L362 HydrophobicContact CD2-CB 4.34Å; W336-L362 HydrophobicContact CD2-CD1 4.24Å; W336-L362 HydrophobicContact CD2-CD2 4.19Å; W336-L362 HydrophobicContact CD2-CG 4.48Å; W336-L362 HydrophobicContact CE3-CD1 4.24Å; W336-L362 HydrophobicContact CG-CB 4.01Å; W336-L362 HydrophobicContact CZ2-CD2 3.93Å; W336-L362 HydrophobicContact CZ3-CD1 4.46Å; G345-L362 WeakPolarHBondContact CA-O 3.24Å; G346-L362 PolarHBondContact N-O 3.25Å; E349-L362 HydrophobicContact CG-CB 4.46Å; Y354-L362 HydrophobicContact CD1-CD1 4.28Å; Y354-L362 HydrophobicContact CE1-CD1 3.46Å; Y354-L362 VanDerWaalsContact CE1-CD1 3.46Å; Y354-L362 HydrophobicContact CE1-CG 4.2Å; Y354-L362 HydrophobicContact CE2-CD1 4.21Å; Y354-L362 HydrophobicContact CE2-CG 4.06Å; Y354-L362 VanDerWaalsContact CZ-CD1 3.44Å; Y354-L362 WeakPolarHBondContact OH-CD1 3.26Å; Y354-L362 WeakPolarHBondContact OH-CG 3.07Å; K360-L362 HydrophobicContact CB-CD2 3.9Å; K360-L362 HydrophobicContact CD-CD2 4.49Å; L362-T364 PolarHBondContact O-N 3.48Å
363	N	97.9	Very high	88.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.207	C	C	.	.	S	Bend	trans	-87.2	43.8	167	62.1	-27.6	0	0	0	110.4	H313 Y316 L318 A319 G346 E349 S361	H313-N363 WeakPolarHBondContact CB-OD1 3.35Å; H313-N363 PolarHBondContact O-ND2 3.07Å; H313-N363 VanDerWaalsContact O-ND2 3.1Å; Y316-N363 PolarHBondContact O-ND2 2.91Å; L318-N363 CarbonylContact C-O 3.56Å; L318-N363 VanDerWaalsContact CA-O 3.29Å; L318-N363 WeakPolarHBondContact CA-O 3.44Å; L318-N363 HydrophobicContact CD2-CB 4.16Å; A319-N363 PolarHBondContact N-O 3.49Å; G346-N363 VanDerWaalsContact O-CA 3.28Å; G346-N363 WeakPolarHBondContact O-CA 3.18Å; G346-N363 VanDerWaalsContact O-CB 3.28Å; G346-N363 WeakPolarHBondContact O-CB 2.98Å; E349-N363 HydrophobicContact CB-CB 4.16Å; S361-N363 WeakPolarHBondContact CB-OD1 3.38Å
364	T	98.3	Very high	86.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.5	-163	43.3	0	0	0	0	113.2	S309 H313 A319 W336 S361 L362	S309-T364 PolarHBondContact OG-OG1 2.83Å; H313-T364 WeakPolarHBondContact CD2-CG2 3.41Å; A319-T364 HydrophobicContact CB-CG2 4.23Å; A319-T364 VanDerWaalsContact O-CA 3.3Å; A319-T364 WeakPolarHBondContact O-CA 3.44Å; W336-T364 PolarHBondContact N-O 3.49Å; W336-T364 PolarHBondContact NE1-OG1 3.37Å; S361-T364 WeakPolarHBondContact O-CG2 3.38Å; S361-T364 PolarHBondContact O-OG1 2.91Å; L362-T364 PolarHBondContact O-N 3.48Å
365	G	97.9	Very high	86.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.4	169.8	0	0	0	0	0	111.8	N308 A319 Y320 V321 L334	N308-G365 PolarHBondContact ND2-O 3.27Å; A319-G365 PolarHBondContact O-N 3.18Å; Y320-G365 WeakPolarHBondContact CA-O 3.13Å; V321-G365 PolarHBondContact N-O 3.5Å; L334-G365 CarbonylContact O-C 3.51Å; L334-G365 VanDerWaalsContact O-CA 3.3Å; L334-G365 WeakPolarHBondContact O-CA 3.02Å
366	I	97.4	Very high	85.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.7	173.7	59	168.9	0	0	0	109.3	V301 F304 L305 N308 V321 F327 G333 L334	V301-I366 HydrophobicContact CG2-CD1 3.69Å; V301-I366 WeakPolarHBondContact O-CD1 3.3Å; F304-I366 HydrophobicContact CB-CD1 4.03Å; F304-I366 HydrophobicContact CD1-CB 3.99Å; F304-I366 HydrophobicContact CD1-CD1 3.72Å; F304-I366 HydrophobicContact CD1-CG1 4.45Å; F304-I366 HydrophobicContact CD1-CG2 3.73Å; F304-I366 HydrophobicContact CE1-CB 4.33Å; F304-I366 HydrophobicContact CE1-CG2 4.1Å; F304-I366 HydrophobicContact CG-CD1 4.37Å; L305-I366 HydrophobicContact CB-CD1 3.97Å; L305-I366 HydrophobicContact CB-CG1 4.21Å; L305-I366 HydrophobicContact CB-CG2 4.32Å; L305-I366 HydrophobicContact CD1-CG2 4.12Å; N308-I366 HydrophobicContact CB-CG2 4.45Å; V321-I366 HydrophobicContact CB-CG2 4.14Å; V321-I366 WeakPolarHBondContact O-CA 3.35Å; F327-I366 HydrophobicContact CE2-CD1 4.35Å; F327-I366 HydrophobicContact CZ-CD1 4.24Å; G333-I366 VanDerWaalsContact CA-O 3.23Å; G333-I366 WeakPolarHBondContact CA-O 3.44Å; L334-I366 HydrophobicContact CB-CD1 4.1Å; L334-I366 HydrophobicContact CB-CG1 3.9Å; L334-I366 PolarHBondContact N-O 3.02Å; L334-I366 WeakPolarHBondContact O-CG1 3.39Å; L334-I366 PolarHBondContact O-N 2.68Å
367	I	95.4	Very high	84.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.4	168.3	67.9	174.4	0	0	0	110.1	Y320 V321 F322 T323 T384 F385 E388	Y320-I367 HydrophobicContact CD1-CG2 4.43Å; Y320-I367 HydrophobicContact CE1-CG2 4.23Å; V321-I367 PolarHBondContact O-N 2.92Å; V321-I367 VanDerWaalsContact O-N 3.11Å; F322-I367 HydrophobicContact CD1-CD1 4.08Å; F322-I367 HydrophobicContact CD1-CG1 3.87Å; F322-I367 HydrophobicContact CD2-CD1 3.88Å; F322-I367 HydrophobicContact CD2-CG1 4.18Å; F322-I367 HydrophobicContact CE1-CD1 3.84Å; F322-I367 HydrophobicContact CE1-CG1 4.08Å; F322-I367 HydrophobicContact CE2-CD1 3.66Å; F322-I367 HydrophobicContact CE2-CG1 4.4Å; F322-I367 HydrophobicContact CG-CD1 4.09Å; F322-I367 HydrophobicContact CG-CG1 3.91Å; F322-I367 HydrophobicContact CZ-CD1 3.63Å; F322-I367 HydrophobicContact CZ-CG1 4.34Å; T323-I367 PolarHBondContact N-O 3.33Å; I367-T384 HydrophobicContact CB-CG2 4.31Å; I367-T384 HydrophobicContact CG2-CG2 4.04Å; I367-F385 HydrophobicContact CD1-CB 3.94Å; I367-F385 HydrophobicContact CD1-CD2 4.17Å; I367-F385 HydrophobicContact CD1-CG 4.12Å; I367-F385 HydrophobicContact CG2-CB 4.49Å; I367-F385 HydrophobicContact CG2-CD2 4.22Å; I367-E388 HydrophobicContact CG2-CB 4.42Å; I367-E388 HydrophobicContact CG2-CG 3.94Å
368	T	90.5	Very high	84.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	169.1	-173.5	0	0	0	0	111.9	T323 R325 F327 L332 Q370	T323-T368 VanDerWaalsContact O-CA 3.26Å; T323-T368 WeakPolarHBondContact O-CA 3.26Å; T323-T368 PolarHBondContact O-OG1 2.78Å; R325-T368 PolarHBondContact N-OG1 2.88Å; R325-T368 VanDerWaalsContact N-OG1 3.08Å; R325-T368 WeakPolarHBondContact O-CB 3.31Å; R325-T368 WeakPolarHBondContact O-CG2 3.37Å; R325-T368 PolarHBondContact O-OG1 3Å; F327-T368 HydrophobicContact CD2-CG2 3.69Å; F327-T368 HydrophobicContact CE2-CG2 4.01Å; L332-T368 HydrophobicContact CD2-CG2 4.47Å; L332-T368 PolarHBondContact O-N 2.81Å; T368-Q370 WeakPolarHBondContact CG2-O 3.39Å; T368-Q370 PolarHBondContact OG1-N 2.91Å
369	V	85.9	Confident	84.4	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.012	11%	0.107	C	C	.	.	S	Bend	trans	-95.5	11.8	172.5	-61.5	0	0	0	0	112.9	F236 T323 D324 H375 V376	F236-V369 HydrophobicContact CD2-CG2 4.06Å; F236-V369 HydrophobicContact CE2-CG1 3.85Å; F236-V369 HydrophobicContact CE2-CG2 4.08Å; T323-V369 PolarHBondContact O-N 3.5Å; D324-V369 HydrophobicContact CB-CG2 4.09Å; V369-H375 VanDerWaalsContact CG2-CE1 3.48Å; V369-H375 WeakPolarHBondContact CG2-CE1 3.28Å; V369-H375 CarbonylContact O-C 3.5Å; V369-H375 VanDerWaalsContact O-CA 3.28Å; V369-H375 WeakPolarHBondContact O-CA 3.4Å; V369-H375 PolarHBondContact O-ND1 3.21Å; V369-V376 PolarHBondContact O-N 2.82Å
370	Q	79.3	Confident	83.7	Confident	46 Å²	46	13.9 Å²	13.9	22%	0.215	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-125	141	179.5	-170.9	171.6	64	0	0	112.4	D326 T368 S374	D326-Q370 HydrophobicContact CB-CG 4.18Å; T368-Q370 WeakPolarHBondContact CG2-O 3.39Å; T368-Q370 PolarHBondContact OG1-N 2.91Å; Q370-S374 WeakPolarHBondContact CA-O 3.39Å
371	N	66.1	Low	83.3	Confident	5 Å²	5	13.8 Å²	13.8	3%	0.027	8%	0.079	C	C	.	.	S	Bend	trans	-153.6	129	173.7	-163.1	-30.5	0	0	0	112.6	K31 Y32 Y167 D326 G330 L332 S374 V376	K31-N371 PolarHBondContact NZ-O 2.83Å; Y32-N371 PolarHBondContact OH-O 3.24Å; Y167-N371 WeakPolarHBondContact OH-CB 3.2Å; Y167-N371 PolarHBondContact OH-ND2 2.84Å; D326-N371 WeakPolarHBondContact OD1-CA 3.34Å; G330-N371 PolarHBondContact O-ND2 3.44Å; L332-N371 HydrophobicContact CD2-CB 3.72Å; L332-N371 VanDerWaalsContact CD2-ND2 3.29Å; L332-N371 WeakPolarHBondContact CD2-ND2 3.27Å; N371-S374 PolarHBondContact N-O 2.99Å; N371-S374 PolarHBondContact O-N 2.87Å; N371-V376 HydrophobicContact CB-CG1 3.76Å
372	Y	63.6	Low	83	Confident	97 Å²	97	14.2 Å²	14.2	38%	0.38	8%	0.081	S	C	.	.	S	Bend	trans	44.6	62.1	-169.8	-57	-63.6	0	0	0	111.5	K31 H169 D326 S374	K31-Y372 PolarHBondContact NZ-O 3Å; H169-Y372 AromaticContact CE1-CD2 3.24Å; H169-Y372 WeakPolarHBondContact CE1-CD2 2.98Å; H169-Y372 AromaticContact CE1-CE2 4Å; H169-Y372 AromaticContact CE1-CG 3.84Å; H169-Y372 AromaticContact ND1-CD2 3.63Å; H169-Y372 AromaticContact ND1-CE2 3.91Å; H169-Y372 AromaticContact NE2-CD2 3.75Å; D326-Y372 WeakPolarHBondContact OD1-CA 3.48Å; D326-Y372 PolarHBondContact OD1-N 3.4Å; D326-Y372 WeakPolarHBondContact OD2-CA 3.47Å; Y372-S374 VanDerWaalsContact C-N 3.29Å; Y372-S374 PolarHBondContact O-N 3.03Å; Y372-S374 PolarHBondContact O-OG 3.47Å
373	A	64.7	Low	82.5	Confident	75 Å²	75	14.6 Å²	14.6	62%	0.62	8%	0.082	S	C	*	.	S	Bend	trans	51.6	35.7	-179.3	0	0	0	0	0	115.1	D326	D326-A373 PolarHBondContact OD2-N 2.85Å
374	S	63	Low	81.9	Confident	32 Å²	32	15.2 Å²	15.2	22%	0.224	9%	0.086	C	C	.	.	S	Bend	trans	-150	148.2	174.9	-46.7	0	0	0	0	113.2	K31 Q370 N371 Y372	K31-S374 VanDerWaalsContact CD-OG 3.31Å; K31-S374 WeakPolarHBondContact CD-OG 3.33Å; K31-S374 VanDerWaalsContact CE-OG 3.31Å; K31-S374 WeakPolarHBondContact CE-OG 3.33Å; K31-S374 PolarHBondContact NZ-OG 3.2Å; Q370-S374 WeakPolarHBondContact CA-O 3.39Å; N371-S374 PolarHBondContact N-O 2.99Å; N371-S374 PolarHBondContact O-N 2.87Å; Y372-S374 VanDerWaalsContact C-N 3.29Å; Y372-S374 PolarHBondContact O-N 3.03Å; Y372-S374 PolarHBondContact O-OG 3.47Å
375	H	74	Confident	81.8	Confident	15 Å²	15	15.2 Å²	15.2	7%	0.069	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-71.4	124.7	-179.4	-170.4	76.9	0	0	0	111.9	Y32 Y239 Y240 D324 V369	Y32-H375 VanDerWaalsContact CD2-O 3.22Å; Y32-H375 WeakPolarHBondContact CD2-O 3.26Å; Y32-H375 WeakPolarHBondContact CE2-O 3.27Å; Y239-H375 AromaticContact CD1-CE1 3.69Å; Y239-H375 AromaticContact CD1-ND1 3.89Å; Y239-H375 AromaticContact CE1-CD2 3.85Å; Y239-H375 AromaticContact CE1-CE1 3.27Å; Y239-H375 WeakPolarHBondContact CE1-CE1 3.23Å; Y239-H375 AromaticContact CE1-CG 3.82Å; Y239-H375 AromaticContact CE1-ND1 3.47Å; Y239-H375 WeakPolarHBondContact CE1-ND1 3.3Å; Y239-H375 AromaticContact CE1-NE2 3.5Å; Y239-H375 HydrophobicContact CE2-CB 3.92Å; Y239-H375 AromaticContact CE2-CG 3.85Å; Y239-H375 AromaticContact CE2-ND1 3.76Å; Y239-H375 AromaticContact CZ-CD2 3.66Å; Y239-H375 AromaticContact CZ-CE1 3.7Å; Y239-H375 AromaticContact CZ-CG 3.38Å; Y239-H375 AromaticContact CZ-ND1 3.42Å; Y239-H375 AromaticContact CZ-NE2 3.84Å; Y239-H375 PolarHBondContact OH-CD2 3.36Å; Y240-H375 AromaticContact CZ-CE1 3.76Å; Y240-H375 PolarHBondContact OH-CE1 3.4Å; Y240-H375 PolarHBondContact OH-NE2 2.63Å; D324-H375 IonicContact OD1-ND1 3.15Å; V369-H375 VanDerWaalsContact CG2-CE1 3.48Å; V369-H375 WeakPolarHBondContact CG2-CE1 3.28Å; V369-H375 CarbonylContact O-C 3.5Å; V369-H375 VanDerWaalsContact O-CA 3.28Å; V369-H375 WeakPolarHBondContact O-CA 3.4Å; V369-H375 PolarHBondContact O-ND1 3.21Å
376	V	73.3	Confident	81.7	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-78.2	144.5	-178.8	-52.9	0	0	0	0	110.9	Y32 Y167 L332 V369 N371	Y32-V376 HydrophobicContact CE2-CG1 4.4Å; Y167-V376 HydrophobicContact CE2-CG1 4.47Å; L332-V376 HydrophobicContact CD2-CG1 3.95Å; V369-V376 PolarHBondContact O-N 2.82Å; N371-V376 HydrophobicContact CB-CG1 3.76Å
377	P	77.3	Confident	81.5	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-63.5	148	-179.5	-23.5	35.8	0	0	0	112.3	Y32 I33 I165 K379 V380 S381	Y32-P377 HydrophobicContact CD2-CG 4.2Å; Y32-P377 HydrophobicContact CG-CG 4.03Å; I33-P377 HydrophobicContact CD1-CG 4.49Å; I33-P377 HydrophobicContact CG1-CG 4.27Å; I165-P377 HydrophobicContact CD1-CB 4.33Å; I165-P377 HydrophobicContact CG2-CB 3.96Å; I165-P377 HydrophobicContact CG2-CG 3.7Å; P377-K379 PolarHBondContact O-N 2.95Å; P377-V380 PolarHBondContact O-N 2.98Å; P377-S381 PolarHBondContact O-N 2.88Å; P377-S381 VanDerWaalsContact O-N 3.15Å
378	P	84.2	Confident	81.6	Confident	7 Å²	7	16.1 Å²	16.1	5%	0.045	9%	0.091	C	C	.	.	H	α-helix	trans	-50	-37.9	179.7	-29.5	35.4	0	0	0	113.6	Y140 Y160 V380 S381 H382	Y140-P378 HydrophobicContact CD1-CB 4.06Å; Y140-P378 HydrophobicContact CE1-CB 4.1Å; Y160-P378 WeakPolarHBondContact OH-CD 3.27Å; P378-V380 PolarHBondContact O-N 3.27Å; P378-S381 PolarHBondContact O-N 2.79Å; P378-H382 WeakPolarHBondContact O-CB 3.25Å; P378-H382 PolarHBondContact O-CD2 3.09Å; P378-H382 PolarHBondContact O-N 3.46Å
379	K	82.3	Confident	81.9	Confident	3 Å²	3	16.1 Å²	16.1	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-51.9	-49.9	173.6	-173.3	173.5	-177.8	-176.8	0	113.7	Y140 E162 I165 P377 I383 G428	Y140-K379 HydrophobicContact CE1-CB 4.49Å; Y140-K379 HydrophobicContact CE2-CB 3.97Å; Y140-K379 HydrophobicContact CE2-CD 4.42Å; Y140-K379 WeakPolarHBondContact OH-CB 3.46Å; E162-K379 HydrophobicContact CB-CD 3.85Å; E162-K379 PolarHBondContact O-NZ 3.03Å; E162-K379 WeakPolarHBondContact OE2-CE 3.48Å; E162-K379 IonicContact OE2-NZ 2.54Å; E162-K379 PolarHBondContact OE2-NZ 2.83Å; I165-K379 HydrophobicContact CD1-CB 3.72Å; I165-K379 HydrophobicContact CD1-CD 3.77Å; I165-K379 HydrophobicContact CD1-CG 4.4Å; P377-K379 PolarHBondContact O-N 2.95Å; K379-I383 HydrophobicContact CG-CD1 4.36Å; K379-I383 WeakPolarHBondContact O-CD1 3.44Å; K379-I383 WeakPolarHBondContact O-CG1 3.42Å; K379-I383 PolarHBondContact O-N 3.49Å; K379-G428 WeakPolarHBondContact CE-O 3.31Å; K379-G428 PolarHBondContact NZ-O 3.03Å
380	V	78.8	Confident	82.5	Confident	3 Å²	3	16 Å²	16	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-43.7	-179.3	-178.1	0	0	0	0	109.3	Y167 L332 P377 P378 H382 I383 T384	Y167-V380 HydrophobicContact CD2-CG2 4.43Å; L332-V380 HydrophobicContact CD1-CG1 4.13Å; P377-V380 PolarHBondContact O-N 2.98Å; P378-V380 PolarHBondContact O-N 3.27Å; V380-H382 PolarHBondContact O-N 2.67Å; V380-I383 PolarHBondContact O-N 2.96Å; V380-I383 VanDerWaalsContact O-N 3.15Å; V380-T384 PolarHBondContact O-N 3.23Å; V380-T384 PolarHBondContact O-OG1 2.91Å
381	S	85.9	Confident	83.3	Confident	1 Å²	1	14 Å²	14	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-38.4	179.5	-162.6	0	0	0	0	113.4	H253 P377 P378 T384 F385	H253-S381 VanDerWaalsContact NE2-CB 3.31Å; H253-S381 WeakPolarHBondContact NE2-CB 3.09Å; H253-S381 PolarHBondContact NE2-OG 2.64Å; P377-S381 PolarHBondContact O-N 2.88Å; P377-S381 VanDerWaalsContact O-N 3.15Å; P378-S381 PolarHBondContact O-N 2.79Å; S381-T384 PolarHBondContact O-N 3.3Å; S381-F385 WeakPolarHBondContact O-CB 3.33Å; S381-F385 PolarHBondContact O-N 2.7Å
382	H	89	Confident	84.9	Confident	10 Å²	10	13.7 Å²	13.7	5%	0.046	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-42.1	173.3	-66.7	177.9	0	0	0	111.7	F131 S252 H253 A256 P378 V380 F385 A386	F131-H382 AromaticContact CD1-CE1 3.93Å; S252-H382 PolarHBondContact OG-CE1 3.19Å; S252-H382 PolarHBondContact OG-NE2 2.91Å; H253-H382 AromaticContact CD2-CD2 3.83Å; H253-H382 AromaticContact CE1-CD2 3.97Å; H253-H382 AromaticContact CG-CD2 3.81Å; H253-H382 AromaticContact ND1-CD2 3.91Å; H253-H382 AromaticContact ND1-NE2 3.99Å; H253-H382 AromaticContact NE2-CD2 3.93Å; A256-H382 HydrophobicContact CB-CB 3.79Å; A256-H382 VanDerWaalsContact CB-ND1 3.33Å; A256-H382 WeakPolarHBondContact CB-ND1 3.35Å; P378-H382 WeakPolarHBondContact O-CB 3.25Å; P378-H382 PolarHBondContact O-CD2 3.09Å; P378-H382 PolarHBondContact O-N 3.46Å; V380-H382 PolarHBondContact O-N 2.67Å; H382-F385 PolarHBondContact O-N 3.16Å; H382-A386 PolarHBondContact O-N 2.95Å
383	I	87.3	Confident	86.5	Confident	7 Å²	7	9.1 Å²	9.1	4%	0.036	6%	0.061	C	C	.	.	H	α-helix	trans	-69.6	-40.5	177.4	-64.8	164.6	0	0	0	110.8	K379 V380 F385 A386 H387 N433 N434	K379-I383 HydrophobicContact CG-CD1 4.36Å; K379-I383 WeakPolarHBondContact O-CD1 3.44Å; K379-I383 WeakPolarHBondContact O-CG1 3.42Å; K379-I383 PolarHBondContact O-N 3.49Å; V380-I383 PolarHBondContact O-N 2.96Å; V380-I383 VanDerWaalsContact O-N 3.15Å; I383-F385 VanDerWaalsContact C-N 3.34Å; I383-F385 PolarHBondContact O-N 3.18Å; I383-A386 WeakPolarHBondContact O-CB 3.5Å; I383-A386 PolarHBondContact O-N 3.12Å; I383-H387 PolarHBondContact O-N 2.9Å; I383-N433 HydrophobicContact CD1-CB 4.21Å; I383-N434 WeakPolarHBondContact CD1-OD1 3.41Å
384	T	86.3	Confident	88	Confident	14 Å²	14	5.9 Å²	5.9	9%	0.086	4%	0.035	C	C	.	.	H	α-helix	trans	-56.9	-46.5	171	-68.8	0	0	0	0	111.2	L332 I367 V380 S381 A386 H387 E388	L332-T384 HydrophobicContact CB-CG2 3.72Å; L332-T384 WeakPolarHBondContact O-CG2 3.37Å; I367-T384 HydrophobicContact CB-CG2 4.31Å; I367-T384 HydrophobicContact CG2-CG2 4.04Å; V380-T384 PolarHBondContact O-N 3.23Å; V380-T384 PolarHBondContact O-OG1 2.91Å; S381-T384 PolarHBondContact O-N 3.3Å; T384-A386 VanDerWaalsContact C-N 3.34Å; T384-A386 PolarHBondContact O-N 3.19Å; T384-H387 WeakPolarHBondContact O-CB 3.45Å; T384-H387 PolarHBondContact O-N 3.41Å; T384-H387 VanDerWaalsContact O-N 3.11Å; T384-E388 PolarHBondContact O-N 3.5Å
385	F	95.6	Very high	89.5	Confident	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-64.6	-39	177.6	-171.7	-143.9	0	0	0	112	L228 H253 V254 I257 Y320 F322 I367 S381 H382 I383 H387 V389	L228-F385 HydrophobicContact CD1-CZ 4.38Å; H253-F385 HydrophobicContact CB-CD1 3.81Å; H253-F385 HydrophobicContact CB-CE1 4.13Å; V254-F385 HydrophobicContact CG2-CE1 4.04Å; V254-F385 HydrophobicContact CG2-CZ 4.49Å; I257-F385 HydrophobicContact CD1-CD1 3.9Å; I257-F385 HydrophobicContact CD1-CE1 3.43Å; I257-F385 VanDerWaalsContact CD1-CE1 3.43Å; I257-F385 HydrophobicContact CD1-CZ 3.79Å; I257-F385 HydrophobicContact CG1-CD1 4.16Å; I257-F385 HydrophobicContact CG1-CE1 3.95Å; I257-F385 HydrophobicContact CG2-CB 4.26Å; I257-F385 HydrophobicContact CG2-CD1 3.62Å; I257-F385 HydrophobicContact CG2-CE1 4.28Å; I257-F385 HydrophobicContact CG2-CG 4.12Å; Y320-F385 HydrophobicContact CD1-CD2 4.06Å; Y320-F385 AromaticContact CD1-CE2 3.65Å; Y320-F385 HydrophobicContact CD1-CE2 3.65Å; Y320-F385 HydrophobicContact CD2-CE2 4.13Å; Y320-F385 AromaticContact CE1-CD2 3.89Å; Y320-F385 HydrophobicContact CE1-CD2 3.89Å; Y320-F385 AromaticContact CE1-CE2 3.75Å; Y320-F385 HydrophobicContact CE1-CE2 3.75Å; Y320-F385 HydrophobicContact CE2-CE2 4.24Å; Y320-F385 AromaticContact CG-CE2 3.85Å; Y320-F385 HydrophobicContact CG-CE2 3.85Å; F322-F385 HydrophobicContact CE1-CD2 4.46Å; F322-F385 HydrophobicContact CE1-CE2 4.06Å; F322-F385 HydrophobicContact CE1-CZ 4.16Å; F322-F385 HydrophobicContact CZ-CD1 4.31Å; F322-F385 HydrophobicContact CZ-CD2 4.43Å; F322-F385 HydrophobicContact CZ-CE1 4.07Å; F322-F385 HydrophobicContact CZ-CE2 4.22Å; F322-F385 HydrophobicContact CZ-CG 4.48Å; F322-F385 HydrophobicContact CZ-CZ 4.03Å; I367-F385 HydrophobicContact CD1-CB 3.94Å; I367-F385 HydrophobicContact CD1-CD2 4.17Å; I367-F385 HydrophobicContact CD1-CG 4.12Å; I367-F385 HydrophobicContact CG2-CB 4.49Å; I367-F385 HydrophobicContact CG2-CD2 4.22Å; S381-F385 WeakPolarHBondContact O-CB 3.33Å; S381-F385 PolarHBondContact O-N 2.7Å; H382-F385 PolarHBondContact O-N 3.16Å; I383-F385 VanDerWaalsContact C-N 3.34Å; I383-F385 PolarHBondContact O-N 3.18Å; F385-H387 VanDerWaalsContact C-N 3.29Å; F385-H387 PolarHBondContact O-N 3.22Å; F385-V389 HydrophobicContact CD2-CG2 3.9Å; F385-V389 HydrophobicContact CE2-CG2 3.7Å; F385-V389 HydrophobicContact CZ-CG2 4.28Å; F385-V389 WeakPolarHBondContact O-CB 3.31Å; F385-V389 VanDerWaalsContact O-CG2 3.23Å; F385-V389 WeakPolarHBondContact O-CG2 3.32Å; F385-V389 PolarHBondContact O-N 3.24Å
386	A	96.4	Very high	90.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.7	-34.8	172	0	0	0	0	0	112.8	I257 I260 H382 I383 T384 G390 I420	I257-A386 HydrophobicContact CG2-CB 3.96Å; I260-A386 HydrophobicContact CD1-CB 4.03Å; H382-A386 PolarHBondContact O-N 2.95Å; I383-A386 WeakPolarHBondContact O-CB 3.5Å; I383-A386 PolarHBondContact O-N 3.12Å; T384-A386 VanDerWaalsContact C-N 3.34Å; T384-A386 PolarHBondContact O-N 3.19Å; A386-G390 PolarHBondContact O-N 3.36Å; A386-I420 HydrophobicContact CB-CD1 4.24Å; A386-I420 HydrophobicContact CB-CG2 4Å
387	H	92.9	Very high	91.1	Very high	13 Å²	13	8.7 Å²	8.7	6%	0.06	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-51.6	177.2	-173	108.2	0	0	0	112	C177 I383 T384 F385 V389 G390 H391 H397 I420 M421 Y422	C177-H387 PolarHBondContact SG-NE2 3.24Å; C177-H387 VanDerWaalsContact SG-NE2 3.37Å; I383-H387 PolarHBondContact O-N 2.9Å; T384-H387 WeakPolarHBondContact O-CB 3.45Å; T384-H387 PolarHBondContact O-N 3.41Å; T384-H387 VanDerWaalsContact O-N 3.11Å; F385-H387 VanDerWaalsContact C-N 3.29Å; F385-H387 PolarHBondContact O-N 3.22Å; H387-V389 VanDerWaalsContact C-N 3.31Å; H387-V389 PolarHBondContact O-N 2.9Å; H387-G390 CarbonylContact O-C 3.54Å; H387-G390 WeakPolarHBondContact O-CA 3.46Å; H387-G390 PolarHBondContact O-N 3.43Å; H387-H391 AromaticContact CD2-CD2 3.86Å; H387-H391 AromaticContact CD2-NE2 3.87Å; H387-H391 AromaticContact NE2-CD2 3.9Å; H387-H391 AromaticContact NE2-CE1 3.98Å; H387-H391 AromaticContact NE2-NE2 3.4Å; H387-H391 PolarHBondContact NE2-NE2 2.98Å; H387-H391 PolarHBondContact O-N 3.04Å; H387-H397 AromaticContact CE1-CD2 3.42Å; H387-H397 PolarHBondContact CE1-CD2 2.95Å; H387-H397 VanDerWaalsContact CE1-CD2 3.42Å; H387-H397 AromaticContact CE1-NE2 3.47Å; H387-H397 PolarHBondContact CE1-NE2 3.24Å; H387-H397 AromaticContact NE2-CD2 3.41Å; H387-H397 PolarHBondContact NE2-CD2 3.18Å; H387-H397 AromaticContact NE2-NE2 3.03Å; H387-H397 PolarHBondContact NE2-NE2 3.17Å; H387-I420 HydrophobicContact CB-CG2 4.17Å; H387-I420 PolarHBondContact ND1-O 3.27Å; H387-M421 WeakPolarHBondContact O-CE 3.38Å; H387-Y422 PolarHBondContact CE1-O 3.4Å; H387-Y422 VanDerWaalsContact CE1-O 3.3Å
388	E	96.3	Very high	91.4	Very high	7 Å²	7	9 Å²	9	3%	0.033	5%	0.052	C	C	.	.	H	α-helix	trans	-65.9	-34.2	179.6	-60.2	-47.2	142.4	0	0	112.4	Y320 G333 L334 A335 I367 T384 G390 H391 N392	Y320-E388 HydrophobicContact CE1-CB 3.92Å; Y320-E388 WeakPolarHBondContact OH-CB 3.32Å; Y320-E388 PolarHBondContact OH-O 2.91Å; G333-E388 VanDerWaalsContact C-CD 3.48Å; G333-E388 VanDerWaalsContact C-OE1 3.31Å; L334-E388 VanDerWaalsContact CA-OE2 3.25Å; L334-E388 WeakPolarHBondContact CA-OE2 3.32Å; L334-E388 PolarHBondContact N-OE2 3.08Å; A335-E388 HydrophobicContact CB-CB 4.01Å; A335-E388 WeakPolarHBondContact CB-O 3.43Å; A335-E388 VanDerWaalsContact CB-OE2 3.25Å; A335-E388 WeakPolarHBondContact CB-OE2 3.19Å; A335-E388 PolarHBondContact N-OE2 3.25Å; I367-E388 HydrophobicContact CG2-CB 4.42Å; I367-E388 HydrophobicContact CG2-CG 3.94Å; T384-E388 PolarHBondContact O-N 3.5Å; E388-G390 VanDerWaalsContact C-N 3.35Å; E388-H391 PolarHBondContact O-N 3.15Å; E388-H391 IonicContact OE2-CD2 2.7Å; E388-N392 PolarHBondContact O-N 2.02Å; E388-N392 PolarHBondContact O-ND2 3.39Å
389	V	98.3	Very high	91.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-70.8	-34.1	171.5	-179.5	0	0	0	0	110.3	I257 Y261 F274 L318 Y320 F385 H387 H391 N392 F393	I257-V389 HydrophobicContact CD1-CG2 4.07Å; Y261-V389 HydrophobicContact CE2-CG1 4.25Å; Y261-V389 PolarHBondContact OH-O 2.91Å; F274-V389 HydrophobicContact CE1-CG1 3.84Å; F274-V389 HydrophobicContact CZ-CG1 3.63Å; L318-V389 HydrophobicContact CD1-CG1 4.09Å; Y320-V389 HydrophobicContact CE2-CG2 4.03Å; Y320-V389 PolarHBondContact OH-N 3.01Å; F385-V389 HydrophobicContact CD2-CG2 3.9Å; F385-V389 HydrophobicContact CE2-CG2 3.7Å; F385-V389 HydrophobicContact CZ-CG2 4.28Å; F385-V389 WeakPolarHBondContact O-CB 3.31Å; F385-V389 VanDerWaalsContact O-CG2 3.23Å; F385-V389 WeakPolarHBondContact O-CG2 3.32Å; F385-V389 PolarHBondContact O-N 3.24Å; H387-V389 VanDerWaalsContact C-N 3.31Å; H387-V389 PolarHBondContact O-N 2.9Å; V389-H391 PolarHBondContact O-N 3.21Å; V389-N392 PolarHBondContact O-N 2.03Å; V389-F393 HydrophobicContact CG1-CD2 3.67Å; V389-F393 HydrophobicContact CG1-CE2 3.53Å; V389-F393 WeakPolarHBondContact O-CB 3.47Å; V389-F393 WeakPolarHBondContact O-CD2 3.3Å; V389-F393 PolarHBondContact O-N 3.39Å
390	G	97.9	Very high	91.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-40.8	171.6	0	0	0	0	0	113.3	Y261 A386 H387 E388 F393 G394 S395	Y261-G390 VanDerWaalsContact OH-CA 3.25Å; Y261-G390 WeakPolarHBondContact OH-CA 2.92Å; Y261-G390 PolarHBondContact OH-N 3.41Å; A386-G390 PolarHBondContact O-N 3.36Å; H387-G390 CarbonylContact O-C 3.54Å; H387-G390 WeakPolarHBondContact O-CA 3.46Å; H387-G390 PolarHBondContact O-N 3.43Å; E388-G390 VanDerWaalsContact C-N 3.35Å; G390-F393 PolarHBondContact O-N 3.37Å; G390-G394 PolarHBondContact O-N 3.1Å; G390-S395 WeakPolarHBondContact O-CB 3.23Å; G390-S395 PolarHBondContact O-N 3.43Å
391	H	96.5	Very high	91.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-49.5	168.5	-82.6	-29.1	0	0	0	112	F183 A335 V337 G338 H387 E388 V389 F393 G394 S395 H397 M421	F183-H391 AromaticContact CE1-NE2 3.86Å; F183-H391 AromaticContact CZ-NE2 3.89Å; A335-H391 HydrophobicContact CB-CB 3.88Å; V337-H391 CarbonylContact C-O 3.28Å; V337-H391 WeakPolarHBondContact CA-O 3.18Å; V337-H391 HydrophobicContact CG2-CB 4.25Å; G338-H391 PolarHBondContact N-O 3.13Å; H387-H391 AromaticContact CD2-CD2 3.86Å; H387-H391 AromaticContact CD2-NE2 3.87Å; H387-H391 AromaticContact NE2-CD2 3.9Å; H387-H391 AromaticContact NE2-CE1 3.98Å; H387-H391 AromaticContact NE2-NE2 3.4Å; H387-H391 PolarHBondContact NE2-NE2 2.98Å; H387-H391 PolarHBondContact O-N 3.04Å; E388-H391 PolarHBondContact O-N 3.15Å; E388-H391 IonicContact OE2-CD2 2.7Å; V389-H391 PolarHBondContact O-N 3.21Å; H391-F393 PolarHBondContact O-N 3.38Å; H391-G394 WeakPolarHBondContact O-CA 3.3Å; H391-G394 PolarHBondContact O-N 2.95Å; H391-S395 PolarHBondContact ND1-O 2.91Å; H391-H397 AromaticContact CE1-CD2 3.49Å; H391-H397 PolarHBondContact CE1-CD2 2.87Å; H391-H397 VanDerWaalsContact CE1-CD2 3.49Å; H391-H397 AromaticContact CE1-CE1 3.85Å; H391-H397 AromaticContact CE1-NE2 3.28Å; H391-H397 PolarHBondContact CE1-NE2 2.81Å; H391-H397 VanDerWaalsContact CE1-NE2 3.28Å; H391-H397 AromaticContact NE2-CD2 3.75Å; H391-H397 AromaticContact NE2-CE1 3.68Å; H391-H397 AromaticContact NE2-NE2 3.07Å; H391-H397 PolarHBondContact NE2-NE2 2.79Å; H391-M421 WeakPolarHBondContact ND1-CE 3.38Å
392	N	98.5	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-31.7	177.8	-87	-81.9	0	0	0	113.5	L318 Y320 A335 G346 I347 E388 V389 G394	L318-N392 HydrophobicContact CD1-CB 3.78Å; L318-N392 HydrophobicContact CD2-CB 3.7Å; L318-N392 WeakPolarHBondContact CD2-OD1 3.49Å; L318-N392 HydrophobicContact CG-CB 4.42Å; Y320-N392 PolarHBondContact OH-ND2 3.43Å; A335-N392 WeakPolarHBondContact CB-ND2 3.43Å; G346-N392 CarbonylContact C-O 3.57Å; G346-N392 WeakPolarHBondContact CA-O 3.49Å; I347-N392 PolarHBondContact N-O 3.39Å; E388-N392 PolarHBondContact O-N 2.02Å; E388-N392 PolarHBondContact O-ND2 3.39Å; V389-N392 PolarHBondContact O-N 2.03Å; N392-G394 PolarHBondContact O-N 2.8Å
