A0A3Q0KNY0_SCHMA Loading...

Delta-1-pyrroline-5-carboxylate synthase

AlphaFold DB , UniProt , Accession A0A3Q0KNY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 783 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	36.8	Very low	42.2	Very low	219 Å²	219	107.8 Å²	107.8	100%	1.079	58%	0.58	S	S	*	*				0	-35.7	0	-76.8	-172.6	-171.1	0	0	114.1	K3 S4	M1-K3 PolarHBondContact O-N 3Å; M1-S4 PolarHBondContact O-N 3.2Å
2	L	32.5	Very low	42.5	Very low	168 Å²	168	104.3 Å²	104.3	88%	0.88	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-22.4	177.1	-81.5	152.2	0	0	0	115.5
3	K	34.8	Very low	43	Very low	148 Å²	148	106.2 Å²	106.2	64%	0.643	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-19	173.3	-77.3	-170.9	175	-171.6	0	114	M1 H107 E127	M1-K3 PolarHBondContact O-N 3Å; K3-H107 PolarHBondContact NZ-NE2 3.15Å; K3-E127 IonicContact NZ-OE1 2.71Å
4	S	38.4	Very low	43.3	Very low	80 Å²	80	101.7 Å²	101.7	56%	0.559	55%	0.551	S	S	*	*	H	α-helix	trans	-81	-28.3	-176	-166.6	0	0	0	0	113.8	M1	M1-S4 PolarHBondContact O-N 3.2Å
5	N	41.4	Very low	43.1	Very low	115 Å²	115	104.4 Å²	104.4	62%	0.615	56%	0.559	S	S	*	*	H	α-helix	trans	-83.2	-15.7	-176.2	-78.4	-6.3	0	0	0	114	S8	N5-S8 PolarHBondContact O-OG 3.05Å
6	C	41.9	Very low	43.1	Very low	93 Å²	93	111.6 Å²	111.6	63%	0.628	58%	0.576	S	S	*	*	H	α-helix	trans	-78	-27.8	174.3	-109.9	0	0	0	0	112.3
7	L	44.9	Very low	43.1	Very low	65 Å²	65	114.3 Å²	114.3	34%	0.34	58%	0.577	S	S	.	*	H	α-helix	trans	-69.8	-46.4	179.3	-77.4	159.5	0	0	0	111	N9 I10 F11 L73	L7-N9 VanDerWaalsContact C-N 3.3Å; L7-N9 PolarHBondContact O-N 3.47Å; L7-I10 PolarHBondContact O-N 3.45Å; L7-F11 HydrophobicContact CB-CE2 4.26Å; L7-F11 WeakPolarHBondContact O-CD2 3.44Å; L7-F11 PolarHBondContact O-N 3.41Å; L7-L73 HydrophobicContact CD2-CD1 4.47Å; L7-L73 HydrophobicContact CD2-CD2 3.68Å
8	S	44.6	Very low	43	Very low	65 Å²	65	111.8 Å²	111.8	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-60.8	-32.1	-178	64.2	0	0	0	0	114.4	N5 F11 S12	N5-S8 PolarHBondContact O-OG 3.05Å; S8-F11 PolarHBondContact O-N 2.93Å; S8-S12 PolarHBondContact O-N 3.43Å
9	N	47.8	Very low	42.6	Very low	114 Å²	114	117.4 Å²	117.4	61%	0.61	58%	0.579	S	S	*	*	H	α-helix	trans	-74.1	-32.2	179.7	-82.2	-16.6	0	0	0	113.2	L7 S12	L7-N9 VanDerWaalsContact C-N 3.3Å; L7-N9 PolarHBondContact O-N 3.47Å; N9-S12 PolarHBondContact O-N 3.31Å; N9-S12 PolarHBondContact O-OG 3.25Å
10	I	52.3	Low	42.4	Very low	59 Å²	59	120.2 Å²	120.2	30%	0.303	59%	0.59	S	S	.	*	H	α-helix	trans	-70.2	-35.7	174.6	-67.7	170.7	0	0	0	110.2	L7 S12 I13 I14 L73	L7-I10 PolarHBondContact O-N 3.45Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 3.21Å; I10-I13 PolarHBondContact O-N 3.39Å; I10-I14 HydrophobicContact CG2-CD1 3.71Å; I10-I14 HydrophobicContact CG2-CG1 4.48Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.48Å; I10-L73 HydrophobicContact CD1-CB 4.5Å; I10-L73 HydrophobicContact CD1-CD2 3.56Å
11	F	48.8	Very low	42.1	Very low	60 Å²	60	117.8 Å²	117.8	26%	0.263	59%	0.586	S	S	.	*	H	α-helix	trans	-60.8	-31.5	175.3	-78.5	-68.9	0	0	0	114.1	L7 S8 I13 I14 Q15 Q138	L7-F11 HydrophobicContact CB-CE2 4.26Å; L7-F11 WeakPolarHBondContact O-CD2 3.44Å; L7-F11 PolarHBondContact O-N 3.41Å; S8-F11 PolarHBondContact O-N 2.93Å; F11-I13 VanDerWaalsContact C-N 3.3Å; F11-I13 PolarHBondContact O-N 3.16Å; F11-I14 PolarHBondContact O-N 2.87Å; F11-Q15 PolarHBondContact O-N 3.32Å; F11-Q138 HydrophobicContact CE1-CB 4.15Å; F11-Q138 HydrophobicContact CE1-CG 3.62Å; F11-Q138 HydrophobicContact CZ-CG 3.8Å
12	S	45.7	Very low	41.8	Very low	65 Å²	65	114 Å²	114	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-70.4	-24.5	179.3	77.6	0	0	0	0	114.1	S8 N9 I10	S8-S12 PolarHBondContact O-N 3.43Å; N9-S12 PolarHBondContact O-N 3.31Å; N9-S12 PolarHBondContact O-OG 3.25Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 3.21Å
13	I	49.4	Very low	41.8	Very low	129 Å²	129	113.5 Å²	113.5	66%	0.662	57%	0.566	S	S	*	*	H	α-helix	trans	-85.9	-33.3	178.2	-63.2	176.1	0	0	0	110.3	I10 F11	I10-I13 PolarHBondContact O-N 3.39Å; F11-I13 VanDerWaalsContact C-N 3.3Å; F11-I13 PolarHBondContact O-N 3.16Å
14	I	47	Very low	41.7	Very low	44 Å²	44	113.9 Å²	113.9	23%	0.226	57%	0.574	C	S	.	*	H	α-helix	trans	-76	-43.5	-179.6	-63.3	172.6	0	0	0	111.3	I10 F11 R16 R17 A77 E81	I10-I14 HydrophobicContact CG2-CD1 3.71Å; I10-I14 HydrophobicContact CG2-CG1 4.48Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.48Å; F11-I14 PolarHBondContact O-N 2.87Å; I14-R16 PolarHBondContact O-N 2.91Å; I14-R16 VanDerWaalsContact O-N 3.15Å; I14-R17 PolarHBondContact O-N 2.62Å; I14-A77 HydrophobicContact CD1-CB 3.95Å; I14-E81 VanDerWaalsContact CG2-OE1 3.28Å; I14-E81 WeakPolarHBondContact CG2-OE1 3.49Å
15	Q	40.7	Very low	41.3	Very low	142 Å²	142	115.2 Å²	115.2	66%	0.664	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-17.9	179	-85.7	-169.4	-22.3	0	0	114.9	F11 R17	F11-Q15 PolarHBondContact O-N 3.32Å; Q15-R17 VanDerWaalsContact C-N 3.33Å
16	R	42.1	Very low	40.6	Very low	220 Å²	220	117.5 Å²	117.5	83%	0.83	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-16.7	177.3	-87.1	-176.7	173.2	179.3	-0.6	113.9	I14	I14-R16 PolarHBondContact O-N 2.91Å; I14-R16 VanDerWaalsContact O-N 3.15Å
17	R	43.2	Very low	39.9	Very low	157 Å²	157	122 Å²	122	59%	0.592	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-33.5	178.3	-87.4	-178.3	161.3	178.8	-7.2	113.9	I14 Q15 R19 Q20	I14-R17 PolarHBondContact O-N 2.62Å; Q15-R17 VanDerWaalsContact C-N 3.33Å; R17-R19 PolarHBondContact O-N 3.06Å; R17-R19 VanDerWaalsContact O-N 3.09Å; R17-Q20 PolarHBondContact O-N 2.96Å; R17-Q20 VanDerWaalsContact O-N 3.1Å
18	N	41.5	Very low	39.3	Very low	69 Å²	69	126.8 Å²	126.8	37%	0.369	63%	0.631	S	S	.	*	H	α-helix	trans	-69.4	-8.1	-178.4	-74.9	-20.5	0	0	0	115.5	Q20 L22 E81	N18-Q20 VanDerWaalsContact C-N 3.3Å; N18-Q20 PolarHBondContact O-N 2.86Å; N18-L22 WeakPolarHBondContact O-CD1 3.36Å; N18-E81 PolarHBondContact ND2-OE1 3.49Å
19	R	36.6	Very low	38.3	Very low	219 Å²	219	132.7 Å²	132.7	83%	0.826	65%	0.648	S	S	*	*	H	α-helix	trans	-76.7	-10.4	169.8	-86.3	-172.4	175.8	-170.3	-0.9	114.6	R17	R17-R19 PolarHBondContact O-N 3.06Å; R17-R19 VanDerWaalsContact O-N 3.09Å
20	Q	37.5	Very low	37.3	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	66%	0.664	S	S	*	*	H	α-helix	trans	-96.6	-24.3	175.4	-83	-177	-26.6	0	0	113.9	R17 N18	R17-Q20 PolarHBondContact O-N 2.96Å; R17-Q20 VanDerWaalsContact O-N 3.1Å; N18-Q20 VanDerWaalsContact C-N 3.3Å; N18-Q20 PolarHBondContact O-N 2.86Å
21	S	36.4	Very low	36	Very low	70 Å²	70	138 Å²	138	49%	0.49	69%	0.689	S	S	.	*	H	α-helix	trans	-86.5	-21.2	-179.1	-45.4	0	0	0	0	113.9	L23 L24	S21-L23 PolarHBondContact O-N 3.46Å; S21-L23 VanDerWaalsContact O-N 3.16Å; S21-L24 PolarHBondContact O-N 2.79Å
22	L	31.4	Very low	34.8	Very low	140 Å²	140	143.3 Å²	143.3	73%	0.733	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	1.8	-176	-108.2	127.8	0	0	0	115.5	N18	N18-L22 WeakPolarHBondContact O-CD1 3.36Å
23	L	32	Very low	33.9	Very low	156 Å²	156	148.3 Å²	148.3	82%	0.817	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-4.1	174.8	-96.5	145.3	0	0	0	114	S21	S21-L23 PolarHBondContact O-N 3.46Å; S21-L23 VanDerWaalsContact O-N 3.16Å
24	L	32.6	Very low	32.7	Very low	156 Å²	156	149 Å²	149	82%	0.817	74%	0.741	S	S	*	*	S	Bend	trans	-99.1	-7.9	-177.9	-140.3	77.1	0	0	0	114.4	S21 N26	S21-L24 PolarHBondContact O-N 2.79Å; L24-N26 PolarHBondContact O-N 3.1Å
25	C	28.6	Very low	31.6	Very low	108 Å²	108	151 Å²	151	73%	0.73	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	9.3	-166.6	-146.2	0	0	0	0	115.7
26	N	27.4	Very low	30.8	Very low	164 Å²	164	151 Å²	151	88%	0.877	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	13.4	-175	-90.9	-18.7	0	0	0	116.1	L24	L24-N26 PolarHBondContact O-N 3.1Å
27	Q	28.2	Very low	30.2	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	76%	0.76	S	S	*	*	S	Bend	trans	-126.6	7.1	-178.9	-78.8	-173.5	-23.5	0	0	116.6
28	I	30.5	Very low	29.7	Very low	165 Å²	165	145.8 Å²	145.8	85%	0.846	77%	0.772	S	S	*	*			trans	-110.4	66.1	175	-48.3	177.5	0	0	0	109.7
29	K	24.9	Very low	30.2	Very low	189 Å²	189	146.6 Å²	146.6	82%	0.822	78%	0.776	S	S	*	*			trans	-137.4	84.6	163.1	-81.3	-173.6	179.3	175.6	0	107.3
30	H	25.6	Very low	31.6	Very low	202 Å²	202	144.3 Å²	144.3	94%	0.935	77%	0.772	S	S	*	*			trans	169.7	109.9	145.8	-88.2	-57.8	0	0	0	108.8
31	G	26	Very low	33.7	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	74%	0.742	S	S	*	*			trans	170.8	49.4	-179.5	0	0	0	0	0	112.4	H33	G31-H33 PolarHBondContact O-N 2.85Å
32	L	24.1	Very low	36	Very low	172 Å²	172	134.6 Å²	134.6	90%	0.901	72%	0.721	S	S	*	*			trans	-79.7	108.3	166.5	-93.1	147.4	0	0	0	107.6
33	H	26.3	Very low	38.4	Very low	171 Å²	171	134.7 Å²	134.7	79%	0.792	71%	0.712	S	S	*	*			trans	-165.3	121.1	138.9	-105.4	-52.7	0	0	0	114.3	G31	G31-H33 PolarHBondContact O-N 2.85Å
34	N	24.3	Very low	41	Very low	144 Å²	144	130.2 Å²	130.2	77%	0.77	69%	0.691	S	S	*	*			trans	68.1	78.9	148.8	-60.8	-2.9	0	0	0	119.6
35	S	24.6	Very low	43.7	Very low	84 Å²	84	124.1 Å²	124.1	59%	0.587	66%	0.657	S	S	*	*			trans	-89.9	113.8	155.2	156.3	0	0	0	0	109.7	T37	S35-T37 PolarHBondContact OG-OG1 3.16Å
36	T	23.8	Very low	46.3	Very low	143 Å²	143	124.8 Å²	124.8	88%	0.877	65%	0.652	S	S	*	*			trans	-110.7	72.6	154.1	45	0	0	0	0	107.5
37	T	28.5	Very low	49.2	Very low	107 Å²	107	120.4 Å²	120.4	66%	0.656	63%	0.626	S	S	*	*			trans	-94.4	100.1	174.2	27.6	0	0	0	0	109.8	S35	S35-T37 PolarHBondContact OG-OG1 3.16Å
38	L	32	Very low	52.2	Low	160 Å²	160	111.5 Å²	111.5	84%	0.838	59%	0.585	S	S	*	*			trans	-59.7	128.1	146.9	-94	126.6	0	0	0	107.1	K40	L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.41Å
39	N	52	Low	55	Low	86 Å²	86	107.2 Å²	107.2	46%	0.46	56%	0.564	S	S	.	*			trans	-46.7	95.7	173.8	-79.6	18.3	0	0	0	110.1	K220	N39-K220 PolarHBondContact ND2-O 2.89Å
40	K	66	Low	58.1	Low	172 Å²	172	104 Å²	104	75%	0.748	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-98.5	128.5	171.2	-100.5	-178.2	172.1	-178.4	0	106.5	L38 A42	L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.41Å; K40-A42 PolarHBondContact O-N 2.98Å
41	L	82.6	Confident	61.3	Low	32 Å²	32	94.7 Å²	94.7	17%	0.168	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-51.1	126.3	165.4	-165.2	99.5	0	0	0	108	R43 V293 G296 T297 L325	L41-R43 PolarHBondContact O-N 3.06Å; L41-V293 HydrophobicContact CD1-CG1 4.2Å; L41-V293 HydrophobicContact CD2-CG1 4.16Å; L41-G296 VanDerWaalsContact CD1-C 3.48Å; L41-T297 VanDerWaalsContact CD1-C 3.44Å; L41-T297 WeakPolarHBondContact CD1-O 3.43Å; L41-L325 HydrophobicContact CD2-CB 3.59Å
42	A	84	Confident	64.6	Low	7 Å²	7	97.1 Å²	97.1	6%	0.058	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-57.8	130.4	174.9	0	0	0	0	0	109.2	K40 E47 L48 S298 F322	K40-A42 PolarHBondContact O-N 2.98Å; A42-E47 WeakPolarHBondContact CA-OE2 3.41Å; A42-E47 HydrophobicContact CB-CB 3.82Å; A42-L48 HydrophobicContact CB-CD2 3.7Å; A42-L48 HydrophobicContact CB-CG 4.36Å; A42-S298 WeakPolarHBondContact CB-OG 3.39Å; A42-S298 PolarHBondContact N-OG 2.85Å; A42-F322 HydrophobicContact CB-CZ 4.04Å; A42-F322 WeakPolarHBondContact O-CZ 3.19Å
43	R	83.2	Confident	68	Low	141 Å²	141	90.5 Å²	90.5	53%	0.532	47%	0.465	S	S	.	.	S	Bend	trans	-93.2	-29.3	176.1	-65.9	-177.9	171	-173.3	-6.7	112.1	L41 E47 E327	L41-R43 PolarHBondContact O-N 3.06Å; R43-E47 PolarHBondContact N-OE2 3.46Å; R43-E327 IonicContact CZ-OE1 3.82Å; R43-E327 IonicContact NE-OE1 2.91Å; R43-E327 PolarHBondContact NE-OE1 3.45Å; R43-E327 IonicContact NH1-OE1 3.81Å; R43-E327 IonicContact NH2-OE1 3.29Å; R43-E327 PolarHBondContact NH2-OE1 2.96Å; R43-E327 IonicContact NH2-OE2 2.91Å
44	T	85.8	Confident	71.4	Confident	63 Å²	63	82.3 Å²	82.3	39%	0.387	43%	0.427	S	S	.	.	S	Bend	trans	-124.1	156.8	179	65.4	0	0	0	0	110.2	I46 E47	T44-I46 PolarHBondContact O-N 3.49Å; T44-E47 PolarHBondContact N-OE1 3.49Å; T44-E47 WeakPolarHBondContact O-CB 3.3Å; T44-E47 PolarHBondContact O-N 2.86Å; T44-E47 WeakPolarHBondContact OG1-CG 3.35Å; T44-E47 PolarHBondContact OG1-OE1 3.38Å
45	R	89.5	Confident	74.9	Confident	27 Å²	27	75.5 Å²	75.5	10%	0.102	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.4	176.3	-71.2	-178.6	172.3	-93	-1.9	112.7	E47 L48 A247 G316 M317 D318 V319 G320 F322	R45-E47 VanDerWaalsContact C-N 3.29Å; R45-E47 PolarHBondContact O-N 2.92Å; R45-L48 VanDerWaalsContact O-CB 3.23Å; R45-L48 WeakPolarHBondContact O-CB 3.39Å; R45-L48 WeakPolarHBondContact O-CG 3.24Å; R45-L48 PolarHBondContact O-N 3.12Å; R45-L48 VanDerWaalsContact O-N 3.12Å; R45-A247 PolarHBondContact NH2-O 2.97Å; R45-G316 WeakPolarHBondContact CB-O 3.25Å; R45-G316 VanDerWaalsContact O-CA 3.26Å; R45-G316 WeakPolarHBondContact O-CA 3.4Å; R45-M317 PolarHBondContact NH1-O 3.07Å; R45-M317 VanDerWaalsContact NH1-O 3.1Å; R45-D318 IonicContact CZ-OD1 2.71Å; R45-D318 IonicContact NE-OD1 3.53Å; R45-D318 PolarHBondContact NE-OD1 2.93Å; R45-D318 IonicContact NH2-OD1 3.87Å; R45-D318 PolarHBondContact NH2-OD1 2.97Å; R45-V319 PolarHBondContact NH1-O 3.47Å; R45-G320 PolarHBondContact NH2-O 3.28Å; R45-F322 HydrophobicContact CG-CB 4.45Å; R45-F322 HydrophobicContact CG-CD1 3.93Å; R45-F322 HydrophobicContact CG-CE1 4.5Å; R45-F322 HydrophobicContact CG-CG 4.34Å
46	I	83.3	Confident	78.5	Confident	122 Å²	122	71.5 Å²	71.5	63%	0.626	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-62.7	-38.6	179.5	-65.5	170.6	0	0	0	110.8	T44 L48 N49	T44-I46 PolarHBondContact O-N 3.49Å; I46-L48 PolarHBondContact O-N 3.39Å; I46-L48 VanDerWaalsContact O-N 3.16Å; I46-N49 WeakPolarHBondContact O-CB 3.46Å; I46-N49 PolarHBondContact O-N 3.33Å; I46-N49 VanDerWaalsContact O-N 3.14Å
47	E	88.1	Confident	82	Confident	72 Å²	72	64.9 Å²	64.9	34%	0.336	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-64.5	-17.4	177.9	-69.9	162	-131.6	0	0	113.1	A42 R43 T44 R45 N49 D50	A42-E47 WeakPolarHBondContact CA-OE2 3.41Å; A42-E47 HydrophobicContact CB-CB 3.82Å; R43-E47 PolarHBondContact N-OE2 3.46Å; T44-E47 PolarHBondContact N-OE1 3.49Å; T44-E47 WeakPolarHBondContact O-CB 3.3Å; T44-E47 PolarHBondContact O-N 2.86Å; T44-E47 WeakPolarHBondContact OG1-CG 3.35Å; T44-E47 PolarHBondContact OG1-OE1 3.38Å; R45-E47 VanDerWaalsContact C-N 3.29Å; R45-E47 PolarHBondContact O-N 2.92Å; E47-N49 PolarHBondContact O-N 3.32Å; E47-D50 PolarHBondContact O-N 3.1Å
48	L	90.3	Very high	85.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-64	-23.1	174.9	-61	176	0	0	0	112.4	A42 R45 I46 D50 A51 L223 V300 V313 M314 F322	A42-L48 HydrophobicContact CB-CD2 3.7Å; A42-L48 HydrophobicContact CB-CG 4.36Å; R45-L48 VanDerWaalsContact O-CB 3.23Å; R45-L48 WeakPolarHBondContact O-CB 3.39Å; R45-L48 WeakPolarHBondContact O-CG 3.24Å; R45-L48 PolarHBondContact O-N 3.12Å; R45-L48 VanDerWaalsContact O-N 3.12Å; I46-L48 PolarHBondContact O-N 3.39Å; I46-L48 VanDerWaalsContact O-N 3.16Å; L48-D50 PolarHBondContact O-N 3.43Å; L48-A51 WeakPolarHBondContact O-CB 3.39Å; L48-A51 PolarHBondContact O-N 3.25Å; L48-L223 HydrophobicContact CD2-CD1 4.01Å; L48-V300 HydrophobicContact CD1-CG2 3.92Å; L48-V313 HydrophobicContact CD1-CG1 3.88Å; L48-M314 WeakPolarHBondContact O-CE 3.22Å; L48-F322 HydrophobicContact CD1-CD2 4.29Å; L48-F322 HydrophobicContact CD1-CE2 4.28Å; L48-F322 HydrophobicContact CD2-CE2 3.87Å; L48-F322 HydrophobicContact CD2-CZ 4.33Å; L48-F322 HydrophobicContact CG-CE2 4.4Å
49	N	90.1	Very high	88	Confident	74 Å²	74	52.4 Å²	52.4	40%	0.396	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62	-28.3	177.1	-166.8	5.9	0	0	0	112.2	I46 E47 A51 R91 M314	I46-N49 WeakPolarHBondContact O-CB 3.46Å; I46-N49 PolarHBondContact O-N 3.33Å; I46-N49 VanDerWaalsContact O-N 3.14Å; E47-N49 PolarHBondContact O-N 3.32Å; N49-A51 VanDerWaalsContact C-N 3.27Å; N49-A51 PolarHBondContact O-N 3.15Å; N49-R91 PolarHBondContact O-NH1 3.34Å; N49-R91 PolarHBondContact O-NH2 3.12Å; N49-R91 VanDerWaalsContact O-NH2 3.14Å; N49-R91 PolarHBondContact OD1-NH2 3.31Å; N49-M314 WeakPolarHBondContact CA-O 3.42Å; N49-M314 VanDerWaalsContact CB-O 3.24Å; N49-M314 WeakPolarHBondContact CB-O 3.33Å
50	D	89.9	Confident	89.8	Confident	122 Å²	122	49.2 Å²	49.2	65%	0.652	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-80.1	-6.7	-178.1	-64.2	-34.6	0	0	0	113.6	E47 L48 K52	E47-D50 PolarHBondContact O-N 3.1Å; L48-D50 PolarHBondContact O-N 3.43Å; D50-K52 PolarHBondContact O-N 3.39Å
51	A	93.5	Very high	90.9	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	21%	0.211	C	C	.	.			trans	-64.2	125.3	-178.2	0	0	0	0	0	111.9	L48 N49 I54 R91 D222 L223 M314	L48-A51 WeakPolarHBondContact O-CB 3.39Å; L48-A51 PolarHBondContact O-N 3.25Å; N49-A51 VanDerWaalsContact C-N 3.27Å; N49-A51 PolarHBondContact O-N 3.15Å; A51-I54 HydrophobicContact CB-CG1 4.39Å; A51-R91 PolarHBondContact O-NH1 3.05Å; A51-D222 HydrophobicContact CB-CB 3.66Å; A51-L223 HydrophobicContact CB-CB 3.95Å; A51-L223 HydrophobicContact CB-CD2 4.46Å; A51-M314 HydrophobicContact CB-CE 4.07Å
52	K	94.9	Very high	91.3	Very high	133 Å²	133	40.7 Å²	40.7	58%	0.578	20%	0.204	S	C	*	.			trans	-103.8	-38.6	-177.7	-62.7	-153.9	179.2	-170.2	0	113.2	D50 R91 Q92 D222	D50-K52 PolarHBondContact O-N 3.39Å; K52-R91 CarbonylContact O-C 3.42Å; K52-R91 WeakPolarHBondContact O-CA 3.42Å; K52-R91 WeakPolarHBondContact O-CB 3.45Å; K52-Q92 PolarHBondContact O-N 3.37Å; K52-D222 WeakPolarHBondContact CA-OD2 3.37Å; K52-D222 PolarHBondContact N-OD2 2.63Å
53	K	96.2	Very high	91.8	Very high	32 Å²	32	40.4 Å²	40.4	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.9	178.4	-168.1	-177	-61.1	-178	0	109.8	Q92 L219 S221 D222 L223	K53-Q92 WeakPolarHBondContact CA-O 3.5Å; K53-Q92 HydrophobicContact CG-CB 4.3Å; K53-L219 HydrophobicContact CD-CB 4.15Å; K53-L219 PolarHBondContact NZ-O 2.61Å; K53-L219 VanDerWaalsContact NZ-O 3.08Å; K53-S221 WeakPolarHBondContact O-CB 3.44Å; K53-D222 PolarHBondContact N-OD2 3.43Å; K53-D222 PolarHBondContact O-N 3.35Å; K53-L223 PolarHBondContact O-N 2.81Å
54	I	97.5	Very high	92.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.8	-167.1	-51.9	171.4	0	0	0	109.6	A51 I56 L86 R91 Q92 C93 I94 L223 L225 M314	A51-I54 HydrophobicContact CB-CG1 4.39Å; I54-I56 HydrophobicContact CG2-CD1 3.98Å; I54-I56 HydrophobicContact CG2-CG1 4.01Å; I54-L86 HydrophobicContact CD1-CD1 3.96Å; I54-R91 HydrophobicContact CD1-CB 4.41Å; I54-Q92 PolarHBondContact N-O 3.44Å; I54-C93 WeakPolarHBondContact O-CA 3.35Å; I54-I94 PolarHBondContact O-N 3.11Å; I54-L223 WeakPolarHBondContact CA-O 3.45Å; I54-L223 HydrophobicContact CG1-CB 4.47Å; I54-L223 HydrophobicContact CG2-CB 4.34Å; I54-L223 HydrophobicContact CG2-CD2 4.34Å; I54-L223 HydrophobicContact CG2-CG 4.35Å; I54-L225 HydrophobicContact CG2-CD1 4.29Å; I54-L225 HydrophobicContact CG2-CG 4.44Å; I54-M314 HydrophobicContact CD1-CE 3.69Å; I54-M314 HydrophobicContact CD1-SD 4.1Å
55	V	98.2	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.2	169.9	-179.6	0	0	0	0	108.2	I94 V96 A212 A216 S221 L223 L224 L225	V55-I94 HydrophobicContact CG2-CB 4.41Å; V55-I94 HydrophobicContact CG2-CD1 4Å; V55-V96 HydrophobicContact CG1-CG2 3.91Å; V55-A212 HydrophobicContact CG1-CB 4.28Å; V55-A216 HydrophobicContact CB-CB 4.22Å; V55-A216 HydrophobicContact CG2-CB 3.9Å; V55-S221 WeakPolarHBondContact CG2-OG 3.47Å; V55-L223 PolarHBondContact N-O 3.13Å; V55-L224 HydrophobicContact CB-CD1 3.88Å; V55-L224 HydrophobicContact CG1-CD1 3.68Å; V55-L224 CarbonylContact O-C 3.54Å; V55-L224 WeakPolarHBondContact O-CA 3.39Å; V55-L225 PolarHBondContact O-N 3Å
56	I	98.3	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.4	176.9	-61.1	115	0	0	0	108.5	I54 L58 I83 C93 I94 L95 V96 L225 I227 I310	I54-I56 HydrophobicContact CG2-CD1 3.98Å; I54-I56 HydrophobicContact CG2-CG1 4.01Å; I56-L58 HydrophobicContact CG2-CD2 4.14Å; I56-I83 HydrophobicContact CD1-CD1 4.19Å; I56-I83 HydrophobicContact CD1-CG1 3.99Å; I56-I83 HydrophobicContact CG2-CD1 4.34Å; I56-C93 HydrophobicContact CD1-CB 3.97Å; I56-I94 PolarHBondContact N-O 2.88Å; I56-L95 HydrophobicContact CB-CD1 4.24Å; I56-L95 HydrophobicContact CG2-CD1 4.02Å; I56-L95 CarbonylContact O-C 3.56Å; I56-L95 WeakPolarHBondContact O-CA 3.48Å; I56-V96 PolarHBondContact O-N 3.06Å; I56-L225 HydrophobicContact CG1-CB 4.34Å; I56-L225 HydrophobicContact CG1-CD1 4.11Å; I56-I227 HydrophobicContact CG2-CD1 3.67Å; I56-I227 HydrophobicContact CG2-CG1 4.11Å; I56-I310 HydrophobicContact CG2-CD1 4.26Å
57	K	97.3	Very high	91.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.9	176.9	-174.4	-92.7	170.5	172.4	0	111.1	G59 V96 D209 A212 L225 L226 I227	K57-G59 VanDerWaalsContact NZ-CA 3.35Å; K57-V96 CarbonylContact C-O 3.52Å; K57-V96 VanDerWaalsContact CA-O 3.22Å; K57-V96 WeakPolarHBondContact CA-O 3.38Å; K57-V96 HydrophobicContact CB-CB 4.2Å; K57-V96 HydrophobicContact CG-CB 4.13Å; K57-V96 HydrophobicContact CG-CG1 4.15Å; K57-D209 WeakPolarHBondContact CD-OD1 3.17Å; K57-D209 WeakPolarHBondContact CE-OD1 3.38Å; K57-D209 IonicContact NZ-OD1 3.34Å; K57-D209 PolarHBondContact NZ-OD1 3.49Å; K57-D209 IonicContact NZ-OD2 3.18Å; K57-A212 HydrophobicContact CB-CB 3.73Å; K57-A212 HydrophobicContact CG-CB 3.82Å; K57-L225 PolarHBondContact N-O 3.24Å; K57-L226 HydrophobicContact CB-CD2 3.85Å; K57-L226 HydrophobicContact CD-CD2 4.09Å; K57-L226 HydrophobicContact CG-CD2 4.23Å; K57-I227 WeakPolarHBondContact O-CA 3.17Å; K57-I227 VanDerWaalsContact O-CB 3.32Å; K57-I227 WeakPolarHBondContact O-CB 3.23Å; K57-I227 PolarHBondContact O-N 3.14Å
58	L	95.8	Very high	90.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.1	173.7	-54.6	-173.5	0	0	0	111.2	I56 V62 V63 L76 I79 L95 V96 S98 Y132 I227	I56-L58 HydrophobicContact CG2-CD2 4.14Å; L58-V62 HydrophobicContact CD2-CG1 4.39Å; L58-V63 HydrophobicContact CB-CG2 3.6Å; L58-V63 HydrophobicContact CD1-CG2 4.29Å; L58-L76 HydrophobicContact CD1-CD2 3.89Å; L58-I79 HydrophobicContact CD1-CG2 4.26Å; L58-I79 HydrophobicContact CD2-CD1 3.93Å; L58-I79 HydrophobicContact CD2-CG2 4.09Å; L58-L95 HydrophobicContact CD1-CD1 3.84Å; L58-L95 HydrophobicContact CD1-CD2 4.44Å; L58-L95 HydrophobicContact CD2-CD1 4.39Å; L58-L95 HydrophobicContact CG-CD1 3.71Å; L58-V96 PolarHBondContact N-O 3.27Å; L58-S98 VanDerWaalsContact O-CB 3.31Å; L58-S98 WeakPolarHBondContact O-CB 3.38Å; L58-S98 PolarHBondContact O-N 3.39Å; L58-S98 VanDerWaalsContact O-N 3.14Å; L58-S98 PolarHBondContact O-OG 3.34Å; L58-Y132 HydrophobicContact CD1-CE1 4.49Å; L58-Y132 WeakPolarHBondContact CD1-OH 3.5Å; L58-I227 HydrophobicContact CD2-CB 3.76Å; L58-I227 HydrophobicContact CD2-CD1 3.71Å; L58-I227 HydrophobicContact CD2-CG1 3.97Å; L58-I227 HydrophobicContact CD2-CG2 4.15Å
59	G	91.9	Very high	90.1	Very high	5 Å²	5	41 Å²	41	5%	0.052	22%	0.224	C	C	.	.			trans	-71.5	155.3	172.1	0	0	0	0	0	113.7	K57 A61 V62 V63 I227	K57-G59 VanDerWaalsContact NZ-CA 3.35Å; G59-A61 VanDerWaalsContact C-N 3.27Å; G59-A61 PolarHBondContact O-N 3.2Å; G59-V62 WeakPolarHBondContact O-CA 3.39Å; G59-V62 VanDerWaalsContact O-CB 3.3Å; G59-V62 WeakPolarHBondContact O-CB 3.4Å; G59-V62 PolarHBondContact O-N 2.81Å; G59-V63 WeakPolarHBondContact O-CG2 3.35Å; G59-V63 PolarHBondContact O-N 3.26Å; G59-I227 PolarHBondContact N-O 3.16Å
60	S	89.9	Confident	89.9	Confident	19 Å²	19	37.9 Å²	37.9	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-53.5	-43.9	-179.5	-55.7	0	0	0	0	112.2	V62 V63 T64 S98 G99	S60-V62 PolarHBondContact O-N 2.97Å; S60-V63 PolarHBondContact O-N 2.73Å; S60-V63 VanDerWaalsContact O-N 3.09Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 3.37Å; S60-S98 WeakPolarHBondContact OG-CB 3.29Å; S60-G99 PolarHBondContact OG-N 2.66Å
61	A	89	Confident	89.9	Confident	24 Å²	24	33 Å²	33	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-20	177.8	0	0	0	0	0	114.2	G59 R75 D229	G59-A61 VanDerWaalsContact C-N 3.27Å; G59-A61 PolarHBondContact O-N 3.2Å; A61-R75 PolarHBondContact O-NH1 3.35Å; A61-D229 HydrophobicContact CB-CB 3.92Å
62	V	91.7	Very high	89.8	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-80.5	-38.9	172.1	-177.2	0	0	0	0	110.1	L58 G59 S60 R75 I79 I227 S228	L58-V62 HydrophobicContact CD2-CG1 4.39Å; G59-V62 WeakPolarHBondContact O-CA 3.39Å; G59-V62 VanDerWaalsContact O-CB 3.3Å; G59-V62 WeakPolarHBondContact O-CB 3.4Å; G59-V62 PolarHBondContact O-N 2.81Å; S60-V62 PolarHBondContact O-N 2.97Å; V62-R75 VanDerWaalsContact C-NH1 3.29Å; V62-R75 VanDerWaalsContact CA-NH1 3.32Å; V62-R75 WeakPolarHBondContact O-CD 3.33Å; V62-R75 PolarHBondContact O-NH1 2.95Å; V62-I79 HydrophobicContact CG1-CD1 3.77Å; V62-I227 HydrophobicContact CG1-CG2 4.03Å; V62-I227 HydrophobicContact CG2-CG2 4.19Å; V62-I227 WeakPolarHBondContact CG2-O 3.5Å; V62-S228 WeakPolarHBondContact CG2-O 3.48Å
63	V	92.6	Very high	89.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-80.1	-35.9	-176.6	178.9	0	0	0	0	112.5	L58 G59 S60 L71 A72 L76 S98 M128	L58-V63 HydrophobicContact CB-CG2 3.6Å; L58-V63 HydrophobicContact CD1-CG2 4.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.35Å; G59-V63 PolarHBondContact O-N 3.26Å; S60-V63 PolarHBondContact O-N 2.73Å; S60-V63 VanDerWaalsContact O-N 3.09Å; V63-L71 HydrophobicContact CG1-CD2 3.48Å; V63-L71 VanDerWaalsContact CG1-CD2 3.48Å; V63-L71 WeakPolarHBondContact O-CA 3.45Å; V63-A72 PolarHBondContact O-N 2.75Å; V63-L76 HydrophobicContact CB-CD2 4.49Å; V63-L76 HydrophobicContact CG1-CD1 4.33Å; V63-L76 HydrophobicContact CG1-CD2 4.41Å; V63-L76 HydrophobicContact CG2-CD2 4.27Å; V63-S98 WeakPolarHBondContact CG1-O 3.41Å; V63-S98 WeakPolarHBondContact CG2-O 3.28Å; V63-M128 HydrophobicContact CG1-CE 3.71Å; V63-M128 HydrophobicContact CG1-SD 4.33Å
64	T	89.7	Confident	89.3	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.031	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-100.2	156.8	-179.4	64.9	0	0	0	0	112.1	S60 G70 A102	S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 3.37Å; T64-G70 WeakPolarHBondContact CA-O 3.4Å; T64-A102 HydrophobicContact CG2-CB 4.15Å
65	K	87.1	Confident	89.1	Confident	86 Å²	86	32.6 Å²	32.6	37%	0.374	20%	0.196	S	C	.	.			trans	-69.9	155.6	170.7	-67.2	174.4	178.8	177.6	0	111.3	D67 L68 S69 G70 L71 A72	K65-D67 WeakPolarHBondContact CB-OD1 3.32Å; K65-D67 PolarHBondContact O-N 3.21Å; K65-L68 PolarHBondContact O-N 3.04Å; K65-L68 VanDerWaalsContact O-N 3.07Å; K65-S69 WeakPolarHBondContact CD-OG 3.47Å; K65-G70 PolarHBondContact N-O 2.68Å; K65-L71 WeakPolarHBondContact CE-O 3.36Å; K65-A72 HydrophobicContact CG-CB 4.36Å
66	P	80.5	Confident	88.9	Confident	123 Å²	123	32.7 Å²	32.7	80%	0.799	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.8	178.5	-21.7	32.6	0	0	0	113.9	L68	P66-L68 VanDerWaalsContact C-N 3.28Å
67	D	79.9	Confident	88.7	Confident	108 Å²	108	33.1 Å²	33.1	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.2	178.8	67.3	-10.8	0	0	0	113.4	K65 S69	K65-D67 WeakPolarHBondContact CB-OD1 3.32Å; K65-D67 PolarHBondContact O-N 3.21Å; D67-S69 PolarHBondContact O-N 3.22Å; D67-S69 VanDerWaalsContact O-N 3.14Å; D67-S69 WeakPolarHBondContact OD1-CB 3.47Å; D67-S69 PolarHBondContact OD1-N 3.43Å; D67-S69 PolarHBondContact OD1-OG 3.08Å; D67-S69 VanDerWaalsContact OD2-CB 3.32Å; D67-S69 WeakPolarHBondContact OD2-CB 3.42Å; D67-S69 PolarHBondContact OD2-OG 3.14Å
68	L	70.7	Confident	88.6	Confident	72 Å²	72	34 Å²	34	38%	0.377	21%	0.208	S	C	.	.			trans	59.4	19.8	-177.3	-52.3	175.8	0	0	0	114.8	K65 P66 G70 H106 V277	K65-L68 PolarHBondContact O-N 3.04Å; K65-L68 VanDerWaalsContact O-N 3.07Å; P66-L68 VanDerWaalsContact C-N 3.28Å; L68-G70 PolarHBondContact O-N 3.25Å; L68-G70 VanDerWaalsContact O-N 3.11Å; L68-H106 PolarHBondContact O-CD2 3.02Å; L68-V277 HydrophobicContact CD1-CG1 3.37Å; L68-V277 HydrophobicContact CD2-CB 4.1Å; L68-V277 HydrophobicContact CD2-CG1 3.21Å; L68-V277 HydrophobicContact CD2-CG2 4.19Å; L68-V277 HydrophobicContact CG-CG1 3.88Å
69	S	77.6	Confident	88.6	Confident	45 Å²	45	34 Å²	34	32%	0.315	21%	0.208	S	C	.	.	S	Bend	trans	-75.4	8.5	176.7	68	0	0	0	0	114.2	K65 D67	K65-S69 WeakPolarHBondContact CD-OG 3.47Å; D67-S69 PolarHBondContact O-N 3.22Å; D67-S69 VanDerWaalsContact O-N 3.14Å; D67-S69 WeakPolarHBondContact OD1-CB 3.47Å; D67-S69 PolarHBondContact OD1-N 3.43Å; D67-S69 PolarHBondContact OD1-OG 3.08Å; D67-S69 VanDerWaalsContact OD2-CB 3.32Å; D67-S69 WeakPolarHBondContact OD2-CB 3.42Å; D67-S69 PolarHBondContact OD2-OG 3.14Å
70	G	85.1	Confident	88.8	Confident	10 Å²	10	33.9 Å²	33.9	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	132.3	-155.1	178.4	0	0	0	0	0	113.7	T64 K65 L68	T64-G70 WeakPolarHBondContact CA-O 3.4Å; K65-G70 PolarHBondContact N-O 2.68Å; L68-G70 PolarHBondContact O-N 3.25Å; L68-G70 VanDerWaalsContact O-N 3.11Å
71	L	89.6	Confident	89.1	Confident	19 Å²	19	35.6 Å²	35.6	10%	0.099	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-76	142.3	-177	-65.8	170.2	0	0	0	112.5	V63 K65 L73 L76 L103 M128 L131	V63-L71 HydrophobicContact CG1-CD2 3.48Å; V63-L71 VanDerWaalsContact CG1-CD2 3.48Å; V63-L71 WeakPolarHBondContact O-CA 3.45Å; K65-L71 WeakPolarHBondContact CE-O 3.36Å; L71-L73 PolarHBondContact O-N 2.9Å; L71-L76 HydrophobicContact CB-CD1 4.15Å; L71-L76 HydrophobicContact CD2-CD1 4.29Å; L71-L103 HydrophobicContact CD1-CD1 4.43Å; L71-L103 HydrophobicContact CD1-CD2 3.84Å; L71-L103 HydrophobicContact CD2-CD1 3.93Å; L71-L103 HydrophobicContact CD2-CD2 3.96Å; L71-L103 HydrophobicContact CG-CD1 3.66Å; L71-L103 HydrophobicContact CG-CD2 3.88Å; L71-L103 HydrophobicContact CG-CG 4.44Å; L71-M128 HydrophobicContact CD1-CG 4.36Å; L71-M128 HydrophobicContact CD2-CG 4.1Å; L71-L131 HydrophobicContact CB-CD2 4.19Å; L71-L131 HydrophobicContact CD1-CB 4.22Å; L71-L131 HydrophobicContact CD1-CD2 3.47Å; L71-L131 VanDerWaalsContact CD1-CD2 3.47Å; L71-L131 HydrophobicContact CD1-CG 4.39Å; L71-L131 HydrophobicContact CG-CD2 4.35Å
72	A	91.4	Very high	89.5	Confident	9 Å²	9	34.9 Å²	34.9	7%	0.074	21%	0.205	C	C	.	.			trans	-81	66.9	175.7	0	0	0	0	0	111	V63 K65 G74 R75 L76	V63-A72 PolarHBondContact O-N 2.75Å; K65-A72 HydrophobicContact CG-CB 4.36Å; A72-G74 PolarHBondContact O-N 2.81Å; A72-R75 HydrophobicContact CB-CB 4.19Å; A72-R75 WeakPolarHBondContact O-CB 3.22Å; A72-R75 PolarHBondContact O-N 2.99Å; A72-L76 PolarHBondContact O-N 3.41Å
73	L	91.5	Very high	89.7	Confident	40 Å²	40	34.8 Å²	34.8	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-50.3	-48.1	-167.1	-144.6	98	0	0	0	114.7	L7 I10 L71 R75 L76 A77 L131	L7-L73 HydrophobicContact CD2-CD1 4.47Å; L7-L73 HydrophobicContact CD2-CD2 3.68Å; I10-L73 HydrophobicContact CD1-CB 4.5Å; I10-L73 HydrophobicContact CD1-CD2 3.56Å; L71-L73 PolarHBondContact O-N 2.9Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.08Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.32Å; L73-L131 HydrophobicContact CD1-CD1 3.46Å; L73-L131 VanDerWaalsContact CD1-CD1 3.46Å; L73-L131 HydrophobicContact CD1-CD2 3.92Å; L73-L131 HydrophobicContact CD1-CG 4.36Å; L73-L131 HydrophobicContact CG-CD1 4.38Å
74	G	90.3	Very high	89.9	Confident	49 Å²	49	34.9 Å²	34.9	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-33.4	-179	0	0	0	0	0	113.3	A72 A78	A72-G74 PolarHBondContact O-N 2.81Å; G74-A78 PolarHBondContact O-N 3.43Å
75	R	92.5	Very high	90.2	Very high	65 Å²	65	38.4 Å²	38.4	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-72.2	-43.3	175.8	-165.5	-172.3	-55.8	144.9	-10	110.9	A61 V62 A72 L73 A78 I79 G304	A61-R75 PolarHBondContact O-NH1 3.35Å; V62-R75 VanDerWaalsContact C-NH1 3.29Å; V62-R75 VanDerWaalsContact CA-NH1 3.32Å; V62-R75 WeakPolarHBondContact O-CD 3.33Å; V62-R75 PolarHBondContact O-NH1 2.95Å; A72-R75 HydrophobicContact CB-CB 4.19Å; A72-R75 WeakPolarHBondContact O-CB 3.22Å; A72-R75 PolarHBondContact O-N 2.99Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.08Å; R75-A78 PolarHBondContact O-N 2.78Å; R75-I79 HydrophobicContact CG-CD1 4.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.34Å; R75-I79 PolarHBondContact O-N 3.27Å; R75-G304 WeakPolarHBondContact CD-O 3.45Å; R75-G304 VanDerWaalsContact CG-O 3.22Å; R75-G304 WeakPolarHBondContact CG-O 3.18Å
76	L	94.3	Very high	90.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176.4	-69.1	174.3	0	0	0	111.5	L58 V63 L71 A72 L73 A78 I79 V80 L131 Y132 L135	L58-L76 HydrophobicContact CD1-CD2 3.89Å; V63-L76 HydrophobicContact CB-CD2 4.49Å; V63-L76 HydrophobicContact CG1-CD1 4.33Å; V63-L76 HydrophobicContact CG1-CD2 4.41Å; V63-L76 HydrophobicContact CG2-CD2 4.27Å; L71-L76 HydrophobicContact CB-CD1 4.15Å; L71-L76 HydrophobicContact CD2-CD1 4.29Å; A72-L76 PolarHBondContact O-N 3.41Å; L73-L76 PolarHBondContact O-N 2.88Å; L76-A78 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 2.91Å; L76-V80 WeakPolarHBondContact O-CB 3.36Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.22Å; L76-V80 PolarHBondContact O-N 3.22Å; L76-L131 HydrophobicContact CD1-CD2 3.65Å; L76-Y132 HydrophobicContact CD2-CE1 4.1Å; L76-L135 HydrophobicContact CB-CD1 4.03Å
77	A	94.3	Very high	91.4	Very high	9 Å²	9	29.7 Å²	29.7	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-45.4	176.6	0	0	0	0	0	112.1	I14 L73 I79 V80 E81 L135	I14-A77 HydrophobicContact CD1-CB 3.95Å; L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.32Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 PolarHBondContact O-N 3.42Å; A77-V80 PolarHBondContact O-N 3.36Å; A77-E81 PolarHBondContact O-N 3.5Å; A77-L135 HydrophobicContact CB-CD2 4.03Å
78	A	94.2	Very high	92	Very high	22 Å²	22	31 Å²	31	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-36	177.8	0	0	0	0	0	113.1	G74 R75 L76 Q82	G74-A78 PolarHBondContact O-N 3.43Å; R75-A78 PolarHBondContact O-N 2.78Å; L76-A78 PolarHBondContact O-N 2.91Å; A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 2.94Å; A78-Q82 PolarHBondContact O-NE2 2.78Å
79	I	96.1	Very high	93.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-69.6	-43.1	174.8	-72	171.7	0	0	0	110.5	L58 V62 R75 L76 A77 E81 Q82 I83 I227 I310	L58-I79 HydrophobicContact CD1-CG2 4.26Å; L58-I79 HydrophobicContact CD2-CD1 3.93Å; L58-I79 HydrophobicContact CD2-CG2 4.09Å; V62-I79 HydrophobicContact CG1-CD1 3.77Å; R75-I79 HydrophobicContact CG-CD1 4.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.34Å; R75-I79 PolarHBondContact O-N 3.27Å; L76-I79 PolarHBondContact O-N 2.91Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 PolarHBondContact O-N 3.42Å; I79-E81 PolarHBondContact O-N 3.25Å; I79-Q82 PolarHBondContact O-N 3.36Å; I79-I83 HydrophobicContact CG2-CD1 3.91Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CG1 3.48Å; I79-I83 PolarHBondContact O-N 2.87Å; I79-I227 HydrophobicContact CD1-CG2 4.46Å; I79-I310 HydrophobicContact CG2-CD1 4.04Å
80	V	96.3	Very high	93.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-41.9	178.5	168.4	0	0	0	0	111.3	L76 A77 Q82 I83 A84 Y132 L135 F136	L76-V80 WeakPolarHBondContact O-CB 3.36Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.22Å; L76-V80 PolarHBondContact O-N 3.22Å; A77-V80 PolarHBondContact O-N 3.36Å; V80-Q82 VanDerWaalsContact C-N 3.33Å; V80-Q82 PolarHBondContact O-N 3.25Å; V80-I83 PolarHBondContact O-N 3.47Å; V80-A84 WeakPolarHBondContact O-CB 3.34Å; V80-A84 PolarHBondContact O-N 2.91Å; V80-Y132 HydrophobicContact CG2-CD1 4.41Å; V80-L135 HydrophobicContact CB-CB 4.32Å; V80-L135 HydrophobicContact CG1-CB 4.01Å; V80-L135 HydrophobicContact CG2-CB 4.08Å; V80-L135 HydrophobicContact CG2-CD1 4.22Å; V80-F136 HydrophobicContact CB-CZ 4.44Å; V80-F136 HydrophobicContact CG1-CD1 3.71Å; V80-F136 HydrophobicContact CG1-CD2 4.14Å; V80-F136 HydrophobicContact CG1-CE1 3.83Å; V80-F136 HydrophobicContact CG1-CE2 4.26Å; V80-F136 HydrophobicContact CG1-CG 3.87Å; V80-F136 HydrophobicContact CG1-CZ 4.11Å; V80-F136 HydrophobicContact CG2-CD2 4.22Å; V80-F136 HydrophobicContact CG2-CE2 3.8Å; V80-F136 HydrophobicContact CG2-CZ 3.95Å
81	E	96.2	Very high	94.3	Very high	56 Å²	56	34.6 Å²	34.6	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-56.7	-45.4	173.6	-96.6	-175.7	157.2	0	0	111.9	I14 N18 A77 I79 I83 A84 E85	I14-E81 VanDerWaalsContact CG2-OE1 3.28Å; I14-E81 WeakPolarHBondContact CG2-OE1 3.49Å; N18-E81 PolarHBondContact ND2-OE1 3.49Å; A77-E81 PolarHBondContact O-N 3.5Å; I79-E81 PolarHBondContact O-N 3.25Å; E81-I83 PolarHBondContact O-N 2.77Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.33Å; E81-E85 WeakPolarHBondContact O-CB 3.48Å; E81-E85 PolarHBondContact O-N 3.21Å
82	Q	97.2	Very high	94.7	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-41.4	177.9	-70.7	168.7	77	0	0	112.2	A78 I79 V80 A84 E85 L86 F307 N308 C309 I310 T311	A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 2.94Å; A78-Q82 PolarHBondContact O-NE2 2.78Å; I79-Q82 PolarHBondContact O-N 3.36Å; V80-Q82 VanDerWaalsContact C-N 3.33Å; V80-Q82 PolarHBondContact O-N 3.25Å; Q82-A84 VanDerWaalsContact C-N 3.26Å; Q82-A84 PolarHBondContact O-N 2.77Å; Q82-E85 PolarHBondContact O-N 3.46Å; Q82-L86 WeakPolarHBondContact O-CG 3.5Å; Q82-L86 PolarHBondContact O-N 3.49Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; Q82-F307 PolarHBondContact NE2-O 3.49Å; Q82-N308 VanDerWaalsContact OE1-CA 3.32Å; Q82-C309 VanDerWaalsContact OE1-N 3.08Å; Q82-I310 HydrophobicContact CB-CB 4.08Å; Q82-I310 HydrophobicContact CB-CD1 4.22Å; Q82-T311 PolarHBondContact OE1-OG1 2.8Å
83	I	97.2	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-39.2	175	-64.5	173.9	0	0	0	110.2	I56 I79 V80 E81 L86 C87 C93 L95 F136 V175 I310	I56-I83 HydrophobicContact CD1-CD1 4.19Å; I56-I83 HydrophobicContact CD1-CG1 3.99Å; I56-I83 HydrophobicContact CG2-CD1 4.34Å; I79-I83 HydrophobicContact CG2-CD1 3.91Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CG1 3.48Å; I79-I83 PolarHBondContact O-N 2.87Å; V80-I83 PolarHBondContact O-N 3.47Å; E81-I83 PolarHBondContact O-N 2.77Å; I83-L86 PolarHBondContact O-N 3.28Å; I83-C87 PolarHBondContact O-N 2.89Å; I83-C87 PolarHBondContact O-SG 3.45Å; I83-C93 HydrophobicContact CG2-CB 3.65Å; I83-L95 HydrophobicContact CD1-CD1 3.94Å; I83-F136 HydrophobicContact CB-CE1 4.12Å; I83-F136 HydrophobicContact CB-CZ 4.32Å; I83-F136 HydrophobicContact CD1-CZ 4.17Å; I83-F136 HydrophobicContact CG2-CE1 3.74Å; I83-F136 HydrophobicContact CG2-CZ 4.01Å; I83-V175 HydrophobicContact CG2-CG1 4.48Å; I83-I310 HydrophobicContact CG1-CD1 3.96Å
84	A	96.3	Very high	95.3	Very high	2 Å²	2	34 Å²	34	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-42.1	178.8	0	0	0	0	0	112.2	V80 E81 Q82 L86 C87 Q88 C139 L141	V80-A84 WeakPolarHBondContact O-CB 3.34Å; V80-A84 PolarHBondContact O-N 2.91Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.33Å; Q82-A84 VanDerWaalsContact C-N 3.26Å; Q82-A84 PolarHBondContact O-N 2.77Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 3.32Å; A84-C87 PolarHBondContact O-N 2.91Å; A84-C87 VanDerWaalsContact O-N 3.12Å; A84-Q88 VanDerWaalsContact O-CG 3.3Å; A84-Q88 WeakPolarHBondContact O-CG 3.22Å; A84-Q88 PolarHBondContact O-N 2.89Å; A84-C139 HydrophobicContact CB-CB 3.54Å; A84-L141 HydrophobicContact CB-CD1 3.58Å
85	E	96	Very high	95.7	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	17%	0.17	S	C	.	.	H	α-helix	trans	-58.8	-41.8	175.2	-155.7	170.6	-149.7	0	0	111.2	E81 Q82 Q88 Q89	E81-E85 WeakPolarHBondContact O-CB 3.48Å; E81-E85 PolarHBondContact O-N 3.21Å; Q82-E85 PolarHBondContact O-N 3.46Å; E85-Q88 PolarHBondContact O-N 3.41Å; E85-Q89 VanDerWaalsContact O-CG 3.32Å; E85-Q89 WeakPolarHBondContact O-CG 3.19Å; E85-Q89 PolarHBondContact O-N 3.32Å; E85-Q89 VanDerWaalsContact O-N 3.14Å
86	L	96	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-42.6	172.9	-65.8	-177	0	0	0	113	I54 Q82 I83 A84 Q88 Q89 R91 I310 M314	I54-L86 HydrophobicContact CD1-CD1 3.96Å; Q82-L86 WeakPolarHBondContact O-CG 3.5Å; Q82-L86 PolarHBondContact O-N 3.49Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; I83-L86 PolarHBondContact O-N 3.28Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 3.32Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 3Å; L86-Q89 WeakPolarHBondContact O-CB 3.39Å; L86-Q89 PolarHBondContact O-N 3.4Å; L86-R91 HydrophobicContact CB-CB 4.44Å; L86-R91 VanDerWaalsContact O-CB 3.29Å; L86-R91 WeakPolarHBondContact O-CB 3.25Å; L86-R91 WeakPolarHBondContact O-CG 3.41Å; L86-R91 PolarHBondContact O-N 3.41Å; L86-R91 VanDerWaalsContact O-N 3.16Å; L86-I310 HydrophobicContact CD1-CG2 3.49Å; L86-I310 VanDerWaalsContact CD1-CG2 3.49Å; L86-I310 HydrophobicContact CG-CG2 4.41Å; L86-M314 HydrophobicContact CD1-CG 4.13Å; L86-M314 HydrophobicContact CD2-CB 4.34Å; L86-M314 HydrophobicContact CD2-CG 3.71Å
87	C	95.8	Very high	96	Very high	25 Å²	25	28.6 Å²	28.6	17%	0.169	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-39.5	177.4	-64.9	0	0	0	0	111.5	I83 A84 Q89 G90 R91 L141	I83-C87 PolarHBondContact O-N 2.89Å; I83-C87 PolarHBondContact O-SG 3.45Å; A84-C87 PolarHBondContact O-N 2.91Å; A84-C87 VanDerWaalsContact O-N 3.12Å; C87-Q89 PolarHBondContact O-N 3.32Å; C87-G90 WeakPolarHBondContact O-CA 3.28Å; C87-G90 PolarHBondContact O-N 3.37Å; C87-R91 WeakPolarHBondContact CA-O 3.43Å; C87-L141 HydrophobicContact CB-CD1 3.9Å; C87-L141 HydrophobicContact CB-CD2 4.05Å
88	Q	93.3	Very high	95.9	Very high	135 Å²	135	28.5 Å²	28.5	63%	0.631	16%	0.157	S	C	*	.	H	α-helix	trans	-64.9	-27.8	175.9	-70.8	170.5	11.8	0	0	112.6	A84 E85 L86 G90	A84-Q88 VanDerWaalsContact O-CG 3.3Å; A84-Q88 WeakPolarHBondContact O-CG 3.22Å; A84-Q88 PolarHBondContact O-N 2.89Å; E85-Q88 PolarHBondContact O-N 3.41Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 3Å; Q88-G90 PolarHBondContact O-N 3.25Å
89	Q	93.2	Very high	95.6	Very high	109 Å²	109	27.7 Å²	27.7	51%	0.509	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	3.6	170.4	-66.4	170.5	7.2	0	0	113.6	E85 L86 C87 R91	E85-Q89 VanDerWaalsContact O-CG 3.32Å; E85-Q89 WeakPolarHBondContact O-CG 3.19Å; E85-Q89 PolarHBondContact O-N 3.32Å; E85-Q89 VanDerWaalsContact O-N 3.14Å; L86-Q89 WeakPolarHBondContact O-CB 3.39Å; L86-Q89 PolarHBondContact O-N 3.4Å; C87-Q89 PolarHBondContact O-N 3.32Å; Q89-R91 HydrophobicContact CB-CG 4.46Å; Q89-R91 VanDerWaalsContact OE1-NE 3.13Å
90	G	93.5	Very high	95.4	Very high	64 Å²	64	27.8 Å²	27.8	66%	0.66	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	17.3	179.2	0	0	0	0	0	114.5	C87 Q88	C87-G90 WeakPolarHBondContact O-CA 3.28Å; C87-G90 PolarHBondContact O-N 3.37Å; Q88-G90 PolarHBondContact O-N 3.25Å
91	R	95.5	Very high	95	Very high	30 Å²	30	29.2 Å²	29.2	11%	0.113	16%	0.159	C	C	.	.			trans	-88.7	148.7	175.8	-50.9	179.3	-168.1	-119.2	6.3	110.7	N49 A51 K52 I54 L86 C87 Q89	N49-R91 PolarHBondContact O-NH1 3.34Å; N49-R91 PolarHBondContact O-NH2 3.12Å; N49-R91 VanDerWaalsContact O-NH2 3.14Å; N49-R91 PolarHBondContact OD1-NH2 3.31Å; A51-R91 PolarHBondContact O-NH1 3.05Å; K52-R91 CarbonylContact O-C 3.42Å; K52-R91 WeakPolarHBondContact O-CA 3.42Å; K52-R91 WeakPolarHBondContact O-CB 3.45Å; I54-R91 HydrophobicContact CD1-CB 4.41Å; L86-R91 HydrophobicContact CB-CB 4.44Å; L86-R91 VanDerWaalsContact O-CB 3.29Å; L86-R91 WeakPolarHBondContact O-CB 3.25Å; L86-R91 WeakPolarHBondContact O-CG 3.41Å; L86-R91 PolarHBondContact O-N 3.41Å; L86-R91 VanDerWaalsContact O-N 3.16Å; C87-R91 WeakPolarHBondContact CA-O 3.43Å; Q89-R91 HydrophobicContact CB-CG 4.46Å; Q89-R91 VanDerWaalsContact OE1-NE 3.13Å
92	Q	96.8	Very high	94.4	Very high	53 Å²	53	27.3 Å²	27.3	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.6	175.9	-72.2	-173.3	-34.2	0	0	110	K52 K53 I54 L170	K52-Q92 PolarHBondContact O-N 3.37Å; K53-Q92 WeakPolarHBondContact CA-O 3.5Å; K53-Q92 HydrophobicContact CG-CB 4.3Å; I54-Q92 PolarHBondContact N-O 3.44Å; Q92-L170 HydrophobicContact CB-CD2 4.32Å; Q92-L170 PolarHBondContact NE2-O 3.26Å
93	C	97.8	Very high	94	Very high	3 Å²	3	27 Å²	27	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.4	-178.4	-65.9	0	0	0	0	112.2	I54 I56 I83 P176	I54-C93 WeakPolarHBondContact O-CA 3.35Å; I56-C93 HydrophobicContact CD1-CB 3.97Å; I83-C93 HydrophobicContact CG2-CB 3.65Å; C93-P176 WeakPolarHBondContact O-CD 3.38Å
94	I	98.4	Very high	93.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.7	174.5	-59.9	152.6	0	0	0	108.5	I54 V55 I56 L170 P176 I178 L219	I54-I94 PolarHBondContact O-N 3.11Å; V55-I94 HydrophobicContact CG2-CB 4.41Å; V55-I94 HydrophobicContact CG2-CD1 4Å; I56-I94 PolarHBondContact N-O 2.88Å; I94-L170 HydrophobicContact CD1-CD1 4.04Å; I94-L170 HydrophobicContact CD1-CD2 4.41Å; I94-L170 HydrophobicContact CG1-CD1 4.31Å; I94-L170 HydrophobicContact CG1-CD2 3.8Å; I94-P176 HydrophobicContact CG1-CG 4.33Å; I94-P176 HydrophobicContact CG2-CB 4.48Å; I94-I178 HydrophobicContact CG2-CD1 3.61Å; I94-I178 HydrophobicContact CG2-CG1 4.13Å; I94-L219 HydrophobicContact CD1-CD1 3.31Å
95	L	98.1	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.9	-179.9	-173.6	60.2	0	0	0	110.9	I56 L58 I83 Y132 F136 P176 I177 I178	I56-L95 HydrophobicContact CB-CD1 4.24Å; I56-L95 HydrophobicContact CG2-CD1 4.02Å; I56-L95 CarbonylContact O-C 3.56Å; I56-L95 WeakPolarHBondContact O-CA 3.48Å; L58-L95 HydrophobicContact CD1-CD1 3.84Å; L58-L95 HydrophobicContact CD1-CD2 4.44Å; L58-L95 HydrophobicContact CD2-CD1 4.39Å; L58-L95 HydrophobicContact CG-CD1 3.71Å; I83-L95 HydrophobicContact CD1-CD1 3.94Å; L95-Y132 HydrophobicContact CD2-CD1 3.82Å; L95-Y132 HydrophobicContact CD2-CE1 3.55Å; L95-Y132 HydrophobicContact CD2-CE2 4.44Å; L95-Y132 HydrophobicContact CD2-CG 4.41Å; L95-F136 HydrophobicContact CD2-CE2 3.99Å; L95-F136 HydrophobicContact CD2-CZ 4.27Å; L95-P176 PolarHBondContact N-O 2.82Å; L95-I177 HydrophobicContact CB-CD1 4.02Å; L95-I177 HydrophobicContact CD2-CD1 3.94Å; L95-I177 HydrophobicContact CG-CD1 4.49Å; L95-I177 CarbonylContact O-C 3.46Å; L95-I177 WeakPolarHBondContact O-CA 3.18Å; L95-I178 PolarHBondContact O-N 2.77Å
96	V	97.5	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.6	169.3	-175.9	0	0	0	0	108.8	V55 I56 K57 L58 I178 N208 L211 A212 L215	V55-V96 HydrophobicContact CG1-CG2 3.91Å; I56-V96 PolarHBondContact O-N 3.06Å; K57-V96 CarbonylContact C-O 3.52Å; K57-V96 VanDerWaalsContact CA-O 3.22Å; K57-V96 WeakPolarHBondContact CA-O 3.38Å; K57-V96 HydrophobicContact CB-CB 4.2Å; K57-V96 HydrophobicContact CG-CB 4.13Å; K57-V96 HydrophobicContact CG-CG1 4.15Å; L58-V96 PolarHBondContact N-O 3.27Å; V96-I178 CarbonylContact C-O 3.26Å; V96-I178 VanDerWaalsContact CA-O 3.31Å; V96-I178 WeakPolarHBondContact CA-O 3.39Å; V96-I178 HydrophobicContact CG2-CB 4.39Å; V96-N208 HydrophobicContact CG1-CB 4.29Å; V96-L211 HydrophobicContact CG1-CD2 3.99Å; V96-L211 HydrophobicContact CG1-CG 4.31Å; V96-A212 HydrophobicContact CB-CB 4.07Å; V96-A212 HydrophobicContact CG1-CB 4.1Å; V96-A212 HydrophobicContact CG2-CB 3.97Å; V96-L215 HydrophobicContact CG2-CD1 4.25Å
97	T	95.6	Very high	91.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.9	-173.9	-165.8	0	0	0	0	112.3	M125 M128 Y132 I177 I178 N179 N208	T97-M125 HydrophobicContact CG2-CE 4.4Å; T97-M128 HydrophobicContact CG2-CE 3.54Å; T97-M128 WeakPolarHBondContact OG1-CE 3.29Å; T97-Y132 HydrophobicContact CG2-CE2 3.96Å; T97-Y132 WeakPolarHBondContact OG1-CE2 3.38Å; T97-Y132 PolarHBondContact OG1-OH 3.35Å; T97-I177 HydrophobicContact CG2-CG2 4.17Å; T97-I178 PolarHBondContact N-O 2.89Å; T97-N179 HydrophobicContact CG2-CB 4.09Å; T97-N179 PolarHBondContact O-OD1 3.09Å; T97-N208 PolarHBondContact O-ND2 3.19Å
98	S	92	Very high	90.9	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.196	C	C	.	.			trans	-122.9	173.6	170.8	-60.4	0	0	0	0	111.3	L58 S60 V63 M128 N208	L58-S98 VanDerWaalsContact O-CB 3.31Å; L58-S98 WeakPolarHBondContact O-CB 3.38Å; L58-S98 PolarHBondContact O-N 3.39Å; L58-S98 VanDerWaalsContact O-N 3.14Å; L58-S98 PolarHBondContact O-OG 3.34Å; S60-S98 WeakPolarHBondContact OG-CB 3.29Å; V63-S98 WeakPolarHBondContact CG1-O 3.41Å; V63-S98 WeakPolarHBondContact CG2-O 3.28Å; S98-M128 VanDerWaalsContact O-CE 3.25Å; S98-M128 WeakPolarHBondContact O-CE 3.44Å; S98-N208 WeakPolarHBondContact CA-ND2 3.28Å; S98-N208 WeakPolarHBondContact OG-CB 3.4Å; S98-N208 PolarHBondContact OG-ND2 3.18Å
99	G	89.4	Confident	90	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	19%	0.19	C	C	.	.			trans	103.4	-2.4	172.1	0	0	0	0	0	115.3	S60 I101 A102 L103	S60-G99 PolarHBondContact OG-N 2.66Å; G99-I101 VanDerWaalsContact C-N 3.34Å; G99-I101 PolarHBondContact O-N 3.35Å; G99-A102 PolarHBondContact O-N 3.24Å; G99-A102 VanDerWaalsContact O-N 3.09Å; G99-L103 WeakPolarHBondContact O-CB 3.44Å; G99-L103 PolarHBondContact O-N 3.14Å
100	A	91	Very high	88.8	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-54.8	-45.9	178.4	0	0	0	0	0	112.6	A102 L103 G104 G124 M125 M128	A100-A102 PolarHBondContact O-N 2.75Å; A100-L103 PolarHBondContact O-N 3.2Å; A100-G104 PolarHBondContact O-N 2.58Å; A100-G124 WeakPolarHBondContact O-CA 3.21Å; A100-M125 HydrophobicContact CB-CB 4.21Å; A100-M128 HydrophobicContact CB-SD 4.16Å; A100-M128 PolarHBondContact N-SD 2.94Å
101	I	87.6	Confident	87.5	Confident	32 Å²	32	36.9 Å²	36.9	16%	0.164	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-42.6	177.1	-63.7	162.8	0	0	0	111.6	G99 L103 G104 R105 R117 R120 A121 D182	G99-I101 VanDerWaalsContact C-N 3.34Å; G99-I101 PolarHBondContact O-N 3.35Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.35Å; I101-G104 PolarHBondContact O-N 2.96Å; I101-R105 WeakPolarHBondContact O-CG 3.45Å; I101-R105 PolarHBondContact O-N 2.95Å; I101-R117 HydrophobicContact CD1-CG 3.76Å; I101-R117 VanDerWaalsContact CD1-NE 3.32Å; I101-R117 HydrophobicContact CG1-CG 4.23Å; I101-R120 HydrophobicContact CG2-CB 4.39Å; I101-A121 HydrophobicContact CG1-CB 3.84Å; I101-D182 HydrophobicContact CD1-CB 4.08Å; I101-D182 HydrophobicContact CG1-CB 4.42Å
102	A	84.8	Confident	86	Confident	15 Å²	15	41.6 Å²	41.6	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-41.1	179.8	0	0	0	0	0	111.2	T64 G99 A100 R105 H106 V277	T64-A102 HydrophobicContact CG2-CB 4.15Å; G99-A102 PolarHBondContact O-N 3.24Å; G99-A102 VanDerWaalsContact O-N 3.09Å; A100-A102 PolarHBondContact O-N 2.75Å; A102-R105 PolarHBondContact O-N 2.89Å; A102-H106 PolarHBondContact O-N 3.03Å; A102-V277 HydrophobicContact CB-CB 4.42Å
103	L	87.4	Confident	84.4	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-37.6	176.4	-161.1	71	0	0	0	112.4	L71 G99 A100 I101 R105 H106 H107 E127 M128	L71-L103 HydrophobicContact CD1-CD1 4.43Å; L71-L103 HydrophobicContact CD1-CD2 3.84Å; L71-L103 HydrophobicContact CD2-CD1 3.93Å; L71-L103 HydrophobicContact CD2-CD2 3.96Å; L71-L103 HydrophobicContact CG-CD1 3.66Å; L71-L103 HydrophobicContact CG-CD2 3.88Å; L71-L103 HydrophobicContact CG-CG 4.44Å; G99-L103 WeakPolarHBondContact O-CB 3.44Å; G99-L103 PolarHBondContact O-N 3.14Å; A100-L103 PolarHBondContact O-N 3.2Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.35Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-H106 WeakPolarHBondContact O-CB 3.44Å; L103-H106 PolarHBondContact O-N 3.22Å; L103-H107 PolarHBondContact O-ND1 3.49Å; L103-E127 HydrophobicContact CD2-CB 3.82Å; L103-E127 HydrophobicContact CD2-CG 3.82Å; L103-E127 WeakPolarHBondContact CD2-OE2 3.46Å; L103-E127 WeakPolarHBondContact CG-OE2 3.39Å; L103-M128 HydrophobicContact CD2-CG 3.75Å
104	G	88.4	Confident	83.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-37.3	172.9	0	0	0	0	0	113.1	A100 I101 H106 H107 L108 R120	A100-G104 PolarHBondContact O-N 2.58Å; I101-G104 PolarHBondContact O-N 2.96Å; G104-H106 PolarHBondContact O-N 3.45Å; G104-H107 PolarHBondContact O-N 3.41Å; G104-H107 VanDerWaalsContact O-N 3.11Å; G104-L108 WeakPolarHBondContact O-CB 3.31Å; G104-L108 PolarHBondContact O-N 3.35Å; G104-R120 WeakPolarHBondContact CA-O 3.4Å
105	R	83.3	Confident	82.1	Confident	113 Å²	113	55.1 Å²	55.1	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-23.3	174.6	-76	-176.9	-178.8	175.8	0.5	113.6	I101 A102 L103 L108	I101-R105 WeakPolarHBondContact O-CG 3.45Å; I101-R105 PolarHBondContact O-N 2.95Å; A102-R105 PolarHBondContact O-N 2.89Å; L103-R105 VanDerWaalsContact C-N 3.35Å; R105-L108 CarbonylContact C-O 3.22Å
106	H	79.5	Confident	81.5	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-31.1	175	179.7	-88.4	0	0	0	111.8	L68 A102 L103 G104	L68-H106 PolarHBondContact O-CD2 3.02Å; A102-H106 PolarHBondContact O-N 3.03Å; L103-H106 WeakPolarHBondContact O-CB 3.44Å; L103-H106 PolarHBondContact O-N 3.22Å; G104-H106 PolarHBondContact O-N 3.45Å
107	H	82.2	Confident	80.8	Confident	67 Å²	67	63.6 Å²	63.6	31%	0.31	31%	0.308	S	S	.	.	H	α-helix	trans	-100.9	-24.4	-175.7	-69.6	95.6	0	0	0	113.9	K3 L103 G104 F123 E127	K3-H107 PolarHBondContact NZ-NE2 3.15Å; L103-H107 PolarHBondContact O-ND1 3.49Å; G104-H107 PolarHBondContact O-N 3.41Å; G104-H107 VanDerWaalsContact O-N 3.11Å; H107-F123 HydrophobicContact CB-CD1 3.84Å; H107-F123 HydrophobicContact CB-CE1 3.39Å; H107-F123 HydrophobicContact CB-CE2 4.4Å; H107-F123 HydrophobicContact CB-CZ 3.7Å; H107-F123 AromaticContact CD2-CE1 3.85Å; H107-F123 AromaticContact CG-CE1 3.32Å; H107-F123 AromaticContact CG-CZ 3.8Å; H107-F123 AromaticContact ND1-CE1 3.57Å; H107-E127 IonicContact CE1-OE1 3.06Å; H107-E127 PolarHBondContact CE1-OE1 3.41Å; H107-E127 IonicContact CE1-OE2 3.97Å; H107-E127 PolarHBondContact CE1-OE2 3.42Å; H107-E127 IonicContact ND1-OE2 3Å; H107-E127 PolarHBondContact ND1-OE2 2.89Å; H107-E127 IonicContact NE2-OE1 3.26Å; H107-E127 IonicContact NE2-OE2 2.82Å
108	L	84.5	Confident	80.5	Confident	58 Å²	58	64.2 Å²	64.2	30%	0.304	32%	0.315	S	S	.	.	S	Bend	trans	-115.2	155.2	179.9	-57.5	177.2	0	0	0	110.4	G104 R105 S115 A119 R120 F123	G104-L108 WeakPolarHBondContact O-CB 3.31Å; G104-L108 PolarHBondContact O-N 3.35Å; R105-L108 CarbonylContact C-O 3.22Å; L108-S115 WeakPolarHBondContact CB-OG 3.38Å; L108-A119 HydrophobicContact CD1-CB 4.29Å; L108-R120 HydrophobicContact CB-CG 4.42Å; L108-R120 HydrophobicContact CD1-CG 4.1Å; L108-F123 HydrophobicContact CD1-CB 4.12Å; L108-F123 HydrophobicContact CD2-CD2 4.49Å
109	E	73.4	Confident	80.4	Confident	107 Å²	107	65.9 Å²	65.9	50%	0.5	33%	0.329	S	S	.	.			trans	-55.9	142.4	178.2	-72.4	-158.7	-139.9	0	0	112.9	D111 K114 S115 R120	E109-D111 VanDerWaalsContact C-N 3.34Å; E109-K114 HydrophobicContact CB-CB 4.41Å; E109-K114 HydrophobicContact CB-CD 4.47Å; E109-K114 HydrophobicContact CG-CD 4.49Å; E109-K114 IonicContact OE1-NZ 2.82Å; E109-K114 PolarHBondContact OE1-NZ 2.92Å; E109-K114 WeakPolarHBondContact OE2-CD 3.47Å; E109-K114 WeakPolarHBondContact OE2-CE 3.2Å; E109-K114 IonicContact OE2-NZ 2.74Å; E109-K114 PolarHBondContact OE2-NZ 2.91Å; E109-S115 WeakPolarHBondContact O-CB 3.49Å; E109-S115 PolarHBondContact O-OG 3.22Å; E109-R120 PolarHBondContact O-NE 2.81Å; E109-R120 PolarHBondContact O-NH2 3.08Å
110	T	68.8	Low	80.4	Confident	106 Å²	106	65.7 Å²	65.7	65%	0.65	33%	0.326	S	S	*	.	S	Bend	trans	-77	-16.7	-179.1	47.8	0	0	0	0	113.7	E112 R120	T110-E112 PolarHBondContact O-N 3.47Å; T110-R120 PolarHBondContact O-NH2 3Å