393	F	98.3	Very high	91.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.7	173.1	-83	-120.4	0	0	0	112.8	C226 Y261 I272 F274 L318 I347 V389 G390 H391 I444 V447 L448 F456	C226-F393 HydrophobicContact CB-CZ 4.41Å; Y261-F393 HydrophobicContact CD1-CD1 4.4Å; Y261-F393 HydrophobicContact CD1-CE1 4.14Å; Y261-F393 AromaticContact CE1-CD1 3.71Å; Y261-F393 HydrophobicContact CE1-CD1 3.71Å; Y261-F393 HydrophobicContact CE1-CD2 4.31Å; Y261-F393 AromaticContact CE1-CE1 3.82Å; Y261-F393 HydrophobicContact CE1-CE1 3.82Å; Y261-F393 HydrophobicContact CE1-CE2 4.41Å; Y261-F393 AromaticContact CE1-CG 3.97Å; Y261-F393 HydrophobicContact CE1-CG 3.97Å; Y261-F393 HydrophobicContact CE1-CZ 4.17Å; I272-F393 HydrophobicContact CG2-CE1 3.83Å; I272-F393 HydrophobicContact CG2-CZ 4.24Å; F274-F393 AromaticContact CE1-CE2 3.71Å; F274-F393 HydrophobicContact CE1-CE2 3.71Å; F274-F393 AromaticContact CE1-CZ 3.63Å; F274-F393 HydrophobicContact CE1-CZ 3.63Å; F274-F393 AromaticContact CZ-CE2 3.82Å; F274-F393 HydrophobicContact CZ-CE2 3.82Å; F274-F393 AromaticContact CZ-CZ 3.6Å; F274-F393 HydrophobicContact CZ-CZ 3.6Å; L318-F393 HydrophobicContact CD1-CD2 4.36Å; L318-F393 HydrophobicContact CD1-CE2 3.97Å; I347-F393 HydrophobicContact CG2-CD2 3.44Å; I347-F393 VanDerWaalsContact CG2-CD2 3.44Å; I347-F393 HydrophobicContact CG2-CE2 3.43Å; I347-F393 VanDerWaalsContact CG2-CE2 3.43Å; I347-F393 HydrophobicContact CG2-CG 4.1Å; I347-F393 HydrophobicContact CG2-CZ 4.07Å; V389-F393 HydrophobicContact CG1-CD2 3.67Å; V389-F393 HydrophobicContact CG1-CE2 3.53Å; V389-F393 WeakPolarHBondContact O-CB 3.47Å; V389-F393 WeakPolarHBondContact O-CD2 3.3Å; V389-F393 PolarHBondContact O-N 3.39Å; G390-F393 PolarHBondContact O-N 3.37Å; H391-F393 PolarHBondContact O-N 3.38Å; F393-I444 HydrophobicContact CB-CD1 4.43Å; F393-I444 HydrophobicContact CB-CG1 3.98Å; F393-I444 HydrophobicContact CB-CG2 3.99Å; F393-I444 HydrophobicContact CD1-CG2 3.95Å; F393-I444 HydrophobicContact CG-CG2 4.48Å; F393-I444 WeakPolarHBondContact O-CA 2.99Å; F393-V447 WeakPolarHBondContact O-CB 3.39Å; F393-L448 HydrophobicContact CD1-CD2 3.93Å; F393-L448 HydrophobicContact CD1-CG 4.35Å; F393-L448 HydrophobicContact CE1-CD2 3.82Å; F393-F456 HydrophobicContact CE1-CZ 4.05Å; F393-F456 AromaticContact CZ-CZ 3.93Å; F393-F456 HydrophobicContact CZ-CZ 3.93Å
394	G	95.6	Very high	91	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	16.7	170	0	0	0	0	0	116.2	G338 G390 H391 N392 P396	G338-G394 WeakPolarHBondContact O-CA 3.25Å; G390-G394 PolarHBondContact O-N 3.1Å; H391-G394 WeakPolarHBondContact O-CA 3.3Å; H391-G394 PolarHBondContact O-N 2.95Å; N392-G394 PolarHBondContact O-N 2.8Å; G394-P396 WeakPolarHBondContact O-CD 3.26Å
395	S	95.9	Very high	90.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.144	C	C	.	.			trans	-78	125.8	165.1	-164.8	0	0	0	0	110.5	G390 H391 S440	G390-S395 WeakPolarHBondContact O-CB 3.23Å; G390-S395 PolarHBondContact O-N 3.43Å; H391-S395 PolarHBondContact ND1-O 2.91Å; S395-S440 WeakPolarHBondContact OG-CA 3.27Å; S395-S440 WeakPolarHBondContact OG-CB 3.45Å
396	P	90.7	Very high	89.7	Confident	64 Å²	64	23 Å²	23	42%	0.416	15%	0.152	S	C	.	.			trans	-68.6	-178.5	153.5	35.6	-35.4	0	0	0	109.4	G394 N443	G394-P396 WeakPolarHBondContact O-CD 3.26Å; P396-N443 VanDerWaalsContact CD-ND2 3.31Å; P396-N443 WeakPolarHBondContact CD-ND2 3.46Å
397	H	88.4	Confident	88.6	Confident	43 Å²	43	27.5 Å²	27.5	20%	0.199	17%	0.173	C	C	.	.			trans	-65.7	148.8	170.5	-64.5	132.1	0	0	0	113.2	C177 F183 H387 H391 M421 A423	C177-H397 PolarHBondContact SG-NE2 3.39Å; F183-H397 AromaticContact CE2-CE1 3.87Å; F183-H397 AromaticContact CZ-CE1 3.65Å; H387-H397 AromaticContact CE1-CD2 3.42Å; H387-H397 PolarHBondContact CE1-CD2 2.95Å; H387-H397 VanDerWaalsContact CE1-CD2 3.42Å; H387-H397 AromaticContact CE1-NE2 3.47Å; H387-H397 PolarHBondContact CE1-NE2 3.24Å; H387-H397 AromaticContact NE2-CD2 3.41Å; H387-H397 PolarHBondContact NE2-CD2 3.18Å; H387-H397 AromaticContact NE2-NE2 3.03Å; H387-H397 PolarHBondContact NE2-NE2 3.17Å; H391-H397 AromaticContact CE1-CD2 3.49Å; H391-H397 PolarHBondContact CE1-CD2 2.87Å; H391-H397 VanDerWaalsContact CE1-CD2 3.49Å; H391-H397 AromaticContact CE1-CE1 3.85Å; H391-H397 AromaticContact CE1-NE2 3.28Å; H391-H397 PolarHBondContact CE1-NE2 2.81Å; H391-H397 VanDerWaalsContact CE1-NE2 3.28Å; H391-H397 AromaticContact NE2-CD2 3.75Å; H391-H397 AromaticContact NE2-CE1 3.68Å; H391-H397 AromaticContact NE2-NE2 3.07Å; H391-H397 PolarHBondContact NE2-NE2 2.79Å; H397-M421 CarbonylContact C-O 3.46Å; H397-M421 WeakPolarHBondContact CA-O 2.97Å; H397-M421 WeakPolarHBondContact CB-O 3.27Å; H397-M421 PolarHBondContact CD2-O 2.86Å; H397-A423 HydrophobicContact CB-CB 3.82Å
398	D	85.1	Confident	87.8	Confident	7 Å²	7	28 Å²	28	4%	0.037	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-65.7	136.7	171.1	-71.2	-40.5	0	0	0	110.7	C403 T404 Y419 M421 S437 S440	D398-C403 HydrophobicContact CB-CB 4.03Å; D398-T404 HydrophobicContact CB-CG2 4.17Å; D398-T404 WeakPolarHBondContact O-CG2 3.43Å; D398-Y419 WeakPolarHBondContact OD2-CB 3.28Å; D398-M421 PolarHBondContact N-O 3.15Å; D398-M421 WeakPolarHBondContact OD2-CB 3.03Å; D398-S437 WeakPolarHBondContact OD1-CB 3.31Å; D398-S437 PolarHBondContact OD1-OG 3.39Å; D398-S440 PolarHBondContact OD1-OG 2.89Å
399	S	80.4	Confident	86.8	Confident	86 Å²	86	38.1 Å²	38.1	60%	0.601	22%	0.222	S	C	*	.			trans	-147.9	154.4	-179.5	49.8	0	0	0	0	111
400	G	79.3	Confident	85.8	Confident	42 Å²	42	40.7 Å²	40.7	43%	0.433	24%	0.24	S	C	.	.	S	Bend	trans	79	144.6	-173.1	0	0	0	0	0	112.8	E402 C403 T404	G400-E402 PolarHBondContact O-N 3.47Å; G400-C403 CarbonylContact O-C 3.49Å; G400-C403 PolarHBondContact O-N 2.92Å; G400-T404 PolarHBondContact O-N 3.3Å; G400-T404 PolarHBondContact O-OG1 3.36Å
401	A	77.8	Confident	84.6	Confident	60 Å²	60	45.9 Å²	45.9	50%	0.496	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-4.6	-171.5	0	0	0	0	0	115.5
402	E	85.9	Confident	83.7	Confident	121 Å²	121	49.1 Å²	49.1	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-35.1	169.6	60.6	-158.7	-121.8	0	0	113.2	G400 Y438	G400-E402 PolarHBondContact O-N 3.47Å; E402-Y438 HydrophobicContact CB-CE1 4.04Å; E402-Y438 VanDerWaalsContact CB-OH 3.29Å; E402-Y438 WeakPolarHBondContact CB-OH 3.37Å; E402-Y438 HydrophobicContact CG-CE1 4.34Å; E402-Y438 WeakPolarHBondContact CG-OH 3.23Å; E402-Y438 PolarHBondContact OE1-OH 2.96Å
403	C	89.1	Confident	82.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-8.3	178.3	-67.6	0	0	0	0	113	D398 G400 P405 Y419 S437 C439	D398-C403 HydrophobicContact CB-CB 4.03Å; G400-C403 CarbonylContact O-C 3.49Å; G400-C403 PolarHBondContact O-N 2.92Å; C403-P405 WeakPolarHBondContact O-CD 3.42Å; C403-Y419 WeakPolarHBondContact O-CD2 3.42Å; C403-S437 PolarHBondContact SG-OG 2.78Å; C403-S437 VanDerWaalsContact SG-OG 3.36Å; C403-C439 HydrophobicContact CB-CB 3.91Å; C403-C439 WeakPolarHBondContact CB-SG 3.39Å; C403-C439 WeakPolarHBondContact SG-CB 3.49Å; C403-C439 PolarHBondContact SG-N 2.81Å; C403-C439 CovalentContact SG-SG 2.04Å; C403-C439 PolarHBondContact SG-SG 3.47Å
404	T	84.9	Confident	81.3	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	32%	0.324	C	S	.	.			trans	-116	59.2	166.6	64.5	0	0	0	0	113.2	D398 G400 G406 E407 N418 Y422	D398-T404 HydrophobicContact CB-CG2 4.17Å; D398-T404 WeakPolarHBondContact O-CG2 3.43Å; G400-T404 PolarHBondContact O-N 3.3Å; G400-T404 PolarHBondContact O-OG1 3.36Å; T404-G406 PolarHBondContact O-N 3.13Å; T404-G406 VanDerWaalsContact O-N 3.11Å; T404-E407 WeakPolarHBondContact CB-OE2 3.16Å; T404-E407 WeakPolarHBondContact O-CB 3.46Å; T404-E407 PolarHBondContact O-N 2.79Å; T404-E407 PolarHBondContact OG1-OE2 2.88Å; T404-N418 VanDerWaalsContact CA-OD1 3.25Å; T404-N418 WeakPolarHBondContact CA-OD1 3.43Å; T404-N418 PolarHBondContact O-OD1 2.73Å; T404-Y422 HydrophobicContact CG2-CD2 3.81Å; T404-Y422 HydrophobicContact CG2-CE2 4.05Å
405	P	82.6	Confident	80.2	Confident	10 Å²	10	64 Å²	64	7%	0.065	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.2	-175.6	22.1	-30.6	0	0	0	115	C403 E407 S408 K413 K414 G417 Y419	C403-P405 WeakPolarHBondContact O-CD 3.42Å; P405-E407 PolarHBondContact O-N 2.88Å; P405-S408 WeakPolarHBondContact O-CB 3.28Å; P405-S408 PolarHBondContact O-N 3.15Å; P405-S408 VanDerWaalsContact O-N 3.11Å; P405-K413 HydrophobicContact CB-CB 4.06Å; P405-K413 CarbonylContact O-C 3.56Å; P405-K413 VanDerWaalsContact O-C 3.27Å; P405-K414 PolarHBondContact O-N 2.92Å; P405-G417 WeakPolarHBondContact CG-O 3.31Å; P405-Y419 HydrophobicContact CG-CD2 4.3Å; P405-Y419 HydrophobicContact CG-CE2 3.69Å
406	G	72.8	Confident	79.3	Confident	17 Å²	17	68.1 Å²	68.1	18%	0.175	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.1	169.5	0	0	0	0	0	114.4	T404 S408 N418	T404-G406 PolarHBondContact O-N 3.13Å; T404-G406 VanDerWaalsContact O-N 3.11Å; G406-S408 VanDerWaalsContact C-N 3.33Å; G406-N418 WeakPolarHBondContact CA-OD1 3.36Å; G406-N418 PolarHBondContact N-OD1 2.9Å
407	E	73	Confident	78.8	Confident	94 Å²	94	65.2 Å²	65.2	44%	0.439	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-89.2	0.4	172.9	-58.8	-175.8	128.6	0	0	112.5	T404 P405 Y422 R424	T404-E407 WeakPolarHBondContact CB-OE2 3.16Å; T404-E407 WeakPolarHBondContact O-CB 3.46Å; T404-E407 PolarHBondContact O-N 2.79Å; T404-E407 PolarHBondContact OG1-OE2 2.88Å; P405-E407 PolarHBondContact O-N 2.88Å; E407-Y422 HydrophobicContact CG-CE2 4.2Å; E407-Y422 PolarHBondContact OE1-OH 2.92Å; E407-R424 IonicContact OE1-CZ 3.51Å; E407-R424 IonicContact OE1-NH1 3.84Å; E407-R424 PolarHBondContact OE1-NH1 3.43Å; E407-R424 IonicContact OE1-NH2 3.92Å
408	S	76.2	Confident	78.5	Confident	23 Å²	23	63.8 Å²	63.8	16%	0.161	34%	0.339	C	S	.	.			trans	-68.6	146.9	-178.1	-161.6	0	0	0	0	112.7	P405 G406 S410	P405-S408 WeakPolarHBondContact O-CB 3.28Å; P405-S408 PolarHBondContact O-N 3.15Å; P405-S408 VanDerWaalsContact O-N 3.11Å; G406-S408 VanDerWaalsContact C-N 3.33Å; S408-S410 PolarHBondContact O-N 3.41Å; S408-S410 PolarHBondContact OG-N 2.84Å
409	K	74.9	Confident	78.8	Confident	221 Å²	221	65.9 Å²	65.9	96%	0.961	35%	0.347	S	S	*	.	S	Bend	trans	-69.5	-15.4	166.7	-62.4	-175.9	-179.4	-179	0	112.8
410	S	78	Confident	79.2	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	-85.5	118.4	178.8	-154.4	0	0	0	0	110.3	S408 D412 K413 K414	S408-S410 PolarHBondContact O-N 3.41Å; S408-S410 PolarHBondContact OG-N 2.84Å; S410-D412 VanDerWaalsContact C-N 3.29Å; S410-D412 WeakPolarHBondContact CB-OD1 3.14Å; S410-D412 PolarHBondContact O-N 2.97Å; S410-D412 PolarHBondContact OG-OD1 3.45Å; S410-K413 PolarHBondContact O-N 3.15Å; S410-K413 VanDerWaalsContact O-N 3.08Å; S410-K414 PolarHBondContact O-N 3.38Å
411	Q	72.8	Confident	79.8	Confident	109 Å²	109	59.9 Å²	59.9	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-40.2	-174.3	-176.7	64.7	12.8	0	0	112.2	K413 K414 E415	Q411-K413 PolarHBondContact O-N 2.64Å; Q411-K414 WeakPolarHBondContact O-CB 3.02Å; Q411-K414 PolarHBondContact O-N 3.3Å; Q411-K414 VanDerWaalsContact O-N 3.15Å; Q411-E415 HydrophobicContact CG-CG 4.37Å; Q411-E415 VanDerWaalsContact CG-OE1 3.32Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.26Å; Q411-E415 PolarHBondContact NE2-OE1 3.33Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.96Å
412	D	77.9	Confident	80.1	Confident	70 Å²	70	58.5 Å²	58.5	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-25.7	178.5	81.4	-70.5	0	0	0	113.9	S410 K416	S410-D412 VanDerWaalsContact C-N 3.29Å; S410-D412 WeakPolarHBondContact CB-OD1 3.14Å; S410-D412 PolarHBondContact O-N 2.97Å; S410-D412 PolarHBondContact OG-OD1 3.45Å; D412-K416 WeakPolarHBondContact O-CD 3.44Å; D412-K416 WeakPolarHBondContact O-CE 3.25Å; D412-K416 WeakPolarHBondContact O-CG 3.49Å; D412-K416 PolarHBondContact O-NZ 3.06Å; D412-K416 IonicContact OD2-NZ 3.61Å; D412-K416 PolarHBondContact OD2-NZ 3.42Å; D412-K416 VanDerWaalsContact OD2-NZ 3.08Å
413	K	75.1	Confident	79.2	Confident	96 Å²	96	54.6 Å²	54.6	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-87.3	-40.5	175.9	-68.6	-173.4	177.9	-173.6	0	110.3	P405 S410 Q411 E415 K416	P405-K413 HydrophobicContact CB-CB 4.06Å; P405-K413 CarbonylContact O-C 3.56Å; P405-K413 VanDerWaalsContact O-C 3.27Å; S410-K413 PolarHBondContact O-N 3.15Å; S410-K413 VanDerWaalsContact O-N 3.08Å; Q411-K413 PolarHBondContact O-N 2.64Å; K413-E415 PolarHBondContact O-N 2.8Å; K413-K416 PolarHBondContact O-N 2.83Å
414	K	70.6	Confident	78.1	Confident	110 Å²	110	59.2 Å²	59.2	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-41.9	178.1	-173.2	173	-178.4	-177.5	0	112.6	P405 S410 Q411 K416 G417	P405-K414 PolarHBondContact O-N 2.92Å; S410-K414 PolarHBondContact O-N 3.38Å; Q411-K414 WeakPolarHBondContact O-CB 3.02Å; Q411-K414 PolarHBondContact O-N 3.3Å; Q411-K414 VanDerWaalsContact O-N 3.15Å; K414-K416 VanDerWaalsContact C-N 3.31Å; K414-K416 PolarHBondContact O-N 2.88Å; K414-G417 PolarHBondContact O-N 2.95Å
415	E	72.4	Confident	76.7	Confident	116 Å²	116	60 Å²	60	54%	0.542	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.9	178.1	-74.4	168.5	176	0	0	113	Q411 K413 G417	Q411-E415 HydrophobicContact CG-CG 4.37Å; Q411-E415 VanDerWaalsContact CG-OE1 3.32Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.26Å; Q411-E415 PolarHBondContact NE2-OE1 3.33Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.96Å; K413-E415 PolarHBondContact O-N 2.8Å; E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 3.23Å
416	K	77.8	Confident	75.5	Confident	86 Å²	86	60.5 Å²	60.5	37%	0.374	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.8	177.6	-63.6	164.8	-168.7	144.5	0	113.3	D412 K413 K414 K430 L431 N432	D412-K416 WeakPolarHBondContact O-CD 3.44Å; D412-K416 WeakPolarHBondContact O-CE 3.25Å; D412-K416 WeakPolarHBondContact O-CG 3.49Å; D412-K416 PolarHBondContact O-NZ 3.06Å; D412-K416 IonicContact OD2-NZ 3.61Å; D412-K416 PolarHBondContact OD2-NZ 3.42Å; D412-K416 VanDerWaalsContact OD2-NZ 3.08Å; K413-K416 PolarHBondContact O-N 2.83Å; K414-K416 VanDerWaalsContact C-N 3.31Å; K414-K416 PolarHBondContact O-N 2.88Å; K416-K430 WeakPolarHBondContact O-CB 3.15Å; K416-L431 PolarHBondContact O-N 2.89Å; K416-N432 VanDerWaalsContact O-CB 3.28Å; K416-N432 WeakPolarHBondContact O-CB 3.48Å; K416-N432 PolarHBondContact O-N 3.45Å; K416-N432 PolarHBondContact O-ND2 3.4Å
417	G	79.3	Confident	74.9	Confident	3 Å²	3	61 Å²	61	3%	0.031	30%	0.297	C	S	.	.			trans	74.1	-177.3	176.8	0	0	0	0	0	114.9	P405 K414 E415 N432	P405-G417 WeakPolarHBondContact CG-O 3.31Å; K414-G417 PolarHBondContact O-N 2.95Å; E415-G417 VanDerWaalsContact C-N 3.26Å; E415-G417 PolarHBondContact O-N 3.23Å; G417-N432 WeakPolarHBondContact O-CB 3.36Å; G417-N432 PolarHBondContact O-ND2 3.04Å
418	N	83.2	Confident	74.4	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.07	28%	0.276	C	S	.	.			trans	-88.9	165.9	175.9	-66.8	-41.4	0	0	0	112.3	T404 G406 Y422 N432 N433	T404-N418 VanDerWaalsContact CA-OD1 3.25Å; T404-N418 WeakPolarHBondContact CA-OD1 3.43Å; T404-N418 PolarHBondContact O-OD1 2.73Å; G406-N418 WeakPolarHBondContact CA-OD1 3.36Å; G406-N418 PolarHBondContact N-OD1 2.9Å; N418-Y422 HydrophobicContact CB-CD1 3.85Å; N418-Y422 HydrophobicContact CB-CD2 4.06Å; N418-Y422 HydrophobicContact CB-CE1 4.45Å; N418-Y422 HydrophobicContact CB-CG 3.63Å; N418-Y422 WeakPolarHBondContact ND2-CD1 3.43Å; N418-Y422 WeakPolarHBondContact ND2-CE1 3.02Å; N418-Y422 VanDerWaalsContact ND2-CE2 3.31Å; N418-Y422 WeakPolarHBondContact ND2-CE2 3.33Å; N418-N432 CarbonylContact O-C 3.54Å; N418-N432 VanDerWaalsContact O-C 3.24Å; N418-N432 WeakPolarHBondContact O-CB 3.47Å; N418-N433 WeakPolarHBondContact O-CA 3.48Å; N418-N433 PolarHBondContact O-N 3.23Å; N418-N433 PolarHBondContact O-ND2 2.87Å
419	Y	90.3	Very high	73.8	Confident	50 Å²	50	58.4 Å²	58.4	20%	0.196	28%	0.284	C	S	.	.			trans	-83.5	173.2	177.9	-62.1	-72.7	0	0	0	112.7	D398 C403 P405 M421 Y422 N432 K435	D398-Y419 WeakPolarHBondContact OD2-CB 3.28Å; C403-Y419 WeakPolarHBondContact O-CD2 3.42Å; P405-Y419 HydrophobicContact CG-CD2 4.3Å; P405-Y419 HydrophobicContact CG-CE2 3.69Å; Y419-M421 VanDerWaalsContact C-N 3.26Å; Y419-M421 PolarHBondContact O-N 3.41Å; Y419-Y422 WeakPolarHBondContact O-CB 3.22Å; Y419-Y422 PolarHBondContact O-N 2.9Å; Y419-N432 WeakPolarHBondContact CA-O 3.34Å; Y419-N432 HydrophobicContact CD1-CB 3.66Å; Y419-N432 HydrophobicContact CE1-CB 3.69Å; Y419-N432 VanDerWaalsContact CE1-CG 3.47Å; Y419-N432 HydrophobicContact CG-CB 4.28Å; Y419-K435 WeakPolarHBondContact CB-O 3.5Å; Y419-K435 HydrophobicContact CD1-CB 4.12Å; Y419-K435 HydrophobicContact CE1-CB 4.48Å
420	I	90.4	Very high	73.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.015	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-43.6	-178.3	-69.8	165.6	0	0	0	112.2	I260 A386 H387 Y422 N433 K435 F436	I260-I420 HydrophobicContact CD1-CD1 4.36Å; I260-I420 HydrophobicContact CG2-CD1 3.57Å; A386-I420 HydrophobicContact CB-CD1 4.24Å; A386-I420 HydrophobicContact CB-CG2 4Å; H387-I420 HydrophobicContact CB-CG2 4.17Å; H387-I420 PolarHBondContact ND1-O 3.27Å; I420-Y422 PolarHBondContact O-N 2.98Å; I420-N433 WeakPolarHBondContact CG1-O 3.47Å; I420-K435 WeakPolarHBondContact CG1-O 3.31Å; I420-K435 PolarHBondContact N-O 2.04Å; I420-F436 HydrophobicContact CB-CD1 4.12Å; I420-F436 HydrophobicContact CB-CE1 4.02Å; I420-F436 HydrophobicContact CD1-CD1 4.3Å; I420-F436 HydrophobicContact CD1-CD2 4.26Å; I420-F436 HydrophobicContact CD1-CE1 4.15Å; I420-F436 HydrophobicContact CD1-CE2 4.12Å; I420-F436 HydrophobicContact CD1-CG 4.34Å; I420-F436 HydrophobicContact CD1-CZ 4.05Å; I420-F436 HydrophobicContact CG2-CD1 4.36Å; I420-F436 HydrophobicContact CG2-CE1 3.75Å; I420-F436 HydrophobicContact CG2-CZ 4.26Å
421	M	90.9	Very high	73.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	19.9	-173	-60	-54.4	-49.2	0	0	114.3	H387 H391 H397 D398 Y419 F436	H387-M421 WeakPolarHBondContact O-CE 3.38Å; H391-M421 WeakPolarHBondContact ND1-CE 3.38Å; H397-M421 CarbonylContact C-O 3.46Å; H397-M421 WeakPolarHBondContact CA-O 2.97Å; H397-M421 WeakPolarHBondContact CB-O 3.27Å; H397-M421 PolarHBondContact CD2-O 2.86Å; D398-M421 PolarHBondContact N-O 3.15Å; D398-M421 WeakPolarHBondContact OD2-CB 3.03Å; Y419-M421 VanDerWaalsContact C-N 3.26Å; Y419-M421 PolarHBondContact O-N 3.41Å; M421-F436 HydrophobicContact CG-CD1 3.91Å; M421-F436 HydrophobicContact CG-CE1 3.91Å; M421-F436 HydrophobicContact SD-CE1 3.94Å
422	Y	83.8	Confident	74.5	Confident	30 Å²	30	49.4 Å²	49.4	12%	0.118	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-68	133.8	175.4	-177.4	-126.9	0	0	0	112	H387 T404 E407 N418 Y419 I420 R424 T426	H387-Y422 PolarHBondContact CE1-O 3.4Å; H387-Y422 VanDerWaalsContact CE1-O 3.3Å; T404-Y422 HydrophobicContact CG2-CD2 3.81Å; T404-Y422 HydrophobicContact CG2-CE2 4.05Å; E407-Y422 HydrophobicContact CG-CE2 4.2Å; E407-Y422 PolarHBondContact OE1-OH 2.92Å; N418-Y422 HydrophobicContact CB-CD1 3.85Å; N418-Y422 HydrophobicContact CB-CD2 4.06Å; N418-Y422 HydrophobicContact CB-CE1 4.45Å; N418-Y422 HydrophobicContact CB-CG 3.63Å; N418-Y422 WeakPolarHBondContact ND2-CD1 3.43Å; N418-Y422 WeakPolarHBondContact ND2-CE1 3.02Å; N418-Y422 VanDerWaalsContact ND2-CE2 3.31Å; N418-Y422 WeakPolarHBondContact ND2-CE2 3.33Å; Y419-Y422 WeakPolarHBondContact O-CB 3.22Å; Y419-Y422 PolarHBondContact O-N 2.9Å; I420-Y422 PolarHBondContact O-N 2.98Å; Y422-R424 HydrophobicContact CD1-CB 4.22Å; Y422-R424 WeakPolarHBondContact CD1-O 2.94Å; Y422-R424 HydrophobicContact CE1-CB 3.7Å; Y422-R424 HydrophobicContact CE1-CG 4.34Å; Y422-R424 PolarHBondContact O-N 3.24Å; Y422-R424 PolarHBondContact OH-NH1 3.14Å; Y422-T426 HydrophobicContact CD1-CG2 3.98Å
423	A	66.7	Low	74.7	Confident	39 Å²	39	46.2 Å²	46.2	32%	0.322	23%	0.225	S	C	.	.	S	Bend	trans	-66.5	-17.2	-172.5	0	0	0	0	0	115.5	C177 H397	C177-A423 PolarHBondContact N-O 3.33Å; C177-A423 PolarHBondContact SG-O 2.79Å; C177-A423 VanDerWaalsContact SG-O 3.4Å; H397-A423 HydrophobicContact CB-CB 3.82Å
424	R	66.7	Low	75.2	Confident	97 Å²	97	44.5 Å²	44.5	37%	0.366	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-108.6	151.9	175.7	-49.8	-173.8	-169.2	98.9	3.3	109	E407 Y422	E407-R424 IonicContact OE1-CZ 3.51Å; E407-R424 IonicContact OE1-NH1 3.84Å; E407-R424 PolarHBondContact OE1-NH1 3.43Å; E407-R424 IonicContact OE1-NH2 3.92Å; Y422-R424 HydrophobicContact CD1-CB 4.22Å; Y422-R424 WeakPolarHBondContact CD1-O 2.94Å; Y422-R424 HydrophobicContact CE1-CB 3.7Å; Y422-R424 HydrophobicContact CE1-CG 4.34Å; Y422-R424 PolarHBondContact O-N 3.24Å; Y422-R424 PolarHBondContact OH-NH1 3.14Å
425	A	54.8	Low	76.2	Confident	20 Å²	20	43.9 Å²	43.9	17%	0.165	22%	0.218	C	C	.	.			trans	-60.5	155.6	-176.8	0	0	0	0	0	112	Y171	Y171-A425 HydrophobicContact CD1-CB 4.01Å; Y171-A425 WeakPolarHBondContact CD2-O 3.3Å; Y171-A425 HydrophobicContact CE1-CB 3.41Å; Y171-A425 VanDerWaalsContact CE1-CB 3.41Å; Y171-A425 VanDerWaalsContact CE2-O 3.28Å; Y171-A425 WeakPolarHBondContact CE2-O 3Å
426	T	59	Low	77.3	Confident	20 Å²	20	38.9 Å²	38.9	12%	0.123	19%	0.194	C	C	.	.			trans	-125.6	146.8	-177.8	70.1	0	0	0	0	111	Y171 Y422 G428	Y171-T426 VanDerWaalsContact OH-C 3.24Å; Y171-T426 PolarHBondContact OH-O 3.25Å; Y422-T426 HydrophobicContact CD1-CG2 3.98Å; T426-G428 VanDerWaalsContact C-N 3.27Å; T426-G428 PolarHBondContact O-N 2.87Å
427	S	58.6	Low	78.2	Confident	28 Å²	28	34.8 Å²	34.8	20%	0.196	18%	0.176	C	C	.	.			trans	-77.6	-10.9	178.4	35.4	0	0	0	0	113.4	Y171 D429	Y171-S427 PolarHBondContact OH-N 2.68Å; S427-D429 VanDerWaalsContact CB-OD1 3.23Å; S427-D429 WeakPolarHBondContact CB-OD1 3.31Å; S427-D429 PolarHBondContact O-N 3.22Å; S427-D429 VanDerWaalsContact O-N 3.11Å; S427-D429 PolarHBondContact OG-OD1 3.08Å
428	G	64.2	Low	79	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	75.7	-18.1	179.7	0	0	0	0	0	115.1	K379 T426 K430 N433	K379-G428 WeakPolarHBondContact CE-O 3.31Å; K379-G428 PolarHBondContact NZ-O 3.03Å; T426-G428 VanDerWaalsContact C-N 3.27Å; T426-G428 PolarHBondContact O-N 2.87Å; G428-K430 PolarHBondContact O-N 3.25Å; G428-K430 VanDerWaalsContact O-N 3.07Å; G428-N433 WeakPolarHBondContact CA-OD1 3.31Å; G428-N433 PolarHBondContact N-OD1 2.8Å
429	D	63.4	Low	79.5	Confident	61 Å²	61	40.5 Å²	40.5	33%	0.326	20%	0.199	S	C	.	.			trans	-60.1	-14.1	-178	68.4	-56.3	0	0	0	114.9	S427	S427-D429 VanDerWaalsContact CB-OD1 3.23Å; S427-D429 WeakPolarHBondContact CB-OD1 3.31Å; S427-D429 PolarHBondContact O-N 3.22Å; S427-D429 VanDerWaalsContact O-N 3.11Å; S427-D429 PolarHBondContact OG-OD1 3.08Å
430	K	73.2	Confident	79.9	Confident	71 Å²	71	38.1 Å²	38.1	31%	0.309	19%	0.19	S	C	.	.	S	Bend	trans	-104.3	143.9	-169.3	-47	-158.6	174.9	-55.6	0	112.9	K416 G428 N432 N433	K416-K430 WeakPolarHBondContact O-CB 3.15Å; G428-K430 PolarHBondContact O-N 3.25Å; G428-K430 VanDerWaalsContact O-N 3.07Å; K430-N432 PolarHBondContact O-N 2.64Å; K430-N433 WeakPolarHBondContact CB-OD1 3.28Å; K430-N433 PolarHBondContact N-OD1 2.63Å; K430-N433 WeakPolarHBondContact O-CB 3.22Å; K430-N433 PolarHBondContact O-N 2.98Å
431	L	80.3	Confident	80.2	Confident	109 Å²	109	39.8 Å²	39.8	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-31	-175.7	179.9	62.3	0	0	0	115.4	K416	K416-L431 PolarHBondContact O-N 2.89Å
432	N	86.9	Confident	80.5	Confident	14 Å²	14	45.6 Å²	45.6	8%	0.075	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-19.7	179.1	-68.5	-17.8	0	0	0	113.8	K416 G417 N418 Y419 K430 N434 K435	K416-N432 VanDerWaalsContact O-CB 3.28Å; K416-N432 WeakPolarHBondContact O-CB 3.48Å; K416-N432 PolarHBondContact O-N 3.45Å; K416-N432 PolarHBondContact O-ND2 3.4Å; G417-N432 WeakPolarHBondContact O-CB 3.36Å; G417-N432 PolarHBondContact O-ND2 3.04Å; N418-N432 CarbonylContact O-C 3.54Å; N418-N432 VanDerWaalsContact O-C 3.24Å; N418-N432 WeakPolarHBondContact O-CB 3.47Å; Y419-N432 WeakPolarHBondContact CA-O 3.34Å; Y419-N432 HydrophobicContact CD1-CB 3.66Å; Y419-N432 HydrophobicContact CE1-CB 3.69Å; Y419-N432 VanDerWaalsContact CE1-CG 3.47Å; Y419-N432 HydrophobicContact CG-CB 4.28Å; K430-N432 PolarHBondContact O-N 2.64Å; N432-N434 PolarHBondContact O-N 3.06Å; N432-N434 VanDerWaalsContact O-N 3.15Å; N432-K435 PolarHBondContact O-N 3.11Å
433	N	81.2	Confident	81.2	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.4	-173.6	-61.1	157	0	0	0	113.1	I383 N418 I420 G428 K430	I383-N433 HydrophobicContact CD1-CB 4.21Å; N418-N433 WeakPolarHBondContact O-CA 3.48Å; N418-N433 PolarHBondContact O-N 3.23Å; N418-N433 PolarHBondContact O-ND2 2.87Å; I420-N433 WeakPolarHBondContact CG1-O 3.47Å; G428-N433 WeakPolarHBondContact CA-OD1 3.31Å; G428-N433 PolarHBondContact N-OD1 2.8Å; K430-N433 WeakPolarHBondContact CB-OD1 3.28Å; K430-N433 PolarHBondContact N-OD1 2.63Å; K430-N433 WeakPolarHBondContact O-CB 3.22Å; K430-N433 PolarHBondContact O-N 2.98Å
434	N	85.6	Confident	82.7	Confident	60 Å²	60	43.7 Å²	43.7	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	19.1	175.7	-65.4	-34	0	0	0	113.2	I383 N432	I383-N434 WeakPolarHBondContact CD1-OD1 3.41Å; N432-N434 PolarHBondContact O-N 3.06Å; N432-N434 VanDerWaalsContact O-N 3.15Å
435	K	91.4	Very high	84.1	Confident	97 Å²	97	39.1 Å²	39.1	42%	0.422	19%	0.19	S	C	.	.	S	Bend	trans	-139.4	149.6	-174.6	-64.2	174.7	-175.2	163	0	112.1	Y419 I420 N432	Y419-K435 WeakPolarHBondContact CB-O 3.5Å; Y419-K435 HydrophobicContact CD1-CB 4.12Å; Y419-K435 HydrophobicContact CE1-CB 4.48Å; I420-K435 WeakPolarHBondContact CG1-O 3.31Å; I420-K435 PolarHBondContact N-O 2.04Å; N432-K435 PolarHBondContact O-N 3.11Å
436	F	96.3	Very high	86.1	Confident	10 Å²	10	42.3 Å²	42.3	4%	0.044	20%	0.201	C	C	.	.			trans	-78.5	149.6	167.6	-72.3	-66.8	0	0	0	111.6	I260 Y261 T264 F266 I420 M421 I441 I444	I260-F436 HydrophobicContact CG2-CD2 4.27Å; I260-F436 HydrophobicContact CG2-CE2 3.82Å; Y261-F436 AromaticContact CD2-CE2 3.99Å; Y261-F436 HydrophobicContact CD2-CE2 3.99Å; Y261-F436 HydrophobicContact CD2-CZ 4.39Å; Y261-F436 HydrophobicContact CE1-CE2 4.19Å; Y261-F436 HydrophobicContact CE1-CZ 4.32Å; Y261-F436 AromaticContact CE2-CE2 3.63Å; Y261-F436 HydrophobicContact CE2-CE2 3.63Å; Y261-F436 AromaticContact CE2-CZ 3.58Å; Y261-F436 HydrophobicContact CE2-CZ 3.58Å; Y261-F436 HydrophobicContact CG-CE2 4.44Å; Y261-F436 AromaticContact CZ-CE2 3.74Å; Y261-F436 AromaticContact CZ-CZ 3.54Å; Y261-F436 WeakPolarHBondContact OH-CZ 3.46Å; T264-F436 HydrophobicContact CG2-CD2 4.34Å; F266-F436 HydrophobicContact CE1-CD2 4.42Å; F266-F436 HydrophobicContact CZ-CD2 4.25Å; F266-F436 HydrophobicContact CZ-CE2 4.37Å; I420-F436 HydrophobicContact CB-CD1 4.12Å; I420-F436 HydrophobicContact CB-CE1 4.02Å; I420-F436 HydrophobicContact CD1-CD1 4.3Å; I420-F436 HydrophobicContact CD1-CD2 4.26Å; I420-F436 HydrophobicContact CD1-CE1 4.15Å; I420-F436 HydrophobicContact CD1-CE2 4.12Å; I420-F436 HydrophobicContact CD1-CG 4.34Å; I420-F436 HydrophobicContact CD1-CZ 4.05Å; I420-F436 HydrophobicContact CG2-CD1 4.36Å; I420-F436 HydrophobicContact CG2-CE1 3.75Å; I420-F436 HydrophobicContact CG2-CZ 4.26Å; M421-F436 HydrophobicContact CG-CD1 3.91Å; M421-F436 HydrophobicContact CG-CE1 3.91Å; M421-F436 HydrophobicContact SD-CE1 3.94Å; F436-I441 HydrophobicContact CB-CD1 4.38Å; F436-I441 HydrophobicContact CB-CG1 3.88Å; F436-I444 HydrophobicContact CD1-CD1 4.18Å; F436-I444 HydrophobicContact CE1-CD1 4.14Å; F436-I444 HydrophobicContact CZ-CD1 4.42Å
437	S	96	Very high	88	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.			trans	-78.3	166.5	169.9	91.6	0	0	0	0	110	D398 C403 C439 S440 I441	D398-S437 WeakPolarHBondContact OD1-CB 3.31Å; D398-S437 PolarHBondContact OD1-OG 3.39Å; C403-S437 PolarHBondContact SG-OG 2.78Å; C403-S437 VanDerWaalsContact SG-OG 3.36Å; S437-C439 PolarHBondContact O-N 2.87Å; S437-C439 WeakPolarHBondContact OG-CA 3.41Å; S437-C439 VanDerWaalsContact OG-CB 3.27Å; S437-C439 WeakPolarHBondContact OG-CB 3.41Å; S437-C439 PolarHBondContact OG-N 3.21Å; S437-S440 PolarHBondContact N-OG 3.22Å; S437-S440 VanDerWaalsContact N-OG 3.07Å; S437-S440 PolarHBondContact O-N 2.72Å; S437-S440 PolarHBondContact O-OG 3.15Å; S437-S440 PolarHBondContact OG-N 3.28Å; S437-S440 VanDerWaalsContact OG-N 3.1Å; S437-S440 PolarHBondContact OG-OG 3.03Å; S437-I441 WeakPolarHBondContact O-CB 3.49Å; S437-I441 VanDerWaalsContact O-CG1 3.28Å; S437-I441 WeakPolarHBondContact O-CG1 3.31Å; S437-I441 PolarHBondContact O-N 3.2Å