111	D	65.1	Low	80.4	Confident	74 Å²	74	65.7 Å²	65.7	40%	0.396	33%	0.326	S	S	.	.			trans	-68.7	118.1	173.1	-172.3	-7.3	0	0	0	110.9	E109 K113 K114 S115 R120	E109-D111 VanDerWaalsContact C-N 3.34Å; D111-K113 PolarHBondContact O-N 3.32Å; D111-K113 WeakPolarHBondContact OD1-CB 3.27Å; D111-K113 PolarHBondContact OD1-N 2.88Å; D111-K114 HydrophobicContact CB-CB 4.46Å; D111-K114 HydrophobicContact CB-CD 4.38Å; D111-K114 HydrophobicContact CB-CG 4.46Å; D111-K114 PolarHBondContact O-N 3.04Å; D111-S115 PolarHBondContact O-N 2.8Å; D111-R120 VanDerWaalsContact C-NH2 3.35Å; D111-R120 PolarHBondContact O-NH2 3.23Å
112	E	65.1	Low	80.6	Confident	129 Å²	129	66.5 Å²	66.5	60%	0.603	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.4	178.9	-69.1	-157.9	153.5	0	0	113.2	T110 K114 S115	T110-E112 PolarHBondContact O-N 3.47Å; E112-K114 PolarHBondContact O-N 3.43Å; E112-S115 WeakPolarHBondContact CA-O 3.5Å
113	K	62.6	Low	81	Confident	196 Å²	196	70 Å²	70	85%	0.852	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	174.3	-68.9	-174.9	177.9	179.7	0	112.8	D111	D111-K113 PolarHBondContact O-N 3.32Å; D111-K113 WeakPolarHBondContact OD1-CB 3.27Å; D111-K113 PolarHBondContact OD1-N 2.88Å
114	K	71.6	Confident	81.2	Confident	135 Å²	135	69.9 Å²	69.9	59%	0.587	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-27.1	-178.5	-69.2	-180	172.9	-172.2	0	113.3	E109 D111 E112	E109-K114 HydrophobicContact CB-CB 4.41Å; E109-K114 HydrophobicContact CB-CD 4.47Å; E109-K114 HydrophobicContact CG-CD 4.49Å; E109-K114 IonicContact OE1-NZ 2.82Å; E109-K114 PolarHBondContact OE1-NZ 2.92Å; E109-K114 WeakPolarHBondContact OE2-CD 3.47Å; E109-K114 WeakPolarHBondContact OE2-CE 3.2Å; E109-K114 IonicContact OE2-NZ 2.74Å; E109-K114 PolarHBondContact OE2-NZ 2.91Å; D111-K114 HydrophobicContact CB-CB 4.46Å; D111-K114 HydrophobicContact CB-CD 4.38Å; D111-K114 HydrophobicContact CB-CG 4.46Å; D111-K114 PolarHBondContact O-N 3.04Å; E112-K114 PolarHBondContact O-N 3.43Å
115	S	75.4	Confident	81.5	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.063	35%	0.353	C	S	.	.	S	Bend	trans	-144	107.1	-174.1	167.7	0	0	0	0	109.3	L108 E109 D111 E112 R120	L108-S115 WeakPolarHBondContact CB-OG 3.38Å; E109-S115 WeakPolarHBondContact O-CB 3.49Å; E109-S115 PolarHBondContact O-OG 3.22Å; D111-S115 PolarHBondContact O-N 2.8Å; E112-S115 WeakPolarHBondContact CA-O 3.5Å; S115-R120 PolarHBondContact O-NE 3.39Å; S115-R120 PolarHBondContact O-NH2 2.92Å; S115-R120 VanDerWaalsContact OG-CG 3.27Å; S115-R120 WeakPolarHBondContact OG-CG 3.4Å; S115-R120 PolarHBondContact OG-NE 3.09Å
116	S	85.6	Confident	82	Confident	68 Å²	68	68 Å²	68	48%	0.476	36%	0.356	S	S	.	.			trans	-67	155.5	-180	72.2	0	0	0	0	111.1	G118 A119 R120	S116-G118 PolarHBondContact O-N 2.81Å; S116-A119 PolarHBondContact O-N 3.39Å; S116-A119 VanDerWaalsContact O-N 3.13Å; S116-A119 PolarHBondContact OG-N 3.38Å; S116-A119 VanDerWaalsContact OG-N 3.09Å; S116-R120 PolarHBondContact O-N 2.87Å; S116-R120 VanDerWaalsContact O-N 3.16Å
117	R	84.1	Confident	82.6	Confident	111 Å²	111	65.9 Å²	65.9	42%	0.419	35%	0.347	S	S	.	.	H	α-helix	trans	-51.2	-40.8	170.8	178.5	177.6	168.5	162	-3	111.6	I101 R120 A121 D182	I101-R117 HydrophobicContact CD1-CG 3.76Å; I101-R117 VanDerWaalsContact CD1-NE 3.32Å; I101-R117 HydrophobicContact CG1-CG 4.23Å; R117-R120 PolarHBondContact O-N 3.09Å; R117-A121 WeakPolarHBondContact O-CB 3.25Å; R117-A121 PolarHBondContact O-N 2.96Å; R117-D182 IonicContact CZ-OD1 3.21Å; R117-D182 IonicContact NE-OD1 3.33Å; R117-D182 PolarHBondContact NE-OD1 2.67Å; R117-D182 IonicContact NH2-OD1 2.97Å; R117-D182 PolarHBondContact NH2-OD1 2.91Å
118	G	88.6	Confident	83.2	Confident	13 Å²	13	62.7 Å²	62.7	13%	0.134	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-40.3	178.6	0	0	0	0	0	113.8	S116 R120 A121 A122 D182 A183	S116-G118 PolarHBondContact O-N 2.81Å; G118-R120 VanDerWaalsContact C-N 3.33Å; G118-R120 PolarHBondContact O-N 2.78Å; G118-A121 PolarHBondContact O-N 2.78Å; G118-A122 WeakPolarHBondContact O-CB 2.95Å; G118-A122 PolarHBondContact O-N 3.38Å; G118-D182 VanDerWaalsContact CA-O 3.29Å; G118-D182 WeakPolarHBondContact CA-O 3.49Å; G118-A183 WeakPolarHBondContact O-CA 3.46Å
119	A	89.8	Confident	83.6	Confident	42 Å²	42	61.7 Å²	61.7	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.3	0	0	0	0	0	111.9	L108 S116 A122 F123	L108-A119 HydrophobicContact CD1-CB 4.29Å; S116-A119 PolarHBondContact O-N 3.39Å; S116-A119 VanDerWaalsContact O-N 3.13Å; S116-A119 PolarHBondContact OG-N 3.38Å; S116-A119 VanDerWaalsContact OG-N 3.09Å; A119-A122 PolarHBondContact O-N 3.16Å; A119-F123 PolarHBondContact O-N 2.88Å
120	R	89.6	Confident	84.7	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-44	176.2	-63.9	164.6	-176.9	159.4	0	111.8	I101 G104 L108 E109 T110 D111 S115 S116 R117 G118 F123 G124	I101-R120 HydrophobicContact CG2-CB 4.39Å; G104-R120 WeakPolarHBondContact CA-O 3.4Å; L108-R120 HydrophobicContact CB-CG 4.42Å; L108-R120 HydrophobicContact CD1-CG 4.1Å; E109-R120 PolarHBondContact O-NE 2.81Å; E109-R120 PolarHBondContact O-NH2 3.08Å; T110-R120 PolarHBondContact O-NH2 3Å; D111-R120 VanDerWaalsContact C-NH2 3.35Å; D111-R120 PolarHBondContact O-NH2 3.23Å; S115-R120 PolarHBondContact O-NE 3.39Å; S115-R120 PolarHBondContact O-NH2 2.92Å; S115-R120 VanDerWaalsContact OG-CG 3.27Å; S115-R120 WeakPolarHBondContact OG-CG 3.4Å; S115-R120 PolarHBondContact OG-NE 3.09Å; S116-R120 PolarHBondContact O-N 2.87Å; S116-R120 VanDerWaalsContact O-N 3.16Å; R117-R120 PolarHBondContact O-N 3.09Å; G118-R120 VanDerWaalsContact C-N 3.33Å; G118-R120 PolarHBondContact O-N 2.78Å; R120-F123 PolarHBondContact O-N 3Å; R120-G124 PolarHBondContact O-N 3.06Å
121	A	90.7	Very high	85.9	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-46.9	174.7	0	0	0	0	0	111.8	I101 R117 G118 F123 G124 M125 D182	I101-A121 HydrophobicContact CG1-CB 3.84Å; R117-A121 WeakPolarHBondContact O-CB 3.25Å; R117-A121 PolarHBondContact O-N 2.96Å; G118-A121 PolarHBondContact O-N 2.78Å; A121-F123 PolarHBondContact O-N 3.13Å; A121-G124 PolarHBondContact O-N 3.36Å; A121-M125 VanDerWaalsContact O-CB 3.22Å; A121-M125 WeakPolarHBondContact O-CB 3.38Å; A121-M125 PolarHBondContact O-N 2.77Å; A121-D182 HydrophobicContact CB-CB 3.41Å; A121-D182 VanDerWaalsContact CB-CB 3.41Å
122	A	92.7	Very high	87.4	Confident	50 Å²	50	53.1 Å²	53.1	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-48.3	178.6	0	0	0	0	0	111.9	G118 A119 A126 A183	G118-A122 WeakPolarHBondContact O-CB 2.95Å; G118-A122 PolarHBondContact O-N 3.38Å; A119-A122 PolarHBondContact O-N 3.16Å; A122-A126 PolarHBondContact O-N 2.93Å; A122-A183 HydrophobicContact CB-CB 3.87Å
123	F	92.5	Very high	88.8	Confident	87 Å²	87	50.1 Å²	50.1	38%	0.382	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-52.7	178.7	-170.2	-75.4	0	0	0	111.6	H107 L108 A119 R120 A121 M125 A126 E127	H107-F123 HydrophobicContact CB-CD1 3.84Å; H107-F123 HydrophobicContact CB-CE1 3.39Å; H107-F123 HydrophobicContact CB-CE2 4.4Å; H107-F123 HydrophobicContact CB-CZ 3.7Å; H107-F123 AromaticContact CD2-CE1 3.85Å; H107-F123 AromaticContact CG-CE1 3.32Å; H107-F123 AromaticContact CG-CZ 3.8Å; H107-F123 AromaticContact ND1-CE1 3.57Å; L108-F123 HydrophobicContact CD1-CB 4.12Å; L108-F123 HydrophobicContact CD2-CD2 4.49Å; A119-F123 PolarHBondContact O-N 2.88Å; R120-F123 PolarHBondContact O-N 3Å; A121-F123 PolarHBondContact O-N 3.13Å; F123-M125 VanDerWaalsContact C-N 3.29Å; F123-M125 PolarHBondContact O-N 3.04Å; F123-A126 PolarHBondContact O-N 2.77Å; F123-E127 PolarHBondContact O-N 3.43Å
124	G	92.4	Very high	90.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-33.3	-176.8	0	0	0	0	0	112.7	A100 R120 A121 E127 M128	A100-G124 WeakPolarHBondContact O-CA 3.21Å; R120-G124 PolarHBondContact O-N 3.06Å; A121-G124 PolarHBondContact O-N 3.36Å; G124-E127 PolarHBondContact O-N 3.03Å; G124-M128 WeakPolarHBondContact O-CB 3.39Å; G124-M128 WeakPolarHBondContact O-CG 3.38Å; G124-M128 PolarHBondContact O-N 3.05Å
125	M	94.2	Very high	91.6	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-41.4	176.1	-169.3	65	-161.3	0	0	112	T97 A100 A121 F123 E127 M128 V129 L147 I177 N179	T97-M125 HydrophobicContact CG2-CE 4.4Å; A100-M125 HydrophobicContact CB-CB 4.21Å; A121-M125 VanDerWaalsContact O-CB 3.22Å; A121-M125 WeakPolarHBondContact O-CB 3.38Å; A121-M125 PolarHBondContact O-N 2.77Å; F123-M125 VanDerWaalsContact C-N 3.29Å; F123-M125 PolarHBondContact O-N 3.04Å; M125-E127 VanDerWaalsContact C-N 3.32Å; M125-E127 PolarHBondContact O-N 3.32Å; M125-M128 PolarHBondContact O-N 2.84Å; M125-V129 HydrophobicContact CE-CG2 3.3Å; M125-V129 HydrophobicContact CG-CG2 4.27Å; M125-V129 WeakPolarHBondContact O-CG2 3.18Å; M125-V129 PolarHBondContact O-N 2.79Å; M125-V129 HydrophobicContact SD-CG2 4.36Å; M125-L147 HydrophobicContact CE-CD2 3.67Å; M125-L147 HydrophobicContact CG-CD1 4.19Å; M125-L147 HydrophobicContact CG-CD2 3.76Å; M125-L147 HydrophobicContact SD-CD2 3.87Å; M125-I177 HydrophobicContact CE-CG2 4.48Å; M125-N179 HydrophobicContact CE-CB 3.88Å; M125-N179 HydrophobicContact SD-CB 3.74Å; M125-N179 PolarHBondContact SD-ND2 3.48Å
126	A	93.5	Very high	92.7	Very high	61 Å²	61	39.4 Å²	39.4	50%	0.504	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-43.6	176.5	0	0	0	0	0	111.8	A122 F123 T130	A122-A126 PolarHBondContact O-N 2.93Å; F123-A126 PolarHBondContact O-N 2.77Å; A126-T130 PolarHBondContact O-N 2.82Å; A126-T130 PolarHBondContact O-OG1 3.18Å
127	E	92.6	Very high	93.1	Very high	53 Å²	53	41.5 Å²	41.5	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-41.1	177	-173.5	173.1	-166.9	0	0	112	K3 L103 H107 F123 G124 M125 T130 L131	K3-E127 IonicContact NZ-OE1 2.71Å; L103-E127 HydrophobicContact CD2-CB 3.82Å; L103-E127 HydrophobicContact CD2-CG 3.82Å; L103-E127 WeakPolarHBondContact CD2-OE2 3.46Å; L103-E127 WeakPolarHBondContact CG-OE2 3.39Å; H107-E127 IonicContact CE1-OE1 3.06Å; H107-E127 PolarHBondContact CE1-OE1 3.41Å; H107-E127 IonicContact CE1-OE2 3.97Å; H107-E127 PolarHBondContact CE1-OE2 3.42Å; H107-E127 IonicContact ND1-OE2 3Å; H107-E127 PolarHBondContact ND1-OE2 2.89Å; H107-E127 IonicContact NE2-OE1 3.26Å; H107-E127 IonicContact NE2-OE2 2.82Å; F123-E127 PolarHBondContact O-N 3.43Å; G124-E127 PolarHBondContact O-N 3.03Å; M125-E127 VanDerWaalsContact C-N 3.32Å; M125-E127 PolarHBondContact O-N 3.32Å; E127-T130 PolarHBondContact O-N 3.16Å; E127-L131 PolarHBondContact O-N 3.49Å; E127-L131 VanDerWaalsContact O-N 3.07Å
128	M	93.9	Very high	93.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-45.5	178.6	-75.3	179.6	60.5	0	0	113.3	V63 L71 T97 S98 A100 L103 G124 M125 T130 L131 Y132	V63-M128 HydrophobicContact CG1-CE 3.71Å; V63-M128 HydrophobicContact CG1-SD 4.33Å; L71-M128 HydrophobicContact CD1-CG 4.36Å; L71-M128 HydrophobicContact CD2-CG 4.1Å; T97-M128 HydrophobicContact CG2-CE 3.54Å; T97-M128 WeakPolarHBondContact OG1-CE 3.29Å; S98-M128 VanDerWaalsContact O-CE 3.25Å; S98-M128 WeakPolarHBondContact O-CE 3.44Å; A100-M128 HydrophobicContact CB-SD 4.16Å; A100-M128 PolarHBondContact N-SD 2.94Å; L103-M128 HydrophobicContact CD2-CG 3.75Å; G124-M128 WeakPolarHBondContact O-CB 3.39Å; G124-M128 WeakPolarHBondContact O-CG 3.38Å; G124-M128 PolarHBondContact O-N 3.05Å; M125-M128 PolarHBondContact O-N 2.84Å; M128-T130 VanDerWaalsContact C-N 3.31Å; M128-T130 PolarHBondContact O-N 3.31Å; M128-L131 PolarHBondContact O-N 2.93Å; M128-Y132 HydrophobicContact CB-CE2 4.4Å; M128-Y132 HydrophobicContact CE-CE2 3.83Å; M128-Y132 WeakPolarHBondContact O-CD2 3.36Å; M128-Y132 PolarHBondContact O-N 3.49Å
129	V	94.3	Very high	94	Very high	37 Å²	37	42 Å²	42	22%	0.224	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-44.4	177.6	171.8	0	0	0	0	110.2	M125 L131 Y132 D133 A145	M125-V129 HydrophobicContact CE-CG2 3.3Å; M125-V129 HydrophobicContact CG-CG2 4.27Å; M125-V129 WeakPolarHBondContact O-CG2 3.18Å; M125-V129 PolarHBondContact O-N 2.79Å; M125-V129 HydrophobicContact SD-CG2 4.36Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 3.39Å; V129-Y132 PolarHBondContact O-N 3.47Å; V129-D133 WeakPolarHBondContact O-CB 3.29Å; V129-D133 PolarHBondContact O-N 2.9Å; V129-A145 HydrophobicContact CB-CB 4.44Å; V129-A145 HydrophobicContact CG1-CB 3.85Å; V129-A145 HydrophobicContact CG2-CB 3.64Å
130	T	94.9	Very high	94.2	Very high	81 Å²	81	47.4 Å²	47.4	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-41.3	177.3	-54.5	0	0	0	0	111.5	A126 E127 M128 H134	A126-T130 PolarHBondContact O-N 2.82Å; A126-T130 PolarHBondContact O-OG1 3.18Å; E127-T130 PolarHBondContact O-N 3.16Å; M128-T130 VanDerWaalsContact C-N 3.31Å; M128-T130 PolarHBondContact O-N 3.31Å; T130-H134 PolarHBondContact O-N 3.18Å; T130-H134 PolarHBondContact O-ND1 2.91Å
131	L	94.2	Very high	94.5	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-48.9	177.6	-177.2	74	0	0	0	111.9	L71 L73 L76 E127 M128 V129 D133 H134 L135	L71-L131 HydrophobicContact CB-CD2 4.19Å; L71-L131 HydrophobicContact CD1-CB 4.22Å; L71-L131 HydrophobicContact CD1-CD2 3.47Å; L71-L131 VanDerWaalsContact CD1-CD2 3.47Å; L71-L131 HydrophobicContact CD1-CG 4.39Å; L71-L131 HydrophobicContact CG-CD2 4.35Å; L73-L131 HydrophobicContact CD1-CD1 3.46Å; L73-L131 VanDerWaalsContact CD1-CD1 3.46Å; L73-L131 HydrophobicContact CD1-CD2 3.92Å; L73-L131 HydrophobicContact CD1-CG 4.36Å; L73-L131 HydrophobicContact CG-CD1 4.38Å; L76-L131 HydrophobicContact CD1-CD2 3.65Å; E127-L131 PolarHBondContact O-N 3.49Å; E127-L131 VanDerWaalsContact O-N 3.07Å; M128-L131 PolarHBondContact O-N 2.93Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 3.39Å; L131-D133 VanDerWaalsContact C-N 3.3Å; L131-D133 PolarHBondContact O-N 2.99Å; L131-H134 PolarHBondContact O-N 3.36Å; L131-L135 HydrophobicContact CD1-CD1 4.43Å; L131-L135 HydrophobicContact CD1-CG 4.45Å; L131-L135 HydrophobicContact CD2-CD1 4.17Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.07Å
132	Y	96.3	Very high	94.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-44.1	-179.7	-76.8	-56.1	0	0	0	111.2	L58 L76 V80 L95 T97 M128 V129 H134 L135 F136 I177	L58-Y132 HydrophobicContact CD1-CE1 4.49Å; L58-Y132 WeakPolarHBondContact CD1-OH 3.5Å; L76-Y132 HydrophobicContact CD2-CE1 4.1Å; V80-Y132 HydrophobicContact CG2-CD1 4.41Å; L95-Y132 HydrophobicContact CD2-CD1 3.82Å; L95-Y132 HydrophobicContact CD2-CE1 3.55Å; L95-Y132 HydrophobicContact CD2-CE2 4.44Å; L95-Y132 HydrophobicContact CD2-CG 4.41Å; T97-Y132 HydrophobicContact CG2-CE2 3.96Å; T97-Y132 WeakPolarHBondContact OG1-CE2 3.38Å; T97-Y132 PolarHBondContact OG1-OH 3.35Å; M128-Y132 HydrophobicContact CB-CE2 4.4Å; M128-Y132 HydrophobicContact CE-CE2 3.83Å; M128-Y132 WeakPolarHBondContact O-CD2 3.36Å; M128-Y132 PolarHBondContact O-N 3.49Å; V129-Y132 PolarHBondContact O-N 3.47Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 3.21Å; Y132-L135 PolarHBondContact O-N 3.12Å; Y132-L135 VanDerWaalsContact O-N 3.11Å; Y132-F136 HydrophobicContact CD1-CE2 4.24Å; Y132-F136 WeakPolarHBondContact O-CB 3.4Å; Y132-F136 VanDerWaalsContact O-CD2 3.29Å; Y132-F136 WeakPolarHBondContact O-CD2 3.49Å; Y132-F136 PolarHBondContact O-N 2.91Å; Y132-I177 HydrophobicContact CD2-CG2 3.74Å; Y132-I177 HydrophobicContact CE2-CG2 4.21Å; Y132-I177 HydrophobicContact CG-CD1 4.35Å; Y132-I177 HydrophobicContact CG-CG2 4.39Å
133	D	95.8	Very high	95	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-48	178.5	-163.8	49.1	0	0	0	111.1	V129 L131 L135 F136 E137 T143	V129-D133 WeakPolarHBondContact O-CB 3.29Å; V129-D133 PolarHBondContact O-N 2.9Å; L131-D133 VanDerWaalsContact C-N 3.3Å; L131-D133 PolarHBondContact O-N 2.99Å; D133-L135 PolarHBondContact O-N 3.47Å; D133-F136 PolarHBondContact O-N 3.29Å; D133-E137 WeakPolarHBondContact O-CB 3.32Å; D133-E137 PolarHBondContact O-N 3.4Å; D133-T143 PolarHBondContact OD1-OG1 3.23Å
134	H	96.4	Very high	95.2	Very high	100 Å²	100	51.3 Å²	51.3	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-41.3	174.5	-80.5	77.6	0	0	0	113.2	T130 L131 Y132 Q138	T130-H134 PolarHBondContact O-N 3.18Å; T130-H134 PolarHBondContact O-ND1 2.91Å; L131-H134 PolarHBondContact O-N 3.36Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 3.21Å; H134-Q138 WeakPolarHBondContact O-CG 3.4Å; H134-Q138 PolarHBondContact O-N 2.87Å
135	L	96.6	Very high	95.4	Very high	14 Å²	14	54 Å²	54	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-41.8	-178.6	-71.6	174.4	0	0	0	112	L76 A77 V80 L131 Y132 D133 C139	L76-L135 HydrophobicContact CB-CD1 4.03Å; A77-L135 HydrophobicContact CB-CD2 4.03Å; V80-L135 HydrophobicContact CB-CB 4.32Å; V80-L135 HydrophobicContact CG1-CB 4.01Å; V80-L135 HydrophobicContact CG2-CB 4.08Å; V80-L135 HydrophobicContact CG2-CD1 4.22Å; L131-L135 HydrophobicContact CD1-CD1 4.43Å; L131-L135 HydrophobicContact CD1-CG 4.45Å; L131-L135 HydrophobicContact CD2-CD1 4.17Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.07Å; Y132-L135 PolarHBondContact O-N 3.12Å; Y132-L135 VanDerWaalsContact O-N 3.11Å; D133-L135 PolarHBondContact O-N 3.47Å; L135-C139 PolarHBondContact O-SG 3.11Å
136	F	96.8	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-73.7	-35.1	178.9	-83.1	-74.3	0	0	0	112.3	V80 I83 L95 Y132 D133 Q138 C139 D140 L141 T143 V175 I177	V80-F136 HydrophobicContact CB-CZ 4.44Å; V80-F136 HydrophobicContact CG1-CD1 3.71Å; V80-F136 HydrophobicContact CG1-CD2 4.14Å; V80-F136 HydrophobicContact CG1-CE1 3.83Å; V80-F136 HydrophobicContact CG1-CE2 4.26Å; V80-F136 HydrophobicContact CG1-CG 3.87Å; V80-F136 HydrophobicContact CG1-CZ 4.11Å; V80-F136 HydrophobicContact CG2-CD2 4.22Å; V80-F136 HydrophobicContact CG2-CE2 3.8Å; V80-F136 HydrophobicContact CG2-CZ 3.95Å; I83-F136 HydrophobicContact CB-CE1 4.12Å; I83-F136 HydrophobicContact CB-CZ 4.32Å; I83-F136 HydrophobicContact CD1-CZ 4.17Å; I83-F136 HydrophobicContact CG2-CE1 3.74Å; I83-F136 HydrophobicContact CG2-CZ 4.01Å; L95-F136 HydrophobicContact CD2-CE2 3.99Å; L95-F136 HydrophobicContact CD2-CZ 4.27Å; Y132-F136 HydrophobicContact CD1-CE2 4.24Å; Y132-F136 WeakPolarHBondContact O-CB 3.4Å; Y132-F136 VanDerWaalsContact O-CD2 3.29Å; Y132-F136 WeakPolarHBondContact O-CD2 3.49Å; Y132-F136 PolarHBondContact O-N 2.91Å; D133-F136 PolarHBondContact O-N 3.29Å; F136-Q138 PolarHBondContact O-N 3.42Å; F136-C139 CarbonylContact O-C 3.57Å; F136-C139 WeakPolarHBondContact O-CA 3.46Å; F136-C139 WeakPolarHBondContact O-CB 3.3Å; F136-C139 PolarHBondContact O-N 3.22Å; F136-D140 PolarHBondContact O-N 3.14Å; F136-L141 CarbonylContact C-O 3.57Å; F136-L141 VanDerWaalsContact C-O 3.26Å; F136-L141 HydrophobicContact CB-CB 4.25Å; F136-L141 HydrophobicContact CD1-CB 4.1Å; F136-L141 HydrophobicContact CD1-CD1 4.05Å; F136-L141 HydrophobicContact CE1-CD1 4.46Å; F136-L141 PolarHBondContact O-N 2.9Å; F136-T143 HydrophobicContact CB-CG2 3.32Å; F136-T143 HydrophobicContact CD1-CG2 4.47Å; F136-T143 HydrophobicContact CD2-CG2 3.44Å; F136-T143 VanDerWaalsContact CD2-CG2 3.44Å; F136-T143 HydrophobicContact CE2-CG2 4.36Å; F136-T143 HydrophobicContact CG-CG2 3.51Å; F136-V175 HydrophobicContact CD1-CG2 4.33Å; F136-V175 HydrophobicContact CE1-CB 4.31Å; F136-V175 HydrophobicContact CE1-CG1 3.96Å; F136-V175 HydrophobicContact CE1-CG2 4.17Å; F136-V175 HydrophobicContact CE2-CG1 4.39Å; F136-V175 HydrophobicContact CZ-CG1 3.84Å; F136-I177 HydrophobicContact CD2-CD1 4.2Å; F136-I177 HydrophobicContact CE2-CD1 3.77Å
137	E	96	Very high	95.5	Very high	112 Å²	112	55 Å²	55	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-37.3	174.4	-175.1	-178.5	-158.4	0	0	111.2	D133 C139 D140 L141	D133-E137 WeakPolarHBondContact O-CB 3.32Å; D133-E137 PolarHBondContact O-N 3.4Å; E137-C139 PolarHBondContact O-N 3.4Å; E137-D140 PolarHBondContact O-N 3.37Å; E137-L141 PolarHBondContact N-O 3.43Å
138	Q	95	Very high	95.6	Very high	112 Å²	112	52.7 Å²	52.7	52%	0.523	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.9	175.3	-63.7	-67.9	-53.6	0	0	113.7	F11 H134 F136	F11-Q138 HydrophobicContact CE1-CB 4.15Å; F11-Q138 HydrophobicContact CE1-CG 3.62Å; F11-Q138 HydrophobicContact CZ-CG 3.8Å; H134-Q138 WeakPolarHBondContact O-CG 3.4Å; H134-Q138 PolarHBondContact O-N 2.87Å; F136-Q138 PolarHBondContact O-N 3.42Å
139	C	94.9	Very high	95.4	Very high	23 Å²	23	53.5 Å²	53.5	16%	0.155	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	17	174.6	-54.5	0	0	0	0	112.1	A84 L135 F136 E137 L141	A84-C139 HydrophobicContact CB-CB 3.54Å; L135-C139 PolarHBondContact O-SG 3.11Å; F136-C139 CarbonylContact O-C 3.57Å; F136-C139 WeakPolarHBondContact O-CA 3.46Å; F136-C139 WeakPolarHBondContact O-CB 3.3Å; F136-C139 PolarHBondContact O-N 3.22Å; E137-C139 PolarHBondContact O-N 3.4Å; C139-L141 VanDerWaalsContact C-N 3.25Å; C139-L141 PolarHBondContact O-N 2.85Å
140	D	94.8	Very high	94.9	Very high	155 Å²	155	53.4 Å²	53.4	83%	0.829	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	31.9	-176.9	-63	-50.9	0	0	0	114	F136 E137	F136-D140 PolarHBondContact O-N 3.14Å; E137-D140 PolarHBondContact O-N 3.37Å
141	L	95.6	Very high	94.5	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.136	27%	0.27	C	S	.	.			trans	-116.9	139.8	177.8	-70.6	172.8	0	0	0	111.8	A84 C87 F136 E137 C139 V175	A84-L141 HydrophobicContact CB-CD1 3.58Å; C87-L141 HydrophobicContact CB-CD1 3.9Å; C87-L141 HydrophobicContact CB-CD2 4.05Å; F136-L141 CarbonylContact C-O 3.57Å; F136-L141 VanDerWaalsContact C-O 3.26Å; F136-L141 HydrophobicContact CB-CB 4.25Å; F136-L141 HydrophobicContact CD1-CB 4.1Å; F136-L141 HydrophobicContact CD1-CD1 4.05Å; F136-L141 HydrophobicContact CE1-CD1 4.46Å; F136-L141 PolarHBondContact O-N 2.9Å; E137-L141 PolarHBondContact N-O 3.43Å; C139-L141 VanDerWaalsContact C-N 3.25Å; C139-L141 PolarHBondContact O-N 2.85Å; L141-V175 HydrophobicContact CB-CG2 4.48Å; L141-V175 HydrophobicContact CD1-CG2 4.18Å
142	R	96.7	Very high	94.3	Very high	150 Å²	150	51.4 Å²	51.4	57%	0.566	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.3	174.5	-64.5	-179.6	-65	170.6	2.5	109.7	Q172 V174 V175	R142-Q172 PolarHBondContact NH2-O 3.18Å; R142-V174 HydrophobicContact CB-CG2 4.22Å; R142-V174 WeakPolarHBondContact O-CA 3.18Å; R142-V174 WeakPolarHBondContact O-CG1 3.49Å; R142-V175 PolarHBondContact O-N 2.75Å
143	T	97	Very high	93.9	Very high	23 Å²	23	51.5 Å²	51.5	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.6	174.9	75.4	0	0	0	0	112.3	D133 F136 V175 I177	D133-T143 PolarHBondContact OD1-OG1 3.23Å; F136-T143 HydrophobicContact CB-CG2 3.32Å; F136-T143 HydrophobicContact CD1-CG2 4.47Å; F136-T143 HydrophobicContact CD2-CG2 3.44Å; F136-T143 VanDerWaalsContact CD2-CG2 3.44Å; F136-T143 HydrophobicContact CE2-CG2 4.36Å; F136-T143 HydrophobicContact CG-CG2 3.51Å; T143-V175 WeakPolarHBondContact CA-O 3.47Å; T143-I177 HydrophobicContact CG2-CD1 4.21Å; T143-I177 HydrophobicContact CG2-CG1 4.35Å
144	A	97	Very high	93.2	Very high	26 Å²	26	52.6 Å²	52.6	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.7	169.6	0	0	0	0	0	109.5	L169 V174 V175 P176 I177	A144-L169 HydrophobicContact CB-CD1 3.9Å; A144-L169 HydrophobicContact CB-CD2 3.74Å; A144-L169 HydrophobicContact CB-CG 4.46Å; A144-V174 HydrophobicContact CB-CG1 3.73Å; A144-V175 PolarHBondContact N-O 3.41Å; A144-P176 CarbonylContact O-C 3.59Å; A144-P176 WeakPolarHBondContact O-CA 3.31Å; A144-I177 PolarHBondContact O-N 3.14Å
145	A	96.4	Very high	92.8	Very high	55 Å²	55	50.9 Å²	50.9	46%	0.455	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.9	178.1	0	0	0	0	0	111.3	V129 I177	V129-A145 HydrophobicContact CB-CB 4.44Å; V129-A145 HydrophobicContact CG1-CB 3.85Å; V129-A145 HydrophobicContact CG2-CB 3.64Å; A145-I177 WeakPolarHBondContact CA-O 3.33Å
146	M	96	Very high	92.2	Very high	28 Å²	28	55.1 Å²	55.1	14%	0.138	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.4	173	-169.7	173.4	60.8	0	0	109.9	L148 W162 L166 I177 I178 N179	M146-L148 HydrophobicContact CE-CD1 4Å; M146-L148 HydrophobicContact CE-CD2 4.36Å; M146-L148 HydrophobicContact CE-CG 4.32Å; M146-L148 HydrophobicContact CG-CD2 4.14Å; M146-L148 HydrophobicContact CG-CG 4.37Å; M146-L148 HydrophobicContact SD-CD2 4.25Å; M146-W162 HydrophobicContact CE-CE3 4.37Å; M146-W162 HydrophobicContact SD-CB 4.29Å; M146-L166 HydrophobicContact CE-CB 4.14Å; M146-L166 HydrophobicContact CE-CD1 3.89Å; M146-L166 HydrophobicContact CE-CD2 3.92Å; M146-L166 HydrophobicContact CE-CG 4.22Å; M146-I177 PolarHBondContact N-O 2.95Å; M146-I178 HydrophobicContact CB-CG1 4.45Å; M146-I178 HydrophobicContact CE-CD1 3.56Å; M146-I178 HydrophobicContact CE-CG1 4.08Å; M146-I178 WeakPolarHBondContact O-CA 3.45Å; M146-N179 PolarHBondContact O-N 3.48Å
147	L	95.3	Very high	91.9	Very high	66 Å²	66	62.8 Å²	62.8	35%	0.346	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.6	-179.3	-61.2	179.6	0	0	0	109.5	M125 N179 N181	M125-L147 HydrophobicContact CE-CD2 3.67Å; M125-L147 HydrophobicContact CG-CD1 4.19Å; M125-L147 HydrophobicContact CG-CD2 3.76Å; M125-L147 HydrophobicContact SD-CD2 3.87Å; L147-N179 WeakPolarHBondContact CA-O 3.48Å; L147-N179 HydrophobicContact CD2-CB 3.91Å; L147-N181 HydrophobicContact CB-CB 3.8Å
148	L	93.7	Very high	91.8	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.8	-175.4	-62	176	0	0	0	111.2	M146 D152 F153 W162 I178 N179 T180 N181 L211 L215	M146-L148 HydrophobicContact CE-CD1 4Å; M146-L148 HydrophobicContact CE-CD2 4.36Å; M146-L148 HydrophobicContact CE-CG 4.32Å; M146-L148 HydrophobicContact CG-CD2 4.14Å; M146-L148 HydrophobicContact CG-CG 4.37Å; M146-L148 HydrophobicContact SD-CD2 4.25Å; L148-D152 HydrophobicContact CD2-CB 4.26Å; L148-F153 HydrophobicContact CB-CE2 4.04Å; L148-F153 HydrophobicContact CD1-CE2 3.92Å; L148-F153 HydrophobicContact CD1-CZ 3.82Å; L148-W162 HydrophobicContact CD1-CD2 4.38Å; L148-W162 HydrophobicContact CD1-CE3 4.46Å; L148-W162 HydrophobicContact CD2-CB 4.1Å; L148-W162 HydrophobicContact CD2-CD2 4.48Å; L148-W162 HydrophobicContact CD2-CG 4.03Å; L148-I178 HydrophobicContact CD1-CG2 4.11Å; L148-I178 HydrophobicContact CG-CG2 4.43Å; L148-N179 PolarHBondContact N-O 3.46Å; L148-N179 VanDerWaalsContact N-O 3.14Å; L148-T180 CarbonylContact O-C 3.52Å; L148-T180 WeakPolarHBondContact O-CA 3.36Å; L148-N181 PolarHBondContact O-N 3.31Å; L148-L211 HydrophobicContact CB-CD1 4.41Å; L148-L211 HydrophobicContact CD1-CD1 4.34Å; L148-L215 HydrophobicContact CD1-CD1 4.29Å
149	T	90.8	Very high	91.6	Very high	17 Å²	17	61 Å²	61	10%	0.104	31%	0.312	C	S	.	.			trans	-110.3	163.4	172.3	62.3	0	0	0	0	110.3	V151 D152 N181 V184	T149-V151 PolarHBondContact O-N 3.46Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3.24Å; T149-D152 VanDerWaalsContact OG1-CG 3.31Å; T149-D152 PolarHBondContact OG1-OD2 3.46Å; T149-N181 HydrophobicContact CG2-CB 3.81Å; T149-V184 HydrophobicContact CG2-CG2 3.96Å
150	P	83.6	Confident	91.4	Very high	35 Å²	35	62.5 Å²	62.5	23%	0.227	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.3	174.5	-27.1	36.4	0	0	0	113.3	D152 F153 D154 V205	P150-D152 PolarHBondContact O-N 3.28Å; P150-F153 WeakPolarHBondContact O-CB 3.12Å; P150-F153 PolarHBondContact O-N 3.28Å; P150-D154 PolarHBondContact O-N 2.75Å; P150-V205 WeakPolarHBondContact CG-O 3.5Å
151	V	85.1	Confident	91.5	Very high	41 Å²	41	63.9 Å²	63.9	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-30.8	177.6	179.4	0	0	0	0	112.7	T149 F153 D154 D155 E189	T149-V151 PolarHBondContact O-N 3.46Å; V151-F153 PolarHBondContact O-N 3.21Å; V151-D154 PolarHBondContact O-N 2.81Å; V151-D155 WeakPolarHBondContact O-CB 3.5Å; V151-D155 PolarHBondContact O-N 3.07Å; V151-E189 WeakPolarHBondContact CG2-OE1 2.99Å; V151-E189 WeakPolarHBondContact CG2-OE2 3.36Å