438	Y	95.6	Very high	89.8	Confident	120 Å²	120	40.1 Å²	40.1	47%	0.471	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-26.1	171.6	77.6	-98.3	0	0	0	112.5	E402 R442	E402-Y438 HydrophobicContact CB-CE1 4.04Å; E402-Y438 VanDerWaalsContact CB-OH 3.29Å; E402-Y438 WeakPolarHBondContact CB-OH 3.37Å; E402-Y438 HydrophobicContact CG-CE1 4.34Å; E402-Y438 WeakPolarHBondContact CG-OH 3.23Å; E402-Y438 PolarHBondContact OE1-OH 2.96Å; Y438-R442 WeakPolarHBondContact O-CB 3.26Å; Y438-R442 PolarHBondContact O-N 2.75Å
439	C	95.3	Very high	91.2	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.108	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-48.7	172.1	-59.9	0	0	0	0	110	C403 S437 N443	C403-C439 HydrophobicContact CB-CB 3.91Å; C403-C439 WeakPolarHBondContact CB-SG 3.39Å; C403-C439 WeakPolarHBondContact SG-CB 3.49Å; C403-C439 PolarHBondContact SG-N 2.81Å; C403-C439 CovalentContact SG-SG 2.04Å; C403-C439 PolarHBondContact SG-SG 3.47Å; S437-C439 PolarHBondContact O-N 2.87Å; S437-C439 WeakPolarHBondContact OG-CA 3.41Å; S437-C439 VanDerWaalsContact OG-CB 3.27Å; S437-C439 WeakPolarHBondContact OG-CB 3.41Å; S437-C439 PolarHBondContact OG-N 3.21Å; C439-N443 PolarHBondContact O-N 2.99Å; C439-N443 PolarHBondContact O-ND2 3.05Å
440	S	97.6	Very high	92.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-48.9	177.8	-12.2	0	0	0	0	111.1	S395 D398 S437 R442 N443 I444	S395-S440 WeakPolarHBondContact OG-CA 3.27Å; S395-S440 WeakPolarHBondContact OG-CB 3.45Å; D398-S440 PolarHBondContact OD1-OG 2.89Å; S437-S440 PolarHBondContact N-OG 3.22Å; S437-S440 VanDerWaalsContact N-OG 3.07Å; S437-S440 PolarHBondContact O-N 2.72Å; S437-S440 PolarHBondContact O-OG 3.15Å; S437-S440 PolarHBondContact OG-N 3.28Å; S437-S440 VanDerWaalsContact OG-N 3.1Å; S437-S440 PolarHBondContact OG-OG 3.03Å; S440-R442 PolarHBondContact O-N 2.95Å; S440-N443 PolarHBondContact O-N 2.9Å; S440-I444 WeakPolarHBondContact O-CB 3.43Å; S440-I444 VanDerWaalsContact O-CG1 3.27Å; S440-I444 WeakPolarHBondContact O-CG1 3.25Å; S440-I444 PolarHBondContact O-N 2.84Å
441	I	98.1	Very high	93.7	Very high	38 Å²	38	47.2 Å²	47.2	20%	0.195	22%	0.216	C	C	.	.	H	α-helix	trans	-54.6	-48.3	179.1	-71.2	166.7	0	0	0	111.4	T264 D265 F266 M267 F436 S437 N443 I444 S445	T264-I441 HydrophobicContact CG2-CD1 4.01Å; T264-I441 HydrophobicContact CG2-CG1 3.83Å; D265-I441 WeakPolarHBondContact O-CG2 3.43Å; F266-I441 HydrophobicContact CD1-CG2 4.41Å; M267-I441 HydrophobicContact CG-CG2 4.28Å; F436-I441 HydrophobicContact CB-CD1 4.38Å; F436-I441 HydrophobicContact CB-CG1 3.88Å; S437-I441 WeakPolarHBondContact O-CB 3.49Å; S437-I441 VanDerWaalsContact O-CG1 3.28Å; S437-I441 WeakPolarHBondContact O-CG1 3.31Å; S437-I441 PolarHBondContact O-N 3.2Å; I441-N443 PolarHBondContact O-N 3.04Å; I441-I444 PolarHBondContact O-N 3.42Å; I441-S445 WeakPolarHBondContact O-CB 3.35Å; I441-S445 PolarHBondContact O-N 3.32Å; I441-S445 PolarHBondContact O-OG 3.1Å
442	R	97.1	Very high	94.3	Very high	122 Å²	122	43.9 Å²	43.9	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-60.8	-44	-179.8	-174.6	-171.4	69	-167.6	-3.1	112.1	M267 Y438 S440 Q446	M267-R442 HydrophobicContact SD-CB 4.37Å; M267-R442 HydrophobicContact SD-CG 4.24Å; Y438-R442 WeakPolarHBondContact O-CB 3.26Å; Y438-R442 PolarHBondContact O-N 2.75Å; S440-R442 PolarHBondContact O-N 2.95Å; R442-Q446 WeakPolarHBondContact O-CG 3.34Å; R442-Q446 PolarHBondContact O-N 3.36Å
443	N	97	Very high	94.5	Very high	29 Å²	29	46 Å²	46	16%	0.155	22%	0.222	C	C	.	.	H	α-helix	trans	-71.5	-42.3	-177.3	-59.8	-23.7	0	0	0	110.9	P396 C439 S440 I441 S445 Q446 V447	P396-N443 VanDerWaalsContact CD-ND2 3.31Å; P396-N443 WeakPolarHBondContact CD-ND2 3.46Å; C439-N443 PolarHBondContact O-N 2.99Å; C439-N443 PolarHBondContact O-ND2 3.05Å; S440-N443 PolarHBondContact O-N 2.9Å; I441-N443 PolarHBondContact O-N 3.04Å; N443-S445 PolarHBondContact O-N 3.17Å; N443-Q446 PolarHBondContact O-N 3.44Å; N443-V447 PolarHBondContact O-N 3.26Å
444	I	98.2	Very high	95	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-42.4	175.6	-68.4	167.6	0	0	0	111.4	F266 F393 F436 S440 I441 Q446 V447 L448	F266-I444 HydrophobicContact CD1-CB 3.92Å; F266-I444 HydrophobicContact CD1-CG2 3.46Å; F266-I444 VanDerWaalsContact CD1-CG2 3.46Å; F266-I444 HydrophobicContact CE1-CB 3.94Å; F266-I444 HydrophobicContact CE1-CD1 3.92Å; F266-I444 HydrophobicContact CE1-CG2 3.46Å; F266-I444 VanDerWaalsContact CE1-CG2 3.46Å; F266-I444 HydrophobicContact CG-CG2 4.19Å; F266-I444 HydrophobicContact CZ-CG2 4.18Å; F393-I444 HydrophobicContact CB-CD1 4.43Å; F393-I444 HydrophobicContact CB-CG1 3.98Å; F393-I444 HydrophobicContact CB-CG2 3.99Å; F393-I444 HydrophobicContact CD1-CG2 3.95Å; F393-I444 HydrophobicContact CG-CG2 4.48Å; F393-I444 WeakPolarHBondContact O-CA 2.99Å; F436-I444 HydrophobicContact CD1-CD1 4.18Å; F436-I444 HydrophobicContact CE1-CD1 4.14Å; F436-I444 HydrophobicContact CZ-CD1 4.42Å; S440-I444 WeakPolarHBondContact O-CB 3.43Å; S440-I444 VanDerWaalsContact O-CG1 3.27Å; S440-I444 WeakPolarHBondContact O-CG1 3.25Å; S440-I444 PolarHBondContact O-N 2.84Å; I441-I444 PolarHBondContact O-N 3.42Å; I444-Q446 VanDerWaalsContact C-N 3.3Å; I444-Q446 PolarHBondContact O-N 3.18Å; I444-V447 PolarHBondContact O-N 2.02Å; I444-V447 VanDerWaalsContact O-N 3.14Å; I444-L448 HydrophobicContact CG2-CD1 3.73Å; I444-L448 HydrophobicContact CG2-CG 4.1Å; I444-L448 WeakPolarHBondContact O-CG 3.4Å; I444-L448 PolarHBondContact O-N 3.25Å
445	S	97.1	Very high	95.3	Very high	2 Å²	2	50 Å²	50	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-43.2	178.4	-55.6	0	0	0	0	111.8	F266 M267 I441 N443 V447 L448 E449	F266-S445 WeakPolarHBondContact CA-OG 3.14Å; F266-S445 PolarHBondContact O-OG 2.79Å; M267-S445 WeakPolarHBondContact CG-OG 3.4Å; I441-S445 WeakPolarHBondContact O-CB 3.35Å; I441-S445 PolarHBondContact O-N 3.32Å; I441-S445 PolarHBondContact O-OG 3.1Å; N443-S445 PolarHBondContact O-N 3.17Å; S445-V447 PolarHBondContact O-N 3.47Å; S445-L448 PolarHBondContact O-N 3.01Å; S445-E449 WeakPolarHBondContact O-CG 3.42Å; S445-E449 PolarHBondContact O-N 2.95Å
446	Q	97.2	Very high	95.4	Very high	86 Å²	86	45.5 Å²	45.5	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-35.7	178.6	-67.3	174.6	12.9	0	0	113.1	P340 R442 N443 I444 K450	P340-Q446 HydrophobicContact CB-CB 4.41Å; R442-Q446 WeakPolarHBondContact O-CG 3.34Å; R442-Q446 PolarHBondContact O-N 3.36Å; N443-Q446 PolarHBondContact O-N 3.44Å; I444-Q446 VanDerWaalsContact C-N 3.3Å; I444-Q446 PolarHBondContact O-N 3.18Å; Q446-K450 WeakPolarHBondContact O-CG 3.29Å; Q446-K450 PolarHBondContact O-N 3.31Å
447	V	97.3	Very high	94.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-76.8	-36	176.1	-172.9	0	0	0	0	111.1	P340 I347 F393 N443 I444 S445 E449 K450 K451	P340-V447 HydrophobicContact CB-CG2 4.48Å; I347-V447 HydrophobicContact CD1-CG1 4.07Å; I347-V447 HydrophobicContact CG1-CG1 3.96Å; F393-V447 WeakPolarHBondContact O-CB 3.39Å; N443-V447 PolarHBondContact O-N 3.26Å; I444-V447 PolarHBondContact O-N 2.02Å; I444-V447 VanDerWaalsContact O-N 3.14Å; S445-V447 PolarHBondContact O-N 3.47Å; V447-E449 VanDerWaalsContact C-N 3.35Å; V447-E449 PolarHBondContact O-N 2.82Å; V447-K450 PolarHBondContact O-N 3.19Å; V447-K451 HydrophobicContact CG1-CB 4.21Å; V447-K451 HydrophobicContact CG1-CD 4.19Å; V447-K451 HydrophobicContact CG1-CG 4.16Å; V447-K451 PolarHBondContact O-N 2.78Å
448	L	96.4	Very high	94.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-38	172.7	-71.6	174	0	0	0	112.4	F266 I269 I272 I347 F393 I444 S445 K450 R452 F456	F266-L448 HydrophobicContact CB-CD1 3.89Å; F266-L448 HydrophobicContact CD1-CD1 4.46Å; F266-L448 HydrophobicContact CD2-CD1 4.1Å; F266-L448 HydrophobicContact CG-CD1 3.89Å; I269-L448 HydrophobicContact CD1-CB 3.74Å; I269-L448 HydrophobicContact CG2-CD1 4.4Å; I272-L448 HydrophobicContact CD1-CD1 4.15Å; I272-L448 HydrophobicContact CD1-CD2 4.13Å; I272-L448 HydrophobicContact CG1-CD1 4.11Å; I347-L448 HydrophobicContact CD1-CD2 4.1Å; F393-L448 HydrophobicContact CD1-CD2 3.93Å; F393-L448 HydrophobicContact CD1-CG 4.35Å; F393-L448 HydrophobicContact CE1-CD2 3.82Å; I444-L448 HydrophobicContact CG2-CD1 3.73Å; I444-L448 HydrophobicContact CG2-CG 4.1Å; I444-L448 WeakPolarHBondContact O-CG 3.4Å; I444-L448 PolarHBondContact O-N 3.25Å; S445-L448 PolarHBondContact O-N 3.01Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 2.73Å; L448-R452 HydrophobicContact CD2-CB 4.39Å; L448-R452 WeakPolarHBondContact O-CB 3.3Å; L448-R452 PolarHBondContact O-N 3.35Å; L448-F456 HydrophobicContact CD2-CE1 4.43Å; L448-F456 HydrophobicContact CD2-CZ 4.09Å
449	E	94.9	Very high	93	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-62.4	-30.4	173.5	-78	-177.9	-170.3	0	0	113.7	I269 S445 V447	I269-E449 HydrophobicContact CD1-CG 4.32Å; S445-E449 WeakPolarHBondContact O-CG 3.42Å; S445-E449 PolarHBondContact O-N 2.95Å; V447-E449 VanDerWaalsContact C-N 3.35Å; V447-E449 PolarHBondContact O-N 2.82Å
450	K	94.2	Very high	91.4	Very high	131 Å²	131	49 Å²	49	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-104	-38.4	-171.9	-60.2	-56.5	179.5	-169.6	0	114.9	P340 Q446 V447 L448	P340-K450 HydrophobicContact CB-CB 4.38Å; P340-K450 HydrophobicContact CB-CG 3.94Å; Q446-K450 WeakPolarHBondContact O-CG 3.29Å; Q446-K450 PolarHBondContact O-N 3.31Å; V447-K450 PolarHBondContact O-N 3.19Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 2.73Å
451	K	94.8	Very high	89.3	Confident	20 Å²	20	55.3 Å²	55.3	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-103	-27.8	-174.3	-68.5	-157.6	173.6	-169.7	0	114.5	A339 G345 I347 C348 E349 V447 G453 N454	A339-K451 VanDerWaalsContact O-CE 3.3Å; A339-K451 WeakPolarHBondContact O-CE 3.33Å; G345-K451 PolarHBondContact O-NZ 3Å; I347-K451 HydrophobicContact CD1-CB 4.27Å; I347-K451 HydrophobicContact CG1-CB 4.13Å; I347-K451 WeakPolarHBondContact O-CD 3.44Å; C348-K451 PolarHBondContact SG-O 3.06Å; E349-K451 IonicContact OE2-NZ 3.08Å; E349-K451 PolarHBondContact OE2-NZ 3.22Å; V447-K451 HydrophobicContact CG1-CB 4.21Å; V447-K451 HydrophobicContact CG1-CD 4.19Å; V447-K451 HydrophobicContact CG1-CG 4.16Å; V447-K451 PolarHBondContact O-N 2.78Å; K451-G453 VanDerWaalsContact C-N 3.32Å; K451-G453 PolarHBondContact O-N 3.2Å; K451-N454 VanDerWaalsContact O-CB 3.28Å; K451-N454 WeakPolarHBondContact O-CB 3.5Å; K451-N454 PolarHBondContact O-N 2.91Å
452	R	93.1	Very high	87.4	Confident	38 Å²	38	56.6 Å²	56.6	14%	0.143	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-50.2	-48.1	-173.9	-175.6	171.3	67.9	125.6	-20.3	113.5	E222 K223 L448 N454 C455 F456	E222-R452 VanDerWaalsContact CG-NH1 3.27Å; E222-R452 IonicContact OE1-CZ 3.23Å; E222-R452 IonicContact OE1-NH1 2.74Å; E222-R452 PolarHBondContact OE1-NH1 3.09Å; E222-R452 IonicContact OE1-NH2 2.78Å; E222-R452 PolarHBondContact OE1-NH2 3.14Å; K223-R452 VanDerWaalsContact O-CD 3.25Å; K223-R452 WeakPolarHBondContact O-CD 3.22Å; K223-R452 WeakPolarHBondContact O-CG 3.36Å; K223-R452 PolarHBondContact O-NH1 2.83Å; L448-R452 HydrophobicContact CD2-CB 4.39Å; L448-R452 WeakPolarHBondContact O-CB 3.3Å; L448-R452 PolarHBondContact O-N 3.35Å; R452-N454 PolarHBondContact O-N 2.97Å; R452-C455 PolarHBondContact O-N 3.42Å; R452-F456 HydrophobicContact CB-CD2 4.3Å; R452-F456 HydrophobicContact CB-CG 4.45Å; R452-F456 HydrophobicContact CG-CB 3.88Å; R452-F456 HydrophobicContact CG-CD1 3.69Å; R452-F456 HydrophobicContact CG-CD2 3.86Å; R452-F456 HydrophobicContact CG-CE1 4.12Å; R452-F456 HydrophobicContact CG-CE2 4.28Å; R452-F456 HydrophobicContact CG-CG 3.54Å; R452-F456 HydrophobicContact CG-CZ 4.4Å; R452-F456 WeakPolarHBondContact O-CB 3.49Å; R452-F456 WeakPolarHBondContact O-CD2 3.45Å; R452-F456 PolarHBondContact O-N 2.65Å
453	G	90.6	Very high	85.8	Confident	60 Å²	60	53.7 Å²	53.7	62%	0.619	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61	-15.4	-177.9	0	0	0	0	0	115.3	K451	K451-G453 VanDerWaalsContact C-N 3.32Å; K451-G453 PolarHBondContact O-N 3.2Å
454	N	92.3	Very high	84.3	Confident	115 Å²	115	53 Å²	53	62%	0.615	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-81.8	-26.1	-175.6	-58.3	-18.7	0	0	0	113.4	C348 K451 R452	C348-N454 HydrophobicContact CB-CB 4.03Å; K451-N454 VanDerWaalsContact O-CB 3.28Å; K451-N454 WeakPolarHBondContact O-CB 3.5Å; K451-N454 PolarHBondContact O-N 2.91Å; R452-N454 PolarHBondContact O-N 2.97Å
455	C	91.3	Very high	82.6	Confident	32 Å²	32	53.1 Å²	53.1	22%	0.216	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.2	-9.8	-174.7	80.2	0	0	0	0	116.5	C317 C348 R452	C317-C455 WeakPolarHBondContact CA-SG 3.35Å; C348-C455 WeakPolarHBondContact CA-SG 3.38Å; C348-C455 HydrophobicContact CB-CB 3.63Å; C348-C455 WeakPolarHBondContact CB-SG 2.97Å; C348-C455 WeakPolarHBondContact SG-CB 3.45Å; C348-C455 PolarHBondContact SG-N 3.1Å; C348-C455 CovalentContact SG-SG 2.02Å; C348-C455 PolarHBondContact SG-SG 3.41Å; R452-C455 PolarHBondContact O-N 3.42Å
456	F	93.1	Very high	80.6	Confident	3 Å²	3	54 Å²	54	1%	0.013	30%	0.3	C	S	.	.			trans	-71.7	151.3	178.4	-80.1	-128.7	0	0	0	111.2	K223 T225 C226 I272 C317 I347 F393 L448 R452	K223-F456 HydrophobicContact CB-CB 4.08Å; K223-F456 WeakPolarHBondContact CD-O 3.34Å; T225-F456 VanDerWaalsContact C-CD1 3.46Å; T225-F456 WeakPolarHBondContact O-CA 3.3Å; T225-F456 WeakPolarHBondContact O-CB 3.46Å; T225-F456 WeakPolarHBondContact O-CD1 3.49Å; C226-F456 HydrophobicContact CB-CD1 4.34Å; C226-F456 HydrophobicContact CB-CE1 3.79Å; C226-F456 HydrophobicContact CB-CE2 4.25Å; C226-F456 HydrophobicContact CB-CZ 3.74Å; I272-F456 HydrophobicContact CD1-CE1 4.34Å; C317-F456 WeakPolarHBondContact SG-CE2 3.4Å; I347-F456 HydrophobicContact CB-CE2 4.43Å; I347-F456 HydrophobicContact CD1-CE2 3.96Å; I347-F456 HydrophobicContact CD1-CZ 4.24Å; F393-F456 HydrophobicContact CE1-CZ 4.05Å; F393-F456 AromaticContact CZ-CZ 3.93Å; F393-F456 HydrophobicContact CZ-CZ 3.93Å; L448-F456 HydrophobicContact CD2-CE1 4.43Å; L448-F456 HydrophobicContact CD2-CZ 4.09Å; R452-F456 HydrophobicContact CB-CD2 4.3Å; R452-F456 HydrophobicContact CB-CG 4.45Å; R452-F456 HydrophobicContact CG-CB 3.88Å; R452-F456 HydrophobicContact CG-CD1 3.69Å; R452-F456 HydrophobicContact CG-CD2 3.86Å; R452-F456 HydrophobicContact CG-CE1 4.12Å; R452-F456 HydrophobicContact CG-CE2 4.28Å; R452-F456 HydrophobicContact CG-CG 3.54Å; R452-F456 HydrophobicContact CG-CZ 4.4Å; R452-F456 WeakPolarHBondContact O-CB 3.49Å; R452-F456 WeakPolarHBondContact O-CD2 3.45Å; R452-F456 PolarHBondContact O-N 2.65Å
457	V	86.3	Confident	78.9	Confident	39 Å²	39	49.9 Å²	49.9	24%	0.236	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-109.6	165.7	174.5	-59.8	0	0	0	0	110.5	K223 N224 T225 Q227 M275	K223-V457 CarbonylContact C-O 3.55Å; K223-V457 VanDerWaalsContact CA-O 3.32Å; K223-V457 WeakPolarHBondContact CA-O 3.03Å; N224-V457 PolarHBondContact N-O 3.45Å; T225-V457 HydrophobicContact CG2-CG2 3.85Å; T225-V457 PolarHBondContact N-O 3.43Å; T225-V457 PolarHBondContact O-N 3.49Å; Q227-V457 HydrophobicContact CG-CG1 4Å; Q227-V457 HydrophobicContact CG-CG2 3.71Å; M275-V457 HydrophobicContact SD-CG2 4.19Å
458	E	82.7	Confident	77.1	Confident	103 Å²	103	51.1 Å²	51.1	48%	0.481	29%	0.288	S	S	.	.			trans	-67.5	135.7	173.6	-62.6	168.2	-157.9	0	0	108.9	V221 K223	V221-E458 HydrophobicContact CB-CG 3.99Å; V221-E458 HydrophobicContact CG1-CB 4.01Å; V221-E458 HydrophobicContact CG1-CG 3.7Å; V221-E458 WeakPolarHBondContact CG1-OE2 3.19Å; K223-E458 HydrophobicContact CG-CG 4.01Å
459	S	69.3	Low	75.9	Confident	24 Å²	24	53.4 Å²	53.4	17%	0.168	30%	0.302	C	S	.	.			trans	-69	145.7	177.4	-68.8	0	0	0	0	112.2	N224 T225 Q461	N224-S459 PolarHBondContact ND2-OG 2.94Å; N224-S459 PolarHBondContact OD1-OG 2.93Å; T225-S459 WeakPolarHBondContact OG1-CA 3.4Å; T225-S459 WeakPolarHBondContact OG1-CB 3.48Å; T225-S459 PolarHBondContact OG1-OG 2.91Å; S459-Q461 VanDerWaalsContact C-N 3.34Å; S459-Q461 PolarHBondContact O-N 3.42Å
460	G	61.8	Low	74.7	Confident	53 Å²	53	50 Å²	50	55%	0.546	29%	0.286	S	S	.	.			trans	-63.6	97.9	155.1	0	0	0	0	0	108.7
461	Q	53.6	Low	73.5	Confident	133 Å²	133	49.6 Å²	49.6	62%	0.621	30%	0.297	S	S	*	.			trans	-66.9	162.4	-179.8	-67.1	-162.9	-7.2	0	0	111.8	S459 I463	S459-Q461 VanDerWaalsContact C-N 3.34Å; S459-Q461 PolarHBondContact O-N 3.42Å; Q461-I463 WeakPolarHBondContact O-CG1 3.39Å; Q461-I463 PolarHBondContact O-N 3.06Å
462	P	57.7	Low	72.5	Confident	64 Å²	64	52.3 Å²	52.3	42%	0.416	33%	0.331	S	S	.	.			trans	-38.4	124.6	171.6	-37.1	39.5	0	0	0	113.6	C464 E470	P462-C464 PolarHBondContact O-N 3.19Å; P462-E470 VanDerWaalsContact CA-OE2 3.25Å; P462-E470 WeakPolarHBondContact CA-OE2 3.24Å; P462-E470 HydrophobicContact CB-CB 3.78Å; P462-E470 HydrophobicContact CG-CB 4.33Å
463	I	63.4	Low	72.1	Confident	62 Å²	62	52 Å²	52	32%	0.318	33%	0.33	S	S	.	.			trans	-102.6	75.1	-165.2	-48.8	179.6	0	0	0	109.6	T84 Q461 G465 N466 E470	T84-I463 HydrophobicContact CG2-CD1 4.09Å; Q461-I463 WeakPolarHBondContact O-CG1 3.39Å; Q461-I463 PolarHBondContact O-N 3.06Å; I463-G465 PolarHBondContact O-N 3.11Å; I463-N466 HydrophobicContact CB-CB 4.38Å; I463-N466 WeakPolarHBondContact O-CB 3.41Å; I463-N466 VanDerWaalsContact O-CG 3.29Å; I463-N466 PolarHBondContact O-N 3.42Å; I463-N466 PolarHBondContact O-ND2 3.04Å; I463-E470 PolarHBondContact N-OE2 2.03Å
464	C	65.7	Low	72.1	Confident	13 Å²	13	53.1 Å²	53.1	9%	0.088	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45	124.2	169.4	170.7	0	0	0	0	111.1	P462 E473 A491 K498 C499	P462-C464 PolarHBondContact O-N 3.19Å; C464-E473 WeakPolarHBondContact CA-OE1 3.09Å; C464-E473 VanDerWaalsContact CB-OE1 3.25Å; C464-E473 WeakPolarHBondContact CB-OE1 3.28Å; C464-E473 PolarHBondContact N-OE1 3.18Å; C464-A491 WeakPolarHBondContact O-CB 3.29Å; C464-K498 HydrophobicContact CB-CD 4.3Å; C464-K498 HydrophobicContact CB-CG 4.36Å; C464-K498 VanDerWaalsContact SG-CG 3.57Å; C464-C499 WeakPolarHBondContact CA-SG 3.5Å; C464-C499 HydrophobicContact CB-CB 3.77Å; C464-C499 WeakPolarHBondContact CB-SG 3.15Å; C464-C499 WeakPolarHBondContact SG-CB 3.34Å; C464-C499 PolarHBondContact SG-N 3.3Å; C464-C499 CovalentContact SG-SG 2.03Å; C464-C499 PolarHBondContact SG-SG 2.96Å
465	G	60.9	Low	71.9	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.2	6.9	-166.6	0	0	0	0	0	113.5	H59 I463 D476 Y479	H59-G465 PolarHBondContact CD2-O 2.97Å; H59-G465 PolarHBondContact NE2-O 2.03Å; I463-G465 PolarHBondContact O-N 3.11Å; G465-D476 WeakPolarHBondContact CA-OD1 3.49Å; G465-D476 WeakPolarHBondContact CA-OD2 3.49Å; G465-D476 VanDerWaalsContact N-CG 3.33Å; G465-D476 PolarHBondContact N-OD1 3.49Å; G465-D476 PolarHBondContact N-OD2 2.63Å; G465-Y479 VanDerWaalsContact O-CE2 3.28Å; G465-Y479 WeakPolarHBondContact O-CE2 3.34Å
466	N	55.9	Low	71.3	Confident	20 Å²	20	46.1 Å²	46.1	11%	0.107	28%	0.28	C	S	.	.	S	Bend	trans	-97.4	-11.5	175.6	85.5	55.6	0	0	0	114.9	H59 K80 I463 L468 E470 D476	H59-N466 PolarHBondContact CE1-O 3.41Å; H59-N466 PolarHBondContact NE2-O 3.08Å; H59-N466 VanDerWaalsContact NE2-O 3.08Å; K80-N466 WeakPolarHBondContact CD-O 3.42Å; K80-N466 VanDerWaalsContact NZ-C 3.33Å; K80-N466 PolarHBondContact NZ-O 2.72Å; I463-N466 HydrophobicContact CB-CB 4.38Å; I463-N466 WeakPolarHBondContact O-CB 3.41Å; I463-N466 VanDerWaalsContact O-CG 3.29Å; I463-N466 PolarHBondContact O-N 3.42Å; I463-N466 PolarHBondContact O-ND2 3.04Å; N466-L468 VanDerWaalsContact C-N 3.3Å; N466-L468 PolarHBondContact O-N 3.46Å; N466-L468 WeakPolarHBondContact OD1-CB 3.31Å; N466-L468 PolarHBondContact OD1-N 3.31Å; N466-E470 PolarHBondContact ND2-OE2 2.84Å; N466-D476 PolarHBondContact N-OD2 2.53Å
467	G	61.2	Low	70.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	77.8	-0.8	171.2	0	0	0	0	0	116.1	R78 D476	R78-G467 PolarHBondContact NH1-O 3.44Å; R78-G467 PolarHBondContact NH2-O 3.38Å; G467-D476 VanDerWaalsContact CA-CG 3.47Å; G467-D476 WeakPolarHBondContact CA-O 3.48Å; G467-D476 PolarHBondContact N-OD1 3.45Å; G467-D476 PolarHBondContact N-OD2 3.32Å
468	L	60.6	Low	69.4	Low	26 Å²	26	44.9 Å²	44.9	14%	0.136	27%	0.274	C	S	.	.	S	Bend	trans	-93.2	143.8	162.1	-59.7	172.5	0	0	0	106.9	F63 E110 N466 E470	F63-L468 HydrophobicContact CE1-CD2 3.7Å; F63-L468 HydrophobicContact CE1-CG 3.99Å; F63-L468 HydrophobicContact CZ-CD2 4.3Å; F63-L468 HydrophobicContact CZ-CG 4.42Å; E110-L468 HydrophobicContact CG-CD2 4.38Å; N466-L468 VanDerWaalsContact C-N 3.3Å; N466-L468 PolarHBondContact O-N 3.46Å; N466-L468 WeakPolarHBondContact OD1-CB 3.31Å; N466-L468 PolarHBondContact OD1-N 3.31Å; L468-E470 PolarHBondContact O-N 3.07Å
469	V	70.9	Confident	68.6	Low	51 Å²	51	44 Å²	44	31%	0.309	27%	0.266	S	S	.	.			trans	-87.9	98.1	-177.9	-173.4	0	0	0	0	109.1	E473 S510 Q511	V469-E473 HydrophobicContact CG1-CB 4.23Å; V469-S510 WeakPolarHBondContact CG2-OG 3.18Å; V469-Q511 HydrophobicContact CG2-CG 4.32Å
470	E	70	Confident	68.7	Low	60 Å²	60	46.4 Å²	46.4	28%	0.28	28%	0.283	S	S	.	.			trans	-89.2	165.8	-172.5	-69.2	-164	109.9	0	0	113.4	P462 I463 N466 L468 G472 E473	P462-E470 VanDerWaalsContact CA-OE2 3.25Å; P462-E470 WeakPolarHBondContact CA-OE2 3.24Å; P462-E470 HydrophobicContact CB-CB 3.78Å; P462-E470 HydrophobicContact CG-CB 4.33Å; I463-E470 PolarHBondContact N-OE2 2.03Å; N466-E470 PolarHBondContact ND2-OE2 2.84Å; L468-E470 PolarHBondContact O-N 3.07Å; E470-G472 PolarHBondContact O-N 3.41Å; E470-E473 PolarHBondContact N-OE2 3.45Å; E470-E473 PolarHBondContact O-N 3.26Å
471	P	67.4	Low	68.5	Low	122 Å²	122	49 Å²	49	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	101.1	-177.9	-25.6	36.6	0	0	0	113.7
472	G	74.9	Confident	68.5	Low	77 Å²	77	43.3 Å²	43.3	79%	0.794	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.8	-12.7	-176.9	0	0	0	0	0	113.4	E470	E470-G472 PolarHBondContact O-N 3.41Å
473	E	84.4	Confident	69.4	Low	30 Å²	30	41.4 Å²	41.4	14%	0.14	25%	0.246	C	C	.	.			trans	-103.2	153.1	-178.5	-62.3	168.8	169.5	0	0	111.1	C464 V469 E470 C499	C464-E473 WeakPolarHBondContact CA-OE1 3.09Å; C464-E473 VanDerWaalsContact CB-OE1 3.25Å; C464-E473 WeakPolarHBondContact CB-OE1 3.28Å; C464-E473 PolarHBondContact N-OE1 3.18Å; V469-E473 HydrophobicContact CG1-CB 4.23Å; E470-E473 PolarHBondContact N-OE2 3.45Å; E470-E473 PolarHBondContact O-N 3.26Å; E473-C499 HydrophobicContact CB-CB 4.08Å; E473-C499 HydrophobicContact CG-CB 3.78Å
474	E	91.1	Very high	70.1	Confident	84 Å²	84	47 Å²	47	39%	0.393	26%	0.263	S	S	.	.	S	Bend	trans	-95.5	-30.9	172.2	-52.4	168.2	-173.3	0	0	110.5	C499 K500 L501 Q511	E474-C499 PolarHBondContact N-O 3.47Å; E474-K500 HydrophobicContact CG-CB 4.4Å; E474-K500 HydrophobicContact CG-CG 4.18Å; E474-K500 WeakPolarHBondContact OE2-CB 3.28Å; E474-L501 HydrophobicContact CB-CG 4.21Å; E474-L501 PolarHBondContact OE2-N 3.04Å; E474-Q511 WeakPolarHBondContact O-CG 3.39Å; E474-Q511 PolarHBondContact O-NE2 2.95Å
475	C	86.8	Confident	70.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.			trans	-162.1	161.6	-178.7	57	0	0	0	0	109.4	C488 C499 K500 L501 Q511	C475-C488 HydrophobicContact CB-CB 3.71Å; C475-C488 WeakPolarHBondContact CB-SG 3.46Å; C475-C488 PolarHBondContact O-SG 3.19Å; C475-C488 WeakPolarHBondContact SG-CA 3.35Å; C475-C488 WeakPolarHBondContact SG-CB 3.38Å; C475-C488 CovalentContact SG-SG 2.03Å; C475-C488 PolarHBondContact SG-SG 3.3Å; C475-C499 PolarHBondContact N-O 2.97Å; C475-C499 CarbonylContact O-C 3.55Å; C475-C499 WeakPolarHBondContact O-CA 3.18Å; C475-C499 WeakPolarHBondContact O-CB 3.14Å; C475-C499 VanDerWaalsContact O-O 3.08Å; C475-K500 PolarHBondContact SG-O 3.08Å; C475-K500 VanDerWaalsContact SG-O 3.32Å; C475-L501 HydrophobicContact CB-CD2 4.07Å; C475-Q511 HydrophobicContact CB-CG 4.42Å
476	D	79.2	Confident	72.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.294	C	S	.	.			trans	-147.2	121.4	169.8	-170.6	-12.3	0	0	0	110.5	G465 N466 G467 G478 C499 S510	G465-D476 WeakPolarHBondContact CA-OD1 3.49Å; G465-D476 WeakPolarHBondContact CA-OD2 3.49Å; G465-D476 VanDerWaalsContact N-CG 3.33Å; G465-D476 PolarHBondContact N-OD1 3.49Å; G465-D476 PolarHBondContact N-OD2 2.63Å; N466-D476 PolarHBondContact N-OD2 2.53Å; G467-D476 VanDerWaalsContact CA-CG 3.47Å; G467-D476 WeakPolarHBondContact CA-O 3.48Å; G467-D476 PolarHBondContact N-OD1 3.45Å; G467-D476 PolarHBondContact N-OD2 3.32Å; D476-G478 PolarHBondContact OD1-N 3.11Å; D476-C499 VanDerWaalsContact CG-SG 3.51Å; D476-S510 PolarHBondContact N-OG 3.05Å; D476-S510 WeakPolarHBondContact O-CB 3.33Å; D476-S510 PolarHBondContact O-OG 2.88Å
477	C	76.4	Confident	74.1	Confident	16 Å²	16	52.2 Å²	52.2	11%	0.108	29%	0.289	C	S	.	.			trans	-110.6	4.8	179.7	59.2	0	0	0	0	113.7	C483 D485 C488	C477-C483 HydrophobicContact CB-CB 3.81Å; C477-C483 WeakPolarHBondContact CB-SG 3.02Å; C477-C483 WeakPolarHBondContact O-CA 3.04Å; C477-C483 WeakPolarHBondContact SG-CB 3.48Å; C477-C483 CovalentContact SG-SG 2.03Å; C477-C483 PolarHBondContact SG-SG 2.95Å; C477-D485 HydrophobicContact CB-CB 3.54Å; C477-C488 HydrophobicContact CB-CB 4.09Å
478	G	64.3	Low	75.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.			trans	89	-168.8	-168.8	0	0	0	0	0	113.6	D476 D490 A491	D476-G478 PolarHBondContact OD1-N 3.11Å; G478-D490 WeakPolarHBondContact O-CA 3.47Å; G478-A491 PolarHBondContact O-N 2.97Å
479	Y	64.9	Low	77.2	Confident	84 Å²	84	53.1 Å²	53.1	33%	0.329	29%	0.29	S	S	.	.	S	Bend	trans	-81.4	171.9	175.7	-57.6	-98.3	0	0	0	111.3	G465 D481 Q482 C483 A491 N492	G465-Y479 VanDerWaalsContact O-CE2 3.28Å; G465-Y479 WeakPolarHBondContact O-CE2 3.34Å; Y479-D481 VanDerWaalsContact C-N 3.25Å; Y479-D481 WeakPolarHBondContact CB-OD1 3.37Å; Y479-D481 PolarHBondContact O-N 2.82Å; Y479-D481 VanDerWaalsContact O-N 3.16Å; Y479-Q482 CarbonylContact O-C 3.57Å; Y479-Q482 WeakPolarHBondContact O-CA 3.32Å; Y479-Q482 PolarHBondContact O-N 2.94Å; Y479-C483 PolarHBondContact O-N 3.3Å; Y479-A491 HydrophobicContact CD1-CB 3.52Å; Y479-A491 HydrophobicContact CD2-CB 4.39Å; Y479-A491 HydrophobicContact CE1-CB 3.75Å; Y479-A491 HydrophobicContact CG-CB 3.87Å; Y479-N492 WeakPolarHBondContact CB-OD1 3.23Å
480	S	72.5	Confident	77.9	Confident	74 Å²	74	51.4 Å²	51.4	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.5	-169.8	60.4	0	0	0	0	115.4	Q482 D490 N492	S480-Q482 PolarHBondContact O-N 3.22Å; S480-D490 WeakPolarHBondContact CB-OD1 3.23Å; S480-N492 VanDerWaalsContact CB-OD1 3.29Å; S480-N492 WeakPolarHBondContact CB-OD1 3.06Å; S480-N492 PolarHBondContact N-OD1 3.05Å; S480-N492 PolarHBondContact OG-OD1 3.45Å
481	D	57	Low	78	Confident	109 Å²	109	49.2 Å²	49.2	58%	0.583	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.4	174.4	64.4	-46.2	0	0	0	113.4	Y479	Y479-D481 VanDerWaalsContact C-N 3.25Å; Y479-D481 WeakPolarHBondContact CB-OD1 3.37Å; Y479-D481 PolarHBondContact O-N 2.82Å; Y479-D481 VanDerWaalsContact O-N 3.16Å
482	Q	54.2	Low	78.7	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.056	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-26.3	-170.5	-59.7	153.3	94.4	0	0	113.9	I57 H59 Y479 S480 R484	I57-Q482 PolarHBondContact O-OE1 2.67Å; H59-Q482 HydrophobicContact CB-CB 3.44Å; H59-Q482 VanDerWaalsContact CB-CB 3.44Å; H59-Q482 HydrophobicContact CB-CG 3.79Å; H59-Q482 PolarHBondContact CD2-OE1 3.02Å; Y479-Q482 CarbonylContact O-C 3.57Å; Y479-Q482 WeakPolarHBondContact O-CA 3.32Å; Y479-Q482 PolarHBondContact O-N 2.94Å; S480-Q482 PolarHBondContact O-N 3.22Å; Q482-R484 VanDerWaalsContact C-N 3.34Å; Q482-R484 PolarHBondContact O-N 3.07Å
483	C	75	Confident	79.3	Confident	25 Å²	25	47.3 Å²	47.3	17%	0.169	23%	0.234	C	C	.	.			trans	-69.2	83.8	-176.2	-176.4	0	0	0	0	112.1	C477 Y479 D485 D490	C477-C483 HydrophobicContact CB-CB 3.81Å; C477-C483 WeakPolarHBondContact CB-SG 3.02Å; C477-C483 WeakPolarHBondContact O-CA 3.04Å; C477-C483 WeakPolarHBondContact SG-CB 3.48Å; C477-C483 CovalentContact SG-SG 2.03Å; C477-C483 PolarHBondContact SG-SG 2.95Å; Y479-C483 PolarHBondContact O-N 3.3Å; C483-D485 PolarHBondContact O-N 2.86Å; C483-D490 HydrophobicContact CB-CB 3.67Å
484	R	79.1	Confident	79.3	Confident	178 Å²	178	49.7 Å²	49.7	67%	0.672	25%	0.252	S	S	*	.			trans	-71.3	-11.2	169.4	-69.1	175.4	175.8	175.7	-3.3	112.9	E60 Q482 L486	E60-R484 WeakPolarHBondContact OE1-CD 3.32Å; E60-R484 IonicContact OE2-CZ 2.81Å; E60-R484 IonicContact OE2-NE 3.13Å; E60-R484 IonicContact OE2-NH1 3.87Å; E60-R484 PolarHBondContact OE2-NH1 2.98Å; Q482-R484 VanDerWaalsContact C-N 3.34Å; Q482-R484 PolarHBondContact O-N 3.07Å; R484-L486 PolarHBondContact O-N 3.48Å
485	D	82.2	Confident	78.5	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.118	27%	0.266	C	S	.	.			trans	-71.4	117.3	-176.7	-173.9	14.4	0	0	0	112.5	C477 C483 C487 C488 K502 S508	C477-D485 HydrophobicContact CB-CB 3.54Å; C483-D485 PolarHBondContact O-N 2.86Å; D485-C487 PolarHBondContact O-N 2.77Å; D485-C487 WeakPolarHBondContact OD1-CA 3.41Å; D485-C487 WeakPolarHBondContact OD1-CB 3.4Å; D485-C487 PolarHBondContact OD1-N 2.88Å; D485-C487 PolarHBondContact OD1-SG 3.32Å; D485-C488 HydrophobicContact CB-CB 4.44Å; D485-C488 WeakPolarHBondContact OD2-CB 3.4Å; D485-C488 PolarHBondContact OD2-N 3.17Å; D485-K502 PolarHBondContact O-NZ 3.09Å; D485-S508 WeakPolarHBondContact OD2-CB 3.29Å; D485-S508 PolarHBondContact OD2-OG 3Å
486	L	89.7	Confident	78.4	Confident	125 Å²	125	57 Å²	57	65%	0.654	30%	0.295	S	S	*	.	S	Bend	trans	-72.3	-8	173.7	-60.2	-178.8	0	0	0	112.6	R484 K502	R484-L486 PolarHBondContact O-N 3.48Å; L486-K502 WeakPolarHBondContact O-CD 3.33Å
487	C	94.7	Very high	78.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-99.7	-41.2	-173.5	-45	0	0	0	0	114	D485 K502 C507 C519	D485-C487 PolarHBondContact O-N 2.77Å; D485-C487 WeakPolarHBondContact OD1-CA 3.41Å; D485-C487 WeakPolarHBondContact OD1-CB 3.4Å; D485-C487 PolarHBondContact OD1-N 2.88Å; D485-C487 PolarHBondContact OD1-SG 3.32Å; C487-K502 WeakPolarHBondContact O-CB 3.36Å; C487-K502 PolarHBondContact O-N 3.17Å; C487-C507 WeakPolarHBondContact CB-O 3.44Å; C487-C519 WeakPolarHBondContact CA-SG 3.43Å; C487-C519 HydrophobicContact CB-CB 3.64Å; C487-C519 WeakPolarHBondContact CB-SG 3.45Å; C487-C519 PolarHBondContact N-SG 3.02Å; C487-C519 VanDerWaalsContact N-SG 3.43Å; C487-C519 WeakPolarHBondContact SG-CA 3.35Å; C487-C519 WeakPolarHBondContact SG-CB 3.46Å; C487-C519 CovalentContact SG-SG 2.01Å; C487-C519 PolarHBondContact SG-SG 3.31Å
488	C	93.5	Very high	79.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-96.7	147.8	-177.1	-160.3	0	0	0	0	113.5	C475 C477 D485 K502	C475-C488 HydrophobicContact CB-CB 3.71Å; C475-C488 WeakPolarHBondContact CB-SG 3.46Å; C475-C488 PolarHBondContact O-SG 3.19Å; C475-C488 WeakPolarHBondContact SG-CA 3.35Å; C475-C488 WeakPolarHBondContact SG-CB 3.38Å; C475-C488 CovalentContact SG-SG 2.03Å; C475-C488 PolarHBondContact SG-SG 3.3Å; C477-C488 HydrophobicContact CB-CB 4.09Å; D485-C488 HydrophobicContact CB-CB 4.44Å; D485-C488 WeakPolarHBondContact OD2-CB 3.4Å; D485-C488 PolarHBondContact OD2-N 3.17Å; C488-K502 WeakPolarHBondContact O-CE 3.36Å; C488-K502 PolarHBondContact O-NZ 3.11Å
489	Y	93.3	Very high	80.3	Confident	45 Å²	45	63.8 Å²	63.8	18%	0.176	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-77.6	130.7	163.7	-81.7	-62.3	0	0	0	110.7	Q493 K497 C499 K500 K502 P503	Y489-Q493 HydrophobicContact CD1-CG 4.01Å; Y489-Q493 HydrophobicContact CG-CG 4.41Å; Y489-K497 WeakPolarHBondContact CB-O 3.29Å; Y489-K497 HydrophobicContact CD2-CB 4.16Å; Y489-K497 HydrophobicContact CD2-CG 4.49Å; Y489-K497 HydrophobicContact CE1-CD 4.35Å; Y489-K497 HydrophobicContact CE2-CB 4.41Å; Y489-K497 HydrophobicContact CE2-CD 4.31Å; Y489-K497 HydrophobicContact CE2-CG 4.25Å; Y489-K497 HydrophobicContact CG-CB 4.33Å; Y489-C499 PolarHBondContact O-N 3.49Å; Y489-C499 VanDerWaalsContact O-N 3.09Å; Y489-K500 WeakPolarHBondContact CB-O 3.23Å; Y489-K500 PolarHBondContact N-O 3.48Å; Y489-K502 HydrophobicContact CD1-CG 3.98Å; Y489-K502 HydrophobicContact CD2-CG 4.12Å; Y489-K502 HydrophobicContact CE1-CG 4Å; Y489-K502 HydrophobicContact CE2-CG 4.16Å; Y489-K502 HydrophobicContact CG-CG 4.04Å; Y489-P503 WeakPolarHBondContact OH-CD 3.45Å
490	D	85.1	Confident	81.7	Confident	16 Å²	16	63.1 Å²	63.1	9%	0.086	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67	164.5	179.6	68.7	88	0	0	0	113.6	G478 S480 C483 N492 Q493	G478-D490 WeakPolarHBondContact O-CA 3.47Å; S480-D490 WeakPolarHBondContact CB-OD1 3.23Å; C483-D490 HydrophobicContact CB-CB 3.67Å; D490-N492 VanDerWaalsContact C-N 3.29Å; D490-N492 PolarHBondContact O-N 3.15Å; D490-N492 WeakPolarHBondContact OD1-CA 3.19Å; D490-N492 WeakPolarHBondContact OD1-CB 3.46Å; D490-N492 PolarHBondContact OD1-N 3.29Å; D490-Q493 WeakPolarHBondContact O-CB 3.36Å; D490-Q493 VanDerWaalsContact O-CG 3.26Å; D490-Q493 WeakPolarHBondContact O-CG 3.45Å; D490-Q493 PolarHBondContact O-N 2.9Å; D490-Q493 PolarHBondContact OD1-N 3.27Å; D490-Q493 WeakPolarHBondContact OD2-CG 3.35Å; D490-Q493 PolarHBondContact OD2-NE2 2.94Å
491	A	73.4	Confident	82.8	Confident	13 Å²	13	61.2 Å²	61.2	11%	0.107	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.3	-176.7	0	0	0	0	0	116.3	C464 G478 Y479	C464-A491 WeakPolarHBondContact O-CB 3.29Å; G478-A491 PolarHBondContact O-N 2.97Å; Y479-A491 HydrophobicContact CD1-CB 3.52Å; Y479-A491 HydrophobicContact CD2-CB 4.39Å; Y479-A491 HydrophobicContact CE1-CB 3.75Å; Y479-A491 HydrophobicContact CG-CB 3.87Å
492	N	81.7	Confident	84.5	Confident	94 Å²	94	58.7 Å²	58.7	50%	0.503	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.6	168.8	-60.4	116.7	0	0	0	112.9	Y479 S480 D490	Y479-N492 WeakPolarHBondContact CB-OD1 3.23Å; S480-N492 VanDerWaalsContact CB-OD1 3.29Å; S480-N492 WeakPolarHBondContact CB-OD1 3.06Å; S480-N492 PolarHBondContact N-OD1 3.05Å; S480-N492 PolarHBondContact OG-OD1 3.45Å; D490-N492 VanDerWaalsContact C-N 3.29Å; D490-N492 PolarHBondContact O-N 3.15Å; D490-N492 WeakPolarHBondContact OD1-CA 3.19Å; D490-N492 WeakPolarHBondContact OD1-CB 3.46Å; D490-N492 PolarHBondContact OD1-N 3.29Å
493	Q	87.8	Confident	86.4	Confident	65 Å²	65	62.4 Å²	62.4	30%	0.304	31%	0.314	S	S	.	.	S	Bend	trans	-66.9	159.6	173.9	-59.8	-59.9	-38.6	0	0	111.5	Y489 D490 K497 K498	Y489-Q493 HydrophobicContact CD1-CG 4.01Å; Y489-Q493 HydrophobicContact CG-CG 4.41Å; D490-Q493 WeakPolarHBondContact O-CB 3.36Å; D490-Q493 VanDerWaalsContact O-CG 3.26Å; D490-Q493 WeakPolarHBondContact O-CG 3.45Å; D490-Q493 PolarHBondContact O-N 2.9Å; D490-Q493 PolarHBondContact OD1-N 3.27Å; D490-Q493 WeakPolarHBondContact OD2-CG 3.35Å; D490-Q493 PolarHBondContact OD2-NE2 2.94Å; Q493-K497 HydrophobicContact CB-CB 4.11Å; Q493-K498 HydrophobicContact CB-CB 4.23Å
494	P	84.5	Confident	87.1	Confident	80 Å²	80	69.3 Å²	69.3	52%	0.519	35%	0.349	S	S	.	.			trans	-61.6	156.3	174.6	-21.4	33.5	0	0	0	112.4	N496 K497 K498	P494-N496 PolarHBondContact O-N 2.86Å; P494-K497 PolarHBondContact O-N 2.69Å; P494-K498 PolarHBondContact O-N 2.89Å
495	D	74.1	Confident	87.8	Confident	126 Å²	126	64.3 Å²	64.3	67%	0.674	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.1	-173.6	-62.4	-53.9	0	0	0	115.2	K497 K498	D495-K497 VanDerWaalsContact C-N 3.3Å; D495-K498 VanDerWaalsContact OD1-CE 3.25Å; D495-K498 WeakPolarHBondContact OD1-CE 3.13Å; D495-K498 IonicContact OD1-NZ 2.65Å; D495-K498 PolarHBondContact OD1-NZ 3.23Å
496	N	84.7	Confident	88.4	Confident	113 Å²	113	66.9 Å²	66.9	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.9	176	66.6	-7.7	0	0	0	113.9	P494 K500	P494-N496 PolarHBondContact O-N 2.86Å; N496-K500 WeakPolarHBondContact O-CD 3.49Å; N496-K500 PolarHBondContact O-NZ 2.75Å
497	K	88.9	Confident	88.5	Confident	86 Å²	86	60.9 Å²	60.9	37%	0.374	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-30.3	-174.7	-76.3	-178	177.4	-175.9	0	115.4	Y489 Q493 P494 D495 C499 K500	Y489-K497 WeakPolarHBondContact CB-O 3.29Å; Y489-K497 HydrophobicContact CD2-CB 4.16Å; Y489-K497 HydrophobicContact CD2-CG 4.49Å; Y489-K497 HydrophobicContact CE1-CD 4.35Å; Y489-K497 HydrophobicContact CE2-CB 4.41Å; Y489-K497 HydrophobicContact CE2-CD 4.31Å; Y489-K497 HydrophobicContact CE2-CG 4.25Å; Y489-K497 HydrophobicContact CG-CB 4.33Å; Q493-K497 HydrophobicContact CB-CB 4.11Å; P494-K497 PolarHBondContact O-N 2.69Å; D495-K497 VanDerWaalsContact C-N 3.3Å; K497-C499 PolarHBondContact O-N 2.83Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 2.82Å
498	K	86.4	Confident	88.3	Confident	71 Å²	71	60.9 Å²	60.9	31%	0.309	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	138.9	-177	74	-177.3	-167.9	-170.1	0	111.3	C464 Q493 P494 D495 K500	C464-K498 HydrophobicContact CB-CD 4.3Å; C464-K498 HydrophobicContact CB-CG 4.36Å; C464-K498 VanDerWaalsContact SG-CG 3.57Å; Q493-K498 HydrophobicContact CB-CB 4.23Å; P494-K498 PolarHBondContact O-N 2.89Å; D495-K498 VanDerWaalsContact OD1-CE 3.25Å; D495-K498 WeakPolarHBondContact OD1-CE 3.13Å; D495-K498 IonicContact OD1-NZ 2.65Å; D495-K498 PolarHBondContact OD1-NZ 3.23Å; K498-K500 PolarHBondContact O-N 3.21Å
499	C	82.6	Confident	87.9	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.014	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	37.4	-179.5	-62.2	0	0	0	0	114.4	C464 E473 E474 C475 D476 Y489 K497	C464-C499 WeakPolarHBondContact CA-SG 3.5Å; C464-C499 HydrophobicContact CB-CB 3.77Å; C464-C499 WeakPolarHBondContact CB-SG 3.15Å; C464-C499 WeakPolarHBondContact SG-CB 3.34Å; C464-C499 PolarHBondContact SG-N 3.3Å; C464-C499 CovalentContact SG-SG 2.03Å; C464-C499 PolarHBondContact SG-SG 2.96Å; E473-C499 HydrophobicContact CB-CB 4.08Å; E473-C499 HydrophobicContact CG-CB 3.78Å; E474-C499 PolarHBondContact N-O 3.47Å; C475-C499 PolarHBondContact N-O 2.97Å; C475-C499 CarbonylContact O-C 3.55Å; C475-C499 WeakPolarHBondContact O-CA 3.18Å; C475-C499 WeakPolarHBondContact O-CB 3.14Å; C475-C499 VanDerWaalsContact O-O 3.08Å; D476-C499 VanDerWaalsContact CG-SG 3.51Å; Y489-C499 PolarHBondContact O-N 3.49Å; Y489-C499 VanDerWaalsContact O-N 3.09Å; K497-C499 PolarHBondContact O-N 2.83Å
500	K	94.5	Very high	87.1	Confident	69 Å²	69	61.2 Å²	61.2	30%	0.3	33%	0.325	S	S	.	.	S	Bend	trans	-125.1	157.1	172.9	-62.1	-171.2	-173.6	172.6	0	112	E474 C475 Y489 N496 K497 K498	E474-K500 HydrophobicContact CG-CB 4.4Å; E474-K500 HydrophobicContact CG-CG 4.18Å; E474-K500 WeakPolarHBondContact OE2-CB 3.28Å; C475-K500 PolarHBondContact SG-O 3.08Å; C475-K500 VanDerWaalsContact SG-O 3.32Å; Y489-K500 WeakPolarHBondContact CB-O 3.23Å; Y489-K500 PolarHBondContact N-O 3.48Å; N496-K500 WeakPolarHBondContact O-CD 3.49Å; N496-K500 PolarHBondContact O-NZ 2.75Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 2.82Å; K498-K500 PolarHBondContact O-N 3.21Å
501	L	95.8	Very high	86.9	Confident	34 Å²	34	62.1 Å²	62.1	18%	0.178	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-66.4	140.4	176.9	-65.9	173.7	0	0	0	110.5	E474 C475	E474-L501 HydrophobicContact CB-CG 4.21Å; E474-L501 PolarHBondContact OE2-N 3.04Å; C475-L501 HydrophobicContact CB-CD2 4.07Å
502	K	93.3	Very high	87.1	Confident	57 Å²	57	61.6 Å²	61.6	25%	0.248	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.1	151.7	171.9	-75.3	158.7	171	150.8	0	109.5	D485 L486 C487 C488 Y489 N504 K505	D485-K502 PolarHBondContact O-NZ 3.09Å; L486-K502 WeakPolarHBondContact O-CD 3.33Å; C487-K502 WeakPolarHBondContact O-CB 3.36Å; C487-K502 PolarHBondContact O-N 3.17Å; C488-K502 WeakPolarHBondContact O-CE 3.36Å; C488-K502 PolarHBondContact O-NZ 3.11Å; Y489-K502 HydrophobicContact CD1-CG 3.98Å; Y489-K502 HydrophobicContact CD2-CG 4.12Å; Y489-K502 HydrophobicContact CE1-CG 4Å; Y489-K502 HydrophobicContact CE2-CG 4.16Å; Y489-K502 HydrophobicContact CG-CG 4.04Å; K502-N504 PolarHBondContact O-N 3.4Å; K502-K505 HydrophobicContact CB-CG 3.99Å; K502-K505 VanDerWaalsContact O-CB 3.3Å; K502-K505 WeakPolarHBondContact O-CB 3.36Å; K502-K505 WeakPolarHBondContact O-CG 3.43Å; K502-K505 PolarHBondContact O-N 2.91Å; K502-K505 VanDerWaalsContact O-N 3.13Å
503	P	93.2	Very high	87.2	Confident	89 Å²	89	58 Å²	58	58%	0.578	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	139.2	-180	-28.2	35.3	0	0	0	112.9	Y489 K505	Y489-P503 WeakPolarHBondContact OH-CD 3.45Å; P503-K505 PolarHBondContact O-N 3.02Å
504	N	90.1	Very high	87.3	Confident	170 Å²	170	54.9 Å²	54.9	91%	0.909	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	20.6	-178.2	-49	-29	0	0	0	115	K502	K502-N504 PolarHBondContact O-N 3.4Å
505	K	94.1	Very high	87.6	Confident	73 Å²	73	51.4 Å²	51.4	32%	0.317	27%	0.269	S	S	.	.			trans	-105.3	138.5	170.1	-54.9	-48.4	-142.5	152	0	110.1	K502 P503 E518 C519	K502-K505 HydrophobicContact CB-CG 3.99Å; K502-K505 VanDerWaalsContact O-CB 3.3Å; K502-K505 WeakPolarHBondContact O-CB 3.36Å; K502-K505 WeakPolarHBondContact O-CG 3.43Å; K502-K505 PolarHBondContact O-N 2.91Å; K502-K505 VanDerWaalsContact O-N 3.13Å; P503-K505 PolarHBondContact O-N 3.02Å; K505-E518 PolarHBondContact NZ-O 2.96Å; K505-C519 HydrophobicContact CB-CB 3.86Å; K505-C519 HydrophobicContact CD-CB 3.64Å; K505-C519 WeakPolarHBondContact CE-SG 3.4Å; K505-C519 HydrophobicContact CG-CB 4Å; K505-C519 PolarHBondContact NZ-SG 2.86Å
506	V	94.2	Very high	88.3	Confident	76 Å²	76	46.3 Å²	46.3	46%	0.461	24%	0.243	S	C	.	.			trans	-102.2	-19	-175.8	-62.2	0	0	0	0	113.7	C519 Y521	V506-C519 VanDerWaalsContact CG2-O 3.25Å; V506-C519 WeakPolarHBondContact CG2-O 3.4Å; V506-C519 PolarHBondContact N-O 3.27Å; V506-Y521 HydrophobicContact CB-CE2 4.2Å; V506-Y521 HydrophobicContact CG2-CD2 4.16Å; V506-Y521 HydrophobicContact CG2-CE2 4.1Å; V506-Y521 PolarHBondContact O-OH 3.25Å
507	C	92.4	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.			trans	-154.2	171.8	175.2	63.7	0	0	0	0	111.9	C487 Q511 C515 C519 S520 Y521 A545	C487-C507 WeakPolarHBondContact CB-O 3.44Å; C507-Q511 VanDerWaalsContact CB-OE1 3.23Å; C507-C515 HydrophobicContact CB-CB 3.75Å; C507-C515 WeakPolarHBondContact CB-SG 3.23Å; C507-C515 VanDerWaalsContact SG-CA 3.59Å; C507-C515 WeakPolarHBondContact SG-CB 3.34Å; C507-C515 CovalentContact SG-SG 2.04Å; C507-C515 PolarHBondContact SG-SG 2.85Å; C507-C519 WeakPolarHBondContact O-CB 3.25Å; C507-S520 PolarHBondContact SG-O 3.08Å; C507-Y521 HydrophobicContact CB-CD1 3.9Å; C507-Y521 HydrophobicContact CB-CE1 3.53Å; C507-A545 HydrophobicContact CB-CB 3.86Å
508	S	91.4	Very high	88.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.			trans	-128.3	143.7	168.1	162.3	0	0	0	0	110.1	D485 S510 Q511 C515	D485-S508 WeakPolarHBondContact OD2-CB 3.29Å; D485-S508 PolarHBondContact OD2-OG 3Å; S508-S510 PolarHBondContact O-N 3.04Å; S508-S510 VanDerWaalsContact O-N 3.1Å; S508-S510 PolarHBondContact OG-N 3Å; S508-S510 VanDerWaalsContact OG-N 3.09Å; S508-S510 PolarHBondContact OG-OG 3.23Å; S508-Q511 VanDerWaalsContact O-CB 3.31Å; S508-Q511 WeakPolarHBondContact O-CB 3.47Å; S508-Q511 PolarHBondContact O-N 3.42Å; S508-Q511 PolarHBondContact O-OE1 2.93Å; S508-C515 PolarHBondContact N-SG 3.28Å; S508-C515 VanDerWaalsContact N-SG 3.37Å
509	P	83.5	Confident	88.9	Confident	39 Å²	39	43.9 Å²	43.9	25%	0.253	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-55.2	-21	170.3	-27	36	0	0	0	114.9	Q511 G512	P509-Q511 PolarHBondContact O-N 3.35Å; P509-G512 PolarHBondContact O-N 3.36Å
510	S	77.1	Confident	89.4	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.091	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-65.6	-25.7	174.9	79.6	0	0	0	0	113	R78 V469 D476 S508	R78-S510 PolarHBondContact NH1-O 2.97Å; V469-S510 WeakPolarHBondContact CG2-OG 3.18Å; D476-S510 PolarHBondContact N-OG 3.05Å; D476-S510 WeakPolarHBondContact O-CB 3.33Å; D476-S510 PolarHBondContact O-OG 2.88Å; S508-S510 PolarHBondContact O-N 3.04Å; S508-S510 VanDerWaalsContact O-N 3.1Å; S508-S510 PolarHBondContact OG-N 3Å; S508-S510 VanDerWaalsContact OG-N 3.09Å; S508-S510 PolarHBondContact OG-OG 3.23Å
511	Q	80.2	Confident	89.4	Confident	35 Å²	35	47 Å²	47	16%	0.164	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.3	-20.6	-178.4	-59.3	171.3	-41.6	0	0	112.6	V469 E474 C475 C507 S508 P509 A545 Q546	V469-Q511 HydrophobicContact CG2-CG 4.32Å; E474-Q511 WeakPolarHBondContact O-CG 3.39Å; E474-Q511 PolarHBondContact O-NE2 2.95Å; C475-Q511 HydrophobicContact CB-CG 4.42Å; C507-Q511 VanDerWaalsContact CB-OE1 3.23Å; S508-Q511 VanDerWaalsContact O-CB 3.31Å; S508-Q511 WeakPolarHBondContact O-CB 3.47Å; S508-Q511 PolarHBondContact O-N 3.42Å; S508-Q511 PolarHBondContact O-OE1 2.93Å; P509-Q511 PolarHBondContact O-N 3.35Å; Q511-A545 HydrophobicContact CB-CB 3.57Å; Q511-A545 HydrophobicContact CG-CB 4.44Å; Q511-Q546 WeakPolarHBondContact O-CG 3.34Å; Q511-Q546 PolarHBondContact O-NE2 2.88Å
512	G	79	Confident	89.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.01	26%	0.26	C	S	.	.			trans	151.3	175	-179.9	0	0	0	0	0	115.5	P509 C514 C515 A545	P509-G512 PolarHBondContact O-N 3.36Å; G512-C514 VanDerWaalsContact C-N 3.28Å; G512-C514 PolarHBondContact O-N 3.18Å; G512-C515 PolarHBondContact O-N 3.46Å; G512-A545 CarbonylContact C-O 3.55Å; G512-A545 VanDerWaalsContact CA-O 3.27Å; G512-A545 WeakPolarHBondContact CA-O 3.34Å; G512-A545 VanDerWaalsContact O-O 3.14Å
513	P	82.5	Confident	89.1	Confident	18 Å²	18	47 Å²	47	12%	0.117	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.3	-170.5	32.5	-37.9	0	0	0	115.1	Y112 K522 C528 C547	Y112-P513 HydrophobicContact CE1-CB 3.92Å; Y112-P513 HydrophobicContact CE1-CG 4.39Å; P513-K522 WeakPolarHBondContact O-CD 3.4Å; P513-K522 VanDerWaalsContact O-CE 3.26Å; P513-K522 WeakPolarHBondContact O-CE 3.25Å; P513-K522 PolarHBondContact O-NZ 3.31Å; P513-C528 HydrophobicContact CG-CB 4.28Å; P513-C547 HydrophobicContact CG-CB 4.09Å
514	C	91	Very high	88.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.6	175.1	-70	0	0	0	0	114	G512 K522 C528 C540 S544 A545	G512-C514 VanDerWaalsContact C-N 3.28Å; G512-C514 PolarHBondContact O-N 3.18Å; C514-K522 PolarHBondContact O-N 3.42Å; C514-C528 WeakPolarHBondContact SG-CB 3.18Å; C514-C540 VanDerWaalsContact CA-SG 3.54Å; C514-C540 HydrophobicContact CB-CB 3.82Å; C514-C540 WeakPolarHBondContact CB-SG 3.49Å; C514-C540 WeakPolarHBondContact SG-CA 3.41Å; C514-C540 WeakPolarHBondContact SG-CB 3.33Å; C514-C540 CovalentContact SG-SG 2.04Å; C514-C540 PolarHBondContact SG-SG 2.79Å; C514-S544 VanDerWaalsContact CB-O 3.23Å; C514-S544 WeakPolarHBondContact CB-O 3.43Å; C514-A545 CarbonylContact C-O 3.42Å; C514-A545 WeakPolarHBondContact CA-O 3.35Å; C514-A545 WeakPolarHBondContact CB-O 3.47Å; C514-A545 PolarHBondContact N-O 3.01Å
515	C	90.8	Very high	88.6	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.047	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-94.7	147.5	161.8	-166.5	0	0	0	0	111	C507 S508 G512 A545	C507-C515 HydrophobicContact CB-CB 3.75Å; C507-C515 WeakPolarHBondContact CB-SG 3.23Å; C507-C515 VanDerWaalsContact SG-CA 3.59Å; C507-C515 WeakPolarHBondContact SG-CB 3.34Å; C507-C515 CovalentContact SG-SG 2.04Å; C507-C515 PolarHBondContact SG-SG 2.85Å; S508-C515 PolarHBondContact N-SG 3.28Å; S508-C515 VanDerWaalsContact N-SG 3.37Å; G512-C515 PolarHBondContact O-N 3.46Å; C515-A545 HydrophobicContact CB-CB 3.97Å; C515-A545 PolarHBondContact N-O 3.06Å
516	T	88.6	Confident	88.2	Confident	20 Å²	20	50.3 Å²	50.3	12%	0.123	26%	0.263	C	S	.	.			trans	-89.9	156.7	170.6	64.5	0	0	0	0	111	E518 C519 S520 K522	T516-E518 WeakPolarHBondContact CB-OE2 3.46Å; T516-E518 PolarHBondContact O-N 3.28Å; T516-E518 PolarHBondContact OG1-N 2.91Å; T516-C519 PolarHBondContact O-N 3.37Å; T516-C519 PolarHBondContact OG1-N 3.17Å; T516-S520 PolarHBondContact N-O 3.47Å; T516-S520 PolarHBondContact OG1-N 3.48Å; T516-S520 PolarHBondContact OG1-O 3.4Å; T516-S520 PolarHBondContact OG1-OG 2.91Å; T516-K522 HydrophobicContact CG2-CG 3.85Å
517	P	86.1	Confident	87.7	Confident	85 Å²	85	51.2 Å²	51.2	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.1	168.9	-24.8	35.3	0	0	0	113.9	C519	P517-C519 PolarHBondContact O-N 3.48Å
518	E	91.6	Very high	87.2	Confident	128 Å²	128	52.5 Å²	52.5	60%	0.598	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-6.1	176.7	-63.9	65.7	-140.7	0	0	113.1	K505 T516	K505-E518 PolarHBondContact NZ-O 2.96Å; T516-E518 WeakPolarHBondContact CB-OE2 3.46Å; T516-E518 PolarHBondContact O-N 3.28Å; T516-E518 PolarHBondContact OG1-N 2.91Å
519	C	93.9	Very high	86.5	Confident	5 Å²	5	54 Å²	54	3%	0.034	28%	0.275	C	S	.	.	S	Bend	trans	75.6	28	179.3	-37.1	0	0	0	0	115.1	C487 K505 V506 C507 T516 P517	C487-C519 WeakPolarHBondContact CA-SG 3.43Å; C487-C519 HydrophobicContact CB-CB 3.64Å; C487-C519 WeakPolarHBondContact CB-SG 3.45Å; C487-C519 PolarHBondContact N-SG 3.02Å; C487-C519 VanDerWaalsContact N-SG 3.43Å; C487-C519 WeakPolarHBondContact SG-CA 3.35Å; C487-C519 WeakPolarHBondContact SG-CB 3.46Å; C487-C519 CovalentContact SG-SG 2.01Å; C487-C519 PolarHBondContact SG-SG 3.31Å; K505-C519 HydrophobicContact CB-CB 3.86Å; K505-C519 HydrophobicContact CD-CB 3.64Å; K505-C519 WeakPolarHBondContact CE-SG 3.4Å; K505-C519 HydrophobicContact CG-CB 4Å; K505-C519 PolarHBondContact NZ-SG 2.86Å; V506-C519 VanDerWaalsContact CG2-O 3.25Å; V506-C519 WeakPolarHBondContact CG2-O 3.4Å; V506-C519 PolarHBondContact N-O 3.27Å; C507-C519 WeakPolarHBondContact O-CB 3.25Å; T516-C519 PolarHBondContact O-N 3.37Å; T516-C519 PolarHBondContact OG1-N 3.17Å; P517-C519 PolarHBondContact O-N 3.48Å
520	S	94.3	Very high	86	Confident	55 Å²	55	57 Å²	57	39%	0.385	29%	0.286	S	S	.	.	S	Bend	trans	-108.5	155.8	171.8	60.7	0	0	0	0	110.8	C507 T516	C507-S520 PolarHBondContact SG-O 3.08Å; T516-S520 PolarHBondContact N-O 3.47Å; T516-S520 PolarHBondContact OG1-N 3.48Å; T516-S520 PolarHBondContact OG1-O 3.4Å; T516-S520 PolarHBondContact OG1-OG 2.91Å
521	Y	94.3	Very high	86.1	Confident	83 Å²	83	60.8 Å²	60.8	33%	0.325	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-67.4	139	168.4	-59.4	-54.9	0	0	0	110	V506 C507 S544 A545	V506-Y521 HydrophobicContact CB-CE2 4.2Å; V506-Y521 HydrophobicContact CG2-CD2 4.16Å; V506-Y521 HydrophobicContact CG2-CE2 4.1Å; V506-Y521 PolarHBondContact O-OH 3.25Å; C507-Y521 HydrophobicContact CB-CD1 3.9Å; C507-Y521 HydrophobicContact CB-CE1 3.53Å; Y521-S544 WeakPolarHBondContact CD1-O 3.43Å; Y521-S544 VanDerWaalsContact CE1-CA 3.44Å; Y521-A545 HydrophobicContact CE1-CB 4.26Å
522	K	90.8	Very high	85.6	Confident	56 Å²	56	59.9 Å²	59.9	24%	0.243	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-57.6	150.8	166.8	-77	-172.6	178	169.3	0	110.6	P513 C514 T516 E526 C540 G542	P513-K522 WeakPolarHBondContact O-CD 3.4Å; P513-K522 VanDerWaalsContact O-CE 3.26Å; P513-K522 WeakPolarHBondContact O-CE 3.25Å; P513-K522 PolarHBondContact O-NZ 3.31Å; C514-K522 PolarHBondContact O-N 3.42Å; T516-K522 HydrophobicContact CG2-CG 3.85Å; K522-E526 HydrophobicContact CB-CB 4.17Å; K522-E526 HydrophobicContact CB-CG 4.45Å; K522-E526 HydrophobicContact CD-CB 4.49Å; K522-E526 VanDerWaalsContact CD-OE2 3.28Å; K522-E526 WeakPolarHBondContact CD-OE2 3.32Å; K522-E526 WeakPolarHBondContact CG-OE2 3.32Å; K522-C540 HydrophobicContact CB-CB 4.15Å; K522-G542 WeakPolarHBondContact O-CA 3.4Å
523	G	91.4	Very high	85.4	Confident	33 Å²	33	63.8 Å²	63.8	34%	0.34	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-53.2	149	179.3	0	0	0	0	0	112.7	N525 E526	G523-N525 PolarHBondContact O-N 3.3Å; G523-E526 WeakPolarHBondContact CA-OE1 3.25Å; G523-E526 PolarHBondContact N-OE1 3.17Å; G523-E526 WeakPolarHBondContact O-CB 3.23Å; G523-E526 PolarHBondContact O-N 3.38Å
524	R	88.2	Confident	85.2	Confident	200 Å²	200	63 Å²	63	76%	0.755	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	128.4	172.8	-175.2	173.6	179.9	176.8	2.7	108.9	C540	R524-C540 WeakPolarHBondContact CA-O 3.3Å
525	N	84.6	Confident	84.7	Confident	114 Å²	114	63.2 Å²	63.2	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	24.3	-172.2	-44.8	-18.5	0	0	0	115.1	G523 M539 C540	G523-N525 PolarHBondContact O-N 3.3Å; N525-M539 HydrophobicContact CB-SD 4.22Å; N525-C540 PolarHBondContact N-O 2.93Å
526	E	86.8	Confident	84.5	Confident	88 Å²	88	66.5 Å²	66.5	41%	0.411	33%	0.329	S	S	.	.			trans	-76.3	136.3	156.1	-77.8	-173.4	-129.9	0	0	110.6	K522 G523 M539 C540	K522-E526 HydrophobicContact CB-CB 4.17Å; K522-E526 HydrophobicContact CB-CG 4.45Å; K522-E526 HydrophobicContact CD-CB 4.49Å; K522-E526 VanDerWaalsContact CD-OE2 3.28Å; K522-E526 WeakPolarHBondContact CD-OE2 3.32Å; K522-E526 WeakPolarHBondContact CG-OE2 3.32Å; G523-E526 WeakPolarHBondContact CA-OE1 3.25Å; G523-E526 PolarHBondContact N-OE1 3.17Å; G523-E526 WeakPolarHBondContact O-CB 3.23Å; G523-E526 PolarHBondContact O-N 3.38Å; E526-M539 VanDerWaalsContact C-SD 3.57Å; E526-C540 HydrophobicContact CB-CB 4.38Å; E526-C540 PolarHBondContact O-N 2.97Å; E526-C540 PolarHBondContact O-SG 2.66Å
527	K	83.5	Confident	84.3	Confident	95 Å²	95	69.8 Å²	69.8	41%	0.413	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.3	-177.6	-166.1	-179	70.3	172.4	0	111.5	R529 E530 Q537 M539	K527-R529 WeakPolarHBondContact CG-O 3.28Å; K527-E530 WeakPolarHBondContact CE-OE1 3.28Å; K527-E530 WeakPolarHBondContact CE-OE2 3.16Å; K527-E530 IonicContact NZ-OE1 2.63Å; K527-E530 PolarHBondContact NZ-OE1 3.47Å; K527-E530 IonicContact NZ-OE2 3.82Å; K527-E530 PolarHBondContact NZ-OE2 2.8Å; K527-Q537 HydrophobicContact CD-CB 4.37Å; K527-Q537 HydrophobicContact CG-CB 4.42Å; K527-M539 HydrophobicContact CB-CE 4.12Å; K527-M539 HydrophobicContact CB-SD 4.35Å; K527-M539 HydrophobicContact CG-CE 4.37Å
528	C	81.6	Confident	84.2	Confident	27 Å²	27	65.8 Å²	65.8	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-10.3	177	60.1	0	0	0	0	114.6	P513 C514 G538 C547	P513-C528 HydrophobicContact CG-CB 4.28Å; C514-C528 WeakPolarHBondContact SG-CB 3.18Å; C528-G538 PolarHBondContact N-O 3.36Å; C528-G538 PolarHBondContact SG-O 3.23Å; C528-G538 VanDerWaalsContact SG-O 3.38Å; C528-C547 HydrophobicContact CB-CB 3.65Å; C528-C547 WeakPolarHBondContact CB-SG 3.48Å; C528-C547 WeakPolarHBondContact SG-CA 3.42Å; C528-C547 WeakPolarHBondContact SG-CB 3.12Å; C528-C547 CovalentContact SG-SG 2.04Å; C528-C547 PolarHBondContact SG-SG 3.18Å