152	D	90.5	Very high	91.4	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-16	178.5	-56.7	-52.2	0	0	0	112.5	L148 T149 P150 R158 R159 W162	L148-D152 HydrophobicContact CD2-CB 4.26Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3.24Å; T149-D152 VanDerWaalsContact OG1-CG 3.31Å; T149-D152 PolarHBondContact OG1-OD2 3.46Å; P150-D152 PolarHBondContact O-N 3.28Å; D152-R158 IonicContact OD1-NH1 3.95Å; D152-R158 PolarHBondContact OD1-NH1 3.4Å; D152-R159 WeakPolarHBondContact O-CA 3.33Å; D152-R159 PolarHBondContact O-N 3.07Å; D152-W162 VanDerWaalsContact O-CD1 3.31Å; D152-W162 PolarHBondContact O-NE1 2.8Å
153	F	88.5	Confident	91.4	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-93.9	-33.6	171.3	-69.7	-93	0	0	0	112.4	L148 P150 V151 R159 W162 V205 L211 R214 L215	L148-F153 HydrophobicContact CB-CE2 4.04Å; L148-F153 HydrophobicContact CD1-CE2 3.92Å; L148-F153 HydrophobicContact CD1-CZ 3.82Å; P150-F153 WeakPolarHBondContact O-CB 3.12Å; P150-F153 PolarHBondContact O-N 3.28Å; V151-F153 PolarHBondContact O-N 3.21Å; F153-R159 WeakPolarHBondContact O-CD 3.44Å; F153-R159 PolarHBondContact O-NH1 3.22Å; F153-W162 AromaticContact CD1-CZ2 3.92Å; F153-W162 HydrophobicContact CD1-CZ2 3.92Å; F153-W162 AromaticContact CE1-CH2 4Å; F153-W162 HydrophobicContact CE1-CH2 4Å; F153-W162 AromaticContact CE1-CZ2 3.56Å; F153-W162 HydrophobicContact CE1-CZ2 3.56Å; F153-W162 HydrophobicContact CZ-CZ2 4.11Å; F153-V205 HydrophobicContact CB-CG2 4.4Å; F153-V205 HydrophobicContact CD1-CG2 4.31Å; F153-V205 HydrophobicContact CD2-CB 4.5Å; F153-V205 HydrophobicContact CD2-CG2 3.71Å; F153-V205 HydrophobicContact CE2-CG2 4.02Å; F153-V205 HydrophobicContact CG-CG2 3.87Å; F153-V205 HydrophobicContact CZ-CG2 4.45Å; F153-L211 HydrophobicContact CE2-CD1 3.44Å; F153-L211 VanDerWaalsContact CE2-CD1 3.44Å; F153-L211 HydrophobicContact CZ-CD1 3.42Å; F153-L211 VanDerWaalsContact CZ-CD1 3.42Å; F153-R214 HydrophobicContact CD1-CB 3.95Å; F153-R214 HydrophobicContact CD1-CG 3.56Å; F153-R214 HydrophobicContact CE1-CB 3.69Å; F153-R214 HydrophobicContact CE1-CG 3.84Å; F153-R214 HydrophobicContact CG-CG 4.38Å; F153-R214 HydrophobicContact CZ-CB 4.41Å; F153-L215 HydrophobicContact CZ-CG 4.4Å
154	D	81.2	Confident	91.3	Very high	90 Å²	90	63.1 Å²	63.1	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-82.7	-26.8	-174.6	-63.6	-25.2	0	0	0	112.7	P150 V151	P150-D154 PolarHBondContact O-N 2.75Å; V151-D154 PolarHBondContact O-N 2.81Å
155	D	86.5	Confident	91.3	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	33%	0.328	S	S	.	.	S	Bend	trans	-89.7	122.2	174.4	179.9	-86	0	0	0	112	V151 H157 R158 R159	V151-D155 WeakPolarHBondContact O-CB 3.5Å; V151-D155 PolarHBondContact O-N 3.07Å; D155-H157 VanDerWaalsContact C-N 3.33Å; D155-H157 PolarHBondContact O-N 3.3Å; D155-H157 WeakPolarHBondContact OD1-CB 3.49Å; D155-H157 PolarHBondContact OD1-N 3.26Å; D155-R158 HydrophobicContact CB-CB 4.11Å; D155-R158 HydrophobicContact CB-CG 4.2Å; D155-R158 PolarHBondContact O-N 2.93Å; D155-R158 WeakPolarHBondContact OD1-CG 3.48Å; D155-R158 PolarHBondContact OD1-N 3.33Å; D155-R159 WeakPolarHBondContact O-CB 3.32Å; D155-R159 PolarHBondContact O-N 3Å
156	D	85.8	Confident	91.3	Very high	104 Å²	104	61.1 Å²	61.1	56%	0.556	31%	0.306	S	S	*	.	H	α-helix	trans	-61.5	-36.1	-175.2	-68.8	-8.1	0	0	0	113.7	R159 A160	D156-R159 IonicContact OD1-CZ 3.67Å; D156-R159 IonicContact OD1-NH1 3.78Å; D156-R159 PolarHBondContact OD1-NH1 3.39Å; D156-R159 IonicContact OD1-NH2 2.6Å; D156-R159 PolarHBondContact OD1-NH2 2.92Å; D156-A160 WeakPolarHBondContact O-CB 3.23Å; D156-A160 PolarHBondContact O-N 2.82Å
157	H	90.3	Very high	91.2	Very high	160 Å²	160	62.3 Å²	62.3	74%	0.741	31%	0.311	S	S	*	.	H	α-helix	trans	-73.8	-46.7	-178.3	-73.1	-71.3	0	0	0	111.4	D155 R159 A160 Y161	D155-H157 VanDerWaalsContact C-N 3.33Å; D155-H157 PolarHBondContact O-N 3.3Å; D155-H157 WeakPolarHBondContact OD1-CB 3.49Å; D155-H157 PolarHBondContact OD1-N 3.26Å; H157-R159 VanDerWaalsContact C-N 3.26Å; H157-R159 PolarHBondContact O-N 2.97Å; H157-A160 PolarHBondContact O-N 3.37Å; H157-Y161 WeakPolarHBondContact O-CB 3.4Å; H157-Y161 PolarHBondContact O-N 2.76Å
158	R	92.5	Very high	91.3	Very high	129 Å²	129	63 Å²	63	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-42.8	172.1	-70.3	175.5	174	-109.6	1.5	110.3	D152 D155 Y161 W162	D152-R158 IonicContact OD1-NH1 3.95Å; D152-R158 PolarHBondContact OD1-NH1 3.4Å; D155-R158 HydrophobicContact CB-CB 4.11Å; D155-R158 HydrophobicContact CB-CG 4.2Å; D155-R158 PolarHBondContact O-N 2.93Å; D155-R158 WeakPolarHBondContact OD1-CG 3.48Å; D155-R158 PolarHBondContact OD1-N 3.33Å; R158-Y161 PolarHBondContact O-N 2.93Å; R158-W162 PolarHBondContact O-N 3.26Å
159	R	92.1	Very high	91.5	Very high	59 Å²	59	64.8 Å²	64.8	22%	0.223	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-48.2	178.4	-169.4	168.2	67	-104.5	-3.4	112.8	D152 F153 D155 D156 H157 Y161 W162 R163 E218	D152-R159 WeakPolarHBondContact O-CA 3.33Å; D152-R159 PolarHBondContact O-N 3.07Å; F153-R159 WeakPolarHBondContact O-CD 3.44Å; F153-R159 PolarHBondContact O-NH1 3.22Å; D155-R159 WeakPolarHBondContact O-CB 3.32Å; D155-R159 PolarHBondContact O-N 3Å; D156-R159 IonicContact OD1-CZ 3.67Å; D156-R159 IonicContact OD1-NH1 3.78Å; D156-R159 PolarHBondContact OD1-NH1 3.39Å; D156-R159 IonicContact OD1-NH2 2.6Å; D156-R159 PolarHBondContact OD1-NH2 2.92Å; H157-R159 VanDerWaalsContact C-N 3.26Å; H157-R159 PolarHBondContact O-N 2.97Å; R159-Y161 VanDerWaalsContact C-N 3.33Å; R159-Y161 PolarHBondContact O-N 3.04Å; R159-W162 HydrophobicContact CG-CZ2 4.06Å; R159-R163 WeakPolarHBondContact O-CB 3.05Å; R159-R163 VanDerWaalsContact O-CG 3.3Å; R159-R163 WeakPolarHBondContact O-CG 3.34Å; R159-R163 PolarHBondContact O-N 3.23Å; R159-R163 VanDerWaalsContact O-N 3.16Å; R159-E218 IonicContact NE-OE1 2.91Å
160	A	90.7	Very high	91.7	Very high	53 Å²	53	64.3 Å²	64.3	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-38.9	175.6	0	0	0	0	0	112.5	D156 H157 T164	D156-A160 WeakPolarHBondContact O-CB 3.23Å; D156-A160 PolarHBondContact O-N 2.82Å; H157-A160 PolarHBondContact O-N 3.37Å; A160-T164 PolarHBondContact O-N 2.96Å; A160-T164 VanDerWaalsContact O-N 3.1Å; A160-T164 PolarHBondContact O-OG1 2.91Å
161	Y	95.4	Very high	92.2	Very high	184 Å²	184	67.6 Å²	67.6	72%	0.722	34%	0.337	S	S	*	.	H	α-helix	trans	-65.8	-53.5	-178.3	-172.8	-93	0	0	0	112.3	H157 R158 R159 R163 T164 A165	H157-Y161 WeakPolarHBondContact O-CB 3.4Å; H157-Y161 PolarHBondContact O-N 2.76Å; R158-Y161 PolarHBondContact O-N 2.93Å; R159-Y161 VanDerWaalsContact C-N 3.33Å; R159-Y161 PolarHBondContact O-N 3.04Å; Y161-R163 VanDerWaalsContact C-N 3.29Å; Y161-R163 PolarHBondContact O-N 3.22Å; Y161-T164 PolarHBondContact O-N 3.26Å; Y161-A165 PolarHBondContact O-N 3.39Å
162	W	95.1	Very high	92.7	Very high	10 Å²	10	71.2 Å²	71.2	4%	0.038	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-31.9	-179.8	73.4	-110.8	0	0	0	111.9	M146 L148 D152 F153 R158 R159 T164 A165 L166 L215 E218	M146-W162 HydrophobicContact CE-CE3 4.37Å; M146-W162 HydrophobicContact SD-CB 4.29Å; L148-W162 HydrophobicContact CD1-CD2 4.38Å; L148-W162 HydrophobicContact CD1-CE3 4.46Å; L148-W162 HydrophobicContact CD2-CB 4.1Å; L148-W162 HydrophobicContact CD2-CD2 4.48Å; L148-W162 HydrophobicContact CD2-CG 4.03Å; D152-W162 VanDerWaalsContact O-CD1 3.31Å; D152-W162 PolarHBondContact O-NE1 2.8Å; F153-W162 AromaticContact CD1-CZ2 3.92Å; F153-W162 HydrophobicContact CD1-CZ2 3.92Å; F153-W162 AromaticContact CE1-CH2 4Å; F153-W162 HydrophobicContact CE1-CH2 4Å; F153-W162 AromaticContact CE1-CZ2 3.56Å; F153-W162 HydrophobicContact CE1-CZ2 3.56Å; F153-W162 HydrophobicContact CZ-CZ2 4.11Å; R158-W162 PolarHBondContact O-N 3.26Å; R159-W162 HydrophobicContact CG-CZ2 4.06Å; W162-T164 VanDerWaalsContact C-N 3.32Å; W162-T164 PolarHBondContact O-N 2.92Å; W162-A165 PolarHBondContact O-N 3.11Å; W162-L166 HydrophobicContact CE3-CB 4.47Å; W162-L166 HydrophobicContact CE3-CD2 4.25Å; W162-L166 HydrophobicContact CZ3-CD2 3.98Å; W162-L166 VanDerWaalsContact O-CB 3.24Å; W162-L166 WeakPolarHBondContact O-CB 3.5Å; W162-L166 PolarHBondContact O-N 2.77Å; W162-L215 HydrophobicContact CH2-CD2 4.21Å; W162-L215 HydrophobicContact CH2-CG 4.49Å; W162-L215 HydrophobicContact CZ3-CD2 3.79Å; W162-L215 HydrophobicContact CZ3-CG 4.48Å; W162-E218 HydrophobicContact CH2-CB 3.94Å; W162-E218 HydrophobicContact CH2-CG 4.24Å; W162-E218 HydrophobicContact CZ2-CG 4.38Å
163	R	95.1	Very high	92.8	Very high	88 Å²	88	72.4 Å²	72.4	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-43.5	173.3	-84	-179.3	67.1	144.4	7.1	111.8	R159 Y161 L166 Q167 E218	R159-R163 WeakPolarHBondContact O-CB 3.05Å; R159-R163 VanDerWaalsContact O-CG 3.3Å; R159-R163 WeakPolarHBondContact O-CG 3.34Å; R159-R163 PolarHBondContact O-N 3.23Å; R159-R163 VanDerWaalsContact O-N 3.16Å; Y161-R163 VanDerWaalsContact C-N 3.29Å; Y161-R163 PolarHBondContact O-N 3.22Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 PolarHBondContact O-N 3.33Å; R163-E218 IonicContact CZ-OE2 3.18Å; R163-E218 PolarHBondContact NH1-O 2.9Å; R163-E218 IonicContact NH1-OE2 2.62Å; R163-E218 PolarHBondContact NH1-OE2 3.16Å; R163-E218 PolarHBondContact NH2-O 3.19Å
164	T	95.5	Very high	93.2	Very high	86 Å²	86	72.9 Å²	72.9	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-51	178.4	-55.5	0	0	0	0	110.3	A160 Y161 W162 L166 Q167 D168	A160-T164 PolarHBondContact O-N 2.96Å; A160-T164 VanDerWaalsContact O-N 3.1Å; A160-T164 PolarHBondContact O-OG1 2.91Å; Y161-T164 PolarHBondContact O-N 3.26Å; W162-T164 VanDerWaalsContact C-N 3.32Å; W162-T164 PolarHBondContact O-N 2.92Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 3.47Å; T164-Q167 PolarHBondContact O-N 2.86Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; T164-D168 PolarHBondContact O-N 3.25Å
165	A	96.4	Very high	94	Very high	38 Å²	38	68.8 Å²	68.8	31%	0.314	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-42	178	0	0	0	0	0	112.3	Y161 W162 D168 L169	Y161-A165 PolarHBondContact O-N 3.39Å; W162-A165 PolarHBondContact O-N 3.11Å; A165-D168 PolarHBondContact O-N 3.2Å; A165-L169 WeakPolarHBondContact O-CG 3.45Å; A165-L169 PolarHBondContact O-N 2.97Å; A165-L169 VanDerWaalsContact O-N 3.12Å
166	L	96.8	Very high	94.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-40.8	178.5	-173.2	57.8	0	0	0	112.1	M146 W162 R163 T164 D168 L169 L170 P176 I178 L215 L219	M146-L166 HydrophobicContact CE-CB 4.14Å; M146-L166 HydrophobicContact CE-CD1 3.89Å; M146-L166 HydrophobicContact CE-CD2 3.92Å; M146-L166 HydrophobicContact CE-CG 4.22Å; W162-L166 HydrophobicContact CE3-CB 4.47Å; W162-L166 HydrophobicContact CE3-CD2 4.25Å; W162-L166 HydrophobicContact CZ3-CD2 3.98Å; W162-L166 VanDerWaalsContact O-CB 3.24Å; W162-L166 WeakPolarHBondContact O-CB 3.5Å; W162-L166 PolarHBondContact O-N 2.77Å; R163-L166 PolarHBondContact O-N 3.11Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 3.47Å; L166-D168 VanDerWaalsContact C-N 3.32Å; L166-D168 PolarHBondContact O-N 3Å; L166-L169 HydrophobicContact CD1-CD1 4.45Å; L166-L169 PolarHBondContact O-N 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 2.82Å; L166-L170 VanDerWaalsContact O-N 3.12Å; L166-P176 HydrophobicContact CD1-CB 3.41Å; L166-P176 VanDerWaalsContact CD1-CB 3.41Å; L166-P176 HydrophobicContact CD1-CG 3.38Å; L166-I178 HydrophobicContact CD1-CD1 3.98Å; L166-I178 HydrophobicContact CD2-CD1 3.83Å; L166-L215 HydrophobicContact CD2-CD2 3.38Å; L166-L219 HydrophobicContact CD2-CD1 3.6Å; L166-L219 HydrophobicContact CD2-CD2 4.08Å; L166-L219 HydrophobicContact CD2-CG 4.33Å; L166-L219 HydrophobicContact CG-CD1 4.46Å
167	Q	95.2	Very high	95.1	Very high	54 Å²	54	60.8 Å²	60.8	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-36.6	176.4	-169.5	59.8	62.5	0	0	111.7	R163 T164 L170 N171	R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 PolarHBondContact O-N 3.33Å; T164-Q167 PolarHBondContact O-N 2.86Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; Q167-L170 PolarHBondContact O-N 2.89Å; Q167-N171 PolarHBondContact NE2-OD1 2.82Å; Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 2.8Å; Q167-N171 PolarHBondContact O-ND2 3.19Å; Q167-N171 PolarHBondContact O-OD1 3.25Å
168	D	96.7	Very high	95.5	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-39.8	175.1	-71.7	-19.8	0	0	0	112.3	T164 A165 L166 N171 Q172	T164-D168 PolarHBondContact O-N 3.25Å; A165-D168 PolarHBondContact O-N 3.2Å; L166-D168 VanDerWaalsContact C-N 3.32Å; L166-D168 PolarHBondContact O-N 3Å; D168-N171 PolarHBondContact O-N 3Å; D168-Q172 WeakPolarHBondContact O-CG 3.22Å; D168-Q172 PolarHBondContact O-N 3.32Å
169	L	97	Very high	95.6	Very high	42 Å²	42	47.1 Å²	47.1	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-48.2	173.7	-69.4	171.6	0	0	0	111.2	A144 A165 L166 N171 Q172 G173 V174 P176	A144-L169 HydrophobicContact CB-CD1 3.9Å; A144-L169 HydrophobicContact CB-CD2 3.74Å; A144-L169 HydrophobicContact CB-CG 4.46Å; A165-L169 WeakPolarHBondContact O-CG 3.45Å; A165-L169 PolarHBondContact O-N 2.97Å; A165-L169 VanDerWaalsContact O-N 3.12Å; L166-L169 HydrophobicContact CD1-CD1 4.45Å; L166-L169 PolarHBondContact O-N 3.25Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.32Å; L169-Q172 PolarHBondContact O-N 3.36Å; L169-Q172 VanDerWaalsContact O-N 3.1Å; L169-G173 PolarHBondContact O-N 2.76Å; L169-V174 HydrophobicContact CB-CB 4.22Å; L169-V174 HydrophobicContact CD2-CB 4.27Å; L169-V174 HydrophobicContact CD2-CG1 4.1Å; L169-V174 HydrophobicContact CD2-CG2 4.46Å; L169-V174 WeakPolarHBondContact O-CB 3.36Å; L169-V174 PolarHBondContact O-N 2.79Å; L169-P176 HydrophobicContact CB-CG 4.29Å; L169-P176 HydrophobicContact CD1-CB 4.49Å
170	L	96	Very high	95.6	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-38.5	-180	-66.2	172.7	0	0	0	112.5	Q92 I94 L166 Q167 Q172 G173 P176	Q92-L170 HydrophobicContact CB-CD2 4.32Å; Q92-L170 PolarHBondContact NE2-O 3.26Å; I94-L170 HydrophobicContact CD1-CD1 4.04Å; I94-L170 HydrophobicContact CD1-CD2 4.41Å; I94-L170 HydrophobicContact CG1-CD1 4.31Å; I94-L170 HydrophobicContact CG1-CD2 3.8Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 2.82Å; L166-L170 VanDerWaalsContact O-N 3.12Å; Q167-L170 PolarHBondContact O-N 2.89Å; L170-Q172 PolarHBondContact O-N 3.2Å; L170-G173 PolarHBondContact O-N 3.41Å; L170-G173 VanDerWaalsContact O-N 3.15Å; L170-P176 HydrophobicContact CD2-CG 3.83Å; L170-P176 HydrophobicContact CG-CG 4.32Å
171	N	94.4	Very high	95.6	Very high	104 Å²	104	44.1 Å²	44.1	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-23.1	176.7	-69	-13.3	0	0	0	112.5	Q167 D168 L169	Q167-N171 PolarHBondContact NE2-OD1 2.82Å; Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 2.8Å; Q167-N171 PolarHBondContact O-ND2 3.19Å; Q167-N171 PolarHBondContact O-OD1 3.25Å; D168-N171 PolarHBondContact O-N 3Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.32Å
172	Q	95	Very high	95.3	Very high	118 Å²	118	36.6 Å²	36.6	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	7.7	176.4	-68.5	-175.6	60.6	0	0	113.6	R142 D168 L169 L170 V174	R142-Q172 PolarHBondContact NH2-O 3.18Å; D168-Q172 WeakPolarHBondContact O-CG 3.22Å; D168-Q172 PolarHBondContact O-N 3.32Å; L169-Q172 PolarHBondContact O-N 3.36Å; L169-Q172 VanDerWaalsContact O-N 3.1Å; L170-Q172 PolarHBondContact O-N 3.2Å; Q172-V174 HydrophobicContact CB-CG2 4.24Å; Q172-V174 PolarHBondContact O-N 3.14Å
173	G	93	Very high	94.9	Very high	46 Å²	46	38 Å²	38	47%	0.474	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	23.8	-178.6	0	0	0	0	0	113.5	L169 L170	L169-G173 PolarHBondContact O-N 2.76Å; L170-G173 PolarHBondContact O-N 3.41Å; L170-G173 VanDerWaalsContact O-N 3.15Å
174	V	97	Very high	94.7	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.085	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.8	173.9	179	0	0	0	0	108.7	R142 A144 L169 Q172 P176	R142-V174 HydrophobicContact CB-CG2 4.22Å; R142-V174 WeakPolarHBondContact O-CA 3.18Å; R142-V174 WeakPolarHBondContact O-CG1 3.49Å; A144-V174 HydrophobicContact CB-CG1 3.73Å; L169-V174 HydrophobicContact CB-CB 4.22Å; L169-V174 HydrophobicContact CD2-CB 4.27Å; L169-V174 HydrophobicContact CD2-CG1 4.1Å; L169-V174 HydrophobicContact CD2-CG2 4.46Å; L169-V174 WeakPolarHBondContact O-CB 3.36Å; L169-V174 PolarHBondContact O-N 2.79Å; Q172-V174 HydrophobicContact CB-CG2 4.24Å; Q172-V174 PolarHBondContact O-N 3.14Å; V174-P176 WeakPolarHBondContact O-CD 2.93Å
175	V	97.8	Very high	93.7	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.9	172.7	-177.8	0	0	0	0	109.1	I83 F136 L141 R142 T143 A144 I177	I83-V175 HydrophobicContact CG2-CG1 4.48Å; F136-V175 HydrophobicContact CD1-CG2 4.33Å; F136-V175 HydrophobicContact CE1-CB 4.31Å; F136-V175 HydrophobicContact CE1-CG1 3.96Å; F136-V175 HydrophobicContact CE1-CG2 4.17Å; F136-V175 HydrophobicContact CE2-CG1 4.39Å; F136-V175 HydrophobicContact CZ-CG1 3.84Å; L141-V175 HydrophobicContact CB-CG2 4.48Å; L141-V175 HydrophobicContact CD1-CG2 4.18Å; R142-V175 PolarHBondContact O-N 2.75Å; T143-V175 WeakPolarHBondContact CA-O 3.47Å; A144-V175 PolarHBondContact N-O 3.41Å; V175-I177 HydrophobicContact CG1-CD1 4.45Å
176	P	98.1	Very high	92	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.6	-179.2	-15.1	33	0	0	0	110.6	C93 I94 L95 A144 L166 L169 L170 V174 I178	C93-P176 WeakPolarHBondContact O-CD 3.38Å; I94-P176 HydrophobicContact CG1-CG 4.33Å; I94-P176 HydrophobicContact CG2-CB 4.48Å; L95-P176 PolarHBondContact N-O 2.82Å; A144-P176 CarbonylContact O-C 3.59Å; A144-P176 WeakPolarHBondContact O-CA 3.31Å; L166-P176 HydrophobicContact CD1-CB 3.41Å; L166-P176 VanDerWaalsContact CD1-CB 3.41Å; L166-P176 HydrophobicContact CD1-CG 3.38Å; L169-P176 HydrophobicContact CB-CG 4.29Å; L169-P176 HydrophobicContact CD1-CB 4.49Å; L170-P176 HydrophobicContact CD2-CG 3.83Å; L170-P176 HydrophobicContact CG-CG 4.32Å; V174-P176 WeakPolarHBondContact O-CD 2.93Å; P176-I178 HydrophobicContact CB-CD1 4.43Å; P176-I178 HydrophobicContact CB-CG1 4.23Å
177	I	97.8	Very high	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	105.9	174	-45.1	-61	0	0	0	107.8	L95 T97 M125 Y132 F136 T143 A144 A145 M146 V175	L95-I177 HydrophobicContact CB-CD1 4.02Å; L95-I177 HydrophobicContact CD2-CD1 3.94Å; L95-I177 HydrophobicContact CG-CD1 4.49Å; L95-I177 CarbonylContact O-C 3.46Å; L95-I177 WeakPolarHBondContact O-CA 3.18Å; T97-I177 HydrophobicContact CG2-CG2 4.17Å; M125-I177 HydrophobicContact CE-CG2 4.48Å; Y132-I177 HydrophobicContact CD2-CG2 3.74Å; Y132-I177 HydrophobicContact CE2-CG2 4.21Å; Y132-I177 HydrophobicContact CG-CD1 4.35Å; Y132-I177 HydrophobicContact CG-CG2 4.39Å; F136-I177 HydrophobicContact CD2-CD1 4.2Å; F136-I177 HydrophobicContact CE2-CD1 3.77Å; T143-I177 HydrophobicContact CG2-CD1 4.21Å; T143-I177 HydrophobicContact CG2-CG1 4.35Å; A144-I177 PolarHBondContact O-N 3.14Å; A145-I177 WeakPolarHBondContact CA-O 3.33Å; M146-I177 PolarHBondContact N-O 2.95Å; V175-I177 HydrophobicContact CG1-CD1 4.45Å
178	I	97.2	Very high	87.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.4	-173.4	-51.3	-176.1	0	0	0	110.7	I94 L95 V96 T97 M146 L148 L166 P176 L211 L215	I94-I178 HydrophobicContact CG2-CD1 3.61Å; I94-I178 HydrophobicContact CG2-CG1 4.13Å; L95-I178 PolarHBondContact O-N 2.77Å; V96-I178 CarbonylContact C-O 3.26Å; V96-I178 VanDerWaalsContact CA-O 3.31Å; V96-I178 WeakPolarHBondContact CA-O 3.39Å; V96-I178 HydrophobicContact CG2-CB 4.39Å; T97-I178 PolarHBondContact N-O 2.89Å; M146-I178 HydrophobicContact CB-CG1 4.45Å; M146-I178 HydrophobicContact CE-CD1 3.56Å; M146-I178 HydrophobicContact CE-CG1 4.08Å; M146-I178 WeakPolarHBondContact O-CA 3.45Å; L148-I178 HydrophobicContact CD1-CG2 4.11Å; L148-I178 HydrophobicContact CG-CG2 4.43Å; L166-I178 HydrophobicContact CD1-CD1 3.98Å; L166-I178 HydrophobicContact CD2-CD1 3.83Å; P176-I178 HydrophobicContact CB-CD1 4.43Å; P176-I178 HydrophobicContact CB-CG1 4.23Å; I178-L211 HydrophobicContact CG2-CD2 4.16Å; I178-L215 HydrophobicContact CB-CD1 4.39Å; I178-L215 HydrophobicContact CD1-CD1 3.73Å; I178-L215 HydrophobicContact CD1-CD2 3.73Å; I178-L215 HydrophobicContact CD1-CG 4.4Å; I178-L215 HydrophobicContact CG2-CD1 3.78Å
179	N	95.2	Very high	85.2	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.9	172.4	-170.7	13.4	0	0	0	110	T97 M125 M146 L147 L148 N208	T97-N179 HydrophobicContact CG2-CB 4.09Å; T97-N179 PolarHBondContact O-OD1 3.09Å; M125-N179 HydrophobicContact CE-CB 3.88Å; M125-N179 HydrophobicContact SD-CB 3.74Å; M125-N179 PolarHBondContact SD-ND2 3.48Å; M146-N179 PolarHBondContact O-N 3.48Å; L147-N179 WeakPolarHBondContact CA-O 3.48Å; L147-N179 HydrophobicContact CD2-CB 3.91Å; L148-N179 PolarHBondContact N-O 3.46Å; L148-N179 VanDerWaalsContact N-O 3.14Å; N179-N208 PolarHBondContact OD1-ND2 3.35Å; N179-N208 PolarHBondContact OD1-OD1 2.96Å; N179-N208 VanDerWaalsContact OD1-OD1 3.08Å
180	T	91.5	Very high	82.5	Confident	15 Å²	15	57.6 Å²	57.6	9%	0.092	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.5	165.7	35.9	0	0	0	0	110.5	L148 D182 V205 N208 L211	L148-T180 CarbonylContact O-C 3.52Å; L148-T180 WeakPolarHBondContact O-CA 3.36Å; T180-D182 PolarHBondContact O-N 3.47Å; T180-D182 PolarHBondContact OG1-OD2 2.99Å; T180-V205 HydrophobicContact CG2-CG1 4.14Å; T180-N208 PolarHBondContact N-OD1 3.11Å; T180-N208 VanDerWaalsContact N-OD1 3.09Å; T180-N208 PolarHBondContact OG1-OD1 3.28Å; T180-L211 HydrophobicContact CG2-CD2 4.01Å
181	N	92.1	Very high	79.2	Confident	33 Å²	33	61.4 Å²	61.4	18%	0.176	34%	0.342	C	S	.	.			trans	-80.5	64.6	175.5	-160.1	-11.4	0	0	0	111.2	L147 L148 T149 A183 V184 A185	L147-N181 HydrophobicContact CB-CB 3.8Å; L148-N181 PolarHBondContact O-N 3.31Å; T149-N181 HydrophobicContact CG2-CB 3.81Å; N181-A183 PolarHBondContact O-N 2.84Å; N181-A183 WeakPolarHBondContact OD1-CB 3.48Å; N181-V184 HydrophobicContact CB-CG2 4.06Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.43Å; N181-V184 PolarHBondContact O-N 3.37Å; N181-V184 VanDerWaalsContact O-N 3.08Å; N181-A185 WeakPolarHBondContact O-CB 3.4Å; N181-A185 PolarHBondContact O-N 3.22Å
182	D	87.5	Confident	76.1	Confident	26 Å²	26	63 Å²	63	14%	0.139	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13	177.2	-76.6	-90.1	0	0	0	113.1	I101 R117 G118 A121 T180 V184	I101-D182 HydrophobicContact CD1-CB 4.08Å; I101-D182 HydrophobicContact CG1-CB 4.42Å; R117-D182 IonicContact CZ-OD1 3.21Å; R117-D182 IonicContact NE-OD1 3.33Å; R117-D182 PolarHBondContact NE-OD1 2.67Å; R117-D182 IonicContact NH2-OD1 2.97Å; R117-D182 PolarHBondContact NH2-OD1 2.91Å; G118-D182 VanDerWaalsContact CA-O 3.29Å; G118-D182 WeakPolarHBondContact CA-O 3.49Å; A121-D182 HydrophobicContact CB-CB 3.41Å; A121-D182 VanDerWaalsContact CB-CB 3.41Å; T180-D182 PolarHBondContact O-N 3.47Å; T180-D182 PolarHBondContact OG1-OD2 2.99Å; D182-V184 VanDerWaalsContact C-N 3.32Å
183	A	88.4	Confident	73	Confident	39 Å²	39	61.5 Å²	61.5	32%	0.322	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.9	174.9	0	0	0	0	0	113.1	G118 A122 N181	G118-A183 WeakPolarHBondContact O-CA 3.46Å; A122-A183 HydrophobicContact CB-CB 3.87Å; N181-A183 PolarHBondContact O-N 2.84Å; N181-A183 WeakPolarHBondContact OD1-CB 3.48Å
184	V	89.1	Confident	69.9	Low	99 Å²	99	64.1 Å²	64.1	60%	0.6	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-11.4	-177.1	-56.2	0	0	0	0	113.4	T149 N181 D182 W186	T149-V184 HydrophobicContact CG2-CG2 3.96Å; N181-V184 HydrophobicContact CB-CG2 4.06Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.43Å; N181-V184 PolarHBondContact O-N 3.37Å; N181-V184 VanDerWaalsContact O-N 3.08Å; D182-V184 VanDerWaalsContact C-N 3.32Å; V184-W186 PolarHBondContact O-N 3.5Å
185	A	75.3	Confident	66.8	Low	43 Å²	43	69.4 Å²	69.4	36%	0.355	41%	0.411	S	S	.	.			trans	-63.2	118.3	176.9	0	0	0	0	0	110.8	N181	N181-A185 WeakPolarHBondContact O-CB 3.4Å; N181-A185 PolarHBondContact O-N 3.22Å
186	W	61.6	Low	63.7	Low	173 Å²	173	73.1 Å²	73.1	66%	0.655	44%	0.436	S	S	*	.			trans	-108.3	127.7	-175.6	178.9	-74	0	0	0	110.7	V184 K188 E189	V184-W186 PolarHBondContact O-N 3.5Å; W186-K188 VanDerWaalsContact NE1-CB 3.28Å; W186-K188 PolarHBondContact O-N 2.98Å; W186-E189 PolarHBondContact O-N 3.22Å
187	S	52.1	Low	60.7	Low	119 Å²	119	77.9 Å²	77.9	83%	0.832	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-64.1	-12.8	-170.6	57.1	0	0	0	0	116.5
188	K	44.1	Very low	58.1	Low	160 Å²	160	80.6 Å²	80.6	70%	0.696	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-89.4	4.9	176.6	-59.7	-175.4	172.2	-179.3	0	115.6	W186 N190	W186-K188 VanDerWaalsContact NE1-CB 3.28Å; W186-K188 PolarHBondContact O-N 2.98Å; K188-N190 PolarHBondContact O-N 3.36Å
189	E	48.2	Very low	55.7	Low	112 Å²	112	83.5 Å²	83.5	52%	0.523	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-74.5	6.4	170.8	-81.9	-178.5	157.7	0	0	113.9	V151 W186 P191	V151-E189 WeakPolarHBondContact CG2-OE1 2.99Å; V151-E189 WeakPolarHBondContact CG2-OE2 3.36Å; W186-E189 PolarHBondContact O-N 3.22Å; E189-P191 VanDerWaalsContact O-CD 3.28Å; E189-P191 WeakPolarHBondContact O-CD 3.5Å
190	N	40.2	Very low	53.7	Low	95 Å²	95	86.3 Å²	86.3	51%	0.508	52%	0.521	S	S	.	.	S	Bend	trans	-91.1	96.5	153	-92.1	-27.1	0	0	0	108.3	K188 T192 Q204	K188-N190 PolarHBondContact O-N 3.36Å; N190-T192 PolarHBondContact O-N 3.25Å; N190-Q204 PolarHBondContact OD1-NE2 3.48Å
191	P	28.5	Very low	51.8	Low	88 Å²	88	90 Å²	90	57%	0.571	55%	0.548	S	S	*	.			trans	-66.9	122.3	178.2	-5.9	23.7	0	0	0	107.7	E189 G193	E189-P191 VanDerWaalsContact O-CD 3.28Å; E189-P191 WeakPolarHBondContact O-CD 3.5Å; P191-G193 PolarHBondContact O-N 2.96Å
192	T	27.4	Very low	50.3	Low	136 Å²	136	90.1 Å²	90.1	83%	0.834	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	16	104.2	145.7	53.1	0	0	0	0	115.8	N190 T194	N190-T192 PolarHBondContact O-N 3.25Å; T192-T194 PolarHBondContact O-N 2.88Å
193	G	29.9	Very low	49.6	Very low	87 Å²	87	89.3 Å²	89.3	90%	0.897	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-4.6	150.7	0	0	0	0	0	118.2	P191	P191-G193 PolarHBondContact O-N 2.96Å
194	T	29.3	Very low	49.1	Very low	102 Å²	102	89.4 Å²	89.4	63%	0.626	54%	0.542	S	S	*	.			trans	-96	104.8	164.3	2.6	0	0	0	0	108.6	T192 C196	T192-T194 PolarHBondContact O-N 2.88Å; T194-C196 PolarHBondContact O-N 3.26Å
195	T	30.6	Very low	48.8	Very low	124 Å²	124	85 Å²	85	76%	0.761	52%	0.516	S	S	*	.			trans	-60.2	75.4	156.5	47	0	0	0	0	108	T197	T195-T197 PolarHBondContact O-N 3.42Å
196	C	32.7	Very low	49.1	Very low	82 Å²	82	90 Å²	90	55%	0.554	53%	0.526	S	S	*	.			trans	-70.9	76.3	161.1	-72.4	0	0	0	0	105.9	T194	T194-C196 PolarHBondContact O-N 3.26Å
197	T	37	Very low	50.2	Low	100 Å²	100	82.6 Å²	82.6	61%	0.613	50%	0.499	S	S	*	.			trans	-52	142.7	163.9	40.7	0	0	0	0	107.6	T195 T199	T195-T197 PolarHBondContact O-N 3.42Å; T197-T199 WeakPolarHBondContact O-CG2 3.45Å; T197-T199 PolarHBondContact O-N 2.92Å
198	D	43	Very low	52.1	Low	56 Å²	56	77.6 Å²	77.6	30%	0.299	46%	0.463	S	S	.	.			trans	-50.7	108.1	172.3	-67.3	-46.5	0	0	0	107.6	Q204 R206	D198-Q204 PolarHBondContact OD1-N 3.39Å; D198-R206 IonicContact OD1-CZ 3.46Å; D198-R206 IonicContact OD1-NH2 3.16Å; D198-R206 PolarHBondContact OD1-NH2 3.07Å; D198-R206 IonicContact OD2-CZ 3.99Å; D198-R206 IonicContact OD2-NH1 2.66Å; D198-R206 IonicContact OD2-NH2 3.68Å; D198-R206 PolarHBondContact OD2-NH2 2.8Å