529	R	77.1	Confident	84	Confident	33 Å²	33	62.2 Å²	62.2	13%	0.125	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142	171.7	-158.3	-175.8	-55.4	172.9	-0.5	109.3	E114 Y135 K527 G538 P548	E114-R529 IonicContact OE1-CZ 2.67Å; E114-R529 IonicContact OE1-NE 3.7Å; E114-R529 IonicContact OE1-NH1 3.17Å; E114-R529 PolarHBondContact OE1-NH1 3.27Å; E114-R529 IonicContact OE1-NH2 3.57Å; E114-R529 PolarHBondContact OE1-NH2 3.45Å; Y135-R529 PolarHBondContact OH-NH1 3.45Å; K527-R529 WeakPolarHBondContact CG-O 3.28Å; R529-G538 PolarHBondContact N-O 3.5Å; R529-G538 PolarHBondContact O-N 2.93Å; R529-P548 PolarHBondContact NH2-O 3.14Å
530	E	73.3	Confident	83.8	Confident	102 Å²	102	62 Å²	62	48%	0.477	30%	0.299	S	S	.	.			trans	-66.1	161.7	173.1	-62.8	-56.5	154.6	0	0	112.1	K527	K527-E530 WeakPolarHBondContact CE-OE1 3.28Å; K527-E530 WeakPolarHBondContact CE-OE2 3.16Å; K527-E530 IonicContact NZ-OE1 2.63Å; K527-E530 PolarHBondContact NZ-OE1 3.47Å; K527-E530 IonicContact NZ-OE2 3.82Å; K527-E530 PolarHBondContact NZ-OE2 2.8Å
531	E	79.3	Confident	83.5	Confident	92 Å²	92	62 Å²	62	43%	0.43	30%	0.299	S	S	.	.			trans	-73.9	148.9	175	-173.9	157	-173.6	0	0	111.7	H536 Q537 K553	E531-H536 IonicContact OE1-ND1 2.67Å; E531-H536 PolarHBondContact OE1-ND1 2.8Å; E531-Q537 HydrophobicContact CB-CB 4.24Å; E531-K553 WeakPolarHBondContact OE1-CE 3.43Å; E531-K553 IonicContact OE1-NZ 2.64Å; E531-K553 PolarHBondContact OE1-NZ 3.02Å
532	S	68.1	Low	83.3	Confident	16 Å²	16	59.8 Å²	59.8	11%	0.112	30%	0.302	C	S	.	.			trans	-117.6	163.6	-176.4	151.5	0	0	0	0	109.7	G72 C534 A535 K553	G72-S532 CarbonylContact O-C 3.42Å; G72-S532 VanDerWaalsContact O-CA 3.3Å; G72-S532 WeakPolarHBondContact O-CA 3.28Å; G72-S532 WeakPolarHBondContact O-CB 3.39Å; G72-S532 PolarHBondContact O-OG 2.04Å; S532-C534 PolarHBondContact O-N 3.31Å; S532-C534 PolarHBondContact OG-N 3.4Å; S532-C534 VanDerWaalsContact OG-N 3.09Å; S532-A535 CarbonylContact C-O 3.54Å; S532-A535 WeakPolarHBondContact CA-O 3.5Å; S532-A535 WeakPolarHBondContact CB-O 3.45Å; S532-A535 PolarHBondContact N-O 2.97Å; S532-A535 VanDerWaalsContact O-O 3.06Å; S532-A535 PolarHBondContact OG-N 2.71Å; S532-A535 VanDerWaalsContact OG-N 3.14Å; S532-K553 PolarHBondContact O-NZ 2.83Å
533	E	75.6	Confident	83.4	Confident	83 Å²	83	59.4 Å²	59.4	39%	0.388	31%	0.314	S	S	.	.	S	Bend	trans	-60	-32.8	170.4	-69.5	-160.2	155.3	0	0	112.3	G72 K553 C559 H560	G72-E533 PolarHBondContact O-N 3.02Å; E533-K553 WeakPolarHBondContact O-CD 3.22Å; E533-C559 HydrophobicContact CB-CB 4.22Å; E533-C559 WeakPolarHBondContact OE2-CB 3.45Å; E533-H560 PolarHBondContact OE2-N 2.89Å
534	C	79.4	Confident	83.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-118.8	-2.3	-175.1	-69.9	0	0	0	0	115.9	S532 K553 C559 C566 G569	S532-C534 PolarHBondContact O-N 3.31Å; S532-C534 PolarHBondContact OG-N 3.4Å; S532-C534 VanDerWaalsContact OG-N 3.09Å; C534-K553 WeakPolarHBondContact O-CB 3.18Å; C534-K553 PolarHBondContact O-N 3.3Å; C534-C559 VanDerWaalsContact SG-CB 3.54Å; C534-C566 WeakPolarHBondContact CA-SG 3.28Å; C534-C566 HydrophobicContact CB-CB 3.61Å; C534-C566 WeakPolarHBondContact CB-SG 3.35Å; C534-C566 WeakPolarHBondContact SG-CA 3.14Å; C534-C566 WeakPolarHBondContact SG-CB 3.36Å; C534-C566 CovalentContact SG-SG 2.04Å; C534-C566 PolarHBondContact SG-SG 3.18Å; C534-G569 CarbonylContact C-O 3.58Å; C534-G569 WeakPolarHBondContact CB-O 3.13Å; C534-G569 WeakPolarHBondContact O-CA 3.35Å
535	A	79.4	Confident	83.2	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-133.7	148.2	169.5	0	0	0	0	0	111.4	S532 E551	S532-A535 CarbonylContact C-O 3.54Å; S532-A535 WeakPolarHBondContact CA-O 3.5Å; S532-A535 WeakPolarHBondContact CB-O 3.45Å; S532-A535 PolarHBondContact N-O 2.97Å; S532-A535 VanDerWaalsContact O-O 3.06Å; S532-A535 PolarHBondContact OG-N 2.71Å; S532-A535 VanDerWaalsContact OG-N 3.14Å; A535-E551 WeakPolarHBondContact CA-O 3.24Å
536	H	86.8	Confident	83.2	Confident	76 Å²	76	46.1 Å²	46.1	35%	0.352	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-73.3	167.5	175.2	-69.6	-65.8	0	0	0	112	E531 G538 S550 E551 K553	E531-H536 IonicContact OE1-ND1 2.67Å; E531-H536 PolarHBondContact OE1-ND1 2.8Å; H536-G538 PolarHBondContact O-N 2.91Å; H536-S550 WeakPolarHBondContact O-CB 3.39Å; H536-S550 PolarHBondContact O-OG 3.1Å; H536-E551 PolarHBondContact N-O 3.01Å; H536-K553 WeakPolarHBondContact ND1-CE 3.01Å; H536-K553 WeakPolarHBondContact NE2-CG 3.39Å
537	Q	84.8	Confident	82.9	Confident	89 Å²	89	42.3 Å²	42.3	42%	0.416	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-51.8	132.3	171.6	49.5	179.2	-15.8	0	0	111.9	K527 E531 M539	K527-Q537 HydrophobicContact CD-CB 4.37Å; K527-Q537 HydrophobicContact CG-CB 4.42Å; E531-Q537 HydrophobicContact CB-CB 4.24Å; Q537-M539 HydrophobicContact CB-CE 4.44Å; Q537-M539 HydrophobicContact CG-CE 3.77Å; Q537-M539 VanDerWaalsContact OE1-CE 3.22Å
538	G	83.4	Confident	82.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.6	179.1	0	0	0	0	0	110.6	C528 R529 H536 S550	C528-G538 PolarHBondContact N-O 3.36Å; C528-G538 PolarHBondContact SG-O 3.23Å; C528-G538 VanDerWaalsContact SG-O 3.38Å; R529-G538 PolarHBondContact N-O 3.5Å; R529-G538 PolarHBondContact O-N 2.93Å; H536-G538 PolarHBondContact O-N 2.91Å; G538-S550 WeakPolarHBondContact CA-OG 3.45Å; G538-S550 PolarHBondContact N-OG 2.76Å
539	M	88.6	Confident	82.4	Confident	53 Å²	53	42.7 Å²	42.7	26%	0.261	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.2	-169.9	-76.5	-66.5	172.7	0	0	112.2	N525 E526 K527 Q537 P548	N525-M539 HydrophobicContact CB-SD 4.22Å; E526-M539 VanDerWaalsContact C-SD 3.57Å; K527-M539 HydrophobicContact CB-CE 4.12Å; K527-M539 HydrophobicContact CB-SD 4.35Å; K527-M539 HydrophobicContact CG-CE 4.37Å; Q537-M539 HydrophobicContact CB-CE 4.44Å; Q537-M539 HydrophobicContact CG-CE 3.77Å; Q537-M539 VanDerWaalsContact OE1-CE 3.22Å; M539-P548 WeakPolarHBondContact O-CD 3.08Å; M539-P548 VanDerWaalsContact O-CG 3.31Å; M539-P548 WeakPolarHBondContact O-CG 3.19Å
540	C	88.6	Confident	82.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	24%	0.241	C	C	.	.			trans	-60.9	138.3	176.4	-63.6	0	0	0	0	111.2	C514 K522 R524 N525 E526 G542	C514-C540 VanDerWaalsContact CA-SG 3.54Å; C514-C540 HydrophobicContact CB-CB 3.82Å; C514-C540 WeakPolarHBondContact CB-SG 3.49Å; C514-C540 WeakPolarHBondContact SG-CA 3.41Å; C514-C540 WeakPolarHBondContact SG-CB 3.33Å; C514-C540 CovalentContact SG-SG 2.04Å; C514-C540 PolarHBondContact SG-SG 2.79Å; K522-C540 HydrophobicContact CB-CB 4.15Å; R524-C540 WeakPolarHBondContact CA-O 3.3Å; N525-C540 PolarHBondContact N-O 2.93Å; E526-C540 HydrophobicContact CB-CB 4.38Å; E526-C540 PolarHBondContact O-N 2.97Å; E526-C540 PolarHBondContact O-SG 2.66Å; C540-G542 VanDerWaalsContact C-N 3.33Å; C540-G542 PolarHBondContact O-N 2.78Å
541	S	89.2	Confident	83.1	Confident	56 Å²	56	43.5 Å²	43.5	39%	0.392	25%	0.252	S	S	.	.			trans	-78.6	-14.3	-176.2	62.6	0	0	0	0	114.4	G543 S544	S541-G543 VanDerWaalsContact C-N 3.27Å; S541-G543 PolarHBondContact OG-N 3.2Å; S541-S544 PolarHBondContact OG-N 3.29Å
542	G	89.9	Confident	83.3	Confident	36 Å²	36	42 Å²	42	37%	0.371	25%	0.25	S	S	.	.	S	Bend	trans	80.9	-1.3	-167.4	0	0	0	0	0	114.8	K522 C540	K522-G542 WeakPolarHBondContact O-CA 3.4Å; C540-G542 VanDerWaalsContact C-N 3.33Å; C540-G542 PolarHBondContact O-N 2.78Å
543	G	91.1	Very high	84.3	Confident	48 Å²	48	43 Å²	43	50%	0.495	25%	0.253	S	S	.	.	S	Bend	trans	-143.4	16.6	-173.3	0	0	0	0	0	115.2	S541	S541-G543 VanDerWaalsContact C-N 3.27Å; S541-G543 PolarHBondContact OG-N 3.2Å
544	S	90.1	Very high	85	Confident	38 Å²	38	42.5 Å²	42.5	27%	0.266	26%	0.262	S	S	.	.			trans	-149.7	146.4	177	-179.3	0	0	0	0	110.5	C514 Y521 S541 Q546	C514-S544 VanDerWaalsContact CB-O 3.23Å; C514-S544 WeakPolarHBondContact CB-O 3.43Å; Y521-S544 WeakPolarHBondContact CD1-O 3.43Å; Y521-S544 VanDerWaalsContact CE1-CA 3.44Å; S541-S544 PolarHBondContact OG-N 3.29Å; S544-Q546 PolarHBondContact O-N 2.69Å; S544-Q546 PolarHBondContact OG-N 2.87Å
545	A	86.8	Confident	85.3	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.041	28%	0.28	C	S	.	.	S	Bend	trans	-73	-13.4	174.4	0	0	0	0	0	112.7	C507 Q511 G512 C514 C515 Y521	C507-A545 HydrophobicContact CB-CB 3.86Å; Q511-A545 HydrophobicContact CB-CB 3.57Å; Q511-A545 HydrophobicContact CG-CB 4.44Å; G512-A545 CarbonylContact C-O 3.55Å; G512-A545 VanDerWaalsContact CA-O 3.27Å; G512-A545 WeakPolarHBondContact CA-O 3.34Å; G512-A545 VanDerWaalsContact O-O 3.14Å; C514-A545 CarbonylContact C-O 3.42Å; C514-A545 WeakPolarHBondContact CA-O 3.35Å; C514-A545 WeakPolarHBondContact CB-O 3.47Å; C514-A545 PolarHBondContact N-O 3.01Å; C515-A545 HydrophobicContact CB-CB 3.97Å; C515-A545 PolarHBondContact N-O 3.06Å; Y521-A545 HydrophobicContact CE1-CB 4.26Å
546	Q	83.8	Confident	85.8	Confident	25 Å²	25	49.5 Å²	49.5	12%	0.117	30%	0.295	C	S	.	.	S	Bend	trans	-101.8	151.6	-172.5	-65.9	-174.6	-57.1	0	0	111.8	K115 Q511 S544 P548	K115-Q546 VanDerWaalsContact CB-NE2 3.35Å; Q511-Q546 WeakPolarHBondContact O-CG 3.34Å; Q511-Q546 PolarHBondContact O-NE2 2.88Å; S544-Q546 PolarHBondContact O-N 2.69Å; S544-Q546 PolarHBondContact OG-N 2.87Å; Q546-P548 VanDerWaalsContact O-CD 3.32Å; Q546-P548 WeakPolarHBondContact O-CD 3.35Å
547	C	79.9	Confident	85.8	Confident	8 Å²	8	48.3 Å²	48.3	5%	0.054	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-76.7	118.4	172.8	-165.6	0	0	0	0	108.3	G113 P513 C528	G113-C547 PolarHBondContact O-N 2.98Å; G113-C547 VanDerWaalsContact O-N 3.13Å; P513-C547 HydrophobicContact CG-CB 4.09Å; C528-C547 HydrophobicContact CB-CB 3.65Å; C528-C547 WeakPolarHBondContact CB-SG 3.48Å; C528-C547 WeakPolarHBondContact SG-CA 3.42Å; C528-C547 WeakPolarHBondContact SG-CB 3.12Å; C528-C547 CovalentContact SG-SG 2.04Å; C528-C547 PolarHBondContact SG-SG 3.18Å
548	P	82.5	Confident	85.8	Confident	50 Å²	50	45.7 Å²	45.7	33%	0.325	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-55.7	154.4	172.6	-23.1	35.5	0	0	0	110.8	R529 M539 Q546 S550	R529-P548 PolarHBondContact NH2-O 3.14Å; M539-P548 WeakPolarHBondContact O-CD 3.08Å; M539-P548 VanDerWaalsContact O-CG 3.31Å; M539-P548 WeakPolarHBondContact O-CG 3.19Å; Q546-P548 VanDerWaalsContact O-CD 3.32Å; Q546-P548 WeakPolarHBondContact O-CD 3.35Å; P548-S550 PolarHBondContact O-N 2.79Å; P548-S550 VanDerWaalsContact O-N 3.16Å
549	T	73.9	Confident	85.4	Confident	79 Å²	79	45.8 Å²	45.8	49%	0.485	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-49.7	123.1	164.2	-72.4	0	0	0	0	109.5	Y135	Y135-T549 HydrophobicContact CD2-CG2 3.98Å; Y135-T549 HydrophobicContact CE2-CG2 3.26Å
550	S	80.1	Confident	84.2	Confident	5 Å²	5	44.8 Å²	44.8	4%	0.035	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-52.6	138.6	172.8	-77.1	0	0	0	0	110.9	H536 G538 P548	H536-S550 WeakPolarHBondContact O-CB 3.39Å; H536-S550 PolarHBondContact O-OG 3.1Å; G538-S550 WeakPolarHBondContact CA-OG 3.45Å; G538-S550 PolarHBondContact N-OG 2.76Å; P548-S550 PolarHBondContact O-N 2.79Å; P548-S550 VanDerWaalsContact O-N 3.16Å
551	E	84.9	Confident	83.2	Confident	147 Å²	147	47.8 Å²	47.8	69%	0.687	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-61.8	124.9	175.4	-172.9	169.4	-169	0	0	109.7	A535 H536	A535-E551 WeakPolarHBondContact CA-O 3.24Å; H536-E551 PolarHBondContact N-O 3.01Å
552	P	82.8	Confident	82.6	Confident	62 Å²	62	49.5 Å²	49.5	40%	0.403	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-67.8	136.9	-179.9	28.9	-34.9	0	0	0	109.9
553	K	88.6	Confident	81.5	Confident	37 Å²	37	48.7 Å²	48.7	16%	0.161	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.5	153	167.5	-73.5	168.5	172.7	178.9	0	109.1	E531 S532 E533 C534 H536 N555	E531-K553 WeakPolarHBondContact OE1-CE 3.43Å; E531-K553 IonicContact OE1-NZ 2.64Å; E531-K553 PolarHBondContact OE1-NZ 3.02Å; S532-K553 PolarHBondContact O-NZ 2.83Å; E533-K553 WeakPolarHBondContact O-CD 3.22Å; C534-K553 WeakPolarHBondContact O-CB 3.18Å; C534-K553 PolarHBondContact O-N 3.3Å; H536-K553 WeakPolarHBondContact ND1-CE 3.01Å; H536-K553 WeakPolarHBondContact NE2-CG 3.39Å; K553-N555 PolarHBondContact O-N 3.23Å
554	A	90.8	Very high	80.7	Confident	72 Å²	72	47.1 Å²	47.1	60%	0.595	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-49.6	132.5	-175.2	0	0	0	0	0	111.8	F556 T557	A554-F556 PolarHBondContact O-N 3.3Å; A554-T557 WeakPolarHBondContact O-CB 3.43Å; A554-T557 PolarHBondContact O-N 3.03Å; A554-T557 PolarHBondContact O-OG1 2.81Å
555	N	86.1	Confident	80.4	Confident	69 Å²	69	45.3 Å²	45.3	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	141	176.9	-74.9	-2.5	0	0	0	110.1	K553 T557 C566 N568	K553-N555 PolarHBondContact O-N 3.23Å; N555-T557 PolarHBondContact O-N 3Å; N555-C566 CarbonylContact C-O 3.4Å; N555-C566 VanDerWaalsContact CA-O 3.26Å; N555-C566 WeakPolarHBondContact CA-O 3.48Å; N555-N568 PolarHBondContact ND2-OD1 3.33Å; N555-N568 PolarHBondContact OD1-N 3.27Å
556	F	88.7	Confident	80.1	Confident	84 Å²	84	45 Å²	45	37%	0.368	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	13.2	-172	-40.6	-69.5	0	0	0	116.4	A554 V565 C566 L567 E577 K578	A554-F556 PolarHBondContact O-N 3.3Å; F556-V565 HydrophobicContact CB-CG1 4.29Å; F556-V565 HydrophobicContact CD1-CB 4.24Å; F556-V565 HydrophobicContact CD1-CG1 4.2Å; F556-V565 HydrophobicContact CD1-CG2 4.22Å; F556-C566 PolarHBondContact N-O 3.3Å; F556-L567 HydrophobicContact CD1-CD2 4.21Å; F556-L567 HydrophobicContact CE1-CD2 3.75Å; F556-L567 HydrophobicContact CZ-CD2 4.26Å; F556-E577 HydrophobicContact CD1-CB 4.18Å; F556-E577 HydrophobicContact CE1-CB 3.91Å; F556-K578 HydrophobicContact CB-CB 3.95Å; F556-K578 HydrophobicContact CB-CG 3.96Å; F556-K578 VanDerWaalsContact O-CD 3.28Å; F556-K578 WeakPolarHBondContact O-CD 3.49Å; F556-K578 WeakPolarHBondContact O-CE 3.28Å; F556-K578 WeakPolarHBondContact O-CG 3.38Å
557	T	88.1	Confident	79.7	Confident	51 Å²	51	46 Å²	46	31%	0.313	27%	0.273	S	S	.	.			trans	-53.4	137.1	152	-64.3	0	0	0	0	108.6	A554 N555 V565 C566	A554-T557 WeakPolarHBondContact O-CB 3.43Å; A554-T557 PolarHBondContact O-N 3.03Å; A554-T557 PolarHBondContact O-OG1 2.81Å; N555-T557 PolarHBondContact O-N 3Å; T557-V565 CarbonylContact O-C 3.53Å; T557-V565 WeakPolarHBondContact O-CA 2.99Å; T557-C566 PolarHBondContact O-N 3.4Å
558	A	83.9	Confident	79.3	Confident	33 Å²	33	51 Å²	51	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.6	-178.5	0	0	0	0	0	110.2	E562 I575	A558-E562 HydrophobicContact CB-CB 4.43Å; A558-E562 HydrophobicContact CB-CG 4.08Å; A558-I575 HydrophobicContact CB-CD1 3.66Å
559	C	74.9	Confident	78.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	173	-179.6	62.5	0	0	0	0	111.4	E533 C534 G561 E562 T563 Q564 V565 C571	E533-C559 HydrophobicContact CB-CB 4.22Å; E533-C559 WeakPolarHBondContact OE2-CB 3.45Å; C534-C559 VanDerWaalsContact SG-CB 3.54Å; C559-G561 PolarHBondContact O-N 3.32Å; C559-E562 PolarHBondContact O-N 2.84Å; C559-E562 VanDerWaalsContact O-N 3.15Å; C559-T563 PolarHBondContact O-N 3.4Å; C559-Q564 PolarHBondContact N-O 2.8Å; C559-Q564 PolarHBondContact O-N 2.87Å; C559-V565 PolarHBondContact SG-O 3.21Å; C559-V565 VanDerWaalsContact SG-O 3.39Å; C559-C571 HydrophobicContact CB-CB 3.9Å; C559-C571 WeakPolarHBondContact CB-SG 3.45Å; C559-C571 VanDerWaalsContact SG-CA 3.52Å; C559-C571 WeakPolarHBondContact SG-CB 3.49Å; C559-C571 CovalentContact SG-SG 2.03Å; C559-C571 PolarHBondContact SG-SG 3.07Å
560	H	63.8	Low	78.1	Confident	33 Å²	33	45.5 Å²	45.5	15%	0.153	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	50.9	177.4	-154.1	50.9	0	0	0	112.9	R26 H35 E37 E533 T563 Q564	R26-H560 PolarHBondContact NH2-CD2 3.13Å; H35-H560 AromaticContact CE1-CD2 3.8Å; E37-H560 VanDerWaalsContact CG-NE2 3.27Å; E37-H560 WeakPolarHBondContact CG-NE2 3.48Å; E37-H560 IonicContact OE1-CE1 2.64Å; E37-H560 PolarHBondContact OE1-CE1 2.85Å; E37-H560 IonicContact OE1-ND1 2.7Å; E37-H560 PolarHBondContact OE1-ND1 3.4Å; E37-H560 IonicContact OE1-NE2 3.76Å; E37-H560 PolarHBondContact OE1-NE2 2.97Å; E37-H560 IonicContact OE2-NE2 3.12Å; E533-H560 PolarHBondContact OE2-N 2.89Å; H560-T563 PolarHBondContact O-OG1 3.43Å; H560-Q564 HydrophobicContact CB-CB 4.44Å; H560-Q564 PolarHBondContact CD2-OE1 3.24Å
561	G	67.5	Low	77.4	Confident	64 Å²	64	45.6 Å²	45.6	66%	0.66	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	35.5	-177.8	0	0	0	0	0	114.5	C559 T563	C559-G561 PolarHBondContact O-N 3.32Å; G561-T563 PolarHBondContact O-N 3.02Å
562	E	76.2	Confident	76.5	Confident	92 Å²	92	39.5 Å²	39.5	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	25.3	-174.8	-59.9	177	-125.8	0	0	114.8	A558 C559 I575 K626	A558-E562 HydrophobicContact CB-CB 4.43Å; A558-E562 HydrophobicContact CB-CG 4.08Å; C559-E562 PolarHBondContact O-N 2.84Å; C559-E562 VanDerWaalsContact O-N 3.15Å; E562-I575 WeakPolarHBondContact O-CB 3.43Å; E562-I575 WeakPolarHBondContact O-CG1 3.36Å; E562-K626 IonicContact OE1-NZ 2.68Å; E562-K626 PolarHBondContact OE1-NZ 3.24Å; E562-K626 IonicContact OE2-NZ 2.59Å; E562-K626 PolarHBondContact OE2-NZ 3.11Å
563	T	66.4	Low	75.8	Confident	18 Å²	18	38.1 Å²	38.1	11%	0.11	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-24.9	176.6	61.5	0	0	0	0	113.2	R26 C559 H560 G561 I575 T628	R26-T563 PolarHBondContact NH1-OG1 3.2Å; C559-T563 PolarHBondContact O-N 3.4Å; H560-T563 PolarHBondContact O-OG1 3.43Å; G561-T563 PolarHBondContact O-N 3.02Å; T563-I575 PolarHBondContact O-N 3.46Å; T563-I575 VanDerWaalsContact O-N 3.13Å; T563-T628 HydrophobicContact CG2-CG2 3.86Å
564	Q	76.1	Confident	75.4	Confident	15 Å²	15	37.2 Å²	37.2	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	179	-177.8	-62.9	-179.2	-77	0	0	111.1	C559 H560 G573	C559-Q564 PolarHBondContact N-O 2.8Å; C559-Q564 PolarHBondContact O-N 2.87Å; H560-Q564 HydrophobicContact CB-CB 4.44Å; H560-Q564 PolarHBondContact CD2-OE1 3.24Å; Q564-G573 WeakPolarHBondContact CB-O 3.02Å; Q564-G573 VanDerWaalsContact CG-O 3.31Å; Q564-G573 WeakPolarHBondContact CG-O 3.03Å
565	V	81.8	Confident	75.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.4	179.2	-78.3	0	0	0	0	112.3	F556 T557 C559 L567 S572 I575 E577 K578	F556-V565 HydrophobicContact CB-CG1 4.29Å; F556-V565 HydrophobicContact CD1-CB 4.24Å; F556-V565 HydrophobicContact CD1-CG1 4.2Å; F556-V565 HydrophobicContact CD1-CG2 4.22Å; T557-V565 CarbonylContact O-C 3.53Å; T557-V565 WeakPolarHBondContact O-CA 2.99Å; C559-V565 PolarHBondContact SG-O 3.21Å; C559-V565 VanDerWaalsContact SG-O 3.39Å; V565-L567 HydrophobicContact CG2-CD1 4.25Å; V565-L567 HydrophobicContact CG2-CD2 4.28Å; V565-L567 HydrophobicContact CG2-CG 4.04Å; V565-L567 PolarHBondContact O-N 2.84Å; V565-S572 CarbonylContact C-O 3.55Å; V565-S572 VanDerWaalsContact CG2-O 3.22Å; V565-S572 WeakPolarHBondContact CG2-O 3.24Å; V565-S572 PolarHBondContact N-O 3.21Å; V565-S572 PolarHBondContact O-N 2.91Å; V565-I575 HydrophobicContact CG1-CD1 4.26Å; V565-E577 HydrophobicContact CG2-CB 4.43Å; V565-K578 HydrophobicContact CG1-CB 3.94Å
566	C	81.3	Confident	75.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.9	166.2	-58.4	0	0	0	0	109.5	C534 N555 F556 T557 G570	C534-C566 WeakPolarHBondContact CA-SG 3.28Å; C534-C566 HydrophobicContact CB-CB 3.61Å; C534-C566 WeakPolarHBondContact CB-SG 3.35Å; C534-C566 WeakPolarHBondContact SG-CA 3.14Å; C534-C566 WeakPolarHBondContact SG-CB 3.36Å; C534-C566 CovalentContact SG-SG 2.04Å; C534-C566 PolarHBondContact SG-SG 3.18Å; N555-C566 CarbonylContact C-O 3.4Å; N555-C566 VanDerWaalsContact CA-O 3.26Å; N555-C566 WeakPolarHBondContact CA-O 3.48Å; F556-C566 PolarHBondContact N-O 3.3Å; T557-C566 PolarHBondContact O-N 3.4Å; C566-G570 CarbonylContact C-O 3.56Å; C566-G570 VanDerWaalsContact CA-O 3.29Å; C566-G570 WeakPolarHBondContact CA-O 3.37Å
567	L	74.8	Confident	75.2	Confident	45 Å²	45	29.9 Å²	29.9	24%	0.236	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.4	174.7	-66.3	176.7	0	0	0	108.7	F556 V565 G569 G570	F556-L567 HydrophobicContact CD1-CD2 4.21Å; F556-L567 HydrophobicContact CE1-CD2 3.75Å; F556-L567 HydrophobicContact CZ-CD2 4.26Å; V565-L567 HydrophobicContact CG2-CD1 4.25Å; V565-L567 HydrophobicContact CG2-CD2 4.28Å; V565-L567 HydrophobicContact CG2-CG 4.04Å; V565-L567 PolarHBondContact O-N 2.84Å; L567-G569 PolarHBondContact O-N 3.03Å; L567-G570 PolarHBondContact N-O 3.47Å; L567-G570 PolarHBondContact O-N 3.02Å; L567-G570 VanDerWaalsContact O-N 3.16Å
568	N	72.5	Confident	75.3	Confident	112 Å²	112	31.5 Å²	31.5	60%	0.599	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	24	178.8	-53.8	-34.9	0	0	0	114.8	H136 N555	H136-N568 PolarHBondContact CE1-O 2.77Å; H136-N568 PolarHBondContact ND1-O 3.2Å; N555-N568 PolarHBondContact ND2-OD1 3.33Å; N555-N568 PolarHBondContact OD1-N 3.27Å
569	G	68.2	Low	75.6	Confident	4 Å²	4	33.7 Å²	33.7	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	-18.2	178.2	0	0	0	0	0	115.6	C534 L567	C534-G569 CarbonylContact C-O 3.58Å; C534-G569 WeakPolarHBondContact CB-O 3.13Å; C534-G569 WeakPolarHBondContact O-CA 3.35Å; L567-G569 PolarHBondContact O-N 3.03Å
570	G	62.7	Low	76.3	Confident	11 Å²	11	35.5 Å²	35.5	11%	0.113	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	155.8	169.5	0	0	0	0	0	111.9	C566 L567	C566-G570 CarbonylContact C-O 3.56Å; C566-G570 VanDerWaalsContact CA-O 3.29Å; C566-G570 WeakPolarHBondContact CA-O 3.37Å; L567-G570 PolarHBondContact N-O 3.47Å; L567-G570 PolarHBondContact O-N 3.02Å; L567-G570 VanDerWaalsContact O-N 3.16Å
571	C	65.9	Low	77.5	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.3	166.1	-176.4	0	0	0	0	108.8	C559	C559-C571 HydrophobicContact CB-CB 3.9Å; C559-C571 WeakPolarHBondContact CB-SG 3.45Å; C559-C571 VanDerWaalsContact SG-CA 3.52Å; C559-C571 WeakPolarHBondContact SG-CB 3.49Å; C559-C571 CovalentContact SG-SG 2.03Å; C559-C571 PolarHBondContact SG-SG 3.07Å
572	S	66.6	Low	78.2	Confident	19 Å²	19	34.2 Å²	34.2	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	179.2	-177.8	63.4	0	0	0	0	111.3	V565	V565-S572 CarbonylContact C-O 3.55Å; V565-S572 VanDerWaalsContact CG2-O 3.22Å; V565-S572 WeakPolarHBondContact CG2-O 3.24Å; V565-S572 PolarHBondContact N-O 3.21Å; V565-S572 PolarHBondContact O-N 2.91Å
573	G	67.6	Low	78.4	Confident	33 Å²	33	32.4 Å²	32.4	34%	0.34	19%	0.192	S	C	.	.	S	Bend	trans	62.9	-164.3	-174.1	0	0	0	0	0	113.2	Q564 E577	Q564-G573 WeakPolarHBondContact CB-O 3.02Å; Q564-G573 VanDerWaalsContact CG-O 3.31Å; Q564-G573 WeakPolarHBondContact CG-O 3.03Å; G573-E577 VanDerWaalsContact CA-OE1 3.28Å; G573-E577 WeakPolarHBondContact CA-OE1 3.28Å
574	S	79.8	Confident	79	Confident	17 Å²	17	32.9 Å²	32.9	12%	0.119	20%	0.195	C	C	.	.			trans	-117.3	147.7	-175	176.2	0	0	0	0	113.2	C576 E577	S574-C576 PolarHBondContact O-N 3Å; S574-C576 PolarHBondContact OG-N 3.49Å; S574-C576 PolarHBondContact OG-SG 3.37Å; S574-E577 PolarHBondContact N-OE1 3.2Å; S574-E577 WeakPolarHBondContact O-CB 3.41Å; S574-E577 PolarHBondContact O-N 3.33Å
575	I	85.4	Confident	78.9	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.015	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-19	169.9	-164.2	66	0	0	0	113.7	A558 E562 T563 V565 E577 K578 Y579 V600 F623	A558-I575 HydrophobicContact CB-CD1 3.66Å; E562-I575 WeakPolarHBondContact O-CB 3.43Å; E562-I575 WeakPolarHBondContact O-CG1 3.36Å; T563-I575 PolarHBondContact O-N 3.46Å; T563-I575 VanDerWaalsContact O-N 3.13Å; V565-I575 HydrophobicContact CG1-CD1 4.26Å; I575-E577 VanDerWaalsContact C-N 3.28Å; I575-E577 PolarHBondContact O-N 3.36Å; I575-K578 HydrophobicContact CD1-CB 4.46Å; I575-K578 HydrophobicContact CD1-CD 3.76Å; I575-K578 WeakPolarHBondContact O-CB 3.41Å; I575-Y579 WeakPolarHBondContact O-CD2 3.29Å; I575-V600 HydrophobicContact CG2-CG1 3.97Å; I575-F623 HydrophobicContact CG1-CE1 4.03Å; I575-F623 HydrophobicContact CG2-CE1 4.09Å
576	C	87.9	Confident	78.6	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.5	169.3	-60.5	0	0	0	0	113.1	S574 K578 Y579 L581 C601 C602	S574-C576 PolarHBondContact O-N 3Å; S574-C576 PolarHBondContact OG-N 3.49Å; S574-C576 PolarHBondContact OG-SG 3.37Å; C576-K578 VanDerWaalsContact C-N 3.27Å; C576-K578 PolarHBondContact O-N 3.4Å; C576-Y579 PolarHBondContact O-N 3.07Å; C576-L581 CarbonylContact C-O 3.5Å; C576-L581 HydrophobicContact CB-CB 4.03Å; C576-L581 WeakPolarHBondContact O-CB 3.48Å; C576-L581 PolarHBondContact O-N 3.3Å; C576-L581 VanDerWaalsContact O-N 3.07Å; C576-C601 PolarHBondContact SG-O 2.72Å; C576-C602 WeakPolarHBondContact CA-SG 3.33Å; C576-C602 HydrophobicContact CB-CB 3.69Å; C576-C602 WeakPolarHBondContact CB-SG 3.47Å; C576-C602 VanDerWaalsContact SG-CA 3.5Å; C576-C602 WeakPolarHBondContact SG-CB 3.49Å; C576-C602 CovalentContact SG-SG 2.03Å; C576-C602 PolarHBondContact SG-SG 3.42Å
577	E	87.9	Confident	77.9	Confident	68 Å²	68	37.6 Å²	37.6	32%	0.318	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-67.7	-29.7	-172.3	-63.4	170.6	-133	0	0	112.3	F556 V565 G573 S574 I575 Y579 G580 L581	F556-E577 HydrophobicContact CD1-CB 4.18Å; F556-E577 HydrophobicContact CE1-CB 3.91Å; V565-E577 HydrophobicContact CG2-CB 4.43Å; G573-E577 VanDerWaalsContact CA-OE1 3.28Å; G573-E577 WeakPolarHBondContact CA-OE1 3.28Å; S574-E577 PolarHBondContact N-OE1 3.2Å; S574-E577 WeakPolarHBondContact O-CB 3.41Å; S574-E577 PolarHBondContact O-N 3.33Å; I575-E577 VanDerWaalsContact C-N 3.28Å; I575-E577 PolarHBondContact O-N 3.36Å; E577-Y579 PolarHBondContact O-N 3.28Å; E577-Y579 VanDerWaalsContact O-N 3.11Å; E577-G580 PolarHBondContact O-N 3.03Å; E577-L581 WeakPolarHBondContact CA-O 3.28Å; E577-L581 PolarHBondContact N-O 3.41Å
578	K	89.6	Confident	77.3	Confident	85 Å²	85	38.2 Å²	38.2	37%	0.37	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.6	-26.9	171.8	-176.9	177.1	-174	-176.3	0	113.7	F556 V565 I575 C576	F556-K578 HydrophobicContact CB-CB 3.95Å; F556-K578 HydrophobicContact CB-CG 3.96Å; F556-K578 VanDerWaalsContact O-CD 3.28Å; F556-K578 WeakPolarHBondContact O-CD 3.49Å; F556-K578 WeakPolarHBondContact O-CE 3.28Å; F556-K578 WeakPolarHBondContact O-CG 3.38Å; V565-K578 HydrophobicContact CG1-CB 3.94Å; I575-K578 HydrophobicContact CD1-CB 4.46Å; I575-K578 HydrophobicContact CD1-CD 3.76Å; I575-K578 WeakPolarHBondContact O-CB 3.41Å; C576-K578 VanDerWaalsContact C-N 3.27Å; C576-K578 PolarHBondContact O-N 3.4Å
579	Y	90.9	Very high	76.5	Confident	79 Å²	79	40 Å²	40	31%	0.31	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-107.9	12.9	180	-58.4	-81.1	0	0	0	112.4	I575 C576 E577 L581 F622 F623	I575-Y579 WeakPolarHBondContact O-CD2 3.29Å; C576-Y579 PolarHBondContact O-N 3.07Å; E577-Y579 PolarHBondContact O-N 3.28Å; E577-Y579 VanDerWaalsContact O-N 3.11Å; Y579-L581 PolarHBondContact O-N 3.49Å; Y579-F622 HydrophobicContact CD1-CB 3.65Å; Y579-F622 AromaticContact CD1-CD1 3.57Å; Y579-F622 HydrophobicContact CD1-CD1 3.57Å; Y579-F622 AromaticContact CD1-CG 3.94Å; Y579-F622 HydrophobicContact CD1-CG 3.94Å; Y579-F622 HydrophobicContact CD2-CB 4.31Å; Y579-F622 HydrophobicContact CE1-CB 3.98Å; Y579-F622 HydrophobicContact CE1-CD1 4.47Å; Y579-F622 VanDerWaalsContact CE1-O 3.26Å; Y579-F622 WeakPolarHBondContact CE1-O 3.42Å; Y579-F622 HydrophobicContact CG-CB 3.8Å; Y579-F622 AromaticContact CG-CD1 3.96Å; Y579-F622 HydrophobicContact CG-CD1 3.96Å; Y579-F622 HydrophobicContact CG-CG 4.02Å; Y579-F622 VanDerWaalsContact CZ-O 3.3Å; Y579-F622 PolarHBondContact OH-O 3.15Å; Y579-F623 AromaticContact CD2-CE1 3.91Å; Y579-F623 HydrophobicContact CD2-CE1 3.91Å; Y579-F623 HydrophobicContact CD2-CE2 4.07Å; Y579-F623 AromaticContact CD2-CZ 3.52Å; Y579-F623 HydrophobicContact CD2-CZ 3.52Å; Y579-F623 HydrophobicContact CE2-CD1 4.1Å; Y579-F623 AromaticContact CE2-CE1 3.54Å; Y579-F623 HydrophobicContact CE2-CE1 3.54Å; Y579-F623 HydrophobicContact CE2-CE2 4.36Å; Y579-F623 AromaticContact CE2-CZ 3.67Å; Y579-F623 HydrophobicContact CE2-CZ 3.67Å; Y579-F623 HydrophobicContact CG-CZ 4.49Å