199	T	46.4	Very low	54.4	Low	61 Å²	61	70.1 Å²	70.1	37%	0.374	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-84.3	156.6	-179.9	56	0	0	0	0	107.9	T197 S201 A202	T197-T199 WeakPolarHBondContact O-CG2 3.45Å; T197-T199 PolarHBondContact O-N 2.92Å; T199-S201 PolarHBondContact O-N 2.87Å; T199-S201 PolarHBondContact OG1-OG 3.31Å; T199-S201 VanDerWaalsContact OG1-OG 3.07Å; T199-A202 PolarHBondContact N-O 3.46Å; T199-A202 PolarHBondContact O-N 3.4Å; T199-A202 PolarHBondContact OG1-N 3.19Å
200	A	52.8	Low	56.4	Low	63 Å²	63	65 Å²	65	52%	0.521	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.1	173.8	0	0	0	0	0	112.9	P255 Q295	A200-P255 HydrophobicContact CB-CG 3.92Å; A200-Q295 PolarHBondContact O-NE2 3.2Å
201	S	50.8	Low	59	Low	93 Å²	93	60.5 Å²	60.5	65%	0.65	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-18.9	179.7	47.1	0	0	0	0	115.8	T199	T199-S201 PolarHBondContact O-N 2.87Å; T199-S201 PolarHBondContact OG1-OG 3.31Å; T199-S201 VanDerWaalsContact OG1-OG 3.07Å
202	A	61.9	Low	62.2	Low	34 Å²	34	56.3 Å²	56.3	28%	0.281	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-155.3	112.6	-168.1	0	0	0	0	0	115.1	T199	T199-A202 PolarHBondContact N-O 3.46Å; T199-A202 PolarHBondContact O-N 3.4Å; T199-A202 PolarHBondContact OG1-N 3.19Å
203	L	71.3	Confident	65.4	Low	9 Å²	9	49.8 Å²	49.8	5%	0.047	32%	0.316	C	S	.	.			trans	-89.2	106.3	175.1	177	74.2	0	0	0	112.9	V205 A213 R214 W291	L203-V205 PolarHBondContact O-N 3.01Å; L203-A213 HydrophobicContact CD2-CB 3.71Å; L203-R214 WeakPolarHBondContact O-CD 3.38Å; L203-R214 VanDerWaalsContact O-CZ 3.23Å; L203-R214 PolarHBondContact O-NE 3.42Å; L203-R214 PolarHBondContact O-NH1 3.26Å; L203-W291 HydrophobicContact CB-CD2 3.45Å; L203-W291 VanDerWaalsContact CB-CD2 3.45Å; L203-W291 VanDerWaalsContact CB-CE2 3.47Å; L203-W291 HydrophobicContact CB-CE3 3.85Å; L203-W291 HydrophobicContact CB-CG 3.79Å; L203-W291 HydrophobicContact CB-CH2 4.28Å; L203-W291 HydrophobicContact CB-CZ2 3.92Å; L203-W291 HydrophobicContact CB-CZ3 4.23Å; L203-W291 HydrophobicContact CD1-CB 4.34Å; L203-W291 HydrophobicContact CD1-CG 4.26Å; L203-W291 HydrophobicContact CD2-CB 4.29Å; L203-W291 HydrophobicContact CD2-CD2 4.01Å; L203-W291 HydrophobicContact CD2-CE3 3.81Å; L203-W291 HydrophobicContact CD2-CG 4.21Å; L203-W291 HydrophobicContact CD2-CZ3 4.47Å; L203-W291 HydrophobicContact CG-CD2 4.25Å; L203-W291 HydrophobicContact CG-CE3 4.46Å; L203-W291 HydrophobicContact CG-CG 4.32Å
204	Q	78.5	Confident	68.4	Low	41 Å²	41	46.4 Å²	46.4	19%	0.192	28%	0.276	C	S	.	.			trans	-57.1	131.6	-175.8	-148.1	177.6	29.2	0	0	112.4	N190 D198 R206	N190-Q204 PolarHBondContact OD1-NE2 3.48Å; D198-Q204 PolarHBondContact OD1-N 3.39Å; Q204-R206 WeakPolarHBondContact O-CG 3.45Å; Q204-R206 PolarHBondContact O-N 3Å
205	V	83.4	Confident	71.5	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.048	25%	0.246	C	C	.	.			trans	-75.7	109.2	179.2	-179.5	0	0	0	0	108.8	P150 F153 T180 L203 L211 R214	P150-V205 WeakPolarHBondContact CG-O 3.5Å; F153-V205 HydrophobicContact CB-CG2 4.4Å; F153-V205 HydrophobicContact CD1-CG2 4.31Å; F153-V205 HydrophobicContact CD2-CB 4.5Å; F153-V205 HydrophobicContact CD2-CG2 3.71Å; F153-V205 HydrophobicContact CE2-CG2 4.02Å; F153-V205 HydrophobicContact CG-CG2 3.87Å; F153-V205 HydrophobicContact CZ-CG2 4.45Å; T180-V205 HydrophobicContact CG2-CG1 4.14Å; L203-V205 PolarHBondContact O-N 3.01Å; V205-L211 HydrophobicContact CG1-CB 3.96Å; V205-L211 HydrophobicContact CG1-CD1 4.13Å; V205-R214 HydrophobicContact CG2-CB 4.09Å; V205-R214 HydrophobicContact CG2-CG 4.16Å
206	R	80.8	Confident	74.6	Confident	147 Å²	147	35.7 Å²	35.7	56%	0.555	21%	0.21	S	C	*	.			trans	-116.4	-28.2	-176.1	-58.7	170	-161.6	174.9	6.2	112.7	D198 Q204 S210	D198-R206 IonicContact OD1-CZ 3.46Å; D198-R206 IonicContact OD1-NH2 3.16Å; D198-R206 PolarHBondContact OD1-NH2 3.07Å; D198-R206 IonicContact OD2-CZ 3.99Å; D198-R206 IonicContact OD2-NH1 2.66Å; D198-R206 IonicContact OD2-NH2 3.68Å; D198-R206 PolarHBondContact OD2-NH2 2.8Å; Q204-R206 WeakPolarHBondContact O-CG 3.45Å; Q204-R206 PolarHBondContact O-N 3Å; R206-S210 PolarHBondContact N-OG 3.41Å
207	D	85.3	Confident	77.4	Confident	17 Å²	17	32.9 Å²	32.9	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-153	-179.3	-177	62.3	15.2	0	0	0	109.5	D209 S210 L211 S284	D207-D209 VanDerWaalsContact C-N 3.27Å; D207-D209 PolarHBondContact O-N 3.39Å; D207-D209 WeakPolarHBondContact OD1-CB 3.47Å; D207-D209 PolarHBondContact OD1-N 3.16Å; D207-D209 VanDerWaalsContact OD1-N 3.11Å; D207-S210 PolarHBondContact N-OG 3.33Å; D207-S210 PolarHBondContact O-N 3.09Å; D207-S210 PolarHBondContact O-OG 3.45Å; D207-S210 PolarHBondContact OD1-N 3.03Å; D207-S210 PolarHBondContact OD1-OG 3.22Å; D207-L211 WeakPolarHBondContact O-CB 3.42Å; D207-L211 PolarHBondContact O-N 3.3Å; D207-S284 WeakPolarHBondContact OD2-CB 3.2Å; D207-S284 PolarHBondContact OD2-OG 3.36Å
208	N	91.9	Very high	80	Confident	14 Å²	14	29.9 Å²	29.9	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-73.3	-16.2	179.7	-73.1	-38.4	0	0	0	114.5	V96 T97 S98 N179 T180 L211 A212	V96-N208 HydrophobicContact CG1-CB 4.29Å; T97-N208 PolarHBondContact O-ND2 3.19Å; S98-N208 WeakPolarHBondContact CA-ND2 3.28Å; S98-N208 WeakPolarHBondContact OG-CB 3.4Å; S98-N208 PolarHBondContact OG-ND2 3.18Å; N179-N208 PolarHBondContact OD1-ND2 3.35Å; N179-N208 PolarHBondContact OD1-OD1 2.96Å; N179-N208 VanDerWaalsContact OD1-OD1 3.08Å; T180-N208 PolarHBondContact N-OD1 3.11Å; T180-N208 VanDerWaalsContact N-OD1 3.09Å; T180-N208 PolarHBondContact OG1-OD1 3.28Å; N208-L211 WeakPolarHBondContact OD1-CD2 3.49Å; N208-A212 WeakPolarHBondContact O-CB 3.36Å; N208-A212 PolarHBondContact O-N 2.89Å; N208-A212 VanDerWaalsContact O-N 3.16Å
209	D	92.5	Very high	82.3	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-70.3	-50.5	173.3	-71.5	-41.4	0	0	0	108.9	K57 D207 A212 A213 K285 S288	K57-D209 WeakPolarHBondContact CD-OD1 3.17Å; K57-D209 WeakPolarHBondContact CE-OD1 3.38Å; K57-D209 IonicContact NZ-OD1 3.34Å; K57-D209 PolarHBondContact NZ-OD1 3.49Å; K57-D209 IonicContact NZ-OD2 3.18Å; D207-D209 VanDerWaalsContact C-N 3.27Å; D207-D209 PolarHBondContact O-N 3.39Å; D207-D209 WeakPolarHBondContact OD1-CB 3.47Å; D207-D209 PolarHBondContact OD1-N 3.16Å; D207-D209 VanDerWaalsContact OD1-N 3.11Å; D209-A212 PolarHBondContact O-N 3.46Å; D209-A213 PolarHBondContact O-N 2.72Å; D209-A213 VanDerWaalsContact O-N 3.11Å; D209-K285 WeakPolarHBondContact OD1-CG 3.46Å; D209-K285 IonicContact OD1-NZ 2.83Å; D209-K285 WeakPolarHBondContact OD2-CG 3.38Å; D209-K285 IonicContact OD2-NZ 3.5Å; D209-K285 PolarHBondContact OD2-NZ 3.1Å; D209-S288 VanDerWaalsContact C-OG 3.27Å
210	S	91	Very high	84.4	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-34.6	175	49	0	0	0	0	113.3	R206 D207 R214 S288	R206-S210 PolarHBondContact N-OG 3.41Å; D207-S210 PolarHBondContact N-OG 3.33Å; D207-S210 PolarHBondContact O-N 3.09Å; D207-S210 PolarHBondContact O-OG 3.45Å; D207-S210 PolarHBondContact OD1-N 3.03Å; D207-S210 PolarHBondContact OD1-OG 3.22Å; S210-R214 WeakPolarHBondContact O-CB 3.34Å; S210-R214 PolarHBondContact O-N 3.21Å; S210-S288 PolarHBondContact N-OG 3.15Å
211	L	93.6	Very high	86.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-49.4	171.5	178.4	61.9	0	0	0	111.6	V96 L148 F153 I178 T180 V205 D207 N208 R214 L215	V96-L211 HydrophobicContact CG1-CD2 3.99Å; V96-L211 HydrophobicContact CG1-CG 4.31Å; L148-L211 HydrophobicContact CB-CD1 4.41Å; L148-L211 HydrophobicContact CD1-CD1 4.34Å; F153-L211 HydrophobicContact CE2-CD1 3.44Å; F153-L211 VanDerWaalsContact CE2-CD1 3.44Å; F153-L211 HydrophobicContact CZ-CD1 3.42Å; F153-L211 VanDerWaalsContact CZ-CD1 3.42Å; I178-L211 HydrophobicContact CG2-CD2 4.16Å; T180-L211 HydrophobicContact CG2-CD2 4.01Å; V205-L211 HydrophobicContact CG1-CB 3.96Å; V205-L211 HydrophobicContact CG1-CD1 4.13Å; D207-L211 WeakPolarHBondContact O-CB 3.42Å; D207-L211 PolarHBondContact O-N 3.3Å; N208-L211 WeakPolarHBondContact OD1-CD2 3.49Å; L211-R214 PolarHBondContact O-N 3.4Å; L211-L215 HydrophobicContact CD1-CD1 3.91Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.18Å
212	A	96.3	Very high	88.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-41.7	-178.4	0	0	0	0	0	112	V55 K57 V96 N208 D209 L215 A216 L224	V55-A212 HydrophobicContact CG1-CB 4.28Å; K57-A212 HydrophobicContact CB-CB 3.73Å; K57-A212 HydrophobicContact CG-CB 3.82Å; V96-A212 HydrophobicContact CB-CB 4.07Å; V96-A212 HydrophobicContact CG1-CB 4.1Å; V96-A212 HydrophobicContact CG2-CB 3.97Å; N208-A212 WeakPolarHBondContact O-CB 3.36Å; N208-A212 PolarHBondContact O-N 2.89Å; N208-A212 VanDerWaalsContact O-N 3.16Å; D209-A212 PolarHBondContact O-N 3.46Å; A212-L215 PolarHBondContact O-N 2.91Å; A212-A216 WeakPolarHBondContact O-CB 3.5Å; A212-A216 PolarHBondContact O-N 3.49Å; A212-L224 HydrophobicContact CB-CD1 3.88Å
213	A	94.3	Very high	90.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-49.7	172.6	0	0	0	0	0	112.1	L203 D209 L215 A216 C217 L224 W291 T292	L203-A213 HydrophobicContact CD2-CB 3.71Å; D209-A213 PolarHBondContact O-N 2.72Å; D209-A213 VanDerWaalsContact O-N 3.11Å; A213-L215 PolarHBondContact O-N 3.31Å; A213-A216 PolarHBondContact O-N 3.15Å; A213-C217 PolarHBondContact O-N 3.41Å; A213-C217 VanDerWaalsContact O-N 3.15Å; A213-C217 PolarHBondContact O-SG 3.36Å; A213-L224 HydrophobicContact CB-CD2 4.42Å; A213-W291 HydrophobicContact CB-CE3 4.22Å; A213-T292 WeakPolarHBondContact CA-OG1 3.33Å; A213-T292 WeakPolarHBondContact CB-OG1 3.34Å
214	R	92.5	Very high	91.4	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-45.6	179	-137.5	76.2	-169.7	-84	-14.9	111.8	F153 L203 V205 S210 L211 C217 E218	F153-R214 HydrophobicContact CD1-CB 3.95Å; F153-R214 HydrophobicContact CD1-CG 3.56Å; F153-R214 HydrophobicContact CE1-CB 3.69Å; F153-R214 HydrophobicContact CE1-CG 3.84Å; F153-R214 HydrophobicContact CG-CG 4.38Å; F153-R214 HydrophobicContact CZ-CB 4.41Å; L203-R214 WeakPolarHBondContact O-CD 3.38Å; L203-R214 VanDerWaalsContact O-CZ 3.23Å; L203-R214 PolarHBondContact O-NE 3.42Å; L203-R214 PolarHBondContact O-NH1 3.26Å; V205-R214 HydrophobicContact CG2-CB 4.09Å; V205-R214 HydrophobicContact CG2-CG 4.16Å; S210-R214 WeakPolarHBondContact O-CB 3.34Å; S210-R214 PolarHBondContact O-N 3.21Å; L211-R214 PolarHBondContact O-N 3.4Å; R214-C217 PolarHBondContact O-N 2.67Å; R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 VanDerWaalsContact O-CG 3.25Å; R214-E218 WeakPolarHBondContact O-CG 3.43Å; R214-E218 PolarHBondContact O-N 2.92Å
215	L	94.5	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-47.4	176.6	-104.1	148.3	0	0	0	112.7	V96 L148 F153 W162 L166 I178 L211 A212 A213 C217 E218 L219	V96-L215 HydrophobicContact CG2-CD1 4.25Å; L148-L215 HydrophobicContact CD1-CD1 4.29Å; F153-L215 HydrophobicContact CZ-CG 4.4Å; W162-L215 HydrophobicContact CH2-CD2 4.21Å; W162-L215 HydrophobicContact CH2-CG 4.49Å; W162-L215 HydrophobicContact CZ3-CD2 3.79Å; W162-L215 HydrophobicContact CZ3-CG 4.48Å; L166-L215 HydrophobicContact CD2-CD2 3.38Å; I178-L215 HydrophobicContact CB-CD1 4.39Å; I178-L215 HydrophobicContact CD1-CD1 3.73Å; I178-L215 HydrophobicContact CD1-CD2 3.73Å; I178-L215 HydrophobicContact CD1-CG 4.4Å; I178-L215 HydrophobicContact CG2-CD1 3.78Å; L211-L215 HydrophobicContact CD1-CD1 3.91Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.18Å; A212-L215 PolarHBondContact O-N 2.91Å; A213-L215 PolarHBondContact O-N 3.31Å; L215-C217 VanDerWaalsContact C-N 3.31Å; L215-C217 PolarHBondContact O-N 3.05Å; L215-E218 PolarHBondContact O-N 3.34Å; L215-L219 HydrophobicContact CD2-CD1 3.69Å; L215-L219 HydrophobicContact CD2-CG 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.81Å
216	A	95.3	Very high	93	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-44.4	-179.1	0	0	0	0	0	111.5	V55 A212 A213 K220 S221 L224 T292 T297	V55-A216 HydrophobicContact CB-CB 4.22Å; V55-A216 HydrophobicContact CG2-CB 3.9Å; A212-A216 WeakPolarHBondContact O-CB 3.5Å; A212-A216 PolarHBondContact O-N 3.49Å; A213-A216 PolarHBondContact O-N 3.15Å; A216-K220 PolarHBondContact O-N 3.01Å; A216-S221 WeakPolarHBondContact O-CB 3.29Å; A216-S221 PolarHBondContact O-N 2.78Å; A216-S221 PolarHBondContact O-OG 2.99Å; A216-L224 HydrophobicContact CB-CB 4.16Å; A216-T292 HydrophobicContact CB-CG2 4.38Å; A216-T297 HydrophobicContact CB-CG2 4.15Å
217	C	92.5	Very high	93.7	Very high	23 Å²	23	14.9 Å²	14.9	16%	0.155	7%	0.072	C	C	.	.	H	α-helix	trans	-70.9	-45.1	-179.6	-60.1	0	0	0	0	112.2	A213 R214 L215 L219 K220 W291 Q295	A213-C217 PolarHBondContact O-N 3.41Å; A213-C217 VanDerWaalsContact O-N 3.15Å; A213-C217 PolarHBondContact O-SG 3.36Å; R214-C217 PolarHBondContact O-N 2.67Å; L215-C217 VanDerWaalsContact C-N 3.31Å; L215-C217 PolarHBondContact O-N 3.05Å; C217-L219 VanDerWaalsContact C-N 3.29Å; C217-L219 PolarHBondContact O-N 2.68Å; C217-K220 PolarHBondContact O-N 3.36Å; C217-K220 VanDerWaalsContact O-N 3.14Å; C217-W291 HydrophobicContact CB-CH2 3.97Å; C217-W291 HydrophobicContact CB-CZ3 3.82Å; C217-W291 WeakPolarHBondContact SG-CZ3 3.29Å; C217-Q295 HydrophobicContact CB-CB 4.07Å; C217-Q295 HydrophobicContact CB-CG 4.28Å; C217-Q295 WeakPolarHBondContact SG-CB 3.43Å
218	E	90.8	Very high	94.1	Very high	37 Å²	37	14.2 Å²	14.2	17%	0.173	7%	0.069	C	C	.	.	H	α-helix	trans	-58.9	-42.3	178.1	-74.2	-68.5	159.6	0	0	111.3	R159 W162 R163 R214 L215 K220	R159-E218 IonicContact NE-OE1 2.91Å; W162-E218 HydrophobicContact CH2-CB 3.94Å; W162-E218 HydrophobicContact CH2-CG 4.24Å; W162-E218 HydrophobicContact CZ2-CG 4.38Å; R163-E218 IonicContact CZ-OE2 3.18Å; R163-E218 PolarHBondContact NH1-O 2.9Å; R163-E218 IonicContact NH1-OE2 2.62Å; R163-E218 PolarHBondContact NH1-OE2 3.16Å; R163-E218 PolarHBondContact NH2-O 3.19Å; R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 VanDerWaalsContact O-CG 3.25Å; R214-E218 WeakPolarHBondContact O-CG 3.43Å; R214-E218 PolarHBondContact O-N 2.92Å; L215-E218 PolarHBondContact O-N 3.34Å; E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 2.82Å
219	L	91.2	Very high	93.9	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.042	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.2	-178.7	-65.4	173.2	0	0	0	114.7	K53 I94 L166 L215 C217 S221	K53-L219 HydrophobicContact CD-CB 4.15Å; K53-L219 PolarHBondContact NZ-O 2.61Å; K53-L219 VanDerWaalsContact NZ-O 3.08Å; I94-L219 HydrophobicContact CD1-CD1 3.31Å; L166-L219 HydrophobicContact CD2-CD1 3.6Å; L166-L219 HydrophobicContact CD2-CD2 4.08Å; L166-L219 HydrophobicContact CD2-CG 4.33Å; L166-L219 HydrophobicContact CG-CD1 4.46Å; L215-L219 HydrophobicContact CD2-CD1 3.69Å; L215-L219 HydrophobicContact CD2-CG 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.81Å; C217-L219 VanDerWaalsContact C-N 3.29Å; C217-L219 PolarHBondContact O-N 2.68Å; L219-S221 PolarHBondContact O-N 2.93Å
220	K	91.8	Very high	93.7	Very high	143 Å²	143	18.2 Å²	18.2	62%	0.622	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	48.1	-170.7	-56.2	-175.5	177.9	-176.1	0	111.1	N39 A216 C217 E218	N39-K220 PolarHBondContact ND2-O 2.89Å; A216-K220 PolarHBondContact O-N 3.01Å; C217-K220 PolarHBondContact O-N 3.36Å; C217-K220 VanDerWaalsContact O-N 3.14Å; E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 2.82Å
221	S	94.5	Very high	93.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.104	C	C	.	.			trans	-66.9	148.6	175.9	-61.2	0	0	0	0	110.4	K53 V55 A216 L219 T297	K53-S221 WeakPolarHBondContact O-CB 3.44Å; V55-S221 WeakPolarHBondContact CG2-OG 3.47Å; A216-S221 WeakPolarHBondContact O-CB 3.29Å; A216-S221 PolarHBondContact O-N 2.78Å; A216-S221 PolarHBondContact O-OG 2.99Å; L219-S221 PolarHBondContact O-N 2.93Å; S221-T297 WeakPolarHBondContact O-CB 3.34Å; S221-T297 VanDerWaalsContact O-CG2 3.23Å; S221-T297 WeakPolarHBondContact O-CG2 3.43Å; S221-T297 PolarHBondContact O-OG1 3.09Å
222	D	95.1	Very high	93.5	Very high	45 Å²	45	20.7 Å²	20.7	24%	0.241	10%	0.104	C	C	.	.	S	Bend	trans	-77.7	-36	179.6	-55.2	-55.3	0	0	0	110.7	A51 K52 K53 S298	A51-D222 HydrophobicContact CB-CB 3.66Å; K52-D222 WeakPolarHBondContact CA-OD2 3.37Å; K52-D222 PolarHBondContact N-OD2 2.63Å; K53-D222 PolarHBondContact N-OD2 3.43Å; K53-D222 PolarHBondContact O-N 3.35Å; D222-S298 WeakPolarHBondContact O-CB 3.31Å; D222-S298 PolarHBondContact O-N 3.27Å
223	L	96.9	Very high	93.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.3	-174	179.7	58.9	0	0	0	112.4	L48 A51 K53 I54 V55 L225 S298 V300 M314	L48-L223 HydrophobicContact CD2-CD1 4.01Å; A51-L223 HydrophobicContact CB-CB 3.95Å; A51-L223 HydrophobicContact CB-CD2 4.46Å; K53-L223 PolarHBondContact O-N 2.81Å; I54-L223 WeakPolarHBondContact CA-O 3.45Å; I54-L223 HydrophobicContact CG1-CB 4.47Å; I54-L223 HydrophobicContact CG2-CB 4.34Å; I54-L223 HydrophobicContact CG2-CD2 4.34Å; I54-L223 HydrophobicContact CG2-CG 4.35Å; V55-L223 PolarHBondContact N-O 3.13Å; L223-L225 HydrophobicContact CD1-CD2 4.24Å; L223-L225 HydrophobicContact CD2-CD2 3.99Å; L223-L225 HydrophobicContact CD2-CG 4.12Å; L223-L225 HydrophobicContact CG-CD2 4.16Å; L223-L225 HydrophobicContact CG-CG 4.16Å; L223-S298 CarbonylContact C-O 3.55Å; L223-S298 WeakPolarHBondContact CA-O 3.14Å; L223-V300 HydrophobicContact CD1-CG2 4.14Å; L223-M314 HydrophobicContact CD2-CE 4.12Å; L223-M314 HydrophobicContact CD2-SD 3.55Å; L223-M314 VanDerWaalsContact CD2-SD 3.55Å
224	L	97.8	Very high	92.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.1	164.9	170.8	63.7	0	0	0	110.1	V55 A212 A213 A216 L226 T292 T297 S298 V299 V300	V55-L224 HydrophobicContact CB-CD1 3.88Å; V55-L224 HydrophobicContact CG1-CD1 3.68Å; V55-L224 CarbonylContact O-C 3.54Å; V55-L224 WeakPolarHBondContact O-CA 3.39Å; A212-L224 HydrophobicContact CB-CD1 3.88Å; A213-L224 HydrophobicContact CB-CD2 4.42Å; A216-L224 HydrophobicContact CB-CB 4.16Å; L224-L226 HydrophobicContact CD1-CD2 4.11Å; L224-L226 HydrophobicContact CD2-CD2 4.15Å; L224-L226 HydrophobicContact CD2-CG 4.29Å; L224-L226 HydrophobicContact CG-CD2 4.17Å; L224-L226 HydrophobicContact CG-CG 4.19Å; L224-T292 HydrophobicContact CB-CG2 4.33Å; L224-T292 HydrophobicContact CD2-CG2 3.91Å; L224-T297 HydrophobicContact CB-CG2 4.38Å; L224-S298 PolarHBondContact N-O 3.46Å; L224-V299 HydrophobicContact CB-CG1 4.46Å; L224-V299 HydrophobicContact CB-CG2 4.2Å; L224-V299 HydrophobicContact CD2-CG1 4.31Å; L224-V299 HydrophobicContact CD2-CG2 4.28Å; L224-V299 HydrophobicContact CG-CG1 4.31Å; L224-V299 VanDerWaalsContact O-CA 3.31Å; L224-V299 WeakPolarHBondContact O-CA 3.45Å; L224-V300 PolarHBondContact O-N 3.36Å
225	L	97.9	Very high	92.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.1	171.8	-66	178.2	0	0	0	110	I54 V55 I56 K57 L223 V300 I310 V313	I54-L225 HydrophobicContact CG2-CD1 4.29Å; I54-L225 HydrophobicContact CG2-CG 4.44Å; V55-L225 PolarHBondContact O-N 3Å; I56-L225 HydrophobicContact CG1-CB 4.34Å; I56-L225 HydrophobicContact CG1-CD1 4.11Å; K57-L225 PolarHBondContact N-O 3.24Å; L223-L225 HydrophobicContact CD1-CD2 4.24Å; L223-L225 HydrophobicContact CD2-CD2 3.99Å; L223-L225 HydrophobicContact CD2-CG 4.12Å; L223-L225 HydrophobicContact CG-CD2 4.16Å; L223-L225 HydrophobicContact CG-CG 4.16Å; L225-V300 HydrophobicContact CD2-CB 3.86Å; L225-V300 HydrophobicContact CD2-CG2 4.35Å; L225-I310 HydrophobicContact CD1-CB 4.38Å; L225-I310 HydrophobicContact CD1-CG1 4.12Å; L225-I310 HydrophobicContact CD1-CG2 3.85Å; L225-V313 HydrophobicContact CD2-CG1 3.91Å
226	L	97.1	Very high	91.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	96.8	173.6	-67.3	179.1	0	0	0	109.3	K57 L224 K285 A289 V299 V300 I301 I302	K57-L226 HydrophobicContact CB-CD2 3.85Å; K57-L226 HydrophobicContact CD-CD2 4.09Å; K57-L226 HydrophobicContact CG-CD2 4.23Å; L224-L226 HydrophobicContact CD1-CD2 4.11Å; L224-L226 HydrophobicContact CD2-CD2 4.15Å; L224-L226 HydrophobicContact CD2-CG 4.29Å; L224-L226 HydrophobicContact CG-CD2 4.17Å; L224-L226 HydrophobicContact CG-CG 4.19Å; L226-K285 HydrophobicContact CD1-CB 4.22Å; L226-A289 HydrophobicContact CD1-CB 4.11Å; L226-V299 HydrophobicContact CD1-CG1 4.15Å; L226-V299 HydrophobicContact CG-CG1 4.34Å; L226-V300 PolarHBondContact N-O 3.26Å; L226-I301 HydrophobicContact CB-CG1 3.91Å; L226-I301 HydrophobicContact CD1-CD1 4.39Å; L226-I301 HydrophobicContact CD1-CG1 3.99Å; L226-I301 WeakPolarHBondContact O-CA 3.49Å; L226-I302 PolarHBondContact O-N 3.41Å; L226-I302 VanDerWaalsContact O-N 3.1Å
227	I	95.8	Very high	90.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.9	-178.1	-48.8	-161.8	0	0	0	110.1	I56 K57 L58 G59 V62 I79 I302 I310	I56-I227 HydrophobicContact CG2-CD1 3.67Å; I56-I227 HydrophobicContact CG2-CG1 4.11Å; K57-I227 WeakPolarHBondContact O-CA 3.17Å; K57-I227 VanDerWaalsContact O-CB 3.32Å; K57-I227 WeakPolarHBondContact O-CB 3.23Å; K57-I227 PolarHBondContact O-N 3.14Å; L58-I227 HydrophobicContact CD2-CB 3.76Å; L58-I227 HydrophobicContact CD2-CD1 3.71Å; L58-I227 HydrophobicContact CD2-CG1 3.97Å; L58-I227 HydrophobicContact CD2-CG2 4.15Å; G59-I227 PolarHBondContact N-O 3.16Å; V62-I227 HydrophobicContact CG1-CG2 4.03Å; V62-I227 HydrophobicContact CG2-CG2 4.19Å; V62-I227 WeakPolarHBondContact CG2-O 3.5Å; I79-I227 HydrophobicContact CD1-CG2 4.46Å; I227-I302 CarbonylContact C-O 3.53Å; I227-I302 WeakPolarHBondContact CA-O 3.39Å; I227-I302 HydrophobicContact CB-CG1 4.38Å; I227-I302 HydrophobicContact CD1-CD1 4.02Å; I227-I302 HydrophobicContact CD1-CG1 4.44Å; I227-I302 HydrophobicContact CG1-CD1 3.96Å; I227-I302 HydrophobicContact CG1-CG1 3.88Å; I227-I302 HydrophobicContact CG2-CG1 4.43Å; I227-I310 HydrophobicContact CD1-CD1 3.82Å; I227-I310 HydrophobicContact CD1-CG1 3.78Å
228	S	92.3	Very high	90	Very high	4 Å²	4	28 Å²	28	3%	0.028	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	177.4	-179.4	-151.8	0	0	0	0	112.1	V62 V230 K285 I302 R303 G304	V62-S228 WeakPolarHBondContact CG2-O 3.48Å; S228-V230 VanDerWaalsContact C-N 3.33Å; S228-K285 WeakPolarHBondContact OG-CE 3.04Å; S228-I302 PolarHBondContact N-O 3.19Å; S228-R303 CarbonylContact O-C 3.54Å; S228-R303 WeakPolarHBondContact O-CA 3.3Å; S228-G304 PolarHBondContact O-N 3.03Å
229	D	88.9	Confident	89.3	Confident	77 Å²	77	30.2 Å²	30.2	41%	0.412	18%	0.182	S	C	.	.	S	Bend	trans	-81.1	-8.8	169.6	55.5	-22	0	0	0	114.2	A61 R303	A61-D229 HydrophobicContact CB-CB 3.92Å; D229-R303 PolarHBondContact O-NE 3.31Å; D229-R303 PolarHBondContact O-NH2 3.12Å
230	V	88.4	Confident	88.7	Confident	24 Å²	24	32 Å²	32	15%	0.145	19%	0.194	C	C	.	.	S	Bend	trans	-110.4	152.3	178.5	-106.2	0	0	0	0	111	S228 G232 P238 M282 R303	S228-V230 VanDerWaalsContact C-N 3.33Å; V230-G232 PolarHBondContact O-N 3.01Å; V230-P238 HydrophobicContact CG1-CB 4.39Å; V230-P238 HydrophobicContact CG1-CG 3.4Å; V230-P238 VanDerWaalsContact CG1-CG 3.4Å; V230-M282 HydrophobicContact CB-CE 4.23Å; V230-M282 HydrophobicContact CG2-CE 3.32Å; V230-R303 WeakPolarHBondContact O-CA 3.48Å; V230-R303 WeakPolarHBondContact O-CB 3.32Å; V230-R303 PolarHBondContact O-N 2.97Å
231	D	87.7	Confident	87.7	Confident	55 Å²	55	31.6 Å²	31.6	29%	0.294	21%	0.206	S	C	.	.	S	Bend	trans	-58.8	-31.3	-176.2	-66.7	-45.3	0	0	0	113.1	Y234 F245 R303 G320	D231-Y234 HydrophobicContact CB-CE2 4.26Å; D231-Y234 PolarHBondContact OD2-OH 3.1Å; D231-F245 HydrophobicContact CB-CD2 4.34Å; D231-F245 HydrophobicContact CB-CE2 3.86Å; D231-R303 VanDerWaalsContact OD1-CD 3.25Å; D231-R303 WeakPolarHBondContact OD1-CD 3.35Å; D231-R303 IonicContact OD1-CZ 2.93Å; D231-R303 VanDerWaalsContact OD1-CZ 3.23Å; D231-R303 IonicContact OD1-NE 3.86Å; D231-R303 PolarHBondContact OD1-NE 2.8Å; D231-R303 IonicContact OD1-NH1 2.63Å; D231-R303 PolarHBondContact OD1-NH1 2.67Å; D231-R303 IonicContact OD2-CZ 3.74Å; D231-R303 IonicContact OD2-NH1 3.72Å; D231-R303 PolarHBondContact OD2-NH1 2.72Å; D231-R303 IonicContact OD2-NH2 2.88Å; D231-G320 WeakPolarHBondContact O-CA 3.46Å
232	G	91.3	Very high	86.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	168.2	-148	-177.4	0	0	0	0	0	109.6	V230 M282 T321	V230-G232 PolarHBondContact O-N 3.01Å; G232-M282 WeakPolarHBondContact O-CE 3.44Å; G232-T321 WeakPolarHBondContact CA-OG1 3.2Å
233	V	89.2	Confident	86.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.2	174.2	-177.3	0	0	0	0	109.8	V246 Y249 M282 I286 I301 T321 F323	V233-V246 HydrophobicContact CB-CB 4.21Å; V233-V246 HydrophobicContact CG1-CB 4.34Å; V233-V246 HydrophobicContact CG1-CG2 4.36Å; V233-V246 PolarHBondContact O-N 3.34Å; V233-Y249 HydrophobicContact CG1-CD2 4.14Å; V233-Y249 HydrophobicContact CG1-CE2 4.36Å; V233-Y249 HydrophobicContact CG2-CD2 4.31Å; V233-M282 HydrophobicContact CG2-SD 4.48Å; V233-I286 HydrophobicContact CG1-CD1 3.84Å; V233-I286 HydrophobicContact CG2-CD1 3.92Å; V233-I286 HydrophobicContact CG2-CG1 3.82Å; V233-I301 HydrophobicContact CG2-CD1 3.97Å; V233-T321 HydrophobicContact CB-CG2 4.08Å; V233-T321 HydrophobicContact CG2-CG2 3.9Å; V233-T321 PolarHBondContact N-OG1 3Å; V233-F323 HydrophobicContact CG2-CE2 4.26Å; V233-F323 HydrophobicContact CG2-CZ 3.81Å
234	Y	85.5	Confident	85.5	Confident	48 Å²	48	41 Å²	41	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.6	169.4	-73.8	-103.9	0	0	0	109.2	D231 A236 P238 A243 R244 F245 V269	D231-Y234 HydrophobicContact CB-CE2 4.26Å; D231-Y234 PolarHBondContact OD2-OH 3.1Å; Y234-A236 WeakPolarHBondContact CB-O 3.45Å; Y234-A236 PolarHBondContact O-N 2.81Å; Y234-P238 HydrophobicContact CD2-CB 4.42Å; Y234-P238 HydrophobicContact CD2-CG 4Å; Y234-P238 HydrophobicContact CE2-CB 4.36Å; Y234-P238 HydrophobicContact CE2-CG 4.22Å; Y234-P238 HydrophobicContact CG-CG 4.42Å; Y234-A243 HydrophobicContact CD1-CB 4.46Å; Y234-R244 CarbonylContact C-O 3.55Å; Y234-R244 WeakPolarHBondContact CA-O 3.41Å; Y234-F245 HydrophobicContact CD1-CB 4.14Å; Y234-F245 HydrophobicContact CD2-CD2 4.18Å; Y234-F245 HydrophobicContact CE1-CB 3.74Å; Y234-F245 HydrophobicContact CE1-CD2 4.16Å; Y234-F245 HydrophobicContact CE1-CG 4.45Å; Y234-F245 AromaticContact CE2-CD2 3.69Å; Y234-F245 HydrophobicContact CE2-CD2 3.69Å; Y234-F245 HydrophobicContact CE2-CE2 4.37Å; Y234-F245 AromaticContact CZ-CD2 3.66Å; Y234-V269 WeakPolarHBondContact O-CG1 3.39Å
235	T	81.5	Confident	84.9	Confident	19 Å²	19	44.8 Å²	44.8	12%	0.117	28%	0.281	C	S	.	.	S	Bend	trans	-64.3	-24.8	175.7	56.4	0	0	0	0	113.1	R244 V246 S270	T235-R244 HydrophobicContact CG2-CB 4.28Å; T235-R244 PolarHBondContact N-O 2.88Å; T235-R244 PolarHBondContact OG1-N 3.26Å; T235-V246 HydrophobicContact CG2-CG2 3.98Å; T235-S270 PolarHBondContact O-N 3.38Å
236	A	79.3	Confident	84.4	Confident	16 Å²	16	45.3 Å²	45.3	13%	0.132	28%	0.284	C	S	.	.	S	Bend	trans	-144.7	167.4	173.4	0	0	0	0	0	109.5	Y234 A243 S270	Y234-A236 WeakPolarHBondContact CB-O 3.45Å; Y234-A236 PolarHBondContact O-N 2.81Å; A236-A243 HydrophobicContact CB-CB 4.08Å; A236-S270 WeakPolarHBondContact CA-OG 3.45Å
237	P	78.5	Confident	83.9	Confident	40 Å²	40	46.9 Å²	46.9	26%	0.26	30%	0.298	S	S	.	.	S	Bend	trans	-52.5	136.7	-178.3	-24.9	33.2	0	0	0	111.6	G239 S240	P237-G239 PolarHBondContact O-N 3.05Å; P237-S240 WeakPolarHBondContact CB-OG 3.43Å; P237-S240 VanDerWaalsContact O-CB 3.24Å; P237-S240 WeakPolarHBondContact O-CB 3.36Å; P237-S240 PolarHBondContact O-N 3.22Å; P237-S240 PolarHBondContact O-OG 3.09Å
238	P	77.7	Confident	83.6	Confident	71 Å²	71	51.7 Å²	51.7	46%	0.461	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	128.5	-176.5	-14.5	18.1	0	0	0	111.3	V230 Y234	V230-P238 HydrophobicContact CG1-CB 4.39Å; V230-P238 HydrophobicContact CG1-CG 3.4Å; V230-P238 VanDerWaalsContact CG1-CG 3.4Å; Y234-P238 HydrophobicContact CD2-CB 4.42Å; Y234-P238 HydrophobicContact CD2-CG 4Å; Y234-P238 HydrophobicContact CE2-CB 4.36Å; Y234-P238 HydrophobicContact CE2-CG 4.22Å; Y234-P238 HydrophobicContact CG-CG 4.42Å
239	G	76.5	Confident	83.4	Confident	83 Å²	83	51.5 Å²	51.5	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-8.2	-176.9	0	0	0	0	0	115.3	P237	P237-G239 PolarHBondContact O-N 3.05Å
240	S	78.4	Confident	83.1	Confident	44 Å²	44	51.1 Å²	51.1	31%	0.308	32%	0.315	S	S	.	.	S	Bend	trans	-71.6	148.6	173	-45.8	0	0	0	0	111.2	P237 G242 A243	P237-S240 WeakPolarHBondContact CB-OG 3.43Å; P237-S240 VanDerWaalsContact O-CB 3.24Å; P237-S240 WeakPolarHBondContact O-CB 3.36Å; P237-S240 PolarHBondContact O-N 3.22Å; P237-S240 PolarHBondContact O-OG 3.09Å; S240-G242 PolarHBondContact O-N 2.82Å; S240-A243 VanDerWaalsContact O-CB 3.29Å; S240-A243 WeakPolarHBondContact O-CB 3.3Å; S240-A243 PolarHBondContact O-N 2.95Å
241	P	72.1	Confident	82.8	Confident	135 Å²	135	50 Å²	50	88%	0.877	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	126.4	172.7	-21.6	31.9	0	0	0	110.9	A243	P241-A243 VanDerWaalsContact C-N 3.34Å
242	G	76.8	Confident	82.3	Confident	64 Å²	64	48.6 Å²	48.6	66%	0.66	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-0.6	-179.7	0	0	0	0	0	115.8	S240 R244	S240-G242 PolarHBondContact O-N 2.82Å; G242-R244 PolarHBondContact O-N 2.88Å
243	A	79.3	Confident	81.3	Confident	29 Å²	29	54.2 Å²	54.2	24%	0.24	33%	0.325	C	S	.	.			trans	-62.5	118.5	173.9	0	0	0	0	0	110.5	Y234 A236 S240 P241	Y234-A243 HydrophobicContact CD1-CB 4.46Å; A236-A243 HydrophobicContact CB-CB 4.08Å; S240-A243 VanDerWaalsContact O-CB 3.29Å; S240-A243 WeakPolarHBondContact O-CB 3.3Å; S240-A243 PolarHBondContact O-N 2.95Å; P241-A243 VanDerWaalsContact C-N 3.34Å
244	R	82.7	Confident	80	Confident	150 Å²	150	58.1 Å²	58.1	57%	0.566	35%	0.346	S	S	*	.			trans	-109.5	140.1	172.3	-65	-172.6	-148.5	117.2	2.5	109.9	Y234 T235 G242 E267	Y234-R244 CarbonylContact C-O 3.55Å; Y234-R244 WeakPolarHBondContact CA-O 3.41Å; T235-R244 HydrophobicContact CG2-CB 4.28Å; T235-R244 PolarHBondContact N-O 2.88Å; T235-R244 PolarHBondContact OG1-N 3.26Å; G242-R244 PolarHBondContact O-N 2.88Å; R244-E267 IonicContact NH1-OE1 3.95Å; R244-E267 PolarHBondContact NH1-OE1 3.31Å; R244-E267 IonicContact NH1-OE2 2.79Å; R244-E267 PolarHBondContact NH1-OE2 3.49Å; R244-E267 VanDerWaalsContact NH1-OE2 3.16Å
245	F	86.7	Confident	78.7	Confident	80 Å²	80	58 Å²	58	35%	0.351	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.7	171.3	-180	-107.9	0	0	0	110.2	D231 Y234 A247	D231-F245 HydrophobicContact CB-CD2 4.34Å; D231-F245 HydrophobicContact CB-CE2 3.86Å; Y234-F245 HydrophobicContact CD1-CB 4.14Å; Y234-F245 HydrophobicContact CD2-CD2 4.18Å; Y234-F245 HydrophobicContact CE1-CB 3.74Å; Y234-F245 HydrophobicContact CE1-CD2 4.16Å; Y234-F245 HydrophobicContact CE1-CG 4.45Å; Y234-F245 AromaticContact CE2-CD2 3.69Å; Y234-F245 HydrophobicContact CE2-CD2 3.69Å; Y234-F245 HydrophobicContact CE2-CE2 4.37Å; Y234-F245 AromaticContact CZ-CD2 3.66Å; F245-A247 HydrophobicContact CD1-CB 4.37Å; F245-A247 HydrophobicContact CE1-CB 4.02Å
246	V	86.3	Confident	77	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.067	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.1	179.8	178.6	0	0	0	0	107.8	V233 T235 E248 V264 T321	V233-V246 HydrophobicContact CB-CB 4.21Å; V233-V246 HydrophobicContact CG1-CB 4.34Å; V233-V246 HydrophobicContact CG1-CG2 4.36Å; V233-V246 PolarHBondContact O-N 3.34Å; T235-V246 HydrophobicContact CG2-CG2 3.98Å; V246-E248 WeakPolarHBondContact CG1-O 3.45Å; V246-V264 HydrophobicContact CB-CG1 4.44Å; V246-V264 HydrophobicContact CG1-CG1 3.59Å; V246-V264 HydrophobicContact CG1-CG2 4.3Å; V246-V264 HydrophobicContact CG2-CG1 3.93Å; V246-V264 HydrophobicContact CG2-CG2 4.35Å; V246-T321 HydrophobicContact CG1-CG2 4.31Å; V246-T321 VanDerWaalsContact O-CB 3.3Å; V246-T321 WeakPolarHBondContact O-CB 3.45Å; V246-T321 VanDerWaalsContact O-CG2 3.23Å; V246-T321 WeakPolarHBondContact O-CG2 3.29Å; V246-T321 PolarHBondContact O-OG1 2.96Å
247	A	87.9	Confident	75.3	Confident	34 Å²	34	71.7 Å²	71.7	28%	0.281	41%	0.405	S	S	.	.	S	Bend	trans	-74.1	-31.1	-179.5	0	0	0	0	0	112.6	R45 F245 T321 F322	R45-A247 PolarHBondContact NH2-O 2.97Å; F245-A247 HydrophobicContact CD1-CB 4.37Å; F245-A247 HydrophobicContact CE1-CB 4.02Å; A247-T321 WeakPolarHBondContact O-CA 3.46Å; A247-F322 PolarHBondContact O-N 3.27Å
248	E	88.3	Confident	73.8	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.4	175.9	-112.1	175.2	179.9	0	0	109.8	V246 F322 T324	V246-E248 WeakPolarHBondContact CG1-O 3.45Å; E248-F322 CarbonylContact C-O 3.4Å; E248-F322 VanDerWaalsContact CA-O 3.3Å; E248-F322 WeakPolarHBondContact CA-O 3.47Å; E248-F322 HydrophobicContact CG-CB 4.38Å; E248-F322 HydrophobicContact CG-CD1 4.17Å; E248-T324 HydrophobicContact CG-CG2 4.36Å
249	Y	87.5	Confident	72.1	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.8	176.2	-169	-60.5	0	0	0	108.6	V233 V251 P262 S263 V264 I286 V290 F322 F323 T324	V233-Y249 HydrophobicContact CG1-CD2 4.14Å; V233-Y249 HydrophobicContact CG1-CE2 4.36Å; V233-Y249 HydrophobicContact CG2-CD2 4.31Å; Y249-V251 HydrophobicContact CD1-CG2 3.92Å; Y249-V251 HydrophobicContact CE1-CG2 4.3Å; Y249-P262 WeakPolarHBondContact OH-CB 3.24Å; Y249-S263 PolarHBondContact OH-O 3.22Å; Y249-V264 HydrophobicContact CD2-CG2 3.47Å; Y249-V264 VanDerWaalsContact CD2-CG2 3.47Å; Y249-V264 HydrophobicContact CE2-CG2 3.21Å; Y249-V264 HydrophobicContact CG-CG2 4.33Å; Y249-I286 HydrophobicContact CE2-CG2 3.97Å; Y249-V290 HydrophobicContact CE1-CG2 4.04Å; Y249-F322 PolarHBondContact N-O 3.38Å; Y249-F323 AromaticContact CD1-CD1 3.71Å; Y249-F323 HydrophobicContact CD1-CD1 3.71Å; Y249-F323 AromaticContact CD1-CE1 3.72Å; Y249-F323 HydrophobicContact CD1-CE1 3.72Å; Y249-F323 HydrophobicContact CD2-CD1 4.47Å; Y249-F323 AromaticContact CD2-CE1 3.78Å; Y249-F323 HydrophobicContact CD2-CE1 3.78Å; Y249-F323 HydrophobicContact CD2-CZ 4.11Å; Y249-F323 HydrophobicContact CE1-CE1 4.31Å; Y249-F323 HydrophobicContact CE2-CE1 4.32Å; Y249-F323 AromaticContact CG-CD1 3.71Å; Y249-F323 HydrophobicContact CG-CD1 3.71Å; Y249-F323 AromaticContact CG-CE1 3.47Å; Y249-F323 HydrophobicContact CG-CE1 3.47Å; Y249-F323 VanDerWaalsContact CG-CE1 3.47Å; Y249-F323 HydrophobicContact CG-CG 4.5Å; Y249-F323 HydrophobicContact CG-CZ 4.08Å; Y249-F323 VanDerWaalsContact O-CA 3.29Å; Y249-F323 WeakPolarHBondContact O-CA 3.36Å; Y249-T324 PolarHBondContact O-N 3.16Å
250	E	83.8	Confident	70.2	Confident	70 Å²	70	75 Å²	75	33%	0.327	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.5	177.4	-165.6	170.6	-159	0	0	110.6	E326	E250-E326 HydrophobicContact CG-CB 3.95Å; E250-E326 HydrophobicContact CG-CG 4.24Å
251	V	82.7	Confident	68.6	Low	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.8	-174.2	178.6	0	0	0	0	110	Y249 V290 V293 R294 F323 T324 L325 E326	Y249-V251 HydrophobicContact CD1-CG2 3.92Å; Y249-V251 HydrophobicContact CE1-CG2 4.3Å; V251-V290 HydrophobicContact CG1-CB 4.25Å; V251-V290 HydrophobicContact CG1-CG1 3.8Å; V251-V290 HydrophobicContact CG1-CG2 4.36Å; V251-V290 HydrophobicContact CG2-CG2 4.09Å; V251-V293 HydrophobicContact CB-CB 4.48Å; V251-V293 HydrophobicContact CB-CG1 4.01Å; V251-V293 HydrophobicContact CG1-CG1 4.45Å; V251-V293 HydrophobicContact CG2-CB 4.21Å; V251-V293 HydrophobicContact CG2-CG1 4.08Å; V251-R294 HydrophobicContact CG1-CG 3.92Å; V251-F323 HydrophobicContact CG2-CB 4.31Å; V251-F323 HydrophobicContact CG2-CD1 3.84Å; V251-T324 WeakPolarHBondContact CB-O 3.26Å; V251-T324 PolarHBondContact N-O 2.99Å; V251-L325 HydrophobicContact CG1-CD1 4.48Å; V251-E326 WeakPolarHBondContact O-CB 3.24Å; V251-E326 PolarHBondContact O-N 3.1Å
252	T	76.4	Confident	67.7	Low	26 Å²	26	70 Å²	70	16%	0.16	36%	0.362	C	S	.	.			trans	-62.4	143.7	178.8	63	0	0	0	0	112.2	N254 D258 R294 E326	T252-N254 PolarHBondContact O-N 2.89Å; T252-N254 PolarHBondContact OG1-O 3.41Å; T252-D258 PolarHBondContact OG1-OD2 3.36Å; T252-R294 VanDerWaalsContact O-CZ 3.27Å; T252-R294 PolarHBondContact O-NE 3Å; T252-R294 PolarHBondContact O-NH2 3.04Å; T252-R294 PolarHBondContact OG1-NH2 3.21Å; T252-E326 WeakPolarHBondContact CA-OE2 3.38Å; T252-E326 VanDerWaalsContact CB-OE2 3.24Å; T252-E326 WeakPolarHBondContact CB-OE2 3.44Å; T252-E326 WeakPolarHBondContact CG2-OE2 3.24Å
253	K	69.9	Low	66.4	Low	119 Å²	119	68.8 Å²	68.8	52%	0.517	34%	0.344	S	S	.	.	S	Bend	trans	-66.9	-25.9	174.7	-86.8	-176.9	-178.2	177.6	0	113.1	P255 L325	K253-P255 WeakPolarHBondContact O-CD 3.5Å; K253-L325 HydrophobicContact CD-CD2 4.39Å; K253-L325 VanDerWaalsContact CE-CD2 3.48Å; K253-L325 HydrophobicContact CG-CD1 4.45Å; K253-L325 HydrophobicContact CG-CD2 3.96Å; K253-L325 HydrophobicContact CG-CG 4.17Å
254	N	62.5	Low	65.3	Low	81 Å²	81	67.8 Å²	67.8	43%	0.433	34%	0.335	S	S	.	.			trans	-87.5	115.9	-173.1	-157.3	2.6	0	0	0	111.1	T252 E256 Y257 R294	T252-N254 PolarHBondContact O-N 2.89Å; T252-N254 PolarHBondContact OG1-O 3.41Å; N254-E256 PolarHBondContact O-N 3.25Å; N254-E256 VanDerWaalsContact O-N 3.12Å; N254-Y257 HydrophobicContact CB-CD2 4.4Å; N254-Y257 PolarHBondContact O-N 3.42Å; N254-R294 PolarHBondContact O-NH2 3.12Å
255	P	57.3	Low	63.9	Low	47 Å²	47	66.4 Å²	66.4	31%	0.305	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	-175.1	-20.9	31.3	0	0	0	114.5	A200 K253 Y257	A200-P255 HydrophobicContact CB-CG 3.92Å; K253-P255 WeakPolarHBondContact O-CD 3.5Å; P255-Y257 VanDerWaalsContact C-N 3.26Å; P255-Y257 PolarHBondContact O-N 3.19Å
256	E	47.4	Very low	62.1	Low	155 Å²	155	66 Å²	66	72%	0.724	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.6	-173.6	-70.3	-173.3	156.1	0	0	114.4	N254	N254-E256 PolarHBondContact O-N 3.25Å; N254-E256 VanDerWaalsContact O-N 3.12Å
257	Y	41.8	Very low	60.2	Low	166 Å²	166	70 Å²	70	65%	0.651	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-28.8	-174.7	-86.3	-89.5	0	0	0	114.8	N254 P255	N254-Y257 HydrophobicContact CB-CD2 4.4Å; N254-Y257 PolarHBondContact O-N 3.42Å; P255-Y257 VanDerWaalsContact C-N 3.26Å; P255-Y257 PolarHBondContact O-N 3.19Å
258	D	48.1	Very low	58.6	Low	14 Å²	14	74.5 Å²	74.5	8%	0.075	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-12.2	-173.1	-82.8	-52	0	0	0	115.2	T252 H260 V290 R294	T252-D258 PolarHBondContact OG1-OD2 3.36Å; D258-H260 VanDerWaalsContact C-N 3.33Å; D258-H260 PolarHBondContact O-N 2.76Å; D258-V290 HydrophobicContact CB-CG1 4.2Å; D258-R294 IonicContact OD2-CZ 2.8Å; D258-R294 IonicContact OD2-NH2 3.39Å; D258-R294 PolarHBondContact OD2-NH2 2.79Å
259	T	41.4	Very low	57.4	Low	77 Å²	77	70.2 Å²	70.2	47%	0.472	37%	0.374	S	S	.	.	S	Bend	trans	-73.7	-23.8	-172.7	46.4	0	0	0	0	113.5
260	H	37.7	Very low	55.9	Low	172 Å²	172	73.2 Å²	73.2	80%	0.796	40%	0.395	S	S	*	.	S	Bend	trans	-109.4	-19.4	-176.3	-68.4	-53.1	0	0	0	114.9	D258	D258-H260 VanDerWaalsContact C-N 3.33Å; D258-H260 PolarHBondContact O-N 2.76Å
261	S	44	Very low	54.9	Low	57 Å²	57	72.9 Å²	72.9	40%	0.399	39%	0.392	S	S	.	.	S	Bend	trans	-164.1	105.1	172.9	-78.2	0	0	0	0	109.3	S263 L268	S261-S263 PolarHBondContact O-N 2.83Å; S261-L268 WeakPolarHBondContact OG-CD2 3.42Å
262	P	52.6	Low	53.7	Low	18 Å²	18	75.1 Å²	75.1	12%	0.117	42%	0.416	C	S	.	.			trans	-60.4	113	177	-21.1	35.1	0	0	0	108.2	Y249 V269 F271 I286	Y249-P262 WeakPolarHBondContact OH-CB 3.24Å; P262-V269 WeakPolarHBondContact O-CB 3.43Å; P262-V269 WeakPolarHBondContact O-CG2 3.34Å; P262-V269 PolarHBondContact O-N 3.12Å; P262-F271 HydrophobicContact CB-CE2 4.37Å; P262-F271 HydrophobicContact CB-CZ 3.98Å; P262-F271 HydrophobicContact CG-CE2 3.61Å; P262-F271 HydrophobicContact CG-CZ 3.6Å; P262-I286 HydrophobicContact CB-CG2 4.15Å
263	S	50.9	Low	52.4	Low	38 Å²	38	83.4 Å²	83.4	27%	0.266	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.7	174.2	63.5	0	0	0	0	108.7	Y249 S261 E267	Y249-S263 PolarHBondContact OH-O 3.22Å; S261-S263 PolarHBondContact O-N 2.83Å; S263-E267 CarbonylContact C-O 3.56Å; S263-E267 VanDerWaalsContact CA-O 3.29Å; S263-E267 WeakPolarHBondContact CA-O 3.38Å
264	V	55.7	Low	51.7	Low	9 Å²	9	80.5 Å²	80.5	6%	0.055	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.2	169.2	171.5	0	0	0	0	106.8	V246 Y249 G266 E267 V269	V246-V264 HydrophobicContact CB-CG1 4.44Å; V246-V264 HydrophobicContact CG1-CG1 3.59Å; V246-V264 HydrophobicContact CG1-CG2 4.3Å; V246-V264 HydrophobicContact CG2-CG1 3.93Å; V246-V264 HydrophobicContact CG2-CG2 4.35Å; Y249-V264 HydrophobicContact CD2-CG2 3.47Å; Y249-V264 VanDerWaalsContact CD2-CG2 3.47Å; Y249-V264 HydrophobicContact CE2-CG2 3.21Å; Y249-V264 HydrophobicContact CG-CG2 4.33Å; V264-G266 PolarHBondContact O-N 3.14Å; V264-E267 PolarHBondContact N-O 3.02Å; V264-E267 PolarHBondContact O-N 2.91Å; V264-V269 HydrophobicContact CB-CG2 4.09Å; V264-V269 HydrophobicContact CG2-CG2 3.44Å; V264-V269 VanDerWaalsContact CG2-CG2 3.44Å
265	N	52.6	Low	51.3	Low	121 Å²	121	78.7 Å²	78.7	65%	0.647	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	36.1	176.6	-56.3	-10.6	0	0	0	113.2
266	G	49.5	Very low	50.8	Low	71 Å²	71	81.7 Å²	81.7	73%	0.732	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-6.1	-177.7	0	0	0	0	0	116.7	V264	V264-G266 PolarHBondContact O-N 3.14Å
267	E	46.6	Very low	50.9	Low	95 Å²	95	75.7 Å²	75.7	44%	0.444	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	172.8	-76.7	-174.1	165.3	0	0	111.2	R244 S263 V264 V269	R244-E267 IonicContact NH1-OE1 3.95Å; R244-E267 PolarHBondContact NH1-OE1 3.31Å; R244-E267 IonicContact NH1-OE2 2.79Å; R244-E267 PolarHBondContact NH1-OE2 3.49Å; R244-E267 VanDerWaalsContact NH1-OE2 3.16Å; S263-E267 CarbonylContact C-O 3.56Å; S263-E267 VanDerWaalsContact CA-O 3.29Å; S263-E267 WeakPolarHBondContact CA-O 3.38Å; V264-E267 PolarHBondContact N-O 3.02Å; V264-E267 PolarHBondContact O-N 2.91Å; E267-V269 PolarHBondContact O-N 3.11Å
268	L	54.6	Low	51.4	Low	128 Å²	128	68.7 Å²	68.7	67%	0.67	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.5	175.8	-99.5	130.4	0	0	0	111.2	S261	S261-L268 WeakPolarHBondContact OG-CD2 3.42Å
269	V	62.5	Low	51.7	Low	11 Å²	11	72.8 Å²	72.8	7%	0.067	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-82.7	123.6	174.9	-176.8	0	0	0	0	110.4	Y234 P262 V264 E267 F271	Y234-V269 WeakPolarHBondContact O-CG1 3.39Å; P262-V269 WeakPolarHBondContact O-CB 3.43Å; P262-V269 WeakPolarHBondContact O-CG2 3.34Å; P262-V269 PolarHBondContact O-N 3.12Å; V264-V269 HydrophobicContact CB-CG2 4.09Å; V264-V269 HydrophobicContact CG2-CG2 3.44Å; V264-V269 VanDerWaalsContact CG2-CG2 3.44Å; E267-V269 PolarHBondContact O-N 3.11Å; V269-F271 HydrophobicContact CB-CE1 4.35Å; V269-F271 HydrophobicContact CB-CZ 4.04Å; V269-F271 HydrophobicContact CG1-CD1 4.24Å; V269-F271 HydrophobicContact CG1-CE1 3.54Å; V269-F271 HydrophobicContact CG1-CZ 3.74Å
270	S	55.8	Low	52.4	Low	62 Å²	62	69.5 Å²	69.5	43%	0.434	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-92.8	129.6	173	74.6	0	0	0	0	111.4	T235 A236	T235-S270 PolarHBondContact O-N 3.38Å; A236-S270 WeakPolarHBondContact CA-OG 3.45Å
271	F	63.6	Low	54.2	Low	63 Å²	63	62.2 Å²	62.2	28%	0.276	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-99.7	137.3	-179.6	-59.6	-63.7	0	0	0	111.8	P262 V269 M282 K283 I286	P262-F271 HydrophobicContact CB-CE2 4.37Å; P262-F271 HydrophobicContact CB-CZ 3.98Å; P262-F271 HydrophobicContact CG-CE2 3.61Å; P262-F271 HydrophobicContact CG-CZ 3.6Å; V269-F271 HydrophobicContact CB-CE1 4.35Å; V269-F271 HydrophobicContact CB-CZ 4.04Å; V269-F271 HydrophobicContact CG1-CD1 4.24Å; V269-F271 HydrophobicContact CG1-CE1 3.54Å; V269-F271 HydrophobicContact CG1-CZ 3.74Å; F271-M282 HydrophobicContact CD1-CB 4.28Å; F271-M282 HydrophobicContact CD1-CG 4.35Å; F271-M282 HydrophobicContact CE1-CG 4.35Å; F271-K283 HydrophobicContact CD1-CB 4.39Å; F271-K283 HydrophobicContact CD2-CB 4.13Å; F271-K283 HydrophobicContact CD2-CD 4.38Å; F271-K283 HydrophobicContact CD2-CG 4.25Å; F271-K283 HydrophobicContact CE2-CB 4.39Å; F271-K283 HydrophobicContact CE2-CG 4.28Å; F271-K283 HydrophobicContact CG-CB 4.13Å; F271-I286 HydrophobicContact CE1-CD1 3.46Å; F271-I286 VanDerWaalsContact CE1-CD1 3.46Å; F271-I286 HydrophobicContact CZ-CD1 3.89Å
272	G	56.6	Low	56.1	Low	48 Å²	48	61.6 Å²	61.6	50%	0.495	39%	0.389	S	S	.	.			trans	-81.1	176.9	168.5	0	0	0	0	0	112.2
273	E	50.4	Low	57.5	Low	199 Å²	199	67.3 Å²	67.3	93%	0.93	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-58.7	148.5	176	-73.5	-170.7	149.8	0	0	112.5
274	A	54.1	Low	59.1	Low	58 Å²	58	66.8 Å²	66.8	48%	0.479	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-62.4	146.8	173.7	0	0	0	0	0	110.6
275	S	53.6	Low	60.7	Low	43 Å²	43	67 Å²	67	30%	0.301	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-60.2	145.2	179.5	70	0	0	0	0	110.9	V277 G278	S275-V277 PolarHBondContact O-N 3.41Å; S275-G278 PolarHBondContact O-N 3.11Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.01Å
276	S	47	Very low	62.5	Low	110 Å²	110	61.3 Å²	61.3	77%	0.769	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.6	-173.9	57.1	0	0	0	0	115.2
277	V	49.3	Very low	64.2	Low	30 Å²	30	60.3 Å²	60.3	18%	0.182	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.9	-173.9	-72.4	0	0	0	0	115.5	L68 A102 S275	L68-V277 HydrophobicContact CD1-CG1 3.37Å; L68-V277 HydrophobicContact CD2-CB 4.1Å; L68-V277 HydrophobicContact CD2-CG1 3.21Å; L68-V277 HydrophobicContact CD2-CG2 4.19Å; L68-V277 HydrophobicContact CG-CG1 3.88Å; A102-V277 HydrophobicContact CB-CB 4.42Å; S275-V277 PolarHBondContact O-N 3.41Å
278	G	52.4	Low	66.3	Low	18 Å²	18	55.9 Å²	55.9	19%	0.186	34%	0.342	C	S	.	.			trans	-115	145.9	176.7	0	0	0	0	0	111.8	S275	S275-G278 PolarHBondContact O-N 3.11Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.01Å
279	T	53.8	Low	68.1	Low	100 Å²	100	49.8 Å²	49.8	61%	0.613	31%	0.31	S	S	*	.	S	Bend	trans	-81.1	-22.3	168.2	50.8	0	0	0	0	112.3
280	G	57.8	Low	69.4	Low	9 Å²	9	49.6 Å²	49.6	9%	0.093	31%	0.309	C	S	.	.			trans	-109.3	106.8	-178.1	0	0	0	0	0	113	K285	G280-K285 PolarHBondContact O-NZ 3Å
281	G	74.9	Confident	71	Confident	19 Å²	19	47.7 Å²	47.7	20%	0.196	29%	0.293	C	S	.	.			trans	-75.8	-171.2	172.8	0	0	0	0	0	113.3	K283 S284 K285	G281-K283 PolarHBondContact O-N 3.47Å; G281-S284 PolarHBondContact O-N 3.33Å; G281-S284 VanDerWaalsContact O-N 3.09Å; G281-K285 PolarHBondContact O-N 3.37Å
282	M	84.3	Confident	72.4	Confident	44 Å²	44	44.7 Å²	44.7	22%	0.217	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-33.5	175.7	-174.5	54.1	69.6	0	0	112.1	V230 G232 V233 F271 S284 K285 I286 I301	V230-M282 HydrophobicContact CB-CE 4.23Å; V230-M282 HydrophobicContact CG2-CE 3.32Å; G232-M282 WeakPolarHBondContact O-CE 3.44Å; V233-M282 HydrophobicContact CG2-SD 4.48Å; F271-M282 HydrophobicContact CD1-CB 4.28Å; F271-M282 HydrophobicContact CD1-CG 4.35Å; F271-M282 HydrophobicContact CE1-CG 4.35Å; M282-S284 VanDerWaalsContact C-N 3.32Å; M282-S284 PolarHBondContact O-N 3.47Å; M282-K285 PolarHBondContact O-N 2.83Å; M282-K285 HydrophobicContact SD-CB 4.27Å; M282-K285 HydrophobicContact SD-CD 4.4Å; M282-I286 HydrophobicContact CG-CD1 3.8Å; M282-I286 HydrophobicContact CG-CG1 4.37Å; M282-I286 PolarHBondContact O-N 3.21Å; M282-I286 HydrophobicContact SD-CD1 4.2Å; M282-I286 HydrophobicContact SD-CG1 4.21Å; M282-I301 HydrophobicContact SD-CD1 4.34Å
283	K	81.7	Confident	74	Confident	137 Å²	137	42.4 Å²	42.4	60%	0.596	26%	0.256	S	S	*	.	H	α-helix	trans	-55.3	-43.1	173.3	-174.2	176.6	-179.5	176.2	0	112.9	F271 G281 A287	F271-K283 HydrophobicContact CD1-CB 4.39Å; F271-K283 HydrophobicContact CD2-CB 4.13Å; F271-K283 HydrophobicContact CD2-CD 4.38Å; F271-K283 HydrophobicContact CD2-CG 4.25Å; F271-K283 HydrophobicContact CE2-CB 4.39Å; F271-K283 HydrophobicContact CE2-CG 4.28Å; F271-K283 HydrophobicContact CG-CB 4.13Å; G281-K283 PolarHBondContact O-N 3.47Å; K283-A287 WeakPolarHBondContact O-CB 3.32Å; K283-A287 PolarHBondContact O-N 2.79Å
284	S	83.3	Confident	75.8	Confident	27 Å²	27	35.5 Å²	35.5	19%	0.189	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-38	179.6	-168.1	0	0	0	0	111.9	D207 G281 M282 A287 S288	D207-S284 WeakPolarHBondContact OD2-CB 3.2Å; D207-S284 PolarHBondContact OD2-OG 3.36Å; G281-S284 PolarHBondContact O-N 3.33Å; G281-S284 VanDerWaalsContact O-N 3.09Å; M282-S284 VanDerWaalsContact C-N 3.32Å; M282-S284 PolarHBondContact O-N 3.47Å; S284-A287 PolarHBondContact O-N 3.47Å; S284-S288 VanDerWaalsContact O-CB 3.29Å; S284-S288 WeakPolarHBondContact O-CB 3.42Å; S284-S288 PolarHBondContact O-N 3.45Å; S284-S288 PolarHBondContact O-OG 3.3Å
285	K	90.6	Very high	77.4	Confident	13 Å²	13	36.7 Å²	36.7	6%	0.057	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-47.7	176.9	-71	168.4	-172.3	51	0	111.9	D209 L226 S228 G280 G281 M282 S288 A289 I301	D209-K285 WeakPolarHBondContact OD1-CG 3.46Å; D209-K285 IonicContact OD1-NZ 2.83Å; D209-K285 WeakPolarHBondContact OD2-CG 3.38Å; D209-K285 IonicContact OD2-NZ 3.5Å; D209-K285 PolarHBondContact OD2-NZ 3.1Å; L226-K285 HydrophobicContact CD1-CB 4.22Å; S228-K285 WeakPolarHBondContact OG-CE 3.04Å; G280-K285 PolarHBondContact O-NZ 3Å; G281-K285 PolarHBondContact O-N 3.37Å; M282-K285 PolarHBondContact O-N 2.83Å; M282-K285 HydrophobicContact SD-CB 4.27Å; M282-K285 HydrophobicContact SD-CD 4.4Å; K285-S288 PolarHBondContact O-N 3.27Å; K285-A289 VanDerWaalsContact O-CB 3.25Å; K285-A289 WeakPolarHBondContact O-CB 3.21Å; K285-A289 PolarHBondContact O-N 2.78Å; K285-I301 HydrophobicContact CB-CD1 3.98Å
286	I	89.1	Confident	79	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-45	177.9	-68.5	165.4	0	0	0	110.2	V233 Y249 P262 F271 M282 S288 A289 V290 I301 F323	V233-I286 HydrophobicContact CG1-CD1 3.84Å; V233-I286 HydrophobicContact CG2-CD1 3.92Å; V233-I286 HydrophobicContact CG2-CG1 3.82Å; Y249-I286 HydrophobicContact CE2-CG2 3.97Å; P262-I286 HydrophobicContact CB-CG2 4.15Å; F271-I286 HydrophobicContact CE1-CD1 3.46Å; F271-I286 VanDerWaalsContact CE1-CD1 3.46Å; F271-I286 HydrophobicContact CZ-CD1 3.89Å; M282-I286 HydrophobicContact CG-CD1 3.8Å; M282-I286 HydrophobicContact CG-CG1 4.37Å; M282-I286 PolarHBondContact O-N 3.21Å; M282-I286 HydrophobicContact SD-CD1 4.2Å; M282-I286 HydrophobicContact SD-CG1 4.21Å; I286-S288 VanDerWaalsContact C-N 3.31Å; I286-S288 PolarHBondContact O-N 3.12Å; I286-A289 PolarHBondContact O-N 2.8Å; I286-V290 HydrophobicContact CG2-CG2 4.02Å; I286-V290 VanDerWaalsContact O-CB 3.29Å; I286-V290 WeakPolarHBondContact O-CB 3.17Å; I286-V290 VanDerWaalsContact O-CG2 3.25Å; I286-V290 WeakPolarHBondContact O-CG2 3.37Å; I286-V290 PolarHBondContact O-N 2.9Å; I286-I301 HydrophobicContact CG1-CD1 4.36Å; I286-F323 HydrophobicContact CG1-CZ 4.31Å; I286-F323 HydrophobicContact CG2-CE1 4.46Å
287	A	86	Confident	81.2	Confident	50 Å²	50	31.2 Å²	31.2	41%	0.413	18%	0.184	S	C	.	.	H	α-helix	trans	-58.5	-43.7	177	0	0	0	0	0	112.2	K283 S284 W291	K283-A287 WeakPolarHBondContact O-CB 3.32Å; K283-A287 PolarHBondContact O-N 2.79Å; S284-A287 PolarHBondContact O-N 3.47Å; A287-W291 WeakPolarHBondContact O-CB 3.25Å; A287-W291 PolarHBondContact O-N 2.81Å
288	S	90.9	Very high	83.4	Confident	2 Å²	2	30 Å²	30	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-40.9	177.1	-59.5	0	0	0	0	112	D209 S210 S284 K285 I286 T292	D209-S288 VanDerWaalsContact C-OG 3.27Å; S210-S288 PolarHBondContact N-OG 3.15Å; S284-S288 VanDerWaalsContact O-CB 3.29Å; S284-S288 WeakPolarHBondContact O-CB 3.42Å; S284-S288 PolarHBondContact O-N 3.45Å; S284-S288 PolarHBondContact O-OG 3.3Å; K285-S288 PolarHBondContact O-N 3.27Å; I286-S288 VanDerWaalsContact C-N 3.31Å; I286-S288 PolarHBondContact O-N 3.12Å; S288-T292 WeakPolarHBondContact O-CB 3.29Å; S288-T292 PolarHBondContact O-N 2.63Å; S288-T292 PolarHBondContact O-OG1 3.37Å
289	A	92.7	Very high	85.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-49.7	177.4	0	0	0	0	0	112	L226 K285 I286 W291 T292 V293 V299 F323	L226-A289 HydrophobicContact CD1-CB 4.11Å; K285-A289 VanDerWaalsContact O-CB 3.25Å; K285-A289 WeakPolarHBondContact O-CB 3.21Å; K285-A289 PolarHBondContact O-N 2.78Å; I286-A289 PolarHBondContact O-N 2.8Å; A289-W291 VanDerWaalsContact C-N 3.33Å; A289-W291 PolarHBondContact O-N 3.03Å; A289-T292 PolarHBondContact O-N 3.23Å; A289-T292 VanDerWaalsContact O-N 3.15Å; A289-V293 WeakPolarHBondContact O-CG2 3.41Å; A289-V293 PolarHBondContact O-N 2.76Å; A289-V299 HydrophobicContact CB-CB 4.28Å; A289-V299 HydrophobicContact CB-CG1 3.65Å; A289-F323 HydrophobicContact CB-CD1 3.78Å; A289-F323 HydrophobicContact CB-CD2 4.13Å; A289-F323 HydrophobicContact CB-CE1 3.58Å; A289-F323 HydrophobicContact CB-CE2 3.97Å; A289-F323 HydrophobicContact CB-CG 4.06Å; A289-F323 HydrophobicContact CB-CZ 3.69Å
290	V	89.8	Confident	87.5	Confident	8 Å²	8	24.3 Å²	24.3	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-55.2	-48.5	175.9	162.3	0	0	0	0	110.7	Y249 V251 D258 I286 T292 R294 F323	Y249-V290 HydrophobicContact CE1-CG2 4.04Å; V251-V290 HydrophobicContact CG1-CB 4.25Å; V251-V290 HydrophobicContact CG1-CG1 3.8Å; V251-V290 HydrophobicContact CG1-CG2 4.36Å; V251-V290 HydrophobicContact CG2-CG2 4.09Å; D258-V290 HydrophobicContact CB-CG1 4.2Å; I286-V290 HydrophobicContact CG2-CG2 4.02Å; I286-V290 VanDerWaalsContact O-CB 3.29Å; I286-V290 WeakPolarHBondContact O-CB 3.17Å; I286-V290 VanDerWaalsContact O-CG2 3.25Å; I286-V290 WeakPolarHBondContact O-CG2 3.37Å; I286-V290 PolarHBondContact O-N 2.9Å; V290-T292 PolarHBondContact O-N 3.03Å; V290-R294 WeakPolarHBondContact O-CG 3.29Å; V290-R294 PolarHBondContact O-N 2.75Å; V290-F323 HydrophobicContact CG2-CE1 4.39Å
291	W	89.9	Confident	89.4	Confident	22 Å²	22	23.9 Å²	23.9	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177.8	-175.4	87.6	0	0	0	111.9	L203 A213 C217 A287 A289 R294 Q295	L203-W291 HydrophobicContact CB-CD2 3.45Å; L203-W291 VanDerWaalsContact CB-CD2 3.45Å; L203-W291 VanDerWaalsContact CB-CE2 3.47Å; L203-W291 HydrophobicContact CB-CE3 3.85Å; L203-W291 HydrophobicContact CB-CG 3.79Å; L203-W291 HydrophobicContact CB-CH2 4.28Å; L203-W291 HydrophobicContact CB-CZ2 3.92Å; L203-W291 HydrophobicContact CB-CZ3 4.23Å; L203-W291 HydrophobicContact CD1-CB 4.34Å; L203-W291 HydrophobicContact CD1-CG 4.26Å; L203-W291 HydrophobicContact CD2-CB 4.29Å; L203-W291 HydrophobicContact CD2-CD2 4.01Å; L203-W291 HydrophobicContact CD2-CE3 3.81Å; L203-W291 HydrophobicContact CD2-CG 4.21Å; L203-W291 HydrophobicContact CD2-CZ3 4.47Å; L203-W291 HydrophobicContact CG-CD2 4.25Å; L203-W291 HydrophobicContact CG-CE3 4.46Å; L203-W291 HydrophobicContact CG-CG 4.32Å; A213-W291 HydrophobicContact CB-CE3 4.22Å; C217-W291 HydrophobicContact CB-CH2 3.97Å; C217-W291 HydrophobicContact CB-CZ3 3.82Å; C217-W291 WeakPolarHBondContact SG-CZ3 3.29Å; A287-W291 WeakPolarHBondContact O-CB 3.25Å; A287-W291 PolarHBondContact O-N 2.81Å; A289-W291 VanDerWaalsContact C-N 3.33Å; A289-W291 PolarHBondContact O-N 3.03Å; W291-R294 WeakPolarHBondContact O-CB 3.25Å; W291-R294 PolarHBondContact O-N 2.81Å; W291-Q295 HydrophobicContact CD2-CG 4.1Å; W291-Q295 HydrophobicContact CE3-CG 4.12Å; W291-Q295 HydrophobicContact CH2-CG 3.82Å; W291-Q295 HydrophobicContact CZ2-CG 3.78Å; W291-Q295 HydrophobicContact CZ3-CG 4Å; W291-Q295 WeakPolarHBondContact O-CG 3.39Å; W291-Q295 PolarHBondContact O-N 2.96Å