580	G	88.8	Confident	75.5	Confident	41 Å²	41	48.2 Å²	48.2	42%	0.423	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	13	-177.1	0	0	0	0	0	114.4	E577 K605	E577-G580 PolarHBondContact O-N 3.03Å; G580-K605 WeakPolarHBondContact O-CE 3.42Å; G580-K605 WeakPolarHBondContact O-CG 3.39Å
581	L	89.9	Confident	75	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-94.4	159.9	179.6	-56.1	178.4	0	0	0	111.4	C576 E577 Y579 C602 M603 E604 L619 F622	C576-L581 CarbonylContact C-O 3.5Å; C576-L581 HydrophobicContact CB-CB 4.03Å; C576-L581 WeakPolarHBondContact O-CB 3.48Å; C576-L581 PolarHBondContact O-N 3.3Å; C576-L581 VanDerWaalsContact O-N 3.07Å; E577-L581 WeakPolarHBondContact CA-O 3.28Å; E577-L581 PolarHBondContact N-O 3.41Å; Y579-L581 PolarHBondContact O-N 3.49Å; L581-C602 HydrophobicContact CB-CB 3.9Å; L581-C602 HydrophobicContact CD1-CB 3.56Å; L581-C602 HydrophobicContact CG-CB 4.39Å; L581-M603 WeakPolarHBondContact CA-O 3.31Å; L581-M603 WeakPolarHBondContact CB-O 3.45Å; L581-E604 HydrophobicContact CD2-CG 4.17Å; L581-L619 HydrophobicContact CD1-CD2 3.96Å; L581-F622 HydrophobicContact CD1-CD2 3.77Å; L581-F622 HydrophobicContact CD1-CE2 3.76Å; L581-F622 HydrophobicContact CD2-CE2 4.06Å; L581-F622 HydrophobicContact CD2-CZ 4.44Å; L581-F622 HydrophobicContact CG-CE2 4.2Å
582	E	81.3	Confident	74.6	Confident	61 Å²	61	56.9 Å²	56.9	29%	0.285	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.9	169	-82.8	158.2	-160	0	0	110.2	C602 M603 K605 M606	E582-C602 CarbonylContact O-C 3.56Å; E582-C602 VanDerWaalsContact O-CA 3.32Å; E582-C602 WeakPolarHBondContact O-CA 3.34Å; E582-M603 HydrophobicContact CB-CE 3.72Å; E582-M603 HydrophobicContact CB-CG 3.95Å; E582-M603 PolarHBondContact N-O 2.7Å; E582-M603 PolarHBondContact O-N 3.47Å; E582-K605 HydrophobicContact CG-CG 4.08Å; E582-K605 VanDerWaalsContact OE1-CB 3.28Å; E582-K605 WeakPolarHBondContact OE1-CB 3.3Å; E582-K605 WeakPolarHBondContact OE1-CD 3.46Å; E582-K605 WeakPolarHBondContact OE1-CG 3.43Å; E582-K605 WeakPolarHBondContact OE2-CA 3.41Å; E582-M606 PolarHBondContact OE2-N 3.42Å
583	A	81.3	Confident	74.4	Confident	55 Å²	55	60.6 Å²	60.6	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.1	172.9	0	0	0	0	0	110.8
584	C	78.4	Confident	74.2	Confident	27 Å²	27	64.2 Å²	64.2	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.7	175.8	63.2	0	0	0	0	111	C601 M603 C611	C584-C601 PolarHBondContact N-O 3.07Å; C584-C601 WeakPolarHBondContact O-CB 3.47Å; C584-C601 VanDerWaalsContact SG-C 3.58Å; C584-M603 HydrophobicContact CB-CB 4.25Å; C584-M603 HydrophobicContact CB-CE 4.45Å; C584-M603 HydrophobicContact CB-CG 3.97Å; C584-M603 HydrophobicContact CB-SD 3.81Å; C584-C611 HydrophobicContact CB-CB 3.88Å; C584-C611 WeakPolarHBondContact CB-SG 3.39Å; C584-C611 WeakPolarHBondContact SG-CA 3.28Å; C584-C611 WeakPolarHBondContact SG-CB 3.26Å; C584-C611 CovalentContact SG-SG 2.03Å; C584-C611 PolarHBondContact SG-SG 2.9Å
585	T	74	Confident	73.6	Confident	36 Å²	36	65 Å²	65	22%	0.221	38%	0.378	C	S	.	.			trans	-80.1	127.8	175	46.6	0	0	0	0	110.4	A587 C611 F639	T585-A587 PolarHBondContact O-N 2.66Å; T585-C611 PolarHBondContact O-SG 3.47Å; T585-C611 VanDerWaalsContact O-SG 3.41Å; T585-F639 HydrophobicContact CG2-CD2 4.32Å; T585-F639 HydrophobicContact CG2-CE2 4.04Å
586	C	75.6	Confident	73.2	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.027	39%	0.393	C	S	.	.			trans	-61.1	134.7	169.9	-58.7	0	0	0	0	110.4	E596 L597 H599 C601	C586-E596 WeakPolarHBondContact CB-O 3.42Å; C586-E596 PolarHBondContact SG-O 3.32Å; C586-L597 WeakPolarHBondContact O-CD2 3.35Å; C586-H599 PolarHBondContact SG-O 3.2Å; C586-C601 WeakPolarHBondContact CA-SG 3.37Å; C586-C601 HydrophobicContact CB-CB 4.13Å; C586-C601 WeakPolarHBondContact CB-SG 3.21Å; C586-C601 WeakPolarHBondContact SG-CB 3.34Å; C586-C601 CovalentContact SG-SG 2.02Å; C586-C601 PolarHBondContact SG-SG 3.36Å
587	A	67.2	Low	72.6	Confident	74 Å²	74	69 Å²	69	61%	0.612	40%	0.397	S	S	*	.			trans	-119	138.4	176.8	0	0	0	0	0	109.3	T585	T585-A587 PolarHBondContact O-N 2.66Å
588	S	61.2	Low	71.9	Confident	58 Å²	58	65.7 Å²	65.7	41%	0.406	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-78	139.2	178.1	-168.1	0	0	0	0	110.1	L597	S588-L597 VanDerWaalsContact N-CD2 3.33Å
589	Q	56.5	Low	71.8	Confident	150 Å²	150	62.8 Å²	62.8	70%	0.701	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-97.6	138	158.2	-69.4	-177.3	-19.8	0	0	107.3	G591 K592	Q589-G591 PolarHBondContact O-N 2.93Å; Q589-K592 PolarHBondContact O-N 3.47Å
590	D	47.5	Very low	71.4	Confident	176 Å²	176	59.3 Å²	59.3	94%	0.941	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	121.9	-171.3	-62	-71.5	0	0	0	112.4
591	G	52.8	Low	71.3	Confident	88 Å²	88	57.7 Å²	57.7	91%	0.907	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	8.6	179.6	0	0	0	0	0	116.6	Q589	Q589-G591 PolarHBondContact O-N 2.93Å
592	K	55.7	Low	71.3	Confident	113 Å²	113	57.3 Å²	57.3	49%	0.491	34%	0.336	S	S	.	.	S	Bend	trans	-100.6	165	171.6	-85.6	-166.4	159.2	-150.9	0	114.7	Q589 E594 E596	Q589-K592 PolarHBondContact O-N 3.47Å; K592-E594 PolarHBondContact O-N 2.85Å; K592-E596 WeakPolarHBondContact CD-OE2 3.5Å; K592-E596 IonicContact NZ-OE1 3.42Å; K592-E596 PolarHBondContact NZ-OE1 3.14Å; K592-E596 VanDerWaalsContact NZ-OE1 3.12Å; K592-E596 IonicContact NZ-OE2 2.74Å; K592-E596 PolarHBondContact NZ-OE2 3.42Å
593	D	62.4	Low	71.7	Confident	96 Å²	96	55.9 Å²	55.9	51%	0.513	33%	0.33	S	S	.	.			trans	-60.4	125.4	-175.7	-164.2	-34.3	0	0	0	112	T595 E596	D593-T595 PolarHBondContact O-N 3.2Å; D593-T595 PolarHBondContact OD1-N 3.44Å; D593-T595 PolarHBondContact OD1-OG1 2.86Å; D593-T595 PolarHBondContact OD2-OG1 2.93Å; D593-E596 PolarHBondContact O-N 3.41Å
594	E	63.5	Low	72	Confident	109 Å²	109	57.2 Å²	57.2	51%	0.509	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.4	179	-63.2	-178.1	138.7	0	0	113.5	K592 L597 K648	K592-E594 PolarHBondContact O-N 2.85Å; E594-L597 WeakPolarHBondContact O-CB 3.12Å; E594-K648 IonicContact OE2-NZ 3.97Å; E594-K648 PolarHBondContact OE2-NZ 3.41Å
595	T	68.6	Low	72.1	Confident	34 Å²	34	62.2 Å²	62.2	21%	0.209	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.8	175.7	59.9	0	0	0	0	113.8	D593 L597 C598 H599 M647 K648	D593-T595 PolarHBondContact O-N 3.2Å; D593-T595 PolarHBondContact OD1-N 3.44Å; D593-T595 PolarHBondContact OD1-OG1 2.86Å; D593-T595 PolarHBondContact OD2-OG1 2.93Å; T595-L597 PolarHBondContact O-N 3.45Å; T595-L597 VanDerWaalsContact O-N 3.15Å; T595-C598 CarbonylContact O-C 3.12Å; T595-C598 PolarHBondContact O-N 2.86Å; T595-H599 PolarHBondContact O-CD2 2.8Å; T595-H599 VanDerWaalsContact O-CD2 3.24Å; T595-H599 PolarHBondContact O-NE2 2.75Å; T595-M647 WeakPolarHBondContact CA-O 3.36Å; T595-K648 HydrophobicContact CG2-CG 4.23Å
596	E	75.6	Confident	72.3	Confident	70 Å²	70	68.8 Å²	68.8	33%	0.327	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-59.6	-29.1	175.3	-76.1	-167.3	171.1	0	0	111.3	C586 K592 D593 C598 H599	C586-E596 WeakPolarHBondContact CB-O 3.42Å; C586-E596 PolarHBondContact SG-O 3.32Å; K592-E596 WeakPolarHBondContact CD-OE2 3.5Å; K592-E596 IonicContact NZ-OE1 3.42Å; K592-E596 PolarHBondContact NZ-OE1 3.14Å; K592-E596 VanDerWaalsContact NZ-OE1 3.12Å; K592-E596 IonicContact NZ-OE2 2.74Å; K592-E596 PolarHBondContact NZ-OE2 3.42Å; D593-E596 PolarHBondContact O-N 3.41Å; E596-C598 PolarHBondContact O-N 3.41Å; E596-H599 PolarHBondContact O-N 2.83Å
597	L	74.9	Confident	72.6	Confident	16 Å²	16	71.6 Å²	71.6	8%	0.084	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.1	174.5	-68.5	173.3	0	0	0	113.8	C586 S588 E594 T595 C636 N637 C649	C586-L597 WeakPolarHBondContact O-CD2 3.35Å; S588-L597 VanDerWaalsContact N-CD2 3.33Å; E594-L597 WeakPolarHBondContact O-CB 3.12Å; T595-L597 PolarHBondContact O-N 3.45Å; T595-L597 VanDerWaalsContact O-N 3.15Å; L597-C636 HydrophobicContact CB-CB 4.49Å; L597-C636 VanDerWaalsContact O-CB 3.25Å; L597-C636 WeakPolarHBondContact O-CB 3.36Å; L597-N637 HydrophobicContact CD1-CB 4.41Å; L597-N637 HydrophobicContact CD2-CB 3.99Å; L597-C649 HydrophobicContact CB-CB 3.55Å; L597-C649 HydrophobicContact CD1-CB 3.61Å; L597-C649 HydrophobicContact CG-CB 4.22Å
598	C	75.3	Confident	73.1	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-114.6	22.1	-177.6	-72.4	0	0	0	0	112.8	T595 E596 L630 C643 M647	T595-C598 CarbonylContact O-C 3.12Å; T595-C598 PolarHBondContact O-N 2.86Å; E596-C598 PolarHBondContact O-N 3.41Å; C598-L630 WeakPolarHBondContact O-CB 3.42Å; C598-L630 PolarHBondContact O-N 3.32Å; C598-C643 WeakPolarHBondContact CA-SG 3.48Å; C598-C643 HydrophobicContact CB-CB 3.89Å; C598-C643 WeakPolarHBondContact CB-SG 3.27Å; C598-C643 WeakPolarHBondContact SG-CA 3.49Å; C598-C643 WeakPolarHBondContact SG-CB 3.39Å; C598-C643 CovalentContact SG-SG 2.03Å; C598-C643 PolarHBondContact SG-SG 3.47Å; C598-M647 HydrophobicContact CB-CB 4.26Å; C598-M647 WeakPolarHBondContact CB-O 3.48Å
599	H	86.6	Confident	74.1	Confident	24 Å²	24	76.3 Å²	76.3	11%	0.111	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-86.4	157.9	162.9	-60.1	172.5	0	0	0	109.9	C586 T595 E596 C601 S613 V627 L630	C586-H599 PolarHBondContact SG-O 3.2Å; T595-H599 PolarHBondContact O-CD2 2.8Å; T595-H599 VanDerWaalsContact O-CD2 3.24Å; T595-H599 PolarHBondContact O-NE2 2.75Å; E596-H599 PolarHBondContact O-N 2.83Å; H599-C601 PolarHBondContact O-N 2.88Å; H599-S613 WeakPolarHBondContact CB-OG 3.32Å; H599-S613 PolarHBondContact ND1-OG 3.42Å; H599-V627 WeakPolarHBondContact NE2-CG1 3.32Å; H599-L630 VanDerWaalsContact O-CD1 3.31Å; H599-L630 WeakPolarHBondContact O-CD1 3.1Å; H599-L630 WeakPolarHBondContact O-CG 3.22Å
600	V	82.8	Confident	75.5	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.036	38%	0.376	C	S	.	.			trans	-64.5	121.2	159.9	176.2	0	0	0	0	106.7	I575 T614 T628 L630	I575-V600 HydrophobicContact CG2-CG1 3.97Å; V600-T614 HydrophobicContact CB-CG2 3.92Å; V600-T614 HydrophobicContact CG1-CG2 3.95Å; V600-T614 WeakPolarHBondContact O-CG2 3.41Å; V600-T614 PolarHBondContact O-N 3.1Å; V600-T614 PolarHBondContact O-OG1 2.92Å; V600-T628 HydrophobicContact CB-CG2 4.34Å; V600-T628 HydrophobicContact CG2-CG2 3.71Å; V600-T628 PolarHBondContact N-O 3.41Å; V600-L630 HydrophobicContact CG2-CD2 3.99Å; V600-L630 HydrophobicContact CG2-CG 4.15Å
601	C	87.2	Confident	77.4	Confident	7 Å²	7	63 Å²	63	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.3	169.1	-82.1	0	0	0	0	110.7	C576 C584 C586 H599 S612 S613	C576-C601 PolarHBondContact SG-O 2.72Å; C584-C601 PolarHBondContact N-O 3.07Å; C584-C601 WeakPolarHBondContact O-CB 3.47Å; C584-C601 VanDerWaalsContact SG-C 3.58Å; C586-C601 WeakPolarHBondContact CA-SG 3.37Å; C586-C601 HydrophobicContact CB-CB 4.13Å; C586-C601 WeakPolarHBondContact CB-SG 3.21Å; C586-C601 WeakPolarHBondContact SG-CB 3.34Å; C586-C601 CovalentContact SG-SG 2.02Å; C586-C601 PolarHBondContact SG-SG 3.36Å; H599-C601 PolarHBondContact O-N 2.88Å; C601-S612 CarbonylContact C-O 3.32Å; C601-S612 VanDerWaalsContact CA-O 3.23Å; C601-S612 WeakPolarHBondContact CA-O 3.16Å; C601-S612 WeakPolarHBondContact CB-O 3.38Å; C601-S613 WeakPolarHBondContact SG-CA 3.26Å; C601-S613 PolarHBondContact SG-N 2.89Å
602	C	89.6	Confident	79.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.8	174.6	-48.7	0	0	0	0	110.5	C576 L581 E582 C611 S612 L619	C576-C602 WeakPolarHBondContact CA-SG 3.33Å; C576-C602 HydrophobicContact CB-CB 3.69Å; C576-C602 WeakPolarHBondContact CB-SG 3.47Å; C576-C602 VanDerWaalsContact SG-CA 3.5Å; C576-C602 WeakPolarHBondContact SG-CB 3.49Å; C576-C602 CovalentContact SG-SG 2.03Å; C576-C602 PolarHBondContact SG-SG 3.42Å; L581-C602 HydrophobicContact CB-CB 3.9Å; L581-C602 HydrophobicContact CD1-CB 3.56Å; L581-C602 HydrophobicContact CG-CB 4.39Å; E582-C602 CarbonylContact O-C 3.56Å; E582-C602 VanDerWaalsContact O-CA 3.32Å; E582-C602 WeakPolarHBondContact O-CA 3.34Å; C602-C611 WeakPolarHBondContact O-CA 3.28Å; C602-S612 PolarHBondContact N-O 2.88Å; C602-S612 PolarHBondContact O-N 3.43Å; C602-L619 HydrophobicContact CB-CD1 3.69Å
603	M	88.4	Confident	80.7	Confident	31 Å²	31	55 Å²	55	15%	0.153	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.2	173.6	64.1	-177.4	179	0	0	110.6	L581 E582 C584 P608 C611	L581-M603 WeakPolarHBondContact CA-O 3.31Å; L581-M603 WeakPolarHBondContact CB-O 3.45Å; E582-M603 HydrophobicContact CB-CE 3.72Å; E582-M603 HydrophobicContact CB-CG 3.95Å; E582-M603 PolarHBondContact N-O 2.7Å; E582-M603 PolarHBondContact O-N 3.47Å; C584-M603 HydrophobicContact CB-CB 4.25Å; C584-M603 HydrophobicContact CB-CE 4.45Å; C584-M603 HydrophobicContact CB-CG 3.97Å; C584-M603 HydrophobicContact CB-SD 3.81Å; M603-P608 HydrophobicContact SD-CB 4.46Å; M603-P608 HydrophobicContact SD-CG 4.46Å; M603-C611 HydrophobicContact CB-CB 4.18Å
604	E	88	Confident	81.9	Confident	83 Å²	83	50.4 Å²	50.4	39%	0.388	26%	0.262	S	S	.	.			trans	-65.7	144.7	165.2	-59.5	-175.2	153.2	0	0	109.3	L581 M606 N607 T610 R621	L581-E604 HydrophobicContact CD2-CG 4.17Å; E604-M606 PolarHBondContact O-N 3.36Å; E604-N607 HydrophobicContact CB-CB 4.44Å; E604-N607 PolarHBondContact O-N 2.71Å; E604-T610 HydrophobicContact CB-CG2 4.28Å; E604-T610 HydrophobicContact CG-CG2 4.25Å; E604-T610 PolarHBondContact N-OG1 2.63Å; E604-R621 IonicContact OE1-NH2 3.61Å; E604-R621 PolarHBondContact OE1-NH2 2.93Å
605	K	81.4	Confident	83	Confident	131 Å²	131	46.2 Å²	46.2	57%	0.57	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132.9	-168.8	-61.7	-157.6	175.2	-164.8	0	112.4	G580 E582 N607	G580-K605 WeakPolarHBondContact O-CE 3.42Å; G580-K605 WeakPolarHBondContact O-CG 3.39Å; E582-K605 HydrophobicContact CG-CG 4.08Å; E582-K605 VanDerWaalsContact OE1-CB 3.28Å; E582-K605 WeakPolarHBondContact OE1-CB 3.3Å; E582-K605 WeakPolarHBondContact OE1-CD 3.46Å; E582-K605 WeakPolarHBondContact OE1-CG 3.43Å; E582-K605 WeakPolarHBondContact OE2-CA 3.41Å; K605-N607 PolarHBondContact O-N 2.94Å; K605-N607 VanDerWaalsContact O-N 3.16Å
606	M	76.5	Confident	83.9	Confident	174 Å²	174	46.1 Å²	46.1	86%	0.857	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	15.3	-175.6	-57.9	176.1	54.7	0	0	115.9	E582 E604 P608	E582-M606 PolarHBondContact OE2-N 3.42Å; E604-M606 PolarHBondContact O-N 3.36Å; M606-P608 WeakPolarHBondContact O-CD 3.45Å
607	N	82.3	Confident	84.5	Confident	64 Å²	64	49.3 Å²	49.3	34%	0.342	26%	0.264	S	S	.	.			trans	-124.8	78.3	-175.9	-169.3	-4.2	0	0	0	113.4	E604 K605 N609 T610	E604-N607 HydrophobicContact CB-CB 4.44Å; E604-N607 PolarHBondContact O-N 2.71Å; K605-N607 PolarHBondContact O-N 2.94Å; K605-N607 VanDerWaalsContact O-N 3.16Å; N607-N609 PolarHBondContact O-N 3.2Å; N607-T610 HydrophobicContact CB-CG2 4.24Å; N607-T610 VanDerWaalsContact ND2-CG2 3.31Å; N607-T610 WeakPolarHBondContact ND2-CG2 3.22Å; N607-T610 PolarHBondContact O-N 3.42Å; N607-T610 PolarHBondContact O-OG1 3.42Å
608	P	77.3	Confident	85	Confident	88 Å²	88	54.8 Å²	54.8	57%	0.571	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-54.3	-30.9	-176.5	-28.3	36.2	0	0	0	115.2	M603 M606 T610 C611	M603-P608 HydrophobicContact SD-CB 4.46Å; M603-P608 HydrophobicContact SD-CG 4.46Å; M606-P608 WeakPolarHBondContact O-CD 3.45Å; P608-T610 PolarHBondContact O-N 3.37Å; P608-C611 VanDerWaalsContact O-CB 3.22Å; P608-C611 WeakPolarHBondContact O-CB 3.39Å; P608-C611 PolarHBondContact O-N 2.91Å
609	N	82.6	Confident	85.7	Confident	142 Å²	142	55.1 Å²	55.1	76%	0.759	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-66.6	-7.7	178.7	-60.9	-22.3	0	0	0	113.6	N607 R618	N607-N609 PolarHBondContact O-N 3.2Å; N609-R618 PolarHBondContact O-NH1 2.66Å; N609-R618 PolarHBondContact O-NH2 3.06Å
610	T	87.3	Confident	85.8	Confident	12 Å²	12	54.9 Å²	54.9	7%	0.074	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-94.1	-7.6	173.1	62.8	0	0	0	0	114.2	E604 N607 P608 S612 R618	E604-T610 HydrophobicContact CB-CG2 4.28Å; E604-T610 HydrophobicContact CG-CG2 4.25Å; E604-T610 PolarHBondContact N-OG1 2.63Å; N607-T610 HydrophobicContact CB-CG2 4.24Å; N607-T610 VanDerWaalsContact ND2-CG2 3.31Å; N607-T610 WeakPolarHBondContact ND2-CG2 3.22Å; N607-T610 PolarHBondContact O-N 3.42Å; N607-T610 PolarHBondContact O-OG1 3.42Å; P608-T610 PolarHBondContact O-N 3.37Å; T610-S612 PolarHBondContact O-N 3.2Å; T610-S612 PolarHBondContact O-OG 3.11Å; T610-R618 PolarHBondContact O-NH1 2.96Å
611	C	86.5	Confident	86.2	Confident	35 Å²	35	62.4 Å²	62.4	24%	0.236	32%	0.315	C	S	.	.			trans	-52.8	125.4	-178.9	-172.1	0	0	0	0	111.7	C584 T585 C602 M603 P608	C584-C611 HydrophobicContact CB-CB 3.88Å; C584-C611 WeakPolarHBondContact CB-SG 3.39Å; C584-C611 WeakPolarHBondContact SG-CA 3.28Å; C584-C611 WeakPolarHBondContact SG-CB 3.26Å; C584-C611 CovalentContact SG-SG 2.03Å; C584-C611 PolarHBondContact SG-SG 2.9Å; T585-C611 PolarHBondContact O-SG 3.47Å; T585-C611 VanDerWaalsContact O-SG 3.41Å; C602-C611 WeakPolarHBondContact O-CA 3.28Å; M603-C611 HydrophobicContact CB-CB 4.18Å; P608-C611 VanDerWaalsContact O-CB 3.22Å; P608-C611 WeakPolarHBondContact O-CB 3.39Å; P608-C611 PolarHBondContact O-N 2.91Å
612	S	88.4	Confident	86.2	Confident	23 Å²	23	64.2 Å²	64.2	16%	0.161	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154.6	-178.1	-65.1	0	0	0	0	110.8	C601 C602 T610 S616 R618 L619	C601-S612 CarbonylContact C-O 3.32Å; C601-S612 VanDerWaalsContact CA-O 3.23Å; C601-S612 WeakPolarHBondContact CA-O 3.16Å; C601-S612 WeakPolarHBondContact CB-O 3.38Å; C602-S612 PolarHBondContact N-O 2.88Å; C602-S612 PolarHBondContact O-N 3.43Å; T610-S612 PolarHBondContact O-N 3.2Å; T610-S612 PolarHBondContact O-OG 3.11Å; S612-S616 WeakPolarHBondContact CB-OG 3.33Å; S612-R618 WeakPolarHBondContact OG-CD 3.37Å; S612-R618 PolarHBondContact OG-NH1 3.06Å; S612-L619 WeakPolarHBondContact O-CD1 3.31Å
613	S	88.9	Confident	86.1	Confident	10 Å²	10	64.9 Å²	64.9	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.6	-179.4	173	0	0	0	0	112	H599 C601 G615 S616	H599-S613 WeakPolarHBondContact CB-OG 3.32Å; H599-S613 PolarHBondContact ND1-OG 3.42Å; C601-S613 WeakPolarHBondContact SG-CA 3.26Å; C601-S613 PolarHBondContact SG-N 2.89Å; S613-G615 PolarHBondContact O-N 3.07Å; S613-G615 PolarHBondContact OG-N 3.42Å; S613-S616 WeakPolarHBondContact O-CB 3.38Å; S613-S616 PolarHBondContact O-N 3.41Å; S613-S616 PolarHBondContact O-OG 3.29Å
614	T	88.3	Confident	86.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-37.4	168	43.2	0	0	0	0	113.2	V600 S616 F623 K626 T628	V600-T614 HydrophobicContact CB-CG2 3.92Å; V600-T614 HydrophobicContact CG1-CG2 3.95Å; V600-T614 WeakPolarHBondContact O-CG2 3.41Å; V600-T614 PolarHBondContact O-N 3.1Å; V600-T614 PolarHBondContact O-OG1 2.92Å; T614-S616 VanDerWaalsContact C-N 3.3Å; T614-S616 PolarHBondContact O-N 2.8Å; T614-F623 HydrophobicContact CG2-CD1 3.69Å; T614-F623 HydrophobicContact CG2-CD2 3.89Å; T614-F623 HydrophobicContact CG2-CE1 3.63Å; T614-F623 HydrophobicContact CG2-CE2 3.86Å; T614-F623 HydrophobicContact CG2-CG 3.82Å; T614-F623 HydrophobicContact CG2-CZ 3.73Å; T614-F623 WeakPolarHBondContact O-CB 3.49Å; T614-K626 CarbonylContact C-O 3.4Å; T614-T628 PolarHBondContact OG1-N 2.77Å; T614-T628 VanDerWaalsContact OG1-N 3.08Å; T614-T628 PolarHBondContact OG1-O 2.94Å
615	G	86.6	Confident	86	Confident	20 Å²	20	69.5 Å²	69.5	21%	0.206	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.1	175.9	0	0	0	0	0	115.6	S613 K626	S613-G615 PolarHBondContact O-N 3.07Å; S613-G615 PolarHBondContact OG-N 3.42Å; G615-K626 PolarHBondContact N-O 3.37Å
616	S	87.6	Confident	86.2	Confident	32 Å²	32	68 Å²	68	22%	0.224	35%	0.35	C	S	.	.	S	Bend	trans	-75.2	155	-174.4	72.8	0	0	0	0	113.5	S612 S613 T614 R618 L619 A620	S612-S616 WeakPolarHBondContact CB-OG 3.33Å; S613-S616 WeakPolarHBondContact O-CB 3.38Å; S613-S616 PolarHBondContact O-N 3.41Å; S613-S616 PolarHBondContact O-OG 3.29Å; T614-S616 VanDerWaalsContact C-N 3.3Å; T614-S616 PolarHBondContact O-N 2.8Å; S616-R618 PolarHBondContact O-N 3.36Å; S616-R618 VanDerWaalsContact O-N 3.14Å; S616-L619 CarbonylContact O-C 3.53Å; S616-L619 PolarHBondContact O-N 2.96Å; S616-L619 VanDerWaalsContact O-N 3.09Å; S616-A620 PolarHBondContact O-N 3.16Å
617	E	87.5	Confident	86.7	Confident	138 Å²	138	63 Å²	63	65%	0.645	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.6	174.2	-153.9	65.3	-144.3	0	0	112.5	L619 A620 K625	E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.37Å; E617-A620 VanDerWaalsContact O-CB 3.28Å; E617-A620 WeakPolarHBondContact O-CB 3.28Å; E617-A620 PolarHBondContact O-N 2.74Å; E617-K625 VanDerWaalsContact OE1-CE 3.23Å; E617-K625 WeakPolarHBondContact OE1-CE 3.32Å; E617-K625 IonicContact OE1-NZ 2.74Å; E617-K625 PolarHBondContact OE1-NZ 2.6Å; E617-K625 VanDerWaalsContact OE2-CE 3.3Å; E617-K625 WeakPolarHBondContact OE2-CE 3.38Å; E617-K625 IonicContact OE2-NZ 2.71Å; E617-K625 PolarHBondContact OE2-NZ 2.93Å
618	R	86.6	Confident	86.7	Confident	130 Å²	130	60.5 Å²	60.5	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.8	-178.9	-160.7	-177.3	-151.9	164.9	3.2	113	N609 T610 S612 S616	N609-R618 PolarHBondContact O-NH1 2.66Å; N609-R618 PolarHBondContact O-NH2 3.06Å; T610-R618 PolarHBondContact O-NH1 2.96Å; S612-R618 WeakPolarHBondContact OG-CD 3.37Å; S612-R618 PolarHBondContact OG-NH1 3.06Å; S616-R618 PolarHBondContact O-N 3.36Å; S616-R618 VanDerWaalsContact O-N 3.14Å
619	L	88.9	Confident	86.8	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.8	179.6	-57.6	-169.4	0	0	0	113.2	L581 C602 S612 S616 E617 R621 F622 F623	L581-L619 HydrophobicContact CD1-CD2 3.96Å; C602-L619 HydrophobicContact CB-CD1 3.69Å; S612-L619 WeakPolarHBondContact O-CD1 3.31Å; S616-L619 CarbonylContact O-C 3.53Å; S616-L619 PolarHBondContact O-N 2.96Å; S616-L619 VanDerWaalsContact O-N 3.09Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.37Å; L619-R621 PolarHBondContact O-N 3.31Å; L619-R621 VanDerWaalsContact O-N 3.1Å; L619-F622 HydrophobicContact CD2-CD2 4.19Å; L619-F622 HydrophobicContact CD2-CE2 4.44Å; L619-F622 PolarHBondContact O-N 3.46Å; L619-F623 HydrophobicContact CB-CD2 4.01Å; L619-F623 HydrophobicContact CB-CE2 4.47Å; L619-F623 HydrophobicContact CD1-CE2 4.35Å; L619-F623 PolarHBondContact O-N 3.04Å; L619-F623 VanDerWaalsContact O-N 3.09Å
620	A	89.3	Confident	85.8	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-53.4	-32	176.2	0	0	0	0	0	113.1	S616 E617 F622 S624 K625	S616-A620 PolarHBondContact O-N 3.16Å; E617-A620 VanDerWaalsContact O-CB 3.28Å; E617-A620 WeakPolarHBondContact O-CB 3.28Å; E617-A620 PolarHBondContact O-N 2.74Å; A620-F622 PolarHBondContact O-N 3.21Å; A620-S624 VanDerWaalsContact O-CA 3.27Å; A620-S624 WeakPolarHBondContact O-CA 3.44Å; A620-S624 PolarHBondContact O-N 3.4Å; A620-K625 HydrophobicContact CB-CD 4.38Å; A620-K625 HydrophobicContact CB-CG 3.59Å
621	R	90.1	Very high	84.2	Confident	164 Å²	164	53.8 Å²	53.8	62%	0.619	28%	0.278	S	S	*	.	H	α-helix	trans	-63.2	-16.4	175.1	64.8	170.3	170.1	156.4	-3.2	115.2	E604 L619	E604-R621 IonicContact OE1-NH2 3.61Å; E604-R621 PolarHBondContact OE1-NH2 2.93Å; L619-R621 PolarHBondContact O-N 3.31Å; L619-R621 VanDerWaalsContact O-N 3.1Å
622	F	88.1	Confident	82.5	Confident	44 Å²	44	52.8 Å²	52.8	19%	0.193	27%	0.272	C	S	.	.	H	α-helix	trans	-113.9	-44.1	-176.9	-61	-55.7	0	0	0	112.2	Y579 L581 L619 A620	Y579-F622 HydrophobicContact CD1-CB 3.65Å; Y579-F622 AromaticContact CD1-CD1 3.57Å; Y579-F622 HydrophobicContact CD1-CD1 3.57Å; Y579-F622 AromaticContact CD1-CG 3.94Å; Y579-F622 HydrophobicContact CD1-CG 3.94Å; Y579-F622 HydrophobicContact CD2-CB 4.31Å; Y579-F622 HydrophobicContact CE1-CB 3.98Å; Y579-F622 HydrophobicContact CE1-CD1 4.47Å; Y579-F622 VanDerWaalsContact CE1-O 3.26Å; Y579-F622 WeakPolarHBondContact CE1-O 3.42Å; Y579-F622 HydrophobicContact CG-CB 3.8Å; Y579-F622 AromaticContact CG-CD1 3.96Å; Y579-F622 HydrophobicContact CG-CD1 3.96Å; Y579-F622 HydrophobicContact CG-CG 4.02Å; Y579-F622 VanDerWaalsContact CZ-O 3.3Å; Y579-F622 PolarHBondContact OH-O 3.15Å; L581-F622 HydrophobicContact CD1-CD2 3.77Å; L581-F622 HydrophobicContact CD1-CE2 3.76Å; L581-F622 HydrophobicContact CD2-CE2 4.06Å; L581-F622 HydrophobicContact CD2-CZ 4.44Å; L581-F622 HydrophobicContact CG-CE2 4.2Å; L619-F622 HydrophobicContact CD2-CD2 4.19Å; L619-F622 HydrophobicContact CD2-CE2 4.44Å; L619-F622 PolarHBondContact O-N 3.46Å; A620-F622 PolarHBondContact O-N 3.21Å
623	F	88.1	Confident	80.5	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-108.5	1.9	-173.3	-59.4	-88	0	0	0	113.5	I575 Y579 T614 L619 K625 K626	I575-F623 HydrophobicContact CG1-CE1 4.03Å; I575-F623 HydrophobicContact CG2-CE1 4.09Å; Y579-F623 AromaticContact CD2-CE1 3.91Å; Y579-F623 HydrophobicContact CD2-CE1 3.91Å; Y579-F623 HydrophobicContact CD2-CE2 4.07Å; Y579-F623 AromaticContact CD2-CZ 3.52Å; Y579-F623 HydrophobicContact CD2-CZ 3.52Å; Y579-F623 HydrophobicContact CE2-CD1 4.1Å; Y579-F623 AromaticContact CE2-CE1 3.54Å; Y579-F623 HydrophobicContact CE2-CE1 3.54Å; Y579-F623 HydrophobicContact CE2-CE2 4.36Å; Y579-F623 AromaticContact CE2-CZ 3.67Å; Y579-F623 HydrophobicContact CE2-CZ 3.67Å; Y579-F623 HydrophobicContact CG-CZ 4.49Å; T614-F623 HydrophobicContact CG2-CD1 3.69Å; T614-F623 HydrophobicContact CG2-CD2 3.89Å; T614-F623 HydrophobicContact CG2-CE1 3.63Å; T614-F623 HydrophobicContact CG2-CE2 3.86Å; T614-F623 HydrophobicContact CG2-CG 3.82Å; T614-F623 HydrophobicContact CG2-CZ 3.73Å; T614-F623 WeakPolarHBondContact O-CB 3.49Å; L619-F623 HydrophobicContact CB-CD2 4.01Å; L619-F623 HydrophobicContact CB-CE2 4.47Å; L619-F623 HydrophobicContact CD1-CE2 4.35Å; L619-F623 PolarHBondContact O-N 3.04Å; L619-F623 VanDerWaalsContact O-N 3.09Å; F623-K625 PolarHBondContact O-N 3.21Å; F623-K625 VanDerWaalsContact O-N 3.16Å; F623-K626 WeakPolarHBondContact O-CB 3.5Å; F623-K626 PolarHBondContact O-N 3.08Å
624	S	88.8	Confident	78.6	Confident	109 Å²	109	51.7 Å²	51.7	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.7	-179.2	-56.8	0	0	0	0	114.2	A620 K626	A620-S624 VanDerWaalsContact O-CA 3.27Å; A620-S624 WeakPolarHBondContact O-CA 3.44Å; A620-S624 PolarHBondContact O-N 3.4Å; S624-K626 PolarHBondContact O-N 2.82Å
625	K	85.4	Confident	76.8	Confident	103 Å²	103	52.6 Å²	52.6	45%	0.448	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	14.5	-172	-47.5	-174.8	-168.8	-166.7	0	114.8	E617 A620 F623 V627	E617-K625 VanDerWaalsContact OE1-CE 3.23Å; E617-K625 WeakPolarHBondContact OE1-CE 3.32Å; E617-K625 IonicContact OE1-NZ 2.74Å; E617-K625 PolarHBondContact OE1-NZ 2.6Å; E617-K625 VanDerWaalsContact OE2-CE 3.3Å; E617-K625 WeakPolarHBondContact OE2-CE 3.38Å; E617-K625 IonicContact OE2-NZ 2.71Å; E617-K625 PolarHBondContact OE2-NZ 2.93Å; A620-K625 HydrophobicContact CB-CD 4.38Å; A620-K625 HydrophobicContact CB-CG 3.59Å; F623-K625 PolarHBondContact O-N 3.21Å; F623-K625 VanDerWaalsContact O-N 3.16Å; K625-V627 PolarHBondContact O-N 3.08Å
626	K	85.8	Confident	75.5	Confident	99 Å²	99	51.6 Å²	51.6	43%	0.43	26%	0.26	S	S	.	.			trans	-63.6	116.7	168.4	-173.7	176.9	179.6	176.3	0	108.7	E562 T614 G615 F623 S624 T628	E562-K626 IonicContact OE1-NZ 2.68Å; E562-K626 PolarHBondContact OE1-NZ 3.24Å; E562-K626 IonicContact OE2-NZ 2.59Å; E562-K626 PolarHBondContact OE2-NZ 3.11Å; T614-K626 CarbonylContact C-O 3.4Å; G615-K626 PolarHBondContact N-O 3.37Å; F623-K626 WeakPolarHBondContact O-CB 3.5Å; F623-K626 PolarHBondContact O-N 3.08Å; S624-K626 PolarHBondContact O-N 2.82Å; K626-T628 PolarHBondContact O-N 3.11Å; K626-T628 VanDerWaalsContact O-N 3.15Å