292	T	92.5	Very high	90.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-178.9	-57.9	0	0	0	0	112.4	A213 A216 L224 S288 A289 V290 R294 Q295 G296 T297 V299	A213-T292 WeakPolarHBondContact CA-OG1 3.33Å; A213-T292 WeakPolarHBondContact CB-OG1 3.34Å; A216-T292 HydrophobicContact CB-CG2 4.38Å; L224-T292 HydrophobicContact CB-CG2 4.33Å; L224-T292 HydrophobicContact CD2-CG2 3.91Å; S288-T292 WeakPolarHBondContact O-CB 3.29Å; S288-T292 PolarHBondContact O-N 2.63Å; S288-T292 PolarHBondContact O-OG1 3.37Å; A289-T292 PolarHBondContact O-N 3.23Å; A289-T292 VanDerWaalsContact O-N 3.15Å; V290-T292 PolarHBondContact O-N 3.03Å; T292-R294 VanDerWaalsContact C-N 3.31Å; T292-R294 PolarHBondContact O-N 3.47Å; T292-Q295 PolarHBondContact O-N 2.91Å; T292-G296 PolarHBondContact O-N 3.4Å; T292-T297 HydrophobicContact CG2-CG2 3.78Å; T292-T297 PolarHBondContact O-N 2.9Å; T292-V299 HydrophobicContact CG2-CG2 3.53Å
293	V	90.7	Very high	90.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-40	176.6	168.9	0	0	0	0	111.3	L41 V251 A289 Q295 G296 T297 V299 F323 L325	L41-V293 HydrophobicContact CD1-CG1 4.2Å; L41-V293 HydrophobicContact CD2-CG1 4.16Å; V251-V293 HydrophobicContact CB-CB 4.48Å; V251-V293 HydrophobicContact CB-CG1 4.01Å; V251-V293 HydrophobicContact CG1-CG1 4.45Å; V251-V293 HydrophobicContact CG2-CB 4.21Å; V251-V293 HydrophobicContact CG2-CG1 4.08Å; A289-V293 WeakPolarHBondContact O-CG2 3.41Å; A289-V293 PolarHBondContact O-N 2.76Å; V293-Q295 PolarHBondContact O-N 2.98Å; V293-G296 PolarHBondContact O-N 3.35Å; V293-T297 WeakPolarHBondContact CA-O 3.29Å; V293-V299 HydrophobicContact CG2-CB 3.98Å; V293-V299 HydrophobicContact CG2-CG2 3.6Å; V293-F323 HydrophobicContact CG2-CB 3.56Å; V293-L325 HydrophobicContact CG1-CB 3.78Å; V293-L325 HydrophobicContact CG1-CD1 3.71Å; V293-L325 HydrophobicContact CG1-CG 4.38Å
294	R	86.7	Confident	91.3	Very high	54 Å²	54	18.1 Å²	18.1	20%	0.204	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-27.8	174.4	-73.9	174.8	174.5	149.2	6.9	113.6	V251 T252 N254 D258 V290 W291 T292 G296 L325	V251-R294 HydrophobicContact CG1-CG 3.92Å; T252-R294 VanDerWaalsContact O-CZ 3.27Å; T252-R294 PolarHBondContact O-NE 3Å; T252-R294 PolarHBondContact O-NH2 3.04Å; T252-R294 PolarHBondContact OG1-NH2 3.21Å; N254-R294 PolarHBondContact O-NH2 3.12Å; D258-R294 IonicContact OD2-CZ 2.8Å; D258-R294 IonicContact OD2-NH2 3.39Å; D258-R294 PolarHBondContact OD2-NH2 2.79Å; V290-R294 WeakPolarHBondContact O-CG 3.29Å; V290-R294 PolarHBondContact O-N 2.75Å; W291-R294 WeakPolarHBondContact O-CB 3.25Å; W291-R294 PolarHBondContact O-N 2.81Å; T292-R294 VanDerWaalsContact C-N 3.31Å; T292-R294 PolarHBondContact O-N 3.47Å; R294-G296 VanDerWaalsContact C-N 3.31Å; R294-L325 HydrophobicContact CG-CD1 4.07Å
295	Q	87.5	Confident	91.5	Very high	83 Å²	83	20.5 Å²	20.5	39%	0.388	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.3	175.1	-57.5	-52.7	-46	0	0	113.5	A200 C217 W291 T292 V293	A200-Q295 PolarHBondContact O-NE2 3.2Å; C217-Q295 HydrophobicContact CB-CB 4.07Å; C217-Q295 HydrophobicContact CB-CG 4.28Å; C217-Q295 WeakPolarHBondContact SG-CB 3.43Å; W291-Q295 HydrophobicContact CD2-CG 4.1Å; W291-Q295 HydrophobicContact CE3-CG 4.12Å; W291-Q295 HydrophobicContact CH2-CG 3.82Å; W291-Q295 HydrophobicContact CZ2-CG 3.78Å; W291-Q295 HydrophobicContact CZ3-CG 4Å; W291-Q295 WeakPolarHBondContact O-CG 3.39Å; W291-Q295 PolarHBondContact O-N 2.96Å; T292-Q295 PolarHBondContact O-N 2.91Å; V293-Q295 PolarHBondContact O-N 2.98Å
296	G	88.9	Confident	91.4	Very high	33 Å²	33	25.4 Å²	25.4	34%	0.34	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	17.9	175.2	0	0	0	0	0	115.5	L41 T292 V293 R294	L41-G296 VanDerWaalsContact CD1-C 3.48Å; T292-G296 PolarHBondContact O-N 3.4Å; V293-G296 PolarHBondContact O-N 3.35Å; R294-G296 VanDerWaalsContact C-N 3.31Å
297	T	92.6	Very high	91.2	Very high	5 Å²	5	31 Å²	31	3%	0.031	16%	0.16	C	C	.	.			trans	-108.7	131	172.3	-68	0	0	0	0	110.4	L41 A216 S221 L224 T292 V293	L41-T297 VanDerWaalsContact CD1-C 3.44Å; L41-T297 WeakPolarHBondContact CD1-O 3.43Å; A216-T297 HydrophobicContact CB-CG2 4.15Å; S221-T297 WeakPolarHBondContact O-CB 3.34Å; S221-T297 VanDerWaalsContact O-CG2 3.23Å; S221-T297 WeakPolarHBondContact O-CG2 3.43Å; S221-T297 PolarHBondContact O-OG1 3.09Å; L224-T297 HydrophobicContact CB-CG2 4.38Å; T292-T297 HydrophobicContact CG2-CG2 3.78Å; T292-T297 PolarHBondContact O-N 2.9Å; V293-T297 WeakPolarHBondContact CA-O 3.29Å
298	S	95.1	Very high	91.4	Very high	3 Å²	3	32 Å²	32	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	145.9	178.6	-66.8	0	0	0	0	111.4	A42 D222 L223 L224	A42-S298 WeakPolarHBondContact CB-OG 3.39Å; A42-S298 PolarHBondContact N-OG 2.85Å; D222-S298 WeakPolarHBondContact O-CB 3.31Å; D222-S298 PolarHBondContact O-N 3.27Å; L223-S298 CarbonylContact C-O 3.55Å; L223-S298 WeakPolarHBondContact CA-O 3.14Å; L224-S298 PolarHBondContact N-O 3.46Å
299	V	96.3	Very high	91.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.5	-178.2	-172	0	0	0	0	111.2	L224 L226 A289 T292 V293 F323	L224-V299 HydrophobicContact CB-CG1 4.46Å; L224-V299 HydrophobicContact CB-CG2 4.2Å; L224-V299 HydrophobicContact CD2-CG1 4.31Å; L224-V299 HydrophobicContact CD2-CG2 4.28Å; L224-V299 HydrophobicContact CG-CG1 4.31Å; L224-V299 VanDerWaalsContact O-CA 3.31Å; L224-V299 WeakPolarHBondContact O-CA 3.45Å; L226-V299 HydrophobicContact CD1-CG1 4.15Å; L226-V299 HydrophobicContact CG-CG1 4.34Å; A289-V299 HydrophobicContact CB-CB 4.28Å; A289-V299 HydrophobicContact CB-CG1 3.65Å; T292-V299 HydrophobicContact CG2-CG2 3.53Å; V293-V299 HydrophobicContact CG2-CB 3.98Å; V293-V299 HydrophobicContact CG2-CG2 3.6Å; V299-F323 HydrophobicContact CB-CB 4.21Å; V299-F323 HydrophobicContact CB-CD2 4.4Å; V299-F323 HydrophobicContact CB-CG 4.45Å; V299-F323 HydrophobicContact CG1-CD2 4.38Å; V299-F323 PolarHBondContact O-N 2.89Å
300	V	96.9	Very high	91.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.6	168.1	-168.9	0	0	0	0	110	L48 L223 L224 L225 L226 I302 V313 T321 F322	L48-V300 HydrophobicContact CD1-CG2 3.92Å; L223-V300 HydrophobicContact CD1-CG2 4.14Å; L224-V300 PolarHBondContact O-N 3.36Å; L225-V300 HydrophobicContact CD2-CB 3.86Å; L225-V300 HydrophobicContact CD2-CG2 4.35Å; L226-V300 PolarHBondContact N-O 3.26Å; V300-I302 HydrophobicContact CG1-CG2 3.61Å; V300-V313 HydrophobicContact CB-CG1 4.27Å; V300-V313 HydrophobicContact CG1-CG1 4.34Å; V300-V313 HydrophobicContact CG1-CG2 4.17Å; V300-V313 HydrophobicContact CG2-CG1 3.86Å; V300-T321 VanDerWaalsContact CA-O 3.29Å; V300-T321 WeakPolarHBondContact CA-O 3.35Å; V300-T321 WeakPolarHBondContact CG1-O 3.39Å; V300-F322 HydrophobicContact CG2-CD2 3.89Å
301	I	96	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.1	168.1	-61.8	175	0	0	0	108.5	L226 V233 M282 K285 I286 G320 T321 F323	L226-I301 HydrophobicContact CB-CG1 3.91Å; L226-I301 HydrophobicContact CD1-CD1 4.39Å; L226-I301 HydrophobicContact CD1-CG1 3.99Å; L226-I301 WeakPolarHBondContact O-CA 3.49Å; V233-I301 HydrophobicContact CG2-CD1 3.97Å; M282-I301 HydrophobicContact SD-CD1 4.34Å; K285-I301 HydrophobicContact CB-CD1 3.98Å; I286-I301 HydrophobicContact CG1-CD1 4.36Å; I301-G320 CarbonylContact O-C 3.52Å; I301-G320 WeakPolarHBondContact O-CA 3.45Å; I301-T321 PolarHBondContact N-O 3.29Å; I301-T321 PolarHBondContact O-N 3.47Å; I301-F323 HydrophobicContact CB-CE2 4.33Å; I301-F323 HydrophobicContact CD1-CE2 3.5Å; I301-F323 HydrophobicContact CD1-CZ 3.54Å; I301-F323 HydrophobicContact CG1-CE2 3.64Å; I301-F323 HydrophobicContact CG1-CZ 4.21Å
302	I	95.6	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.7	-176.5	58.5	178.1	0	0	0	112.9	L226 I227 S228 V300 C309 I310 V313 V319	L226-I302 PolarHBondContact O-N 3.41Å; L226-I302 VanDerWaalsContact O-N 3.1Å; I227-I302 CarbonylContact C-O 3.53Å; I227-I302 WeakPolarHBondContact CA-O 3.39Å; I227-I302 HydrophobicContact CB-CG1 4.38Å; I227-I302 HydrophobicContact CD1-CD1 4.02Å; I227-I302 HydrophobicContact CD1-CG1 4.44Å; I227-I302 HydrophobicContact CG1-CD1 3.96Å; I227-I302 HydrophobicContact CG1-CG1 3.88Å; I227-I302 HydrophobicContact CG2-CG1 4.43Å; S228-I302 PolarHBondContact N-O 3.19Å; V300-I302 HydrophobicContact CG1-CG2 3.61Å; I302-C309 HydrophobicContact CD1-CB 3.97Å; I302-C309 VanDerWaalsContact CD1-O 3.3Å; I302-C309 WeakPolarHBondContact CD1-O 3.26Å; I302-I310 HydrophobicContact CD1-CG1 4.35Å; I302-V313 HydrophobicContact CD1-CG2 4.47Å; I302-V313 HydrophobicContact CG2-CG2 3.61Å; I302-V319 HydrophobicContact CG2-CG1 4.22Å
303	R	94.3	Very high	92.1	Very high	75 Å²	75	31.9 Å²	31.9	28%	0.283	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.1	170.5	176	174.2	-89.1	158.3	-5.2	112.1	S228 D229 V230 D231 S305 R306 C309	S228-R303 CarbonylContact O-C 3.54Å; S228-R303 WeakPolarHBondContact O-CA 3.3Å; D229-R303 PolarHBondContact O-NE 3.31Å; D229-R303 PolarHBondContact O-NH2 3.12Å; V230-R303 WeakPolarHBondContact O-CA 3.48Å; V230-R303 WeakPolarHBondContact O-CB 3.32Å; V230-R303 PolarHBondContact O-N 2.97Å; D231-R303 VanDerWaalsContact OD1-CD 3.25Å; D231-R303 WeakPolarHBondContact OD1-CD 3.35Å; D231-R303 IonicContact OD1-CZ 2.93Å; D231-R303 VanDerWaalsContact OD1-CZ 3.23Å; D231-R303 IonicContact OD1-NE 3.86Å; D231-R303 PolarHBondContact OD1-NE 2.8Å; D231-R303 IonicContact OD1-NH1 2.63Å; D231-R303 PolarHBondContact OD1-NH1 2.67Å; D231-R303 IonicContact OD2-CZ 3.74Å; D231-R303 IonicContact OD2-NH1 3.72Å; D231-R303 PolarHBondContact OD2-NH1 2.72Å; D231-R303 IonicContact OD2-NH2 2.88Å; R303-S305 VanDerWaalsContact C-N 3.32Å; R303-S305 VanDerWaalsContact CD-OG 3.25Å; R303-S305 WeakPolarHBondContact CD-OG 3.39Å; R303-S305 VanDerWaalsContact CG-OG 3.27Å; R303-S305 WeakPolarHBondContact CG-OG 3.33Å; R303-S305 PolarHBondContact O-N 2.88Å; R303-R306 PolarHBondContact O-N 3Å; R303-C309 WeakPolarHBondContact O-CB 3.44Å
304	G	91.1	Very high	92.2	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.5	-179.4	0	0	0	0	0	116.3	R75 S228	R75-G304 WeakPolarHBondContact CD-O 3.45Å; R75-G304 VanDerWaalsContact CG-O 3.22Å; R75-G304 WeakPolarHBondContact CG-O 3.18Å; S228-G304 PolarHBondContact O-N 3.03Å
305	S	88.4	Confident	92.3	Very high	78 Å²	78	33.3 Å²	33.3	55%	0.545	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.5	173.5	65.2	0	0	0	0	113.6	R303	R303-S305 VanDerWaalsContact C-N 3.32Å; R303-S305 VanDerWaalsContact CD-OG 3.25Å; R303-S305 WeakPolarHBondContact CD-OG 3.39Å; R303-S305 VanDerWaalsContact CG-OG 3.27Å; R303-S305 WeakPolarHBondContact CG-OG 3.33Å; R303-S305 PolarHBondContact O-N 2.88Å
306	R	89.2	Confident	92.1	Very high	116 Å²	116	30.1 Å²	30.1	44%	0.438	16%	0.16	S	C	.	.	S	Bend	trans	-77.7	135.3	173.4	176	-179.3	-179.6	127.5	-0.2	109.3	R303 N308 C309 D312	R303-R306 PolarHBondContact O-N 3Å; R306-N308 PolarHBondContact O-N 3.3Å; R306-C309 HydrophobicContact CB-CB 4Å; R306-C309 HydrophobicContact CG-CB 4.41Å; R306-C309 WeakPolarHBondContact O-CB 3.39Å; R306-C309 PolarHBondContact O-N 3.44Å; R306-D312 IonicContact CZ-OD2 2.67Å; R306-D312 VanDerWaalsContact CZ-OD2 3.27Å; R306-D312 IonicContact NE-OD2 3.76Å; R306-D312 PolarHBondContact NE-OD2 2.67Å; R306-D312 IonicContact NH2-OD2 3.55Å; R306-D312 PolarHBondContact NH2-OD2 2.93Å
307	F	84.1	Confident	92.1	Very high	120 Å²	120	31.9 Å²	31.9	53%	0.526	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-46.3	-168.7	-160.9	-95.9	0	0	0	112.9	Q82	Q82-F307 PolarHBondContact NE2-O 3.49Å
308	N	90.2	Very high	91.8	Very high	69 Å²	69	37.1 Å²	37.1	37%	0.369	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	39.5	179.9	-64.6	-17.6	0	0	0	112.5	Q82 R306 I310 T311 D312	Q82-N308 VanDerWaalsContact OE1-CA 3.32Å; R306-N308 PolarHBondContact O-N 3.3Å; N308-I310 VanDerWaalsContact C-N 3.26Å; N308-I310 PolarHBondContact O-N 2.86Å; N308-T311 PolarHBondContact O-N 2.84Å; N308-D312 WeakPolarHBondContact CB-OD1 3.22Å; N308-D312 WeakPolarHBondContact O-CB 3.38Å; N308-D312 PolarHBondContact O-N 3.25Å
309	C	92.9	Very high	91.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-34.8	-171.6	67.6	0	0	0	0	114.4	Q82 I302 R303 R306 V313	Q82-C309 VanDerWaalsContact OE1-N 3.08Å; I302-C309 HydrophobicContact CD1-CB 3.97Å; I302-C309 VanDerWaalsContact CD1-O 3.3Å; I302-C309 WeakPolarHBondContact CD1-O 3.26Å; R303-C309 WeakPolarHBondContact O-CB 3.44Å; R306-C309 HydrophobicContact CB-CB 4Å; R306-C309 HydrophobicContact CG-CB 4.41Å; R306-C309 WeakPolarHBondContact O-CB 3.39Å; R306-C309 PolarHBondContact O-N 3.44Å; C309-V313 WeakPolarHBondContact O-CG2 3.49Å
310	I	96.2	Very high	91.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-83	-51.8	178.9	-65.1	171.4	0	0	0	109.6	I56 I79 Q82 I83 L86 L225 I227 I302 N308 D312 V313 M314	I56-I310 HydrophobicContact CG2-CD1 4.26Å; I79-I310 HydrophobicContact CG2-CD1 4.04Å; Q82-I310 HydrophobicContact CB-CB 4.08Å; Q82-I310 HydrophobicContact CB-CD1 4.22Å; I83-I310 HydrophobicContact CG1-CD1 3.96Å; L86-I310 HydrophobicContact CD1-CG2 3.49Å; L86-I310 VanDerWaalsContact CD1-CG2 3.49Å; L86-I310 HydrophobicContact CG-CG2 4.41Å; L225-I310 HydrophobicContact CD1-CB 4.38Å; L225-I310 HydrophobicContact CD1-CG1 4.12Å; L225-I310 HydrophobicContact CD1-CG2 3.85Å; I227-I310 HydrophobicContact CD1-CD1 3.82Å; I227-I310 HydrophobicContact CD1-CG1 3.78Å; I302-I310 HydrophobicContact CD1-CG1 4.35Å; N308-I310 VanDerWaalsContact C-N 3.26Å; N308-I310 PolarHBondContact O-N 2.86Å; I310-D312 VanDerWaalsContact C-N 3.32Å; I310-D312 PolarHBondContact O-N 3.39Å; I310-V313 WeakPolarHBondContact O-CB 3.19Å; I310-V313 PolarHBondContact O-N 3.1Å; I310-V313 VanDerWaalsContact O-N 3.12Å; I310-M314 HydrophobicContact CG2-CG 4.37Å; I310-M314 WeakPolarHBondContact O-CG 3.33Å; I310-M314 PolarHBondContact O-N 3.09Å
311	T	93.3	Very high	91.3	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-38.3	-176	-4.4	0	0	0	0	112.2	Q82 N308 V313 M314 N315	Q82-T311 PolarHBondContact OE1-OG1 2.8Å; N308-T311 PolarHBondContact O-N 2.84Å; T311-V313 VanDerWaalsContact C-N 3.32Å; T311-V313 PolarHBondContact O-N 3.33Å; T311-M314 PolarHBondContact O-N 3.44Å; T311-N315 WeakPolarHBondContact O-CB 3.27Å; T311-N315 VanDerWaalsContact O-CG 3.25Å; T311-N315 PolarHBondContact O-N 3.37Å; T311-N315 PolarHBondContact O-ND2 2.81Å
312	D	93.4	Very high	91.3	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-41.4	175.8	-71.2	-9.4	0	0	0	111.3	R306 N308 I310 N315 G316 M317 V319	R306-D312 IonicContact CZ-OD2 2.67Å; R306-D312 VanDerWaalsContact CZ-OD2 3.27Å; R306-D312 IonicContact NE-OD2 3.76Å; R306-D312 PolarHBondContact NE-OD2 2.67Å; R306-D312 IonicContact NH2-OD2 3.55Å; R306-D312 PolarHBondContact NH2-OD2 2.93Å; N308-D312 WeakPolarHBondContact CB-OD1 3.22Å; N308-D312 WeakPolarHBondContact O-CB 3.38Å; N308-D312 PolarHBondContact O-N 3.25Å; I310-D312 VanDerWaalsContact C-N 3.32Å; I310-D312 PolarHBondContact O-N 3.39Å; D312-N315 PolarHBondContact O-N 3Å; D312-G316 PolarHBondContact O-N 3.49Å; D312-M317 HydrophobicContact CB-CB 4.21Å; D312-M317 HydrophobicContact CB-CE 4.19Å; D312-M317 VanDerWaalsContact O-CB 3.22Å; D312-M317 WeakPolarHBondContact O-CB 3.27Å; D312-M317 PolarHBondContact O-N 3.35Å; D312-V319 HydrophobicContact CB-CB 4.34Å; D312-V319 HydrophobicContact CB-CG2 3.62Å
313	V	94.4	Very high	91.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-43.3	176.2	172.8	0	0	0	0	110.9	L48 L225 V300 I302 C309 I310 T311 N315 G316 V319	L48-V313 HydrophobicContact CD1-CG1 3.88Å; L225-V313 HydrophobicContact CD2-CG1 3.91Å; V300-V313 HydrophobicContact CB-CG1 4.27Å; V300-V313 HydrophobicContact CG1-CG1 4.34Å; V300-V313 HydrophobicContact CG1-CG2 4.17Å; V300-V313 HydrophobicContact CG2-CG1 3.86Å; I302-V313 HydrophobicContact CD1-CG2 4.47Å; I302-V313 HydrophobicContact CG2-CG2 3.61Å; C309-V313 WeakPolarHBondContact O-CG2 3.49Å; I310-V313 WeakPolarHBondContact O-CB 3.19Å; I310-V313 PolarHBondContact O-N 3.1Å; I310-V313 VanDerWaalsContact O-N 3.12Å; T311-V313 VanDerWaalsContact C-N 3.32Å; T311-V313 PolarHBondContact O-N 3.33Å; V313-N315 PolarHBondContact O-N 3.41Å; V313-G316 PolarHBondContact O-N 3.41Å; V313-V319 HydrophobicContact CG2-CB 4.13Å; V313-V319 HydrophobicContact CG2-CG1 4.35Å
314	M	93.6	Very high	90.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-29.1	178.4	-60.9	-41.9	-62.1	0	0	112.8	L48 N49 A51 I54 L86 L223 I310 T311 G316	L48-M314 WeakPolarHBondContact O-CE 3.22Å; N49-M314 WeakPolarHBondContact CA-O 3.42Å; N49-M314 VanDerWaalsContact CB-O 3.24Å; N49-M314 WeakPolarHBondContact CB-O 3.33Å; A51-M314 HydrophobicContact CB-CE 4.07Å; I54-M314 HydrophobicContact CD1-CE 3.69Å; I54-M314 HydrophobicContact CD1-SD 4.1Å; L86-M314 HydrophobicContact CD1-CG 4.13Å; L86-M314 HydrophobicContact CD2-CB 4.34Å; L86-M314 HydrophobicContact CD2-CG 3.71Å; L223-M314 HydrophobicContact CD2-CE 4.12Å; L223-M314 HydrophobicContact CD2-SD 3.55Å; L223-M314 VanDerWaalsContact CD2-SD 3.55Å; I310-M314 HydrophobicContact CG2-CG 4.37Å; I310-M314 WeakPolarHBondContact O-CG 3.33Å; I310-M314 PolarHBondContact O-N 3.09Å; T311-M314 PolarHBondContact O-N 3.44Å; M314-G316 PolarHBondContact O-N 3.27Å
315	N	88.5	Confident	90.4	Very high	83 Å²	83	36.8 Å²	36.8	44%	0.444	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8.3	176.2	-65.9	-24.1	0	0	0	113.2	T311 D312 V313 M317	T311-N315 WeakPolarHBondContact O-CB 3.27Å; T311-N315 VanDerWaalsContact O-CG 3.25Å; T311-N315 PolarHBondContact O-N 3.37Å; T311-N315 PolarHBondContact O-ND2 2.81Å; D312-N315 PolarHBondContact O-N 3Å; V313-N315 PolarHBondContact O-N 3.41Å; N315-M317 VanDerWaalsContact C-N 3.27Å; N315-M317 HydrophobicContact CB-CG 4.34Å; N315-M317 PolarHBondContact O-N 3.39Å
316	G	83.6	Confident	89.5	Confident	16 Å²	16	36.4 Å²	36.4	17%	0.165	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	15.7	179.1	0	0	0	0	0	114.7	R45 D312 V313 M314	R45-G316 WeakPolarHBondContact CB-O 3.25Å; R45-G316 VanDerWaalsContact O-CA 3.26Å; R45-G316 WeakPolarHBondContact O-CA 3.4Å; D312-G316 PolarHBondContact O-N 3.49Å; V313-G316 PolarHBondContact O-N 3.41Å; M314-G316 PolarHBondContact O-N 3.27Å
317	M	87.5	Confident	87.8	Confident	71 Å²	71	33.9 Å²	33.9	35%	0.35	18%	0.176	S	C	.	.			trans	-71.4	155.6	178.4	-59.8	-122.4	-77.1	0	0	111.6	R45 D312 N315 V319	R45-M317 PolarHBondContact NH1-O 3.07Å; R45-M317 VanDerWaalsContact NH1-O 3.1Å; D312-M317 HydrophobicContact CB-CB 4.21Å; D312-M317 HydrophobicContact CB-CE 4.19Å; D312-M317 VanDerWaalsContact O-CB 3.22Å; D312-M317 WeakPolarHBondContact O-CB 3.27Å; D312-M317 PolarHBondContact O-N 3.35Å; N315-M317 VanDerWaalsContact C-N 3.27Å; N315-M317 HydrophobicContact CB-CG 4.34Å; N315-M317 PolarHBondContact O-N 3.39Å; M317-V319 HydrophobicContact CB-CG2 4.17Å; M317-V319 PolarHBondContact O-N 3.3Å
318	D	87.6	Confident	85.7	Confident	114 Å²	114	36.4 Å²	36.4	61%	0.61	19%	0.187	S	C	*	.	S	Bend	trans	-77.4	72.5	179	-166	24.4	0	0	0	111.5	R45	R45-D318 IonicContact CZ-OD1 2.71Å; R45-D318 IonicContact NE-OD1 3.53Å; R45-D318 PolarHBondContact NE-OD1 2.93Å; R45-D318 IonicContact NH2-OD1 3.87Å; R45-D318 PolarHBondContact NH2-OD1 2.97Å
319	V	90.7	Very high	83.1	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.042	18%	0.184	C	C	.	.			trans	-119.9	127	179.4	-177.6	0	0	0	0	110	R45 I302 D312 V313 M317	R45-V319 PolarHBondContact NH1-O 3.47Å; I302-V319 HydrophobicContact CG2-CG1 4.22Å; D312-V319 HydrophobicContact CB-CB 4.34Å; D312-V319 HydrophobicContact CB-CG2 3.62Å; V313-V319 HydrophobicContact CG2-CB 4.13Å; V313-V319 HydrophobicContact CG2-CG1 4.35Å; M317-V319 HydrophobicContact CB-CG2 4.17Å; M317-V319 PolarHBondContact O-N 3.3Å
320	G	93.1	Very high	80.3	Confident	6 Å²	6	40 Å²	40	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	65.6	-166.3	-179.7	0	0	0	0	0	114.6	R45 D231 I301	R45-G320 PolarHBondContact NH2-O 3.28Å; D231-G320 WeakPolarHBondContact O-CA 3.46Å; I301-G320 CarbonylContact O-C 3.52Å; I301-G320 WeakPolarHBondContact O-CA 3.45Å
321	T	94.6	Very high	77.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.7	180	-56.1	0	0	0	0	109.7	G232 V233 V246 A247 V300 I301 F323	G232-T321 WeakPolarHBondContact CA-OG1 3.2Å; V233-T321 HydrophobicContact CB-CG2 4.08Å; V233-T321 HydrophobicContact CG2-CG2 3.9Å; V233-T321 PolarHBondContact N-OG1 3Å; V246-T321 HydrophobicContact CG1-CG2 4.31Å; V246-T321 VanDerWaalsContact O-CB 3.3Å; V246-T321 WeakPolarHBondContact O-CB 3.45Å; V246-T321 VanDerWaalsContact O-CG2 3.23Å; V246-T321 WeakPolarHBondContact O-CG2 3.29Å; V246-T321 PolarHBondContact O-OG1 2.96Å; A247-T321 WeakPolarHBondContact O-CA 3.46Å; V300-T321 VanDerWaalsContact CA-O 3.29Å; V300-T321 WeakPolarHBondContact CA-O 3.35Å; V300-T321 WeakPolarHBondContact CG1-O 3.39Å; I301-T321 PolarHBondContact N-O 3.29Å; I301-T321 PolarHBondContact O-N 3.47Å; T321-F323 HydrophobicContact CG2-CD2 4.21Å; T321-F323 HydrophobicContact CG2-CE2 3.8Å; T321-F323 HydrophobicContact CG2-CZ 4.34Å
322	F	94.6	Very high	74.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.2	172.3	177.3	-139.6	0	0	0	109.9	A42 R45 L48 A247 E248 Y249 V300 T324	A42-F322 HydrophobicContact CB-CZ 4.04Å; A42-F322 WeakPolarHBondContact O-CZ 3.19Å; R45-F322 HydrophobicContact CG-CB 4.45Å; R45-F322 HydrophobicContact CG-CD1 3.93Å; R45-F322 HydrophobicContact CG-CE1 4.5Å; R45-F322 HydrophobicContact CG-CG 4.34Å; L48-F322 HydrophobicContact CD1-CD2 4.29Å; L48-F322 HydrophobicContact CD1-CE2 4.28Å; L48-F322 HydrophobicContact CD2-CE2 3.87Å; L48-F322 HydrophobicContact CD2-CZ 4.33Å; L48-F322 HydrophobicContact CG-CE2 4.4Å; A247-F322 PolarHBondContact O-N 3.27Å; E248-F322 CarbonylContact C-O 3.4Å; E248-F322 VanDerWaalsContact CA-O 3.3Å; E248-F322 WeakPolarHBondContact CA-O 3.47Å; E248-F322 HydrophobicContact CG-CB 4.38Å; E248-F322 HydrophobicContact CG-CD1 4.17Å; Y249-F322 PolarHBondContact N-O 3.38Å; V300-F322 HydrophobicContact CG2-CD2 3.89Å; F322-T324 HydrophobicContact CD1-CG2 3.73Å; F322-T324 HydrophobicContact CE1-CG2 3.48Å; F322-T324 VanDerWaalsContact CE1-CG2 3.48Å; F322-T324 HydrophobicContact CG-CG2 4.47Å; F322-T324 HydrophobicContact CZ-CG2 4.03Å
323	F	92.9	Very high	72	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.5	178.2	-70.4	-112.7	0	0	0	109.9	V233 Y249 V251 I286 A289 V290 V293 V299 I301 T321	V233-F323 HydrophobicContact CG2-CE2 4.26Å; V233-F323 HydrophobicContact CG2-CZ 3.81Å; Y249-F323 AromaticContact CD1-CD1 3.71Å; Y249-F323 HydrophobicContact CD1-CD1 3.71Å; Y249-F323 AromaticContact CD1-CE1 3.72Å; Y249-F323 HydrophobicContact CD1-CE1 3.72Å; Y249-F323 HydrophobicContact CD2-CD1 4.47Å; Y249-F323 AromaticContact CD2-CE1 3.78Å; Y249-F323 HydrophobicContact CD2-CE1 3.78Å; Y249-F323 HydrophobicContact CD2-CZ 4.11Å; Y249-F323 HydrophobicContact CE1-CE1 4.31Å; Y249-F323 HydrophobicContact CE2-CE1 4.32Å; Y249-F323 AromaticContact CG-CD1 3.71Å; Y249-F323 HydrophobicContact CG-CD1 3.71Å; Y249-F323 AromaticContact CG-CE1 3.47Å; Y249-F323 HydrophobicContact CG-CE1 3.47Å; Y249-F323 VanDerWaalsContact CG-CE1 3.47Å; Y249-F323 HydrophobicContact CG-CG 4.5Å; Y249-F323 HydrophobicContact CG-CZ 4.08Å; Y249-F323 VanDerWaalsContact O-CA 3.29Å; Y249-F323 WeakPolarHBondContact O-CA 3.36Å; V251-F323 HydrophobicContact CG2-CB 4.31Å; V251-F323 HydrophobicContact CG2-CD1 3.84Å; I286-F323 HydrophobicContact CG1-CZ 4.31Å; I286-F323 HydrophobicContact CG2-CE1 4.46Å; A289-F323 HydrophobicContact CB-CD1 3.78Å; A289-F323 HydrophobicContact CB-CD2 4.13Å; A289-F323 HydrophobicContact CB-CE1 3.58Å; A289-F323 HydrophobicContact CB-CE2 3.97Å; A289-F323 HydrophobicContact CB-CG 4.06Å; A289-F323 HydrophobicContact CB-CZ 3.69Å; V290-F323 HydrophobicContact CG2-CE1 4.39Å; V293-F323 HydrophobicContact CG2-CB 3.56Å; V299-F323 HydrophobicContact CB-CB 4.21Å; V299-F323 HydrophobicContact CB-CD2 4.4Å; V299-F323 HydrophobicContact CB-CG 4.45Å; V299-F323 HydrophobicContact CG1-CD2 4.38Å; V299-F323 PolarHBondContact O-N 2.89Å; I301-F323 HydrophobicContact CB-CE2 4.33Å; I301-F323 HydrophobicContact CD1-CE2 3.5Å; I301-F323 HydrophobicContact CD1-CZ 3.54Å; I301-F323 HydrophobicContact CG1-CE2 3.64Å; I301-F323 HydrophobicContact CG1-CZ 4.21Å; T321-F323 HydrophobicContact CG2-CD2 4.21Å; T321-F323 HydrophobicContact CG2-CE2 3.8Å; T321-F323 HydrophobicContact CG2-CZ 4.34Å
324	T	86.9	Confident	69.2	Low	20 Å²	20	56.6 Å²	56.6	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.2	177.9	53.8	0	0	0	0	109.3	E248 Y249 V251 F322	E248-T324 HydrophobicContact CG-CG2 4.36Å; Y249-T324 PolarHBondContact O-N 3.16Å; V251-T324 WeakPolarHBondContact CB-O 3.26Å; V251-T324 PolarHBondContact N-O 2.99Å; F322-T324 HydrophobicContact CD1-CG2 3.73Å; F322-T324 HydrophobicContact CE1-CG2 3.48Å; F322-T324 VanDerWaalsContact CE1-CG2 3.48Å; F322-T324 HydrophobicContact CG-CG2 4.47Å; F322-T324 HydrophobicContact CZ-CG2 4.03Å
325	L	83.4	Confident	66.8	Low	42 Å²	42	61.2 Å²	61.2	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.2	171.9	-164.3	82.6	0	0	0	107.6	L41 V251 K253 V293 R294 E327	L41-L325 HydrophobicContact CD2-CB 3.59Å; V251-L325 HydrophobicContact CG1-CD1 4.48Å; K253-L325 HydrophobicContact CD-CD2 4.39Å; K253-L325 VanDerWaalsContact CE-CD2 3.48Å; K253-L325 HydrophobicContact CG-CD1 4.45Å; K253-L325 HydrophobicContact CG-CD2 3.96Å; K253-L325 HydrophobicContact CG-CG 4.17Å; V293-L325 HydrophobicContact CG1-CB 3.78Å; V293-L325 HydrophobicContact CG1-CD1 3.71Å; V293-L325 HydrophobicContact CG1-CG 4.38Å; R294-L325 HydrophobicContact CG-CD1 4.07Å; L325-E327 PolarHBondContact O-N 3.22Å
326	E	68.4	Low	65	Low	70 Å²	70	61.2 Å²	61.2	33%	0.327	32%	0.318	S	S	.	.			trans	-53.6	107.6	166.4	-163.7	-172.7	-143.4	0	0	105.9	E250 V251 T252	E250-E326 HydrophobicContact CG-CB 3.95Å; E250-E326 HydrophobicContact CG-CG 4.24Å; V251-E326 WeakPolarHBondContact O-CB 3.24Å; V251-E326 PolarHBondContact O-N 3.1Å; T252-E326 WeakPolarHBondContact CA-OE2 3.38Å; T252-E326 VanDerWaalsContact CB-OE2 3.24Å; T252-E326 WeakPolarHBondContact CB-OE2 3.44Å; T252-E326 WeakPolarHBondContact CG2-OE2 3.24Å
327	E	53.9	Low	64	Low	62 Å²	62	64.4 Å²	64.4	29%	0.29	33%	0.334	S	S	.	.			trans	-60	147.2	164.6	-61.2	-151.3	142.1	0	0	105.7	R43 L325 N329 Q334	R43-E327 IonicContact CZ-OE1 3.82Å; R43-E327 IonicContact NE-OE1 2.91Å; R43-E327 PolarHBondContact NE-OE1 3.45Å; R43-E327 IonicContact NH1-OE1 3.81Å; R43-E327 IonicContact NH2-OE1 3.29Å; R43-E327 PolarHBondContact NH2-OE1 2.96Å; R43-E327 IonicContact NH2-OE2 2.91Å; L325-E327 PolarHBondContact O-N 3.22Å; E327-N329 PolarHBondContact O-N 3.34Å; E327-Q334 PolarHBondContact OE2-NE2 2.89Å
328	K	41	Very low	63.4	Low	173 Å²	173	67 Å²	67	75%	0.752	34%	0.34	S	S	*	.			trans	-64.8	88.7	166.8	-129.6	-170.3	-175.2	-172.3	0	104.7	D330	K328-D330 WeakPolarHBondContact O-CB 3.34Å
329	N	33.9	Very low	63	Low	57 Å²	57	64.8 Å²	64.8	31%	0.305	33%	0.326	S	S	.	.			trans	-69.6	111.9	157.6	-97.8	-7.3	0	0	0	100.8	E327 A331 Q334	E327-N329 PolarHBondContact O-N 3.34Å; N329-A331 VanDerWaalsContact CB-CA 3.42Å; N329-A331 HydrophobicContact CB-CB 3.48Å; N329-A331 VanDerWaalsContact CB-CB 3.48Å; N329-A331 PolarHBondContact O-N 3Å; N329-Q334 WeakPolarHBondContact OD1-CB 3.35Å; N329-Q334 VanDerWaalsContact OD1-CD 3.23Å; N329-Q334 PolarHBondContact OD1-OE1 3.32Å