627	V	85.8	Confident	74.4	Confident	70 Å²	70	51.9 Å²	51.9	42%	0.424	26%	0.259	S	S	.	.			trans	-71.6	103.8	167.9	176.6	0	0	0	0	107.5	H599 K625 T629	H599-V627 WeakPolarHBondContact NE2-CG1 3.32Å; K625-V627 PolarHBondContact O-N 3.08Å; V627-T629 HydrophobicContact CG1-CG2 4.07Å
628	T	82.6	Confident	73.2	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	25%	0.251	C	S	.	.			trans	-84.6	110.3	162	-58.5	0	0	0	0	106.7	T563 V600 T614 K626	T563-T628 HydrophobicContact CG2-CG2 3.86Å; V600-T628 HydrophobicContact CB-CG2 4.34Å; V600-T628 HydrophobicContact CG2-CG2 3.71Å; V600-T628 PolarHBondContact N-O 3.41Å; T614-T628 PolarHBondContact OG1-N 2.77Å; T614-T628 VanDerWaalsContact OG1-N 3.08Å; T614-T628 PolarHBondContact OG1-O 2.94Å; K626-T628 PolarHBondContact O-N 3.11Å; K626-T628 VanDerWaalsContact O-N 3.15Å
629	T	79.4	Confident	71.6	Confident	53 Å²	53	48.2 Å²	48.2	33%	0.325	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-71.7	140.7	175.2	50.4	0	0	0	0	110.5	V627 M647	V627-T629 HydrophobicContact CG1-CG2 4.07Å; T629-M647 HydrophobicContact CG2-CE 4.45Å; T629-M647 HydrophobicContact CG2-CG 4.02Å; T629-M647 HydrophobicContact CG2-SD 4.16Å
630	L	62.3	Low	69.9	Low	34 Å²	34	53.4 Å²	53.4	18%	0.178	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-62.6	147.3	156.1	-80.6	172	0	0	0	108.5	C598 H599 V600 M647	C598-L630 WeakPolarHBondContact O-CB 3.42Å; C598-L630 PolarHBondContact O-N 3.32Å; H599-L630 VanDerWaalsContact O-CD1 3.31Å; H599-L630 WeakPolarHBondContact O-CD1 3.1Å; H599-L630 WeakPolarHBondContact O-CG 3.22Å; V600-L630 HydrophobicContact CG2-CD2 3.99Å; V600-L630 HydrophobicContact CG2-CG 4.15Å; L630-M647 VanDerWaalsContact O-SD 3.37Å
631	P	54.1	Low	68.1	Low	14 Å²	14	52.5 Å²	52.5	9%	0.091	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71.4	165.5	-178.5	36.8	-44.3	0	0	0	111.9	Y25 R26 G633 S634	Y25-P631 CarbonylContact O-C 3.33Å; R26-P631 HydrophobicContact CB-CB 3.86Å; R26-P631 HydrophobicContact CB-CG 3.62Å; R26-P631 HydrophobicContact CG-CB 4.05Å; R26-P631 HydrophobicContact CG-CG 4.22Å; R26-P631 VanDerWaalsContact NE-CG 3.3Å; P631-G633 PolarHBondContact O-N 3.38Å; P631-S634 WeakPolarHBondContact CD-OG 3.17Å; P631-S634 WeakPolarHBondContact CG-OG 3.25Å; P631-S634 PolarHBondContact O-N 2.97Å; P631-S634 VanDerWaalsContact O-N 3.07Å
632	A	50	Low	66.4	Low	15 Å²	15	48.2 Å²	48.2	12%	0.124	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	73.6	-176.8	0	0	0	0	0	114.4	Y25 N27 C643 V645	Y25-A632 CarbonylContact C-O 3.44Å; Y25-A632 CarbonylContact O-C 3.54Å; Y25-A632 VanDerWaalsContact O-CA 3.27Å; Y25-A632 WeakPolarHBondContact O-CA 3.4Å; Y25-A632 PolarHBondContact O-N 3.36Å; N27-A632 PolarHBondContact ND2-O 2.95Å; A632-C643 CarbonylContact C-O 3.59Å; A632-V645 HydrophobicContact CB-CB 4.32Å; A632-V645 HydrophobicContact CB-CG1 3.72Å
633	G	45.8	Very low	64.7	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	157.8	-21.5	173.8	0	0	0	0	0	114.4	R26 N27 P28 P631 Y642 C643	R26-G633 CarbonylContact O-C 3.39Å; R26-G633 VanDerWaalsContact O-C 3.28Å; R26-G633 VanDerWaalsContact O-CA 3.31Å; R26-G633 WeakPolarHBondContact O-CA 3.34Å; R26-G633 PolarHBondContact O-N 3.34Å; N27-G633 VanDerWaalsContact CA-C 3.44Å; N27-G633 VanDerWaalsContact CA-CA 3.47Å; N27-G633 WeakPolarHBondContact CA-O 3.44Å; N27-G633 WeakPolarHBondContact ND2-CA 3.21Å; P28-G633 WeakPolarHBondContact CD-O 3.11Å; P631-G633 PolarHBondContact O-N 3.38Å; G633-Y642 WeakPolarHBondContact O-CA 3.11Å; G633-Y642 VanDerWaalsContact O-CB 3.3Å; G633-Y642 WeakPolarHBondContact O-CB 3.36Å; G633-Y642 WeakPolarHBondContact O-CD1 3.31Å; G633-C643 WeakPolarHBondContact CA-O 3.1Å; G633-C643 PolarHBondContact N-O 2.98Å; G633-C643 PolarHBondContact O-N 3.1Å
634	S	50.3	Low	63.2	Low	9 Å²	9	46.8 Å²	46.8	6%	0.063	24%	0.243	C	C	.	.			trans	-59.6	153.3	-162.6	-89.5	0	0	0	0	113.6	R26 P631 C636 C643	R26-S634 PolarHBondContact O-N 3.2Å; R26-S634 PolarHBondContact O-OG 2.83Å; P631-S634 WeakPolarHBondContact CD-OG 3.17Å; P631-S634 WeakPolarHBondContact CG-OG 3.25Å; P631-S634 PolarHBondContact O-N 2.97Å; P631-S634 VanDerWaalsContact O-N 3.07Å; S634-C636 PolarHBondContact O-N 3.33Å; S634-C643 PolarHBondContact O-N 2.04Å; S634-C643 VanDerWaalsContact O-N 3.11Å; S634-C643 PolarHBondContact O-SG 2.99Å; S634-C643 VanDerWaalsContact O-SG 3.39Å
635	P	50.3	Low	61.7	Low	19 Å²	19	45.5 Å²	45.5	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.3	-168.4	25.5	-27.4	0	0	0	109.8	P28 F639	P28-P635 HydrophobicContact CG-CB 3.74Å; P28-P635 HydrophobicContact CG-CG 3.83Å; P635-F639 HydrophobicContact CB-CD1 3.39Å; P635-F639 HydrophobicContact CB-CE1 3.6Å; P635-F639 HydrophobicContact CB-CG 4.14Å; P635-F639 HydrophobicContact CB-CZ 4.48Å; P635-F639 HydrophobicContact CG-CD1 4.02Å; P635-F639 HydrophobicContact CG-CE1 3.66Å; P635-F639 HydrophobicContact CG-CZ 4.39Å
636	C	59.6	Low	60.9	Low	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.3	-173.7	62.2	0	0	0	0	111	L597 S634 D638 F639 K640 G641 Y642 C649	L597-C636 HydrophobicContact CB-CB 4.49Å; L597-C636 VanDerWaalsContact O-CB 3.25Å; L597-C636 WeakPolarHBondContact O-CB 3.36Å; S634-C636 PolarHBondContact O-N 3.33Å; C636-D638 PolarHBondContact O-N 2.83Å; C636-F639 PolarHBondContact O-N 3.29Å; C636-K640 PolarHBondContact O-N 3.41Å; C636-G641 PolarHBondContact N-O 3.1Å; C636-G641 PolarHBondContact O-N 2.83Å; C636-G641 VanDerWaalsContact O-N 3.1Å; C636-G641 PolarHBondContact SG-O 3.4Å; C636-G641 VanDerWaalsContact SG-O 3.39Å; C636-Y642 PolarHBondContact SG-N 3.18Å; C636-Y642 VanDerWaalsContact SG-N 3.43Å; C636-C649 VanDerWaalsContact C-SG 3.57Å; C636-C649 HydrophobicContact CB-CB 3.79Å; C636-C649 WeakPolarHBondContact CB-SG 3.31Å; C636-C649 WeakPolarHBondContact SG-CA 3.22Å; C636-C649 WeakPolarHBondContact SG-CB 3.46Å; C636-C649 CovalentContact SG-SG 2.03Å; C636-C649 PolarHBondContact SG-SG 2.88Å
637	N	64.4	Low	60.1	Low	38 Å²	38	45.8 Å²	45.8	20%	0.203	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	53.4	-175.5	-166.7	25.8	0	0	0	112.9	L597 K640 L651	L597-N637 HydrophobicContact CD1-CB 4.41Å; L597-N637 HydrophobicContact CD2-CB 3.99Å; N637-K640 VanDerWaalsContact O-CB 3.29Å; N637-K640 WeakPolarHBondContact O-CB 3.41Å; N637-K640 WeakPolarHBondContact O-CD 3.47Å; N637-K640 WeakPolarHBondContact O-CG 3.33Å; N637-K640 PolarHBondContact O-N 3.4Å; N637-L651 HydrophobicContact CB-CD2 3.93Å; N637-L651 WeakPolarHBondContact ND2-CD2 3.41Å
638	D	62.3	Low	59.3	Low	89 Å²	89	45.9 Å²	45.9	48%	0.476	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	55.2	-178.9	-170.5	35.5	0	0	0	113.2	C636 K640	C636-D638 PolarHBondContact O-N 2.83Å; D638-K640 PolarHBondContact O-N 2.83Å; D638-K640 IonicContact OD2-NZ 3.42Å
639	F	53.1	Low	58.4	Low	101 Å²	101	46.2 Å²	46.2	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	6.2	-178.5	-57.7	-94.3	0	0	0	115.8	T585 P635 C636 G641	T585-F639 HydrophobicContact CG2-CD2 4.32Å; T585-F639 HydrophobicContact CG2-CE2 4.04Å; P635-F639 HydrophobicContact CB-CD1 3.39Å; P635-F639 HydrophobicContact CB-CE1 3.6Å; P635-F639 HydrophobicContact CB-CG 4.14Å; P635-F639 HydrophobicContact CB-CZ 4.48Å; P635-F639 HydrophobicContact CG-CD1 4.02Å; P635-F639 HydrophobicContact CG-CE1 3.66Å; P635-F639 HydrophobicContact CG-CZ 4.39Å; C636-F639 PolarHBondContact O-N 3.29Å; F639-G641 PolarHBondContact O-N 2.56Å
640	K	52.6	Low	57.6	Low	117 Å²	117	50.4 Å²	50.4	51%	0.509	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7	176.1	-61.5	161.9	-163.4	154.9	0	112.8	C636 N637 D638 L651 V652	C636-K640 PolarHBondContact O-N 3.41Å; N637-K640 VanDerWaalsContact O-CB 3.29Å; N637-K640 WeakPolarHBondContact O-CB 3.41Å; N637-K640 WeakPolarHBondContact O-CD 3.47Å; N637-K640 WeakPolarHBondContact O-CG 3.33Å; N637-K640 PolarHBondContact O-N 3.4Å; D638-K640 PolarHBondContact O-N 2.83Å; D638-K640 IonicContact OD2-NZ 3.42Å; K640-L651 HydrophobicContact CB-CD2 4.32Å; K640-L651 CarbonylContact O-C 3.51Å; K640-L651 VanDerWaalsContact O-CA 3.27Å; K640-L651 WeakPolarHBondContact O-CA 3.23Å; K640-V652 PolarHBondContact O-N 3.14Å
641	G	52.2	Low	57.2	Low	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	172.9	179	0	0	0	0	0	114.8	C636 F639 R650	C636-G641 PolarHBondContact N-O 3.1Å; C636-G641 PolarHBondContact O-N 2.83Å; C636-G641 VanDerWaalsContact O-N 3.1Å; C636-G641 PolarHBondContact SG-O 3.4Å; C636-G641 VanDerWaalsContact SG-O 3.39Å; F639-G641 PolarHBondContact O-N 2.56Å; G641-R650 CarbonylContact C-O 3.56Å; G641-R650 WeakPolarHBondContact CA-O 3.31Å
642	Y	52.8	Low	56.9	Low	74 Å²	74	56.6 Å²	56.6	29%	0.29	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.9	174.2	-59	-53.6	0	0	0	110.1	P28 G633 C636 R650 V652	P28-Y642 HydrophobicContact CB-CE1 4.06Å; P28-Y642 HydrophobicContact CG-CD1 3.99Å; P28-Y642 HydrophobicContact CG-CE1 3.71Å; G633-Y642 WeakPolarHBondContact O-CA 3.11Å; G633-Y642 VanDerWaalsContact O-CB 3.3Å; G633-Y642 WeakPolarHBondContact O-CB 3.36Å; G633-Y642 WeakPolarHBondContact O-CD1 3.31Å; C636-Y642 PolarHBondContact SG-N 3.18Å; C636-Y642 VanDerWaalsContact SG-N 3.43Å; Y642-R650 PolarHBondContact N-O 2.94Å; Y642-R650 WeakPolarHBondContact O-CB 3.16Å; Y642-R650 PolarHBondContact O-N 3.37Å; Y642-V652 HydrophobicContact CD2-CG2 3.42Å; Y642-V652 VanDerWaalsContact CD2-CG2 3.42Å; Y642-V652 HydrophobicContact CE2-CG2 3.32Å; Y642-V652 HydrophobicContact CG-CG2 4.28Å
643	C	54.2	Low	56.6	Low	4 Å²	4	61 Å²	61	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.3	172.5	-63.7	0	0	0	0	111.6	C598 A632 G633 S634 K648	C598-C643 WeakPolarHBondContact CA-SG 3.48Å; C598-C643 HydrophobicContact CB-CB 3.89Å; C598-C643 WeakPolarHBondContact CB-SG 3.27Å; C598-C643 WeakPolarHBondContact SG-CA 3.49Å; C598-C643 WeakPolarHBondContact SG-CB 3.39Å; C598-C643 CovalentContact SG-SG 2.03Å; C598-C643 PolarHBondContact SG-SG 3.47Å; A632-C643 CarbonylContact C-O 3.59Å; G633-C643 WeakPolarHBondContact CA-O 3.1Å; G633-C643 PolarHBondContact N-O 2.98Å; G633-C643 PolarHBondContact O-N 3.1Å; S634-C643 PolarHBondContact O-N 2.04Å; S634-C643 VanDerWaalsContact O-N 3.11Å; S634-C643 PolarHBondContact O-SG 2.99Å; S634-C643 VanDerWaalsContact O-SG 3.39Å; C643-K648 CarbonylContact C-O 3.54Å; C643-K648 WeakPolarHBondContact CA-O 3.34Å
644	D	55.8	Low	56.3	Low	25 Å²	25	65.4 Å²	65.4	13%	0.134	33%	0.333	C	S	.	.			trans	-95.5	179	168.4	70.7	10.9	0	0	0	112.3	F646 M647 K648 R650	D644-F646 PolarHBondContact O-N 3.01Å; D644-F646 VanDerWaalsContact O-N 3.13Å; D644-F646 VanDerWaalsContact OD1-C 3.25Å; D644-F646 VanDerWaalsContact OD1-CA 3.28Å; D644-F646 WeakPolarHBondContact OD1-CA 3.27Å; D644-F646 WeakPolarHBondContact OD1-CB 3.08Å; D644-F646 PolarHBondContact OD1-N 3.36Å; D644-M647 PolarHBondContact O-N 3.26Å; D644-M647 PolarHBondContact OD1-N 3.06Å; D644-K648 PolarHBondContact N-O 3.3Å; D644-K648 PolarHBondContact OD1-N 2.83Å; D644-R650 HydrophobicContact CB-CG 4.06Å; D644-R650 IonicContact OD2-CZ 3.27Å; D644-R650 IonicContact OD2-NE 3.78Å; D644-R650 PolarHBondContact OD2-NE 3.47Å; D644-R650 IonicContact OD2-NH2 3.97Å; D644-R650 PolarHBondContact OD2-NH2 2.86Å
645	V	57.7	Low	56	Low	82 Å²	82	67.1 Å²	67.1	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.6	176.1	-64.6	0	0	0	0	113.8	A632	A632-V645 HydrophobicContact CB-CB 4.32Å; A632-V645 HydrophobicContact CB-CG1 3.72Å
646	F	67.1	Low	55.8	Low	155 Å²	155	68 Å²	68	68%	0.68	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	14.5	174.8	-49.2	-70.4	0	0	0	111.9	D644 K648	D644-F646 PolarHBondContact O-N 3.01Å; D644-F646 VanDerWaalsContact O-N 3.13Å; D644-F646 VanDerWaalsContact OD1-C 3.25Å; D644-F646 VanDerWaalsContact OD1-CA 3.28Å; D644-F646 WeakPolarHBondContact OD1-CA 3.27Å; D644-F646 WeakPolarHBondContact OD1-CB 3.08Å; D644-F646 PolarHBondContact OD1-N 3.36Å; F646-K648 PolarHBondContact O-N 3.03Å
647	M	70.8	Confident	55.4	Low	53 Å²	53	73.6 Å²	73.6	26%	0.261	39%	0.391	S	S	.	.	S	Bend	trans	58.8	27	-178.3	-49.7	-57.4	169.7	0	0	113.9	T595 C598 T629 L630 D644	T595-M647 WeakPolarHBondContact CA-O 3.36Å; C598-M647 HydrophobicContact CB-CB 4.26Å; C598-M647 WeakPolarHBondContact CB-O 3.48Å; T629-M647 HydrophobicContact CG2-CE 4.45Å; T629-M647 HydrophobicContact CG2-CG 4.02Å; T629-M647 HydrophobicContact CG2-SD 4.16Å; L630-M647 VanDerWaalsContact O-SD 3.37Å; D644-M647 PolarHBondContact O-N 3.26Å; D644-M647 PolarHBondContact OD1-N 3.06Å
648	K	68.8	Low	54.5	Low	71 Å²	71	78.6 Å²	78.6	31%	0.309	42%	0.416	S	S	.	.			trans	-98.1	135.5	173.7	-76.1	-174.7	169.1	-110.2	0	111.5	E594 T595 C643 D644 F646 R650	E594-K648 IonicContact OE2-NZ 3.97Å; E594-K648 PolarHBondContact OE2-NZ 3.41Å; T595-K648 HydrophobicContact CG2-CG 4.23Å; C643-K648 CarbonylContact C-O 3.54Å; C643-K648 WeakPolarHBondContact CA-O 3.34Å; D644-K648 PolarHBondContact N-O 3.3Å; D644-K648 PolarHBondContact OD1-N 2.83Å; F646-K648 PolarHBondContact O-N 3.03Å; K648-R650 PolarHBondContact O-N 2.73Å
649	C	63.6	Low	53.8	Low	17 Å²	17	75.7 Å²	75.7	12%	0.115	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	104.7	177	-173.1	0	0	0	0	111.7	L597 C636 L651	L597-C649 HydrophobicContact CB-CB 3.55Å; L597-C649 HydrophobicContact CD1-CB 3.61Å; L597-C649 HydrophobicContact CG-CB 4.22Å; C636-C649 VanDerWaalsContact C-SG 3.57Å; C636-C649 HydrophobicContact CB-CB 3.79Å; C636-C649 WeakPolarHBondContact CB-SG 3.31Å; C636-C649 WeakPolarHBondContact SG-CA 3.22Å; C636-C649 WeakPolarHBondContact SG-CB 3.46Å; C636-C649 CovalentContact SG-SG 2.03Å; C636-C649 PolarHBondContact SG-SG 2.88Å; C649-L651 PolarHBondContact O-N 2.85Å
650	R	62.1	Low	53.8	Low	141 Å²	141	78.5 Å²	78.5	53%	0.532	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	104	175.6	-58.3	-57.9	-179	164.6	-0.8	109.6	G641 Y642 D644 K648	G641-R650 CarbonylContact C-O 3.56Å; G641-R650 WeakPolarHBondContact CA-O 3.31Å; Y642-R650 PolarHBondContact N-O 2.94Å; Y642-R650 WeakPolarHBondContact O-CB 3.16Å; Y642-R650 PolarHBondContact O-N 3.37Å; D644-R650 HydrophobicContact CB-CG 4.06Å; D644-R650 IonicContact OD2-CZ 3.27Å; D644-R650 IonicContact OD2-NE 3.78Å; D644-R650 PolarHBondContact OD2-NE 3.47Å; D644-R650 IonicContact OD2-NH2 3.97Å; D644-R650 PolarHBondContact OD2-NH2 2.86Å; K648-R650 PolarHBondContact O-N 2.73Å
651	L	54	Low	53.9	Low	106 Å²	106	77.4 Å²	77.4	56%	0.555	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	138	177.4	-55.2	-176.5	0	0	0	111.1	N637 K640 C649 D653	N637-L651 HydrophobicContact CB-CD2 3.93Å; N637-L651 WeakPolarHBondContact ND2-CD2 3.41Å; K640-L651 HydrophobicContact CB-CD2 4.32Å; K640-L651 CarbonylContact O-C 3.51Å; K640-L651 VanDerWaalsContact O-CA 3.27Å; K640-L651 WeakPolarHBondContact O-CA 3.23Å; C649-L651 PolarHBondContact O-N 2.85Å; L651-D653 PolarHBondContact O-N 2.91Å
652	V	47.7	Very low	53.9	Low	72 Å²	72	84.1 Å²	84.1	44%	0.436	44%	0.441	S	S	.	.			trans	-92.7	95.2	-179.1	-179.8	0	0	0	0	108	K640 Y642 A654	K640-V652 PolarHBondContact O-N 3.14Å; Y642-V652 HydrophobicContact CD2-CG2 3.42Å; Y642-V652 VanDerWaalsContact CD2-CG2 3.42Å; Y642-V652 HydrophobicContact CE2-CG2 3.32Å; Y642-V652 HydrophobicContact CG-CG2 4.28Å; V652-A654 VanDerWaalsContact C-N 3.27Å; V652-A654 PolarHBondContact O-N 3.44Å
653	D	43.2	Very low	54	Low	108 Å²	108	87.1 Å²	87.1	58%	0.578	46%	0.455	S	S	*	.			trans	-73.2	84.7	175.4	-156.6	10	0	0	0	109.1	L651 D655	L651-D653 PolarHBondContact O-N 2.91Å; D653-D655 PolarHBondContact O-N 3.38Å; D653-D655 VanDerWaalsContact O-N 3.15Å
654	A	39.9	Very low	54.1	Low	92 Å²	92	90.7 Å²	90.7	76%	0.76	49%	0.486	S	S	*	.			trans	-67.2	-7.4	-178.4	0	0	0	0	0	113.3	V652 G656	V652-A654 VanDerWaalsContact C-N 3.27Å; V652-A654 PolarHBondContact O-N 3.44Å; A654-G656 PolarHBondContact O-N 3.32Å
655	D	45.1	Very low	54.2	Low	45 Å²	45	93.8 Å²	93.8	24%	0.241	50%	0.501	C	S	.	.			trans	-68.4	94.2	170.9	-82.5	-17.2	0	0	0	110.7	D653 A659 R660 K663	D653-D655 PolarHBondContact O-N 3.38Å; D653-D655 VanDerWaalsContact O-N 3.15Å; D655-A659 HydrophobicContact CB-CB 3.69Å; D655-A659 WeakPolarHBondContact OD1-CB 3.14Å; D655-R660 HydrophobicContact CB-CG 4.1Å; D655-R660 WeakPolarHBondContact O-CG 3.3Å; D655-K663 WeakPolarHBondContact OD2-CD 3.36Å; D655-K663 WeakPolarHBondContact OD2-CE 3.27Å; D655-K663 IonicContact OD2-NZ 3.25Å; D655-K663 PolarHBondContact OD2-NZ 3.31Å
656	G	45.3	Very low	54	Low	38 Å²	38	95 Å²	95	39%	0.392	50%	0.5	S	S	.	.			trans	-54.8	167.4	167.4	0	0	0	0	0	112.4	A654 L658 A659 R660	A654-G656 PolarHBondContact O-N 3.32Å; G656-L658 PolarHBondContact O-N 2.81Å; G656-A659 WeakPolarHBondContact O-CA 3.31Å; G656-A659 WeakPolarHBondContact O-CB 3.4Å; G656-A659 PolarHBondContact O-N 2.86Å; G656-R660 PolarHBondContact O-N 3.5Å; G656-R660 VanDerWaalsContact O-N 3.09Å
657	P	50.6	Low	53.6	Low	118 Å²	118	90.4 Å²	90.4	77%	0.766	48%	0.482	S	S	*	.	H	α-helix	trans	-55.8	-29.1	-171.2	20.4	-32.8	0	0	0	114.1	L661	P657-L661 WeakPolarHBondContact O-CB 3.34Å; P657-L661 PolarHBondContact O-N 3.49Å
658	L	46	Very low	53	Low	142 Å²	142	92.3 Å²	92.3	74%	0.743	50%	0.499	S	S	*	.	H	α-helix	trans	-69.9	-34.2	174.2	-168.4	68.9	0	0	0	113.3	G656 K662	G656-L658 PolarHBondContact O-N 2.81Å; L658-K662 WeakPolarHBondContact O-CB 3.44Å; L658-K662 PolarHBondContact O-N 3.34Å
659	A	48.1	Very low	52.7	Low	29 Å²	29	95.1 Å²	95.1	24%	0.24	51%	0.513	C	S	.	.	H	α-helix	trans	-76.9	-36.3	176.2	0	0	0	0	0	111.7	D655 G656 L661 K662 K663	D655-A659 HydrophobicContact CB-CB 3.69Å; D655-A659 WeakPolarHBondContact OD1-CB 3.14Å; G656-A659 WeakPolarHBondContact O-CA 3.31Å; G656-A659 WeakPolarHBondContact O-CB 3.4Å; G656-A659 PolarHBondContact O-N 2.86Å; A659-L661 VanDerWaalsContact C-N 3.34Å; A659-K662 WeakPolarHBondContact O-CB 3.38Å; A659-K662 PolarHBondContact O-N 3.5Å; A659-K663 PolarHBondContact O-N 3.44Å
660	R	51.9	Low	52.4	Low	160 Å²	160	98.6 Å²	98.6	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-61.7	-42.1	168.6	-58.3	-175	76.5	-177.6	5.5	111.2	D655 G656 K663 A664	D655-R660 HydrophobicContact CB-CG 4.1Å; D655-R660 WeakPolarHBondContact O-CG 3.3Å; G656-R660 PolarHBondContact O-N 3.5Å; G656-R660 VanDerWaalsContact O-N 3.09Å; R660-K663 PolarHBondContact O-N 3.03Å; R660-A664 VanDerWaalsContact O-CB 3.29Å; R660-A664 WeakPolarHBondContact O-CB 3.48Å; R660-A664 PolarHBondContact O-N 3.31Å
661	L	54.5	Low	52.2	Low	94 Å²	94	98.2 Å²	98.2	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-42.8	171.4	-167.2	77.5	0	0	0	111.7	P657 A659 A664 I665	P657-L661 WeakPolarHBondContact O-CB 3.34Å; P657-L661 PolarHBondContact O-N 3.49Å; A659-L661 VanDerWaalsContact C-N 3.34Å; L661-A664 PolarHBondContact O-N 3.44Å; L661-I665 HydrophobicContact CD1-CD1 4.02Å; L661-I665 HydrophobicContact CD2-CD1 4.2Å; L661-I665 HydrophobicContact CG-CD1 3.73Å; L661-I665 HydrophobicContact CG-CG1 4.38Å; L661-I665 WeakPolarHBondContact O-CB 3.35Å; L661-I665 WeakPolarHBondContact O-CG1 3.38Å; L661-I665 PolarHBondContact O-N 2.86Å
662	K	52.2	Low	52.5	Low	140 Å²	140	100.3 Å²	100.3	61%	0.609	54%	0.536	S	S	*	.	H	α-helix	trans	-60.8	-47	177	-169	-172.7	178.8	-174.2	0	111.7	L658 A659 F666	L658-K662 WeakPolarHBondContact O-CB 3.44Å; L658-K662 PolarHBondContact O-N 3.34Å; A659-K662 WeakPolarHBondContact O-CB 3.38Å; A659-K662 PolarHBondContact O-N 3.5Å; K662-F666 HydrophobicContact CG-CD2 3.91Å; K662-F666 WeakPolarHBondContact O-CA 3.47Å; K662-F666 VanDerWaalsContact O-CB 3.29Å; K662-F666 WeakPolarHBondContact O-CB 3.26Å; K662-F666 WeakPolarHBondContact O-CD2 3.39Å; K662-F666 PolarHBondContact O-N 3.06Å
663	K	54.5	Low	53.3	Low	137 Å²	137	102 Å²	102	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-65.7	-35.6	175.8	-78.9	179.4	173	170.4	0	112.6	D655 A659 R660 N667	D655-K663 WeakPolarHBondContact OD2-CD 3.36Å; D655-K663 WeakPolarHBondContact OD2-CE 3.27Å; D655-K663 IonicContact OD2-NZ 3.25Å; D655-K663 PolarHBondContact OD2-NZ 3.31Å; A659-K663 PolarHBondContact O-N 3.44Å; R660-K663 PolarHBondContact O-N 3.03Å; K663-N667 PolarHBondContact O-N 3.35Å
664	A	57.5	Low	54.4	Low	80 Å²	80	100.6 Å²	100.6	66%	0.661	54%	0.535	S	S	*	.	H	α-helix	trans	-73.1	-33.3	178	0	0	0	0	0	113.8	R660 L661	R660-A664 VanDerWaalsContact O-CB 3.29Å; R660-A664 WeakPolarHBondContact O-CB 3.48Å; R660-A664 PolarHBondContact O-N 3.31Å; L661-A664 PolarHBondContact O-N 3.44Å
665	I	57.2	Low	55.6	Low	90 Å²	90	98.8 Å²	98.8	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-86.8	-33.8	177.9	-65.5	178.2	0	0	0	111.7	L661	L661-I665 HydrophobicContact CD1-CD1 4.02Å; L661-I665 HydrophobicContact CD2-CD1 4.2Å; L661-I665 HydrophobicContact CG-CD1 3.73Å; L661-I665 HydrophobicContact CG-CG1 4.38Å; L661-I665 WeakPolarHBondContact O-CB 3.35Å; L661-I665 WeakPolarHBondContact O-CG1 3.38Å; L661-I665 PolarHBondContact O-N 2.86Å
666	F	53.3	Low	56.9	Low	108 Å²	108	103.5 Å²	103.5	47%	0.474	54%	0.54	S	S	.	.	S	Bend	trans	-122.2	49.8	-173.7	-53.1	-67.1	0	0	0	111.7	K662 Y671	K662-F666 HydrophobicContact CG-CD2 3.91Å; K662-F666 WeakPolarHBondContact O-CA 3.47Å; K662-F666 VanDerWaalsContact O-CB 3.29Å; K662-F666 WeakPolarHBondContact O-CB 3.26Å; K662-F666 WeakPolarHBondContact O-CD2 3.39Å; K662-F666 PolarHBondContact O-N 3.06Å; F666-Y671 HydrophobicContact CB-CE2 4.15Å; F666-Y671 HydrophobicContact CD1-CE2 4.15Å; F666-Y671 VanDerWaalsContact CD1-OH 3.28Å; F666-Y671 WeakPolarHBondContact CD1-OH 3.22Å
667	N	60.2	Low	58.3	Low	57 Å²	57	107.7 Å²	107.7	31%	0.305	54%	0.544	S	S	.	.			trans	-67	124.3	171.6	-175	13.3	0	0	0	109.3	K663 E669 L670	K663-N667 PolarHBondContact O-N 3.35Å; N667-E669 PolarHBondContact ND2-OE2 3.2Å; N667-E669 PolarHBondContact O-N 2.9Å; N667-L670 HydrophobicContact CB-CB 4.37Å; N667-L670 WeakPolarHBondContact O-CB 3.38Å; N667-L670 PolarHBondContact O-N 3.22Å
668	P	58.3	Low	59.4	Low	94 Å²	94	105.8 Å²	105.8	61%	0.61	53%	0.527	S	S	*	.	H	α-helix	trans	-56.4	-34.3	179.6	19.4	-33.3	0	0	0	114	L670 Y671 E672	P668-L670 PolarHBondContact O-N 2.96Å; P668-Y671 WeakPolarHBondContact O-CB 3.43Å; P668-Y671 PolarHBondContact O-N 3.38Å; P668-E672 PolarHBondContact O-N 3.11Å
669	E	60.8	Low	60.9	Low	130 Å²	130	104.4 Å²	104.4	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-59.7	-29.9	175.5	-58	172.6	140.5	0	0	112.4	N667 N673	N667-E669 PolarHBondContact ND2-OE2 3.2Å; N667-E669 PolarHBondContact O-N 2.9Å; E669-N673 PolarHBondContact O-N 3.49Å; E669-N673 PolarHBondContact O-ND2 3.31Å
670	L	57.3	Low	62.3	Low	90 Å²	90	106 Å²	106	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-72.4	-32.1	176.6	-157.7	76	0	0	0	111.3	N667 P668 I674	N667-L670 HydrophobicContact CB-CB 4.37Å; N667-L670 WeakPolarHBondContact O-CB 3.38Å; N667-L670 PolarHBondContact O-N 3.22Å; P668-L670 PolarHBondContact O-N 2.96Å; L670-I674 HydrophobicContact CD2-CD1 4.27Å; L670-I674 HydrophobicContact CG-CD1 4Å; L670-I674 WeakPolarHBondContact O-CB 3.48Å; L670-I674 WeakPolarHBondContact O-CD1 3.34Å; L670-I674 WeakPolarHBondContact O-CG1 3.22Å; L670-I674 PolarHBondContact O-N 2.83Å
671	Y	58.3	Low	63.7	Low	133 Å²	133	101.7 Å²	101.7	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-71.8	-40.2	180	-85.9	-77.9	0	0	0	112.9	F666 P668 I674 A675	F666-Y671 HydrophobicContact CB-CE2 4.15Å; F666-Y671 HydrophobicContact CD1-CE2 4.15Å; F666-Y671 VanDerWaalsContact CD1-OH 3.28Å; F666-Y671 WeakPolarHBondContact CD1-OH 3.22Å; P668-Y671 WeakPolarHBondContact O-CB 3.43Å; P668-Y671 PolarHBondContact O-N 3.38Å; Y671-I674 PolarHBondContact O-N 3.4Å; Y671-A675 WeakPolarHBondContact O-CB 3.37Å; Y671-A675 PolarHBondContact O-N 3.08Å
672	E	61	Low	65.1	Low	149 Å²	149	105 Å²	105	70%	0.696	53%	0.53	S	S	*	.	H	α-helix	trans	-67.2	-44.6	175.7	-62	-163.3	149.4	0	0	110.7	P668 I674 A675 E676	P668-E672 PolarHBondContact O-N 3.11Å; E672-I674 VanDerWaalsContact C-N 3.32Å; E672-I674 PolarHBondContact O-N 2.84Å; E672-A675 PolarHBondContact O-N 2.65Å; E672-A675 VanDerWaalsContact O-N 3.14Å; E672-E676 PolarHBondContact O-N 3.45Å
673	N	63.9	Low	66.6	Low	107 Å²	107	104.8 Å²	104.8	57%	0.572	53%	0.525	S	S	*	.	H	α-helix	trans	-57.2	-41.3	172.3	-84.8	-87.3	0	0	0	112.9	E669 W677	E669-N673 PolarHBondContact O-N 3.49Å; E669-N673 PolarHBondContact O-ND2 3.31Å; N673-W677 WeakPolarHBondContact O-CB 3.2Å; N673-W677 PolarHBondContact O-N 3.05Å
674	I	66.9	Low	67.8	Low	80 Å²	80	99.2 Å²	99.2	41%	0.41	51%	0.505	S	S	.	.	H	α-helix	trans	-69	-38.5	176.7	-73.9	166.4	0	0	0	111.3	L670 Y671 E672 W677 I678	L670-I674 HydrophobicContact CD2-CD1 4.27Å; L670-I674 HydrophobicContact CG-CD1 4Å; L670-I674 WeakPolarHBondContact O-CB 3.48Å; L670-I674 WeakPolarHBondContact O-CD1 3.34Å; L670-I674 WeakPolarHBondContact O-CG1 3.22Å; L670-I674 PolarHBondContact O-N 2.83Å; Y671-I674 PolarHBondContact O-N 3.4Å; E672-I674 VanDerWaalsContact C-N 3.32Å; E672-I674 PolarHBondContact O-N 2.84Å; I674-W677 PolarHBondContact O-N 3.26Å; I674-I678 HydrophobicContact CG2-CD1 3.69Å; I674-I678 HydrophobicContact CG2-CG1 4.33Å; I674-I678 WeakPolarHBondContact O-CB 3.35Å; I674-I678 WeakPolarHBondContact O-CG1 3.41Å; I674-I678 PolarHBondContact O-N 2.81Å
675	A	64.4	Low	68.9	Low	53 Å²	53	98.5 Å²	98.5	44%	0.438	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-48.2	177.1	0	0	0	0	0	111.6	Y671 E672 W677 I678 V679	Y671-A675 WeakPolarHBondContact O-CB 3.37Å; Y671-A675 PolarHBondContact O-N 3.08Å; E672-A675 PolarHBondContact O-N 2.65Å; E672-A675 VanDerWaalsContact O-N 3.14Å; A675-W677 PolarHBondContact O-N 3.19Å; A675-I678 PolarHBondContact O-N 3.02Å; A675-V679 WeakPolarHBondContact O-CG2 3.39Å; A675-V679 PolarHBondContact O-N 2.99Å
676	E	72.8	Confident	70.1	Confident	144 Å²	144	98.6 Å²	98.6	67%	0.673	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-41.3	174.7	-68.3	-166.2	150.4	0	0	111.9	E672 I678 V679 A680	E672-E676 PolarHBondContact O-N 3.45Å; E676-I678 PolarHBondContact O-N 3.4Å; E676-V679 PolarHBondContact O-N 2.89Å; E676-A680 WeakPolarHBondContact O-CB 3.4Å; E676-A680 PolarHBondContact O-N 3.04Å
677	W	74.8	Confident	71.6	Confident	127 Å²	127	98.3 Å²	98.3	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.5	-175.2	88.9	0	0	0	112.6	N673 I674 A675 V679 A680 H681 V685	N673-W677 WeakPolarHBondContact O-CB 3.2Å; N673-W677 PolarHBondContact O-N 3.05Å; I674-W677 PolarHBondContact O-N 3.26Å; A675-W677 PolarHBondContact O-N 3.19Å; W677-V679 VanDerWaalsContact C-N 3.34Å; W677-A680 PolarHBondContact O-N 2.82Å; W677-H681 AromaticContact CD1-CE1 3.92Å; W677-H681 AromaticContact CD1-ND1 3.46Å; W677-H681 HydrophobicContact CD2-CB 4.28Å; W677-H681 AromaticContact CE2-CG 3.92Å; W677-H681 AromaticContact CE2-ND1 3.85Å; W677-H681 AromaticContact CG-ND1 3.96Å; W677-H681 HydrophobicContact CH2-CB 4.31Å; W677-H681 HydrophobicContact CZ2-CB 3.96Å; W677-H681 AromaticContact NE1-CE1 3.8Å; W677-H681 AromaticContact NE1-CG 3.8Å; W677-H681 AromaticContact NE1-ND1 3.36Å; W677-H681 PolarHBondContact NE1-ND1 2.92Å; W677-H681 WeakPolarHBondContact O-CB 3.21Å; W677-H681 PolarHBondContact O-N 2.93Å; W677-H681 PolarHBondContact O-ND1 3.25Å; W677-V685 HydrophobicContact CZ3-CG2 3.97Å
678	I	74.3	Confident	72.8	Confident	77 Å²	77	102.4 Å²	102.4	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-38.4	175.4	-73.6	168.3	0	0	0	111	I674 A675 E676 W682 V685	I674-I678 HydrophobicContact CG2-CD1 3.69Å; I674-I678 HydrophobicContact CG2-CG1 4.33Å; I674-I678 WeakPolarHBondContact O-CB 3.35Å; I674-I678 WeakPolarHBondContact O-CG1 3.41Å; I674-I678 PolarHBondContact O-N 2.81Å; A675-I678 PolarHBondContact O-N 3.02Å; E676-I678 PolarHBondContact O-N 3.4Å; I678-W682 WeakPolarHBondContact O-CA 3.18Å; I678-W682 WeakPolarHBondContact O-CB 3.46Å; I678-W682 PolarHBondContact O-N 3.39Å; I678-V685 HydrophobicContact CG1-CG2 4.3Å
679	V	76.4	Confident	74.1	Confident	114 Å²	114	99.5 Å²	99.5	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-43.4	175.2	172.5	0	0	0	0	111.1	A675 E676 W677	A675-V679 WeakPolarHBondContact O-CG2 3.39Å; A675-V679 PolarHBondContact O-N 2.99Å; E676-V679 PolarHBondContact O-N 2.89Å; W677-V679 VanDerWaalsContact C-N 3.34Å
680	A	77	Confident	75.3	Confident	61 Å²	61	97.4 Å²	97.4	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-70	-34.7	178.9	0	0	0	0	0	113.7	E676 W677	E676-A680 WeakPolarHBondContact O-CB 3.4Å; E676-A680 PolarHBondContact O-N 3.04Å; W677-A680 PolarHBondContact O-N 2.82Å
681	H	81.1	Confident	76.5	Confident	71 Å²	71	96 Å²	96	33%	0.329	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	31.6	-173.7	-59.4	86.4	0	0	0	113	W677 W683 A684 V685	W677-H681 AromaticContact CD1-CE1 3.92Å; W677-H681 AromaticContact CD1-ND1 3.46Å; W677-H681 HydrophobicContact CD2-CB 4.28Å; W677-H681 AromaticContact CE2-CG 3.92Å; W677-H681 AromaticContact CE2-ND1 3.85Å; W677-H681 AromaticContact CG-ND1 3.96Å; W677-H681 HydrophobicContact CH2-CB 4.31Å; W677-H681 HydrophobicContact CZ2-CB 3.96Å; W677-H681 AromaticContact NE1-CE1 3.8Å; W677-H681 AromaticContact NE1-CG 3.8Å; W677-H681 AromaticContact NE1-ND1 3.36Å; W677-H681 PolarHBondContact NE1-ND1 2.92Å; W677-H681 WeakPolarHBondContact O-CB 3.21Å; W677-H681 PolarHBondContact O-N 2.93Å; W677-H681 PolarHBondContact O-ND1 3.25Å; H681-W683 AromaticContact CD2-CZ2 3.95Å; H681-W683 PolarHBondContact O-N 2.86Å; H681-A684 HydrophobicContact CB-CB 4.29Å; H681-A684 WeakPolarHBondContact O-CB 3.15Å; H681-A684 PolarHBondContact O-N 3.16Å; H681-V685 PolarHBondContact O-N 3.33Å
682	W	84	Confident	77.9	Confident	163 Å²	163	94.7 Å²	94.7	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-51	-34.8	-179	67.3	-91.3	0	0	0	113.3	I678 A684 V685 L686	I678-W682 WeakPolarHBondContact O-CA 3.18Å; I678-W682 WeakPolarHBondContact O-CB 3.46Å; I678-W682 PolarHBondContact O-N 3.39Å; W682-A684 VanDerWaalsContact C-N 3.34Å; W682-A684 PolarHBondContact O-N 2.91Å; W682-V685 PolarHBondContact O-N 2.81Å; W682-L686 HydrophobicContact CE3-CD1 4.14Å; W682-L686 HydrophobicContact CZ3-CD1 3.89Å; W682-L686 WeakPolarHBondContact O-CB 3.36Å; W682-L686 PolarHBondContact O-N 2.93Å
683	W	84.4	Confident	79.1	Confident	135 Å²	135	92.7 Å²	92.7	51%	0.511	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-33.8	176.5	58.9	-93	0	0	0	112.9	H681 L686 L687	H681-W683 AromaticContact CD2-CZ2 3.95Å; H681-W683 PolarHBondContact O-N 2.86Å; W683-L686 PolarHBondContact O-N 3.3Å; W683-L687 HydrophobicContact CE3-CD1 4.05Å; W683-L687 HydrophobicContact CZ3-CD1 4.36Å; W683-L687 WeakPolarHBondContact O-CB 3.37Å; W683-L687 WeakPolarHBondContact O-CG 3.48Å; W683-L687 PolarHBondContact O-N 3.49Å
684	A	79.4	Confident	80	Confident	21 Å²	21	93.9 Å²	93.9	17%	0.174	49%	0.493	C	S	.	.	H	α-helix	trans	-73.3	-38.4	176.9	0	0	0	0	0	111.2	H681 W682 L686 L687 M688	H681-A684 HydrophobicContact CB-CB 4.29Å; H681-A684 WeakPolarHBondContact O-CB 3.15Å; H681-A684 PolarHBondContact O-N 3.16Å; W682-A684 VanDerWaalsContact C-N 3.34Å; W682-A684 PolarHBondContact O-N 2.91Å; A684-L686 VanDerWaalsContact C-N 3.33Å; A684-L687 PolarHBondContact O-N 2.93Å; A684-M688 WeakPolarHBondContact O-CB 3.29Å; A684-M688 WeakPolarHBondContact O-CG 3.38Å; A684-M688 PolarHBondContact O-N 3.39Å
685	V	81.7	Confident	80.9	Confident	64 Å²	64	96 Å²	96	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-41.5	172.3	-176.5	0	0	0	0	110.6	W677 I678 H681 W682 M688 G689	W677-V685 HydrophobicContact CZ3-CG2 3.97Å; I678-V685 HydrophobicContact CG1-CG2 4.3Å; H681-V685 PolarHBondContact O-N 3.33Å; W682-V685 PolarHBondContact O-N 2.81Å; V685-M688 PolarHBondContact O-N 3.35Å; V685-G689 PolarHBondContact O-N 3.43Å
686	L	81.9	Confident	81.7	Confident	92 Å²	92	98.2 Å²	98.2	48%	0.482	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-42.9	177.4	-154.6	162.8	0	0	0	111.5	W682 W683 A684 G689 I690	W682-L686 HydrophobicContact CE3-CD1 4.14Å; W682-L686 HydrophobicContact CZ3-CD1 3.89Å; W682-L686 WeakPolarHBondContact O-CB 3.36Å; W682-L686 PolarHBondContact O-N 2.93Å; W683-L686 PolarHBondContact O-N 3.3Å; A684-L686 VanDerWaalsContact C-N 3.33Å; L686-G689 PolarHBondContact O-N 2.89Å; L686-I690 HydrophobicContact CD2-CD1 3.5Å; L686-I690 VanDerWaalsContact CD2-CD1 3.5Å; L686-I690 HydrophobicContact CD2-CG1 4.08Å; L686-I690 WeakPolarHBondContact O-CG1 3.12Å; L686-I690 PolarHBondContact O-N 2.69Å
687	L	85.1	Confident	82.1	Confident	102 Å²	102	93.8 Å²	93.8	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-40.3	172.5	-77	173.2	0	0	0	112.8	W683 A684 G689 I690 A691	W683-L687 HydrophobicContact CE3-CD1 4.05Å; W683-L687 HydrophobicContact CZ3-CD1 4.36Å; W683-L687 WeakPolarHBondContact O-CB 3.37Å; W683-L687 WeakPolarHBondContact O-CG 3.48Å; W683-L687 PolarHBondContact O-N 3.49Å; A684-L687 PolarHBondContact O-N 2.93Å; L687-G689 VanDerWaalsContact C-N 3.34Å; L687-I690 PolarHBondContact O-N 2.89Å; L687-A691 VanDerWaalsContact O-CB 3.31Å; L687-A691 WeakPolarHBondContact O-CB 3.26Å; L687-A691 PolarHBondContact O-N 2.87Å
688	M	84.3	Confident	82.4	Confident	143 Å²	143	89.1 Å²	89.1	70%	0.704	49%	0.487	S	S	*	.	H	α-helix	trans	-61.9	-41.4	173.4	-72.7	-109.2	-75	0	0	111.6	A684 V685 A691 L692	A684-M688 WeakPolarHBondContact O-CB 3.29Å; A684-M688 WeakPolarHBondContact O-CG 3.38Å; A684-M688 PolarHBondContact O-N 3.39Å; V685-M688 PolarHBondContact O-N 3.35Å; M688-A691 PolarHBondContact O-N 2.88Å; M688-L692 WeakPolarHBondContact O-CB 3.46Å; M688-L692 PolarHBondContact O-N 3.14Å
689	G	85.2	Confident	82.6	Confident	33 Å²	33	91.8 Å²	91.8	34%	0.34	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-47.3	173.5	0	0	0	0	0	112.8	V685 L686 L687 L692 I693	V685-G689 PolarHBondContact O-N 3.43Å; L686-G689 PolarHBondContact O-N 2.89Å; L687-G689 VanDerWaalsContact C-N 3.34Å; G689-L692 PolarHBondContact O-N 3.05Å; G689-I693 VanDerWaalsContact O-CG1 3.3Å; G689-I693 WeakPolarHBondContact O-CG1 3.3Å; G689-I693 PolarHBondContact O-N 2.93Å
690	I	86.8	Confident	82.7	Confident	87 Å²	87	91.8 Å²	91.8	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.4	-69.7	171.6	0	0	0	110.9	L686 L687 L692 I693 M694	L686-I690 HydrophobicContact CD2-CD1 3.5Å; L686-I690 VanDerWaalsContact CD2-CD1 3.5Å; L686-I690 HydrophobicContact CD2-CG1 4.08Å; L686-I690 WeakPolarHBondContact O-CG1 3.12Å; L686-I690 PolarHBondContact O-N 2.69Å; L687-I690 PolarHBondContact O-N 2.89Å; I690-L692 VanDerWaalsContact C-N 3.33Å; I690-L692 PolarHBondContact O-N 2.67Å; I690-I693 PolarHBondContact O-N 3.2Å; I690-M694 HydrophobicContact CG2-CG 4.27Å; I690-M694 WeakPolarHBondContact O-CB 3.35Å; I690-M694 VanDerWaalsContact O-CG 3.26Å; I690-M694 WeakPolarHBondContact O-CG 3.2Å; I690-M694 PolarHBondContact O-N 2.89Å
691	A	83.7	Confident	82.6	Confident	60 Å²	60	96.6 Å²	96.6	50%	0.496	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-41	177.8	0	0	0	0	0	111.8	L687 M688 M694 L695	L687-A691 VanDerWaalsContact O-CB 3.31Å; L687-A691 WeakPolarHBondContact O-CB 3.26Å; L687-A691 PolarHBondContact O-N 2.87Å; M688-A691 PolarHBondContact O-N 2.88Å; A691-M694 PolarHBondContact O-N 2.66Å; A691-L695 VanDerWaalsContact O-CB 3.31Å; A691-L695 WeakPolarHBondContact O-CB 3.38Å; A691-L695 PolarHBondContact O-N 3.34Å
692	L	85.8	Confident	82.3	Confident	106 Å²	106	98.7 Å²	98.7	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-69.5	-38.3	177	-170.3	139.9	0	0	0	112.2	M688 G689 I690 L695 M696	M688-L692 WeakPolarHBondContact O-CB 3.46Å; M688-L692 PolarHBondContact O-N 3.14Å; G689-L692 PolarHBondContact O-N 3.05Å; I690-L692 VanDerWaalsContact C-N 3.33Å; I690-L692 PolarHBondContact O-N 2.67Å; L692-L695 PolarHBondContact O-N 2.85Å; L692-M696 HydrophobicContact CD2-CE 4.01Å; L692-M696 HydrophobicContact CD2-CG 4.44Å; L692-M696 HydrophobicContact CD2-SD 4.33Å; L692-M696 WeakPolarHBondContact O-CG 3.37Å; L692-M696 PolarHBondContact O-N 3.4Å
693	I	86.8	Confident	81.4	Confident	106 Å²	106	93 Å²	93	54%	0.544	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-43.2	172.3	-69.6	165.2	0	0	0	111	G689 I690 L695 M696 A697	G689-I693 VanDerWaalsContact O-CG1 3.3Å; G689-I693 WeakPolarHBondContact O-CG1 3.3Å; G689-I693 PolarHBondContact O-N 2.93Å; I690-I693 PolarHBondContact O-N 3.2Å; I693-L695 VanDerWaalsContact C-N 3.34Å; I693-L695 PolarHBondContact O-N 2.93Å; I693-M696 PolarHBondContact O-N 3.34Å; I693-A697 WeakPolarHBondContact O-CB 3.46Å; I693-A697 PolarHBondContact O-N 2.84Å
694	M	83.8	Confident	80.5	Confident	132 Å²	132	89.9 Å²	89.9	65%	0.65	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-37.3	175.7	-73.8	-70.6	-75.6	0	0	112	I690 A691 A697 G698	I690-M694 HydrophobicContact CG2-CG 4.27Å; I690-M694 WeakPolarHBondContact O-CB 3.35Å; I690-M694 VanDerWaalsContact O-CG 3.26Å; I690-M694 WeakPolarHBondContact O-CG 3.2Å; I690-M694 PolarHBondContact O-N 2.89Å; A691-M694 PolarHBondContact O-N 2.66Å; M694-A697 PolarHBondContact O-N 3.46Å; M694-G698 PolarHBondContact O-N 3.39Å
695	L	85.5	Confident	79.7	Confident	124 Å²	124	92.3 Å²	92.3	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-66.5	-45.1	174	-168.6	158.7	0	0	0	111	A691 L692 I693 G698 F699	A691-L695 VanDerWaalsContact O-CB 3.31Å; A691-L695 WeakPolarHBondContact O-CB 3.38Å; A691-L695 PolarHBondContact O-N 3.34Å; L692-L695 PolarHBondContact O-N 2.85Å; I693-L695 VanDerWaalsContact C-N 3.34Å; I693-L695 PolarHBondContact O-N 2.93Å; L695-G698 PolarHBondContact O-N 3.36Å; L695-F699 WeakPolarHBondContact O-CB 3.37Å; L695-F699 PolarHBondContact O-N 3.34Å
696	M	81.8	Confident	78.6	Confident	101 Å²	101	92.8 Å²	92.8	50%	0.498	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-42.3	174.1	-72.1	-160.2	-58.8	0	0	112.2	L692 I693 G698 F699 I700	L692-M696 HydrophobicContact CD2-CE 4.01Å; L692-M696 HydrophobicContact CD2-CG 4.44Å; L692-M696 HydrophobicContact CD2-SD 4.33Å; L692-M696 WeakPolarHBondContact O-CG 3.37Å; L692-M696 PolarHBondContact O-N 3.4Å; I693-M696 PolarHBondContact O-N 3.34Å; M696-G698 VanDerWaalsContact C-N 3.35Å; M696-G698 PolarHBondContact O-N 2.92Å; M696-F699 PolarHBondContact O-N 3.25Å; M696-I700 WeakPolarHBondContact O-CB 3.45Å; M696-I700 WeakPolarHBondContact O-CD1 3.23Å; M696-I700 VanDerWaalsContact O-CG1 3.22Å; M696-I700 WeakPolarHBondContact O-CG1 3.42Å; M696-I700 PolarHBondContact O-N 2.57Å
697	A	81.1	Confident	77.5	Confident	50 Å²	50	92.4 Å²	92.4	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.4	0	0	0	0	0	112	I693 M694 K701	I693-A697 WeakPolarHBondContact O-CB 3.46Å; I693-A697 PolarHBondContact O-N 2.84Å; M694-A697 PolarHBondContact O-N 3.46Å; A697-K701 VanDerWaalsContact O-CB 3.26Å; A697-K701 WeakPolarHBondContact O-CB 3.43Å; A697-K701 PolarHBondContact O-N 2.98Å
698	G	80.4	Confident	76.1	Confident	30 Å²	30	92.9 Å²	92.9	31%	0.309	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-46.7	172.2	0	0	0	0	0	112.4	M694 L695 M696 K701 I702	M694-G698 PolarHBondContact O-N 3.39Å; L695-G698 PolarHBondContact O-N 3.36Å; M696-G698 VanDerWaalsContact C-N 3.35Å; M696-G698 PolarHBondContact O-N 2.92Å; G698-K701 PolarHBondContact O-N 3.39Å; G698-I702 VanDerWaalsContact O-CG1 3.28Å; G698-I702 WeakPolarHBondContact O-CG1 3.42Å; G698-I702 PolarHBondContact O-N 3.31Å
699	F	78.6	Confident	74.8	Confident	132 Å²	132	89.8 Å²	89.8	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-47	176.8	-174.1	-99.6	0	0	0	111.7	L695 M696 K701 I702 C703	L695-F699 WeakPolarHBondContact O-CB 3.37Å; L695-F699 PolarHBondContact O-N 3.34Å; M696-F699 PolarHBondContact O-N 3.25Å; F699-K701 VanDerWaalsContact C-N 3.3Å; F699-K701 PolarHBondContact O-N 2.84Å; F699-I702 PolarHBondContact O-N 3.44Å; F699-C703 WeakPolarHBondContact O-CB 3.35Å; F699-C703 PolarHBondContact O-N 2.93Å; F699-C703 PolarHBondContact O-SG 2.87Å; F699-C703 VanDerWaalsContact O-SG 3.4Å
700	I	78.9	Confident	73.5	Confident	115 Å²	115	94.4 Å²	94.4	59%	0.59	54%	0.537	S	S	*	.	H	α-helix	trans	-58	-43.1	174.1	-70.4	164.1	0	0	0	110.7	M696 I702 C703 S704	M696-I700 WeakPolarHBondContact O-CB 3.45Å; M696-I700 WeakPolarHBondContact O-CD1 3.23Å; M696-I700 VanDerWaalsContact O-CG1 3.22Å; M696-I700 WeakPolarHBondContact O-CG1 3.42Å; M696-I700 PolarHBondContact O-N 2.57Å; I700-I702 PolarHBondContact O-N 2.93Å; I700-C703 PolarHBondContact O-N 3.32Å; I700-S704 WeakPolarHBondContact O-CB 3.44Å; I700-S704 PolarHBondContact O-N 3.41Å; I700-S704 PolarHBondContact O-OG 3.34Å
701	K	74.9	Confident	72.1	Confident	161 Å²	161	94.1 Å²	94.1	70%	0.7	54%	0.536	S	S	*	.	H	α-helix	trans	-70.2	-27.4	179.2	-170.3	174.1	-177	177.7	0	113.9	A697 G698 F699 S704	A697-K701 VanDerWaalsContact O-CB 3.26Å; A697-K701 WeakPolarHBondContact O-CB 3.43Å; A697-K701 PolarHBondContact O-N 2.98Å; G698-K701 PolarHBondContact O-N 3.39Å; F699-K701 VanDerWaalsContact C-N 3.3Å; F699-K701 PolarHBondContact O-N 2.84Å; K701-S704 PolarHBondContact O-OG 3.01Å
702	I	73.9	Confident	70.9	Confident	116 Å²	116	97.5 Å²	97.5	60%	0.595	55%	0.553	S	S	*	*	H	α-helix	trans	-77	-46.6	172.5	-69.9	164.2	0	0	0	109.9	G698 F699 I700	G698-I702 VanDerWaalsContact O-CG1 3.28Å; G698-I702 WeakPolarHBondContact O-CG1 3.42Å; G698-I702 PolarHBondContact O-N 3.31Å; F699-I702 PolarHBondContact O-N 3.44Å; I700-I702 PolarHBondContact O-N 2.93Å
703	C	65.2	Low	69.6	Low	43 Å²	43	101.5 Å²	101.5	29%	0.291	57%	0.566	S	S	.	*	H	α-helix	trans	-69.3	-32.5	-180	-69.4	0	0	0	0	113.2	F699 I700 V705 H706 T707	F699-C703 WeakPolarHBondContact O-CB 3.35Å; F699-C703 PolarHBondContact O-N 2.93Å; F699-C703 PolarHBondContact O-SG 2.87Å; F699-C703 VanDerWaalsContact O-SG 3.4Å; I700-C703 PolarHBondContact O-N 3.32Å; C703-V705 PolarHBondContact O-N 2.94Å; C703-V705 VanDerWaalsContact O-N 3.11Å; C703-H706 CarbonylContact O-C 3.5Å; C703-H706 WeakPolarHBondContact O-CA 3.2Å; C703-H706 PolarHBondContact O-N 2.99Å; C703-T707 PolarHBondContact O-N 2.83Å; C703-T707 PolarHBondContact O-OG1 3.14Å
704	S	65.4	Low	68.3	Low	70 Å²	70	101.4 Å²	101.4	49%	0.49	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-12.7	-179.7	65.4	0	0	0	0	114.7	I700 K701 H706	I700-S704 WeakPolarHBondContact O-CB 3.44Å; I700-S704 PolarHBondContact O-N 3.41Å; I700-S704 PolarHBondContact O-OG 3.34Å; K701-S704 PolarHBondContact O-OG 3.01Å; S704-H706 VanDerWaalsContact C-N 3.29Å
705	V	64.1	Low	67.1	Low	71 Å²	71	100.5 Å²	100.5	43%	0.43	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-15.1	172	-179.6	0	0	0	0	111.7	C703 P717 K718	C703-V705 PolarHBondContact O-N 2.94Å; C703-V705 VanDerWaalsContact O-N 3.11Å; V705-P717 WeakPolarHBondContact O-CB 3.46Å; V705-K718 PolarHBondContact O-N 2.88Å
706	H	57.3	Low	65.8	Low	74 Å²	74	100 Å²	100	34%	0.343	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.9	-18.7	-172.9	-62.4	-63.3	0	0	0	114.3	C703 S704 K718	C703-H706 CarbonylContact O-C 3.5Å; C703-H706 WeakPolarHBondContact O-CA 3.2Å; C703-H706 PolarHBondContact O-N 2.99Å; S704-H706 VanDerWaalsContact C-N 3.29Å; H706-K718 PolarHBondContact CE1-O 2.96Å; H706-K718 PolarHBondContact ND1-O 3.48Å
707	T	58.2	Low	64.5	Low	85 Å²	85	98.2 Å²	98.2	52%	0.521	57%	0.57	S	S	.	*	S	Bend	trans	-77.7	132.8	169.3	40.8	0	0	0	0	111.3	C703	C703-T707 PolarHBondContact O-N 2.83Å; C703-T707 PolarHBondContact O-OG1 3.14Å
708	P	55.8	Low	63.2	Low	112 Å²	112	103.1 Å²	103.1	73%	0.727	58%	0.582	S	S	*	*			trans	-70.2	137.6	176.2	29	-33.9	0	0	0	111
709	S	57.8	Low	61.9	Low	77 Å²	77	107.4 Å²	107.4	54%	0.538	60%	0.604	S	S	.	*			trans	-107.1	134.5	177	-176.3	0	0	0	0	110.9	N711	S709-N711 PolarHBondContact O-N 3.24Å; S709-N711 PolarHBondContact OG-N 3.06Å
710	S	57.1	Low	60.8	Low	131 Å²	131	107.2 Å²	107.2	92%	0.916	61%	0.609	S	S	*	*	S	Bend	trans	-75.4	2.6	175.2	-44.6	0	0	0	0	113.9	P712	S710-P712 WeakPolarHBondContact O-CD 3.45Å
711	N	58.3	Low	59.5	Low	80 Å²	80	107.8 Å²	107.8	43%	0.428	62%	0.62	S	S	.	*			trans	-90.2	112.9	-178	-179	-9.5	0	0	0	111	S709 K713 L714	S709-N711 PolarHBondContact O-N 3.24Å; S709-N711 PolarHBondContact OG-N 3.06Å; N711-K713 PolarHBondContact O-N 3.47Å; N711-K713 PolarHBondContact OD1-N 3.32Å; N711-K713 VanDerWaalsContact OD1-N 3.15Å; N711-L714 HydrophobicContact CB-CD1 4.3Å; N711-L714 PolarHBondContact O-N 2.97Å
712	P	58.3	Low	58.3	Low	131 Å²	131	103.6 Å²	103.6	85%	0.851	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	3	-173.6	30.8	-37.1	0	0	0	115	S710	S710-P712 WeakPolarHBondContact O-CD 3.45Å
713	K	58.8	Low	56.7	Low	191 Å²	191	104.6 Å²	104.6	83%	0.83	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	5	176.2	-66.7	-172.6	175.9	-177.8	0	114.4	N711	N711-K713 PolarHBondContact O-N 3.47Å; N711-K713 PolarHBondContact OD1-N 3.32Å; N711-K713 VanDerWaalsContact OD1-N 3.15Å
714	L	58.7	Low	55.5	Low	104 Å²	104	110.5 Å²	110.5	55%	0.545	66%	0.662	S	S	.	*	S	Bend	trans	-110.9	147.1	-179.8	-69.9	173.2	0	0	0	112	N711	N711-L714 HydrophobicContact CB-CD1 4.3Å; N711-L714 PolarHBondContact O-N 2.97Å
715	P	58.4	Low	54.1	Low	112 Å²	112	117.2 Å²	117.2	73%	0.727	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-67.9	149.9	177.7	29.2	-35.2	0	0	0	111.7
716	P	58.4	Low	52.7	Low	114 Å²	114	125.6 Å²	125.6	74%	0.74	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-66.5	147.5	-176.9	26.8	-34.7	0	0	0	112.8
717	P	54.3	Low	51.6	Low	63 Å²	63	133.8 Å²	133.8	41%	0.409	73%	0.734	S	S	.	*	P	Polyproline II helix	trans	-67.1	150.8	-177.2	28.5	-35.8	0	0	0	112.3	V705	V705-P717 WeakPolarHBondContact O-CB 3.46Å
718	K	54.6	Low	50.3	Low	154 Å²	154	141.6 Å²	141.6	67%	0.67	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-84.1	138.8	-179.9	-69.3	-178.3	178.1	179.3	0	110.9	V705 H706	V705-K718 PolarHBondContact O-N 2.88Å; H706-K718 PolarHBondContact CE1-O 2.96Å; H706-K718 PolarHBondContact ND1-O 3.48Å
719	P	53.4	Low	49.3	Very low	119 Å²	119	141 Å²	141	77%	0.773	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-68.3	146.2	174.9	29	-34.5	0	0	0	111.3
720	L	56	Low	48.2	Very low	128 Å²	128	144.6 Å²	144.6	67%	0.67	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-74.7	137.5	177.1	-70	163.6	0	0	0	111.1
721	P	49.8	Very low	47.1	Very low	127 Å²	127	147.9 Å²	147.9	83%	0.825	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.4	132	169.2	29.3	-33.3	0	0	0	109.7
722	G	50.1	Low	46.1	Very low	73 Å²	73	151.2 Å²	151.2	75%	0.753	78%	0.781	S	S	*	*			trans	-109.4	140.3	-160.3	0	0	0	0	0	117
723	T	41	Very low	44.9	Very low	138 Å²	138	149 Å²	149	85%	0.847	77%	0.773	S	S	*	*			trans	-156.8	144.6	160.5	19.9	0	0	0	0	106.8
724	L	38.8	Very low	43.6	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	77%	0.771	S	S	*	*			cis	-126.6	147.8	7.7	-88.9	149.4	0	0	0	111.1
725	K	37.3	Very low	42.2	Very low	211 Å²	211	144.9 Å²	144.9	92%	0.917	78%	0.777	S	S	*	*			trans	-85.9	127.4	166.4	-75.9	174.6	175.5	171.8	0	110.4
726	R	34.1	Very low	40.9	Very low	247 Å²	247	148.3 Å²	148.3	93%	0.932	78%	0.783	S	S	*	*			trans	-115.6	119.1	156.3	-165.6	172	-175.1	173.4	1.8	109.3
727	R	33.5	Very low	39.6	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	78%	0.782	S	S	*	*			trans	-62.8	136.6	-178	-79.9	172.5	159.8	161.7	-8.5	111.7
728	R	32.6	Very low	38.5	Very low	248 Å²	248	153 Å²	153	94%	0.936	80%	0.798	S	S	*	*			trans	-116.9	145.7	138.7	-135.9	174.3	-172.4	175.2	1.9	106.9
729	A	34.2	Very low	37.2	Very low	99 Å²	99	152.8 Å²	152.8	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.3	149.8	-166.2	0	0	0	0	0	113
730	Q	34.3	Very low	36.1	Very low	154 Å²	154	154.8 Å²	154.8	72%	0.72	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.6	138.5	172.4	-70.6	147.2	-88.2	0	0	110.7	H732	Q730-H732 PolarHBondContact NE2-CD2 2.61Å; Q730-H732 PolarHBondContact NE2-NE2 3.15Å
731	Q	34	Very low	34.7	Very low	199 Å²	199	153.2 Å²	153.2	93%	0.93	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.3	126	145.4	-75	177.5	-55.2	0	0	107.9
732	H	37.4	Very low	33.7	Very low	151 Å²	151	156.2 Å²	156.2	70%	0.699	80%	0.801	S	S	*	*			trans	-141.2	154.2	165.4	-82.5	-66.9	0	0	0	107.9	Q730	Q730-H732 PolarHBondContact NE2-CD2 2.61Å; Q730-H732 PolarHBondContact NE2-NE2 3.15Å
733	A	34.1	Very low	32.6	Very low	83 Å²	83	161.4 Å²	161.4	69%	0.686	81%	0.805	S	S	*	*			cis	-172.8	142.2	-25.8	0	0	0	0	0	108.6
734	S	30.1	Very low	33.2	Very low	113 Å²	113	159.5 Å²	159.5	79%	0.79	80%	0.795	S	S	*	*			trans	-171.5	133.6	155.5	51.9	0	0	0	0	109.2
735	S	30.5	Very low	32.7	Very low	96 Å²	96	159.8 Å²	159.8	67%	0.671	79%	0.791	S	S	*	*			cis	146.9	145.8	-17.9	50.4	0	0	0	0	106.6
736	Q	30.8	Very low	32.2	Very low	184 Å²	184	153.5 Å²	153.5	86%	0.86	78%	0.779	S	S	*	*			trans	70.9	153.8	173.3	-58.9	179.6	-21.2	0	0	116.1
737	V	31.6	Very low	31.9	Very low	118 Å²	118	150.9 Å²	150.9	72%	0.715	78%	0.777	S	S	*	*			cis	-155.6	155.9	-26.9	124.7	0	0	0	0	108.8
738	Q	29.4	Very low	31.6	Very low	158 Å²	158	143.2 Å²	143.2	74%	0.738	77%	0.774	S	S	*	*			trans	12.9	138.5	163.9	-63.7	174.8	-82.5	0	0	123.7
739	H	29.3	Very low	31.3	Very low	150 Å²	150	134.6 Å²	134.6	69%	0.694	76%	0.763	S	S	*	*			trans	74.6	107.5	138.3	-86.2	-109.3	0	0	0	123
740	Q	28.4	Very low	31	Very low	160 Å²	160	138.3 Å²	138.3	75%	0.748	76%	0.763	S	S	*	*				92	144.9	112.8	-159.7	168.9	-4.3	0	0	120.6
741	S	27.1	Very low	30.8	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	77%	0.766	S	S	*	*			trans	76.6	104.8	165.6	2.7	0	0	0	0	120.2
742	Q	28.8	Very low	30.7	Very low	190 Å²	190	140 Å²	140	89%	0.888	76%	0.762	S	S	*	*				61.3	137.6	130	-68.1	175.7	-21.8	0	0	123.4
743	H	27.3	Very low	30.3	Very low	181 Å²	181	136.7 Å²	136.7	84%	0.838	76%	0.761	S	S	*	*			trans	-33.9	170.4	154.6	-74.3	-66.4	0	0	0	118.1
744	P	53.7	Low	30.2	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	77%	0.773	S	S	*	*			cis	-139.9	-164	-17.8	27.8	-2.7	0	0	0	114.6
745	H	28.3	Very low	30.1	Very low	173 Å²	173	143.4 Å²	143.4	80%	0.801	78%	0.777	S	S	*	*			trans	82.7	108.8	153.7	-71.3	-54.1	0	0	0	122.7
746	A	26.9	Very low	30.3	Very low	79 Å²	79	147.8 Å²	147.8	65%	0.653	79%	0.787	S	S	*	*				80.4	139.7	109.4	0	0	0	0	0	124
747	H	28.6	Very low	31.2	Very low	193 Å²	193	143.9 Å²	143.9	89%	0.894	78%	0.778	S	S	*	*			trans	61.3	115.1	150.3	-78.4	-64.4	0	0	0	123.2
748	G	26	Very low	31.4	Very low	85 Å²	85	145.6 Å²	145.6	88%	0.876	78%	0.778	S	S	*	*			trans	85.3	148.6	142.2	0	0	0	0	0	116.9
749	G	27.5	Very low	31.6	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	78%	0.776	S	S	*	*			cis	152.8	149.3	-7.9	0	0	0	0	0	112.3
750	Q	28.1	Very low	31.8	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	78%	0.778	S	S	*	*			trans	66.4	161.1	177	-55.3	-166	36.2	0	0	115.6
751	R	29.9	Very low	31.9	Very low	206 Å²	206	144.8 Å²	144.8	78%	0.777	79%	0.785	S	S	*	*			cis	-165.1	173.7	-30.7	-110.6	-179.5	167.5	-178.2	-3.5	107.9
752	Q	30.3	Very low	32.3	Very low	183 Å²	183	148.7 Å²	148.7	86%	0.855	79%	0.793	S	S	*	*			trans	67.3	163	161.2	-71	166.3	3.5	0	0	117
753	A	30.7	Very low	33.4	Very low	80 Å²	80	144.5 Å²	144.5	66%	0.661	78%	0.782	S	S	*	*			cis	-165.8	155.5	-36	0	0	0	0	0	111.2
754	R	30.3	Very low	33.9	Very low	253 Å²	253	142.5 Å²	142.5	96%	0.955	77%	0.773	S	S	*	*			trans	37	125.1	152	-70.5	178.8	167.8	177.9	-4.4	120.5
755	G	29.2	Very low	33.1	Very low	85 Å²	85	146.5 Å²	146.5	88%	0.876	78%	0.775	S	S	*	*			trans	179.8	112.6	155.4	0	0	0	0	0	114.8
756	Q	34.5	Very low	33.5	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.874	77%	0.766	S	S	*	*			trans	-111	155.9	170	-129.6	-177.5	23.2	0	0	108.1
757	P	48.6	Very low	33.8	Very low	102 Å²	102	146.1 Å²	146.1	66%	0.662	76%	0.76	S	S	*	*				-161.8	156.4	88.3	40.4	-20.2	0	0	0	119.3
758	Q	36.5	Very low	33.9	Very low	154 Å²	154	145.5 Å²	145.5	72%	0.72	75%	0.75	S	S	*	*			trans	63.1	159.1	140.5	-68.9	179.3	39.8	0	0	119.9
759	R	34.4	Very low	34.1	Very low	185 Å²	185	149.1 Å²	149.1	70%	0.698	74%	0.744	S	S	*	*			cis	-158.2	149.7	0.9	-128.1	174.7	-157.3	-123.3	14.8	113.2
760	Q	33	Very low	35	Very low	157 Å²	157	151.5 Å²	151.5	73%	0.734	75%	0.747	S	S	*	*			trans	39.8	125.7	143.7	-71.9	170.9	-57.5	0	0	124.1
761	A	29.9	Very low	35.2	Very low	109 Å²	109	153.1 Å²	153.1	90%	0.901	75%	0.746	S	S	*	*				-162.4	155.6	119.8	0	0	0	0	0	111.4
762	Q	36.4	Very low	35.3	Very low	179 Å²	179	152.3 Å²	152.3	84%	0.836	75%	0.751	S	S	*	*			trans	-158.6	158.2	177.5	-156	-170.1	60.4	0	0	109.4
763	P	52	Low	35.2	Very low	102 Å²	102	149 Å²	149	66%	0.662	74%	0.739	S	S	*	*				-153.3	140.6	112.3	34.7	-16.1	0	0	0	117.6
764	Q	37.7	Very low	35.2	Very low	138 Å²	138	154.6 Å²	154.6	65%	0.645	74%	0.744	S	S	*	*			trans	67.7	152	134.9	-64	-173.4	35.9	0	0	119.4
765	R	35.5	Very low	35.1	Very low	182 Å²	182	150.9 Å²	150.9	69%	0.687	74%	0.738	S	S	*	*			cis	-166.8	168	-3.3	-110.2	-177.3	163.8	144.8	-16.5	106.4
766	H	36.5	Very low	35.5	Very low	131 Å²	131	155.6 Å²	155.6	61%	0.606	74%	0.74	S	S	*	*			cis	-171.2	173.8	-17	-112.1	10.9	0	0	0	106.4
767	H	33.4	Very low	35.4	Very low	113 Å²	113	150.5 Å²	150.5	52%	0.523	74%	0.737	S	S	.	*			cis	-154.1	152	0.1	-137.3	21.9	0	0	0	111.8
768	R	31	Very low	35	Very low	181 Å²	181	154.1 Å²	154.1	68%	0.683	75%	0.745	S	S	*	*			trans	38	129.3	143.9	-69.9	-177.9	164.6	142.8	-15.6	121.9
769	Q	30.4	Very low	34.9	Very low	160 Å²	160	154.3 Å²	154.3	75%	0.748	75%	0.748	S	S	*	*				73.8	158.6	55.5	-71.4	-178.9	-26.9	0	0	114.7
770	P	47	Very low	35.2	Very low	118 Å²	118	156.6 Å²	156.6	77%	0.766	76%	0.756	S	S	*	*			cis	-113.7	173.1	-7.3	15.1	10.2	0	0	0	112.1
771	R	32.6	Very low	35.4	Very low	210 Å²	210	164.6 Å²	164.6	79%	0.792	78%	0.78	S	S	*	*			cis	82.1	112.4	29.2	-165.8	-162.2	-174.1	-175.8	5.6	116.1
772	E	30.3	Very low	35.7	Very low	189 Å²	189	167.4 Å²	167.4	88%	0.883	77%	0.774	S	S	*	*			trans	-149.5	170.6	153.2	-143.9	155.1	-133	0	0	112
773	N	29.6	Very low	35.7	Very low	114 Å²	114	166.7 Å²	166.7	61%	0.61	77%	0.77	S	S	*	*			trans	-108.9	166.2	-177.2	-47.2	-52	0	0	0	110.7
774	Y	29.6	Very low	34.8	Very low	197 Å²	197	170.3 Å²	170.3	77%	0.773	78%	0.776	S	S	*	*				174.9	148.6	107.9	-111.3	-85.9	0	0	0	116.7
775	Q	29.8	Very low	34.6	Very low	176 Å²	176	172.2 Å²	172.2	82%	0.822	78%	0.784	S	S	*	*			trans	67	155.1	145.6	-113.1	155.7	-13.7	0	0	125
776	M	37.6	Very low	34.6	Very low	184 Å²	184	171.6 Å²	171.6	91%	0.906	79%	0.79	S	S	*	*			trans	-86.8	158.4	170.6	-59.2	178.6	-74.1	0	0	111.3
777	G	31	Very low	34.4	Very low	79 Å²	79	174.3 Å²	174.3	81%	0.814	80%	0.803	S	S	*	*			trans	-140.8	136.4	162.8	0	0	0	0	0	111.1
778	Q	40.3	Very low	34.5	Very low	179 Å²	179	178.7 Å²	178.7	84%	0.836	82%	0.822	S	S	*	*			trans	-121.5	165.6	177.5	-103.5	-168.9	-10.6	0	0	110.9
779	M	35.7	Very low	34.8	Very low	158 Å²	158	178.5 Å²	178.5	78%	0.778	83%	0.833	S	S	*	*			trans	89.4	121.4	161.6	-50.1	-155.1	-164.8	0	0	119.7
780	R	40.1	Very low	35.1	Very low	232 Å²	232	180.1 Å²	180.1	88%	0.875	84%	0.84	S	S	*	*			trans	40.9	117.7	130.7	-65.3	177.1	167.3	174.6	-5.1	118.9
781	R	37.9	Very low	34	Very low	325 Å²	325	185.7 Å²	185.7	100%	1.226	85%	0.847	S	S	*	*				-133.2	0	95.3	-108.9	-179.7	-179.5	-174.6	-0.3	110.7

Retrieved 781 of 781 residues in 260.6 ms (Link to these results)

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