330	D	34.9	Very low	62.5	Low	87 Å²	87	67.8 Å²	67.8	47%	0.465	34%	0.34	S	S	.	.			cis	32.9	28.6	33.5	-70	-25.5	0	0	0	109.6	K328 E332 N333 Q334	K328-D330 WeakPolarHBondContact O-CB 3.34Å; D330-E332 VanDerWaalsContact C-N 3.31Å; D330-N333 HydrophobicContact CB-CB 3.48Å; D330-N333 VanDerWaalsContact CB-CB 3.48Å; D330-N333 CarbonylContact O-C 3.58Å; D330-N333 VanDerWaalsContact O-C 3.26Å; D330-N333 PolarHBondContact O-N 3.04Å; D330-N333 VanDerWaalsContact O-N 3.16Å; D330-N333 WeakPolarHBondContact OD1-CB 3.1Å; D330-N333 PolarHBondContact OD1-ND2 2.87Å; D330-Q334 HydrophobicContact CB-CG 4.16Å; D330-Q334 VanDerWaalsContact O-CA 3.26Å; D330-Q334 WeakPolarHBondContact O-CA 3.49Å; D330-Q334 WeakPolarHBondContact O-CB 3.39Å; D330-Q334 PolarHBondContact O-N 3.19Å
331	A	35.2	Very low	62.1	Low	49 Å²	49	70.6 Å²	70.6	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-75.4	-38.2	-178.2	0	0	0	0	0	107.4	N329 L335	N329-A331 VanDerWaalsContact CB-CA 3.42Å; N329-A331 HydrophobicContact CB-CB 3.48Å; N329-A331 VanDerWaalsContact CB-CB 3.48Å; N329-A331 PolarHBondContact O-N 3Å; A331-L335 WeakPolarHBondContact O-CB 2.99Å; A331-L335 PolarHBondContact O-N 3.44Å; A331-L335 VanDerWaalsContact O-N 3.15Å
332	E	36.6	Very low	61.9	Low	167 Å²	167	71 Å²	71	78%	0.78	36%	0.358	S	S	*	.	H	α-helix	trans	-61.6	-49.7	158.7	-71.9	176.7	161.3	0	0	109.9	D330 Q334 D336	D330-E332 VanDerWaalsContact C-N 3.31Å; E332-Q334 PolarHBondContact O-N 3.37Å; E332-D336 VanDerWaalsContact O-CA 3.25Å; E332-D336 WeakPolarHBondContact O-CA 3.26Å; E332-D336 WeakPolarHBondContact O-CB 3.18Å; E332-D336 PolarHBondContact O-N 3.41Å
333	N	35.9	Very low	61.7	Low	89 Å²	89	73.8 Å²	73.8	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-75	-11.4	-179.3	-82.7	-25.8	0	0	0	117.9	D330 T337	D330-N333 HydrophobicContact CB-CB 3.48Å; D330-N333 VanDerWaalsContact CB-CB 3.48Å; D330-N333 CarbonylContact O-C 3.58Å; D330-N333 VanDerWaalsContact O-C 3.26Å; D330-N333 PolarHBondContact O-N 3.04Å; D330-N333 VanDerWaalsContact O-N 3.16Å; D330-N333 WeakPolarHBondContact OD1-CB 3.1Å; D330-N333 PolarHBondContact OD1-ND2 2.87Å; N333-T337 WeakPolarHBondContact O-CA 3.42Å; N333-T337 WeakPolarHBondContact O-CB 3.46Å; N333-T337 WeakPolarHBondContact O-CG2 3.32Å; N333-T337 PolarHBondContact O-N 2.9Å; N333-T337 PolarHBondContact O-OG1 3.42Å
334	Q	35.8	Very low	61.6	Low	75 Å²	75	78.2 Å²	78.2	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-109.6	-39.4	-175.7	-85.4	-160.4	15.9	0	0	110.8	E327 N329 D330 E332 D336 T337 R338	E327-Q334 PolarHBondContact OE2-NE2 2.89Å; N329-Q334 WeakPolarHBondContact OD1-CB 3.35Å; N329-Q334 VanDerWaalsContact OD1-CD 3.23Å; N329-Q334 PolarHBondContact OD1-OE1 3.32Å; D330-Q334 HydrophobicContact CB-CG 4.16Å; D330-Q334 VanDerWaalsContact O-CA 3.26Å; D330-Q334 WeakPolarHBondContact O-CA 3.49Å; D330-Q334 WeakPolarHBondContact O-CB 3.39Å; D330-Q334 PolarHBondContact O-N 3.19Å; E332-Q334 PolarHBondContact O-N 3.37Å; Q334-D336 VanDerWaalsContact C-N 3.32Å; Q334-T337 VanDerWaalsContact CA-OG1 3.26Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.24Å; Q334-R338 VanDerWaalsContact O-CB 3.25Å; Q334-R338 WeakPolarHBondContact O-CB 3.21Å; Q334-R338 PolarHBondContact O-N 3.37Å
335	L	45.1	Very low	61.9	Low	98 Å²	98	79.3 Å²	79.3	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-46.6	154.4	-88.1	104.5	0	0	0	108.6	A331 T337 R338 E339	A331-L335 WeakPolarHBondContact O-CB 2.99Å; A331-L335 PolarHBondContact O-N 3.44Å; A331-L335 VanDerWaalsContact O-N 3.15Å; L335-T337 PolarHBondContact O-N 3.37Å; L335-R338 PolarHBondContact O-N 3.3Å; L335-E339 WeakPolarHBondContact O-CA 3.38Å; L335-E339 WeakPolarHBondContact O-CB 3.38Å; L335-E339 WeakPolarHBondContact O-CG 3.35Å; L335-E339 PolarHBondContact O-N 3.35Å
336	D	50.3	Low	62.4	Low	83 Å²	83	77.3 Å²	77.3	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-43.6	172.7	-82.9	-33.9	0	0	0	110.7	E332 Q334 R338 E340	E332-D336 VanDerWaalsContact O-CA 3.25Å; E332-D336 WeakPolarHBondContact O-CA 3.26Å; E332-D336 WeakPolarHBondContact O-CB 3.18Å; E332-D336 PolarHBondContact O-N 3.41Å; Q334-D336 VanDerWaalsContact C-N 3.32Å; D336-R338 PolarHBondContact O-N 2.76Å; D336-E340 VanDerWaalsContact O-CA 3.24Å; D336-E340 WeakPolarHBondContact O-CA 3.16Å; D336-E340 WeakPolarHBondContact O-CB 3.03Å; D336-E340 PolarHBondContact O-N 3.07Å
337	T	62.4	Low	63.5	Low	82 Å²	82	76.3 Å²	76.3	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-71.7	-34	-179.2	40	0	0	0	0	112.8	N333 Q334 L335 T341	N333-T337 WeakPolarHBondContact O-CA 3.42Å; N333-T337 WeakPolarHBondContact O-CB 3.46Å; N333-T337 WeakPolarHBondContact O-CG2 3.32Å; N333-T337 PolarHBondContact O-N 2.9Å; N333-T337 PolarHBondContact O-OG1 3.42Å; Q334-T337 VanDerWaalsContact CA-OG1 3.26Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.24Å; L335-T337 PolarHBondContact O-N 3.37Å; T337-T341 WeakPolarHBondContact O-CB 3.3Å; T337-T341 PolarHBondContact O-N 3.49Å; T337-T341 PolarHBondContact O-OG1 3.39Å
338	R	74.3	Confident	65.4	Low	127 Å²	127	78.9 Å²	78.9	48%	0.479	39%	0.394	S	S	.	.	H	α-helix	trans	-71	-51.2	173.8	-171.9	177.1	-177.8	114.9	9.8	110.4	Q334 L335 D336 E340 T341 I342 D525	Q334-R338 VanDerWaalsContact O-CB 3.25Å; Q334-R338 WeakPolarHBondContact O-CB 3.21Å; Q334-R338 PolarHBondContact O-N 3.37Å; L335-R338 PolarHBondContact O-N 3.3Å; D336-R338 PolarHBondContact O-N 2.76Å; R338-E340 VanDerWaalsContact C-N 3.33Å; R338-E340 PolarHBondContact O-N 2.8Å; R338-T341 CarbonylContact O-C 3.6Å; R338-T341 WeakPolarHBondContact O-CA 3.45Å; R338-T341 WeakPolarHBondContact O-CB 3.43Å; R338-T341 PolarHBondContact O-N 2.78Å; R338-T341 VanDerWaalsContact O-N 3.1Å; R338-I342 HydrophobicContact CG-CG1 4.46Å; R338-I342 VanDerWaalsContact O-CG1 3.29Å; R338-I342 WeakPolarHBondContact O-CG1 3.35Å; R338-I342 PolarHBondContact O-N 3.42Å; R338-D525 IonicContact CZ-OD1 2.81Å; R338-D525 IonicContact CZ-OD2 2.96Å; R338-D525 IonicContact NE-OD1 3.72Å; R338-D525 PolarHBondContact NE-OD1 3.36Å; R338-D525 IonicContact NH2-OD1 3.44Å; R338-D525 PolarHBondContact NH2-OD1 2.94Å; R338-D525 IonicContact NH2-OD2 3.23Å; R338-D525 PolarHBondContact NH2-OD2 2.98Å
339	E	79.8	Confident	68	Low	66 Å²	66	70.6 Å²	70.6	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-41.3	176	-69.8	-173	173.1	0	0	111.5	L335 I342 K343 Y528	L335-E339 WeakPolarHBondContact O-CA 3.38Å; L335-E339 WeakPolarHBondContact O-CB 3.38Å; L335-E339 WeakPolarHBondContact O-CG 3.35Å; L335-E339 PolarHBondContact O-N 3.35Å; E339-I342 CarbonylContact O-C 3.59Å; E339-I342 PolarHBondContact O-N 2.61Å; E339-K343 WeakPolarHBondContact O-CA 3.23Å; E339-K343 WeakPolarHBondContact O-CB 3.3Å; E339-K343 PolarHBondContact O-N 3.17Å; E339-Y528 HydrophobicContact CB-CD2 3.96Å; E339-Y528 HydrophobicContact CB-CE1 4.36Å; E339-Y528 HydrophobicContact CB-CE2 3.48Å; E339-Y528 VanDerWaalsContact CB-CE2 3.48Å; E339-Y528 VanDerWaalsContact CD-CD2 3.5Å; E339-Y528 VanDerWaalsContact CD-CE2 3.43Å; E339-Y528 HydrophobicContact CG-CD2 3.53Å; E339-Y528 HydrophobicContact CG-CE2 3.54Å; E339-Y528 HydrophobicContact CG-CG 4.24Å; E339-Y528 WeakPolarHBondContact O-CE1 3.26Å; E339-Y528 WeakPolarHBondContact OE2-CE2 3.19Å
340	E	79	Confident	70.9	Confident	71 Å²	71	71.5 Å²	71.5	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-36.1	173.4	-168.7	63.8	-138.8	0	0	110.6	D336 R338 K343 Q344	D336-E340 VanDerWaalsContact O-CA 3.24Å; D336-E340 WeakPolarHBondContact O-CA 3.16Å; D336-E340 WeakPolarHBondContact O-CB 3.03Å; D336-E340 PolarHBondContact O-N 3.07Å; R338-E340 VanDerWaalsContact C-N 3.33Å; R338-E340 PolarHBondContact O-N 2.8Å; E340-K343 IonicContact OE1-NZ 3.87Å; E340-K343 PolarHBondContact OE1-NZ 3.19Å; E340-K343 IonicContact OE2-NZ 3.03Å; E340-K343 PolarHBondContact OE2-NZ 3.01Å; E340-Q344 VanDerWaalsContact O-CB 3.25Å; E340-Q344 WeakPolarHBondContact O-CB 3.42Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.37Å
341	T	85.3	Confident	73.7	Confident	65 Å²	65	72.8 Å²	72.8	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-46.9	170.7	-61.9	0	0	0	0	110.8	T337 R338 Q344 I345	T337-T341 WeakPolarHBondContact O-CB 3.3Å; T337-T341 PolarHBondContact O-N 3.49Å; T337-T341 PolarHBondContact O-OG1 3.39Å; R338-T341 CarbonylContact O-C 3.6Å; R338-T341 WeakPolarHBondContact O-CA 3.45Å; R338-T341 WeakPolarHBondContact O-CB 3.43Å; R338-T341 PolarHBondContact O-N 2.78Å; R338-T341 VanDerWaalsContact O-N 3.1Å; T341-Q344 WeakPolarHBondContact O-CB 3.37Å; T341-Q344 PolarHBondContact O-N 2.85Å; T341-I345 HydrophobicContact CG2-CD1 4Å; T341-I345 VanDerWaalsContact O-CG1 3.26Å; T341-I345 WeakPolarHBondContact O-CG1 3.49Å; T341-I345 PolarHBondContact O-N 2.91Å
342	I	90.8	Very high	76.5	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.046	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-41.5	178.5	-62.8	-43.5	0	0	0	110.7	R338 E339 I345 A346 L520 D525 Y528 V529	R338-I342 HydrophobicContact CG-CG1 4.46Å; R338-I342 VanDerWaalsContact O-CG1 3.29Å; R338-I342 WeakPolarHBondContact O-CG1 3.35Å; R338-I342 PolarHBondContact O-N 3.42Å; E339-I342 CarbonylContact O-C 3.59Å; E339-I342 PolarHBondContact O-N 2.61Å; I342-I345 HydrophobicContact CD1-CD1 4.22Å; I342-I345 PolarHBondContact O-N 3.43Å; I342-A346 VanDerWaalsContact O-CB 3.28Å; I342-A346 WeakPolarHBondContact O-CB 3.46Å; I342-A346 PolarHBondContact O-N 2.8Å; I342-L520 HydrophobicContact CD1-CD2 4.04Å; I342-L520 HydrophobicContact CG2-CD2 4Å; I342-D525 HydrophobicContact CD1-CB 3.85Å; I342-D525 HydrophobicContact CG1-CB 3.88Å; I342-D525 HydrophobicContact CG2-CB 4.34Å; I342-Y528 HydrophobicContact CB-CD1 4.1Å; I342-Y528 HydrophobicContact CB-CE1 4.45Å; I342-Y528 HydrophobicContact CG2-CD1 3.71Å; I342-Y528 HydrophobicContact CG2-CE1 4.35Å; I342-V529 HydrophobicContact CG2-CG2 3.59Å
343	K	90.4	Very high	79.3	Confident	57 Å²	57	62.9 Å²	62.9	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-42.8	173.2	176.7	178.9	163	-156.4	0	111.1	E339 E340 A346 T347 Y528 I533 F538	E339-K343 WeakPolarHBondContact O-CA 3.23Å; E339-K343 WeakPolarHBondContact O-CB 3.3Å; E339-K343 PolarHBondContact O-N 3.17Å; E340-K343 IonicContact OE1-NZ 3.87Å; E340-K343 PolarHBondContact OE1-NZ 3.19Å; E340-K343 IonicContact OE2-NZ 3.03Å; E340-K343 PolarHBondContact OE2-NZ 3.01Å; K343-A346 PolarHBondContact O-N 2.58Å; K343-T347 WeakPolarHBondContact O-CB 3.34Å; K343-T347 PolarHBondContact O-N 2.84Å; K343-T347 PolarHBondContact O-OG1 3.18Å; K343-Y528 HydrophobicContact CB-CE1 3.99Å; K343-I533 HydrophobicContact CD-CD1 3.99Å; K343-F538 HydrophobicContact CB-CZ 4.3Å; K343-F538 HydrophobicContact CG-CE1 4.13Å; K343-F538 HydrophobicContact CG-CZ 3.9Å
344	Q	90.5	Very high	82	Confident	94 Å²	94	63.8 Å²	63.8	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-44.2	174.4	-78.1	172.2	19.8	0	0	111.3	E340 T341 T347 K348	E340-Q344 VanDerWaalsContact O-CB 3.25Å; E340-Q344 WeakPolarHBondContact O-CB 3.42Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.37Å; T341-Q344 WeakPolarHBondContact O-CB 3.37Å; T341-Q344 PolarHBondContact O-N 2.85Å; Q344-T347 PolarHBondContact O-N 3.12Å; Q344-K348 VanDerWaalsContact O-CB 3.26Å; Q344-K348 WeakPolarHBondContact O-CB 3.47Å; Q344-K348 VanDerWaalsContact O-CG 3.22Å; Q344-K348 WeakPolarHBondContact O-CG 3.26Å; Q344-K348 PolarHBondContact O-N 3.11Å
345	I	93.4	Very high	84.8	Confident	43 Å²	43	64.9 Å²	64.9	22%	0.221	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-48.1	175.6	-69	167	0	0	0	110.1	T341 I342 K348 A349 L485 L520	T341-I345 HydrophobicContact CG2-CD1 4Å; T341-I345 VanDerWaalsContact O-CG1 3.26Å; T341-I345 WeakPolarHBondContact O-CG1 3.49Å; T341-I345 PolarHBondContact O-N 2.91Å; I342-I345 HydrophobicContact CD1-CD1 4.22Å; I342-I345 PolarHBondContact O-N 3.43Å; I345-K348 PolarHBondContact O-N 3.28Å; I345-A349 PolarHBondContact O-N 3.21Å; I345-L485 HydrophobicContact CG2-CD2 3.73Å; I345-L520 HydrophobicContact CG2-CD2 4.38Å
346	A	93.6	Very high	87.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-39.4	-178.8	0	0	0	0	0	112.8	I342 K343 A349 R350 L485 F538	I342-A346 VanDerWaalsContact O-CB 3.28Å; I342-A346 WeakPolarHBondContact O-CB 3.46Å; I342-A346 PolarHBondContact O-N 2.8Å; K343-A346 PolarHBondContact O-N 2.58Å; A346-A349 PolarHBondContact O-N 2.72Å; A346-R350 PolarHBondContact O-N 2.96Å; A346-R350 VanDerWaalsContact O-N 3.14Å; A346-L485 HydrophobicContact CB-CD1 3.91Å; A346-F538 HydrophobicContact CB-CB 3.66Å; A346-F538 HydrophobicContact CB-CD1 3.91Å; A346-F538 HydrophobicContact CB-CD2 4.25Å; A346-F538 HydrophobicContact CB-CG 3.69Å
347	T	91.9	Very high	89.3	Confident	49 Å²	49	58.7 Å²	58.7	30%	0.301	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-45.3	175.9	-56.6	0	0	0	0	110.6	K343 Q344 A349 R350 E351	K343-T347 WeakPolarHBondContact O-CB 3.34Å; K343-T347 PolarHBondContact O-N 2.84Å; K343-T347 PolarHBondContact O-OG1 3.18Å; Q344-T347 PolarHBondContact O-N 3.12Å; T347-A349 VanDerWaalsContact C-N 3.3Å; T347-A349 PolarHBondContact O-N 3.14Å; T347-R350 PolarHBondContact O-N 3.27Å; T347-R350 VanDerWaalsContact O-N 3.08Å; T347-E351 HydrophobicContact CG2-CG 4.38Å; T347-E351 WeakPolarHBondContact O-CG 3.39Å; T347-E351 PolarHBondContact O-N 3.31Å
348	K	93.6	Very high	90.7	Very high	115 Å²	115	59.4 Å²	59.4	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-40.7	174.4	-77.8	177.7	-179.9	179.4	0	112	Q344 I345 R350 E351 A352	Q344-K348 VanDerWaalsContact O-CB 3.26Å; Q344-K348 WeakPolarHBondContact O-CB 3.47Å; Q344-K348 VanDerWaalsContact O-CG 3.22Å; Q344-K348 WeakPolarHBondContact O-CG 3.26Å; Q344-K348 PolarHBondContact O-N 3.11Å; I345-K348 PolarHBondContact O-N 3.28Å; K348-R350 VanDerWaalsContact C-N 3.29Å; K348-R350 PolarHBondContact O-N 3.36Å; K348-E351 PolarHBondContact O-N 2.78Å; K348-A352 WeakPolarHBondContact O-CB 3.23Å; K348-A352 PolarHBondContact O-N 2.81Å
349	A	95.7	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-37.7	175.8	0	0	0	0	0	112	I345 A346 T347 S353 V458 L485 G515	I345-A349 PolarHBondContact O-N 3.21Å; A346-A349 PolarHBondContact O-N 2.72Å; T347-A349 VanDerWaalsContact C-N 3.3Å; T347-A349 PolarHBondContact O-N 3.14Å; A349-S353 PolarHBondContact O-N 3.5Å; A349-V458 HydrophobicContact CB-CG1 4.1Å; A349-L485 HydrophobicContact CB-CD2 3.79Å; A349-L485 HydrophobicContact CB-CG 4.34Å; A349-G515 VanDerWaalsContact CA-O 3.29Å; A349-G515 WeakPolarHBondContact CA-O 3.45Å; A349-G515 PolarHBondContact N-O 3.2Å
350	R	94.7	Very high	92.3	Very high	76 Å²	76	55.4 Å²	55.4	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-72.4	-44	175.6	-172.5	147.1	-61.3	-97.2	0.9	113.3	A346 T347 K348 A352 S353 I354 V458 F538 D540	A346-R350 PolarHBondContact O-N 2.96Å; A346-R350 VanDerWaalsContact O-N 3.14Å; T347-R350 PolarHBondContact O-N 3.27Å; T347-R350 VanDerWaalsContact O-N 3.08Å; K348-R350 VanDerWaalsContact C-N 3.29Å; K348-R350 PolarHBondContact O-N 3.36Å; R350-A352 VanDerWaalsContact C-N 3.29Å; R350-A352 PolarHBondContact O-N 2.88Å; R350-S353 PolarHBondContact O-N 2.99Å; R350-S353 PolarHBondContact O-OG 3.07Å; R350-I354 PolarHBondContact O-N 3.38Å; R350-V458 HydrophobicContact CB-CG2 3.8Å; R350-V458 HydrophobicContact CG-CG2 4.26Å; R350-V458 VanDerWaalsContact NH2-CB 3.26Å; R350-V458 VanDerWaalsContact NH2-CG2 3.29Å; R350-F538 PolarHBondContact NE-O 3.34Å; R350-F538 PolarHBondContact NH2-O 2.87Å; R350-D540 IonicContact CZ-OD1 2.86Å; R350-D540 IonicContact CZ-OD2 2.8Å; R350-D540 IonicContact NH1-OD1 3.6Å; R350-D540 IonicContact NH1-OD2 3.27Å; R350-D540 PolarHBondContact NH1-OD2 2.88Å; R350-D540 VanDerWaalsContact NH2-CG 3.28Å; R350-D540 IonicContact NH2-OD1 3.34Å; R350-D540 PolarHBondContact NH2-OD1 3.18Å; R350-D540 IonicContact NH2-OD2 3.49Å; R350-D540 PolarHBondContact NH2-OD2 2.61Å
351	E	94.2	Very high	93.1	Very high	113 Å²	113	54 Å²	54	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-43.1	175.2	-70.3	173.7	172	0	0	110.9	T347 K348 S353 I354 L355	T347-E351 HydrophobicContact CG2-CG 4.38Å; T347-E351 WeakPolarHBondContact O-CG 3.39Å; T347-E351 PolarHBondContact O-N 3.31Å; K348-E351 PolarHBondContact O-N 2.78Å; E351-S353 VanDerWaalsContact C-N 3.33Å; E351-S353 PolarHBondContact O-N 3.18Å; E351-I354 WeakPolarHBondContact O-CB 3.34Å; E351-I354 PolarHBondContact O-N 3.25Å; E351-L355 PolarHBondContact O-N 3.45Å
352	A	93.5	Very high	93.6	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-34.1	176.6	0	0	0	0	0	112.9	K348 R350 I354 L355 L356 P513 A516	K348-A352 WeakPolarHBondContact O-CB 3.23Å; K348-A352 PolarHBondContact O-N 2.81Å; R350-A352 VanDerWaalsContact C-N 3.29Å; R350-A352 PolarHBondContact O-N 2.88Å; A352-I354 VanDerWaalsContact C-N 3.3Å; A352-I354 PolarHBondContact O-N 3.41Å; A352-L355 PolarHBondContact O-N 3.25Å; A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 WeakPolarHBondContact O-CG 3.21Å; A352-L356 PolarHBondContact O-N 3.02Å; A352-P513 HydrophobicContact CB-CB 3.89Å; A352-P513 HydrophobicContact CB-CG 3.52Å; A352-A516 VanDerWaalsContact CB-CA 3.41Å; A352-A516 HydrophobicContact CB-CB 3.87Å
353	S	94.8	Very high	93.9	Very high	7 Å²	7	55.4 Å²	55.4	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-35.3	176.3	80.2	0	0	0	0	112.2	A349 R350 E351 L356 N357 G457 G483	A349-S353 PolarHBondContact O-N 3.5Å; R350-S353 PolarHBondContact O-N 2.99Å; R350-S353 PolarHBondContact O-OG 3.07Å; E351-S353 VanDerWaalsContact C-N 3.33Å; E351-S353 PolarHBondContact O-N 3.18Å; S353-L356 PolarHBondContact O-N 3.21Å; S353-N357 WeakPolarHBondContact O-CB 3.38Å; S353-N357 PolarHBondContact O-N 3.35Å; S353-G457 VanDerWaalsContact CB-O 3.3Å; S353-G457 WeakPolarHBondContact CB-O 3.48Å; S353-G483 VanDerWaalsContact CB-N 3.27Å
354	I	94	Very high	94.2	Very high	108 Å²	108	53 Å²	53	55%	0.554	28%	0.281	S	S	*	.	H	α-helix	trans	-65.3	-43.5	174.6	-61.5	169.1	0	0	0	110.7	R350 E351 A352 N357 S358	R350-I354 PolarHBondContact O-N 3.38Å; E351-I354 WeakPolarHBondContact O-CB 3.34Å; E351-I354 PolarHBondContact O-N 3.25Å; A352-I354 VanDerWaalsContact C-N 3.3Å; A352-I354 PolarHBondContact O-N 3.41Å; I354-N357 PolarHBondContact O-N 3.06Å; I354-S358 PolarHBondContact O-N 3.49Å; I354-S358 VanDerWaalsContact O-N 3.12Å; I354-S358 PolarHBondContact O-OG 3.05Å
355	L	94.4	Very high	94.5	Very high	98 Å²	98	48.5 Å²	48.5	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-66.7	-43.1	177.1	-66.6	176.1	0	0	0	111.6	E351 A352 N357 S358 S359 P513	E351-L355 PolarHBondContact O-N 3.45Å; A352-L355 PolarHBondContact O-N 3.25Å; L355-N357 VanDerWaalsContact C-N 3.32Å; L355-N357 PolarHBondContact O-N 3.29Å; L355-S358 CarbonylContact O-C 3.59Å; L355-S358 PolarHBondContact O-N 2.81Å; L355-S358 VanDerWaalsContact O-N 3.14Å; L355-S359 PolarHBondContact O-N 3.04Å; L355-P513 HydrophobicContact CB-CG 4.09Å; L355-P513 HydrophobicContact CD1-CB 4.32Å; L355-P513 HydrophobicContact CD1-CG 4.04Å
356	L	94.9	Very high	94.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-42.6	173.6	-78.9	177.1	0	0	0	111.5	A352 S353 S358 S359 R364 A481 L512 A516	A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 WeakPolarHBondContact O-CG 3.21Å; A352-L356 PolarHBondContact O-N 3.02Å; S353-L356 PolarHBondContact O-N 3.21Å; L356-S358 PolarHBondContact O-N 3.34Å; L356-S359 WeakPolarHBondContact O-CB 3.38Å; L356-S359 PolarHBondContact O-N 3.44Å; L356-S359 VanDerWaalsContact O-N 3.15Å; L356-S359 PolarHBondContact O-OG 3.26Å; L356-R364 HydrophobicContact CD2-CG 4.4Å; L356-R364 PolarHBondContact O-NH1 3.04Å; L356-A481 HydrophobicContact CB-CB 4.03Å; L356-L512 HydrophobicContact CD2-CD1 3.92Å; L356-L512 HydrophobicContact CD2-CD2 4.24Å; L356-L512 HydrophobicContact CD2-CG 4.46Å; L356-A516 HydrophobicContact CD1-CB 3.63Å; L356-A516 HydrophobicContact CG-CB 4.3Å
357	N	93.3	Very high	94.9	Very high	51 Å²	51	49.4 Å²	49.4	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-29.4	178.6	-171.9	31.1	0	0	0	112.4	S353 I354 L355 V434 P455 A481	S353-N357 WeakPolarHBondContact O-CB 3.38Å; S353-N357 PolarHBondContact O-N 3.35Å; I354-N357 PolarHBondContact O-N 3.06Å; L355-N357 VanDerWaalsContact C-N 3.32Å; L355-N357 PolarHBondContact O-N 3.29Å; N357-V434 WeakPolarHBondContact OD1-CG1 3.45Å; N357-P455 HydrophobicContact CB-CG 4.17Å; N357-A481 HydrophobicContact CB-CB 4.26Å
358	S	92.3	Very high	95.2	Very high	97 Å²	97	47.1 Å²	47.1	68%	0.678	25%	0.25	S	S	*	.	H	α-helix	trans	-83.9	-13.8	176.9	-53.6	0	0	0	0	113.3	I354 L355 L356	I354-S358 PolarHBondContact O-N 3.49Å; I354-S358 VanDerWaalsContact O-N 3.12Å; I354-S358 PolarHBondContact O-OG 3.05Å; L355-S358 CarbonylContact O-C 3.59Å; L355-S358 PolarHBondContact O-N 2.81Å; L355-S358 VanDerWaalsContact O-N 3.14Å; L356-S358 PolarHBondContact O-N 3.34Å
359	S	94.4	Very high	95.4	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	23%	0.233	C	C	.	.	S	Bend	trans	-75.6	162.6	179.6	74.5	0	0	0	0	113.1	L355 L356 R364	L355-S359 PolarHBondContact O-N 3.04Å; L356-S359 WeakPolarHBondContact O-CB 3.38Å; L356-S359 PolarHBondContact O-N 3.44Å; L356-S359 VanDerWaalsContact O-N 3.15Å; L356-S359 PolarHBondContact O-OG 3.26Å; S359-R364 PolarHBondContact O-NH1 3.38Å; S359-R364 WeakPolarHBondContact OG-CD 3.34Å; S359-R364 VanDerWaalsContact OG-CG 3.25Å; S359-R364 WeakPolarHBondContact OG-CG 3.39Å; S359-R364 PolarHBondContact OG-NH1 2.77Å; S359-R364 VanDerWaalsContact OG-NH1 3.14Å
360	T	94.5	Very high	95.6	Very high	84 Å²	84	44 Å²	44	52%	0.515	24%	0.239	S	C	.	.			trans	-75.2	147.8	175.5	66.1	0	0	0	0	111.1	E362 A363 R364	T360-E362 PolarHBondContact O-N 3.42Å; T360-A363 PolarHBondContact O-N 3.21Å; T360-A363 WeakPolarHBondContact OG1-CB 3.23Å; T360-A363 PolarHBondContact OG1-N 3.33Å; T360-A363 VanDerWaalsContact OG1-N 3.14Å; T360-R364 PolarHBondContact O-N 3.3Å; T360-R364 PolarHBondContact O-NH1 3.21Å
361	P	94.3	Very high	95.7	Very high	41 Å²	41	40.5 Å²	40.5	27%	0.266	23%	0.226	S	C	.	.	H	α-helix	trans	-53.3	-36.3	171.6	-27.1	35	0	0	0	113.4	R364 A365 H431	P361-R364 PolarHBondContact O-N 2.9Å; P361-A365 PolarHBondContact O-N 2.85Å; P361-H431 WeakPolarHBondContact CG-O 3.25Å
362	E	96.1	Very high	95.9	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-67.3	-43.5	179.8	-170.6	57.6	-142.2	0	0	112.2	T360 R364 A365 I366 R428	T360-E362 PolarHBondContact O-N 3.42Å; E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 2.91Å; E362-A365 PolarHBondContact O-N 3.12Å; E362-A365 VanDerWaalsContact O-N 3.13Å; E362-I366 HydrophobicContact CG-CD1 3.94Å; E362-I366 HydrophobicContact CG-CG1 4.39Å; E362-I366 WeakPolarHBondContact O-CG1 3.38Å; E362-I366 PolarHBondContact O-N 3.38Å; E362-R428 IonicContact OE1-CZ 2.67Å; E362-R428 IonicContact OE1-NE 2.72Å; E362-R428 PolarHBondContact OE1-NE 3.43Å; E362-R428 IonicContact OE1-NH2 3.74Å; E362-R428 PolarHBondContact OE1-NH2 3.25Å; E362-R428 WeakPolarHBondContact OE2-CG 3.39Å; E362-R428 IonicContact OE2-NE 3.79Å; E362-R428 PolarHBondContact OE2-NE 2.8Å
363	A	96.8	Very high	96.1	Very high	20 Å²	20	38.7 Å²	38.7	17%	0.165	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-42	176.3	0	0	0	0	0	111.3	T360 I366 A367	T360-A363 PolarHBondContact O-N 3.21Å; T360-A363 WeakPolarHBondContact OG1-CB 3.23Å; T360-A363 PolarHBondContact OG1-N 3.33Å; T360-A363 VanDerWaalsContact OG1-N 3.14Å; A363-I366 PolarHBondContact O-N 2.93Å; A363-A367 PolarHBondContact O-N 3.39Å
364	R	96.9	Very high	96.3	Very high	5 Å²	5	40 Å²	40	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-39.2	176.3	-59.5	-164.6	-54.5	-86.8	2	112.3	L356 S359 T360 P361 E362 A367 I368 I478 L512	L356-R364 HydrophobicContact CD2-CG 4.4Å; L356-R364 PolarHBondContact O-NH1 3.04Å; S359-R364 PolarHBondContact O-NH1 3.38Å; S359-R364 WeakPolarHBondContact OG-CD 3.34Å; S359-R364 VanDerWaalsContact OG-CG 3.25Å; S359-R364 WeakPolarHBondContact OG-CG 3.39Å; S359-R364 PolarHBondContact OG-NH1 2.77Å; S359-R364 VanDerWaalsContact OG-NH1 3.14Å; T360-R364 PolarHBondContact O-N 3.3Å; T360-R364 PolarHBondContact O-NH1 3.21Å; P361-R364 PolarHBondContact O-N 2.9Å; E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 2.91Å; R364-A367 PolarHBondContact O-N 3.3Å; R364-I368 WeakPolarHBondContact O-CG1 3.26Å; R364-I368 PolarHBondContact O-N 2.96Å; R364-I478 HydrophobicContact CB-CG2 3.96Å; R364-I478 WeakPolarHBondContact CD-O 3.24Å; R364-I478 HydrophobicContact CG-CG2 4.4Å; R364-I478 PolarHBondContact NE-O 2.96Å; R364-L512 HydrophobicContact CG-CD1 4.21Å
365	A	97.2	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-42.7	175.7	0	0	0	0	0	112.1	P361 E362 A367 I368 D369 A424 R428	P361-A365 PolarHBondContact O-N 2.85Å; E362-A365 PolarHBondContact O-N 3.12Å; E362-A365 VanDerWaalsContact O-N 3.13Å; A365-A367 PolarHBondContact O-N 3.01Å; A365-I368 PolarHBondContact O-N 3.44Å; A365-D369 PolarHBondContact O-N 2.95Å; A365-A424 HydrophobicContact CB-CB 4.27Å; A365-R428 HydrophobicContact CB-CG 3.85Å
366	I	98.1	Very high	96.7	Very high	62 Å²	62	33.5 Å²	33.5	32%	0.318	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-39.5	176.2	-65	169	0	0	0	111	E362 A363 I368 D369 N370 V510	E362-I366 HydrophobicContact CG-CD1 3.94Å; E362-I366 HydrophobicContact CG-CG1 4.39Å; E362-I366 WeakPolarHBondContact O-CG1 3.38Å; E362-I366 PolarHBondContact O-N 3.38Å; A363-I366 PolarHBondContact O-N 2.93Å; I366-I368 VanDerWaalsContact C-N 3.28Å; I366-I368 PolarHBondContact O-N 3.1Å; I366-D369 PolarHBondContact O-N 2.81Å; I366-N370 WeakPolarHBondContact O-CB 3.48Å; I366-N370 VanDerWaalsContact O-CG 3.23Å; I366-N370 PolarHBondContact O-N 3.24Å; I366-N370 PolarHBondContact O-ND2 3.22Å; I366-V510 HydrophobicContact CB-CG1 3.94Å; I366-V510 HydrophobicContact CG2-CG1 3.44Å; I366-V510 VanDerWaalsContact CG2-CG1 3.44Å
367	A	98.1	Very high	96.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-41.6	173.8	0	0	0	0	0	112.2	A363 R364 A365 N370 L371 I478 L507 V510 L512	A363-A367 PolarHBondContact O-N 3.39Å; R364-A367 PolarHBondContact O-N 3.3Å; A365-A367 PolarHBondContact O-N 3.01Å; A367-N370 PolarHBondContact O-N 3.4Å; A367-L371 PolarHBondContact O-N 2.88Å; A367-I478 HydrophobicContact CB-CG2 4.47Å; A367-L507 HydrophobicContact CB-CD2 4.17Å; A367-V510 HydrophobicContact CB-CG2 3.76Å; A367-L512 HydrophobicContact CB-CD1 4.22Å
368	I	97.7	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-40.5	178.6	-63.3	165	0	0	0	110.8	R364 A365 I366 L371 A372 L420 I423 A424 A475 I478 A479	R364-I368 WeakPolarHBondContact O-CG1 3.26Å; R364-I368 PolarHBondContact O-N 2.96Å; A365-I368 PolarHBondContact O-N 3.44Å; I366-I368 VanDerWaalsContact C-N 3.28Å; I366-I368 PolarHBondContact O-N 3.1Å; I368-L371 WeakPolarHBondContact O-CB 3.24Å; I368-L371 PolarHBondContact O-N 2.69Å; I368-A372 PolarHBondContact O-N 2.6Å; I368-L420 HydrophobicContact CG2-CB 3.96Å; I368-L420 HydrophobicContact CG2-CG 4.2Å; I368-L420 WeakPolarHBondContact CG2-O 3.4Å; I368-I423 HydrophobicContact CD1-CG2 4.11Å; I368-A424 HydrophobicContact CB-CB 4.11Å; I368-A424 HydrophobicContact CG2-CB 4.02Å; I368-A475 WeakPolarHBondContact CD1-O 3.2Å; I368-A475 HydrophobicContact CG1-CB 4.27Å; I368-A475 HydrophobicContact CG2-CB 3.98Å; I368-I478 HydrophobicContact CD1-CB 4.43Å; I368-I478 HydrophobicContact CD1-CG2 4.19Å; I368-I478 HydrophobicContact CG1-CB 4.32Å; I368-I478 HydrophobicContact CG1-CG2 4.02Å; I368-A479 HydrophobicContact CD1-CB 3.92Å
369	D	98.3	Very high	97.2	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-43.1	173.4	-81.2	-47.5	0	0	0	112	A365 I366 L371 A372 D373 R421 R428	A365-D369 PolarHBondContact O-N 2.95Å; I366-D369 PolarHBondContact O-N 2.81Å; D369-L371 VanDerWaalsContact C-N 3.29Å; D369-L371 PolarHBondContact O-N 3.47Å; D369-A372 WeakPolarHBondContact O-CB 3.25Å; D369-A372 PolarHBondContact O-N 3.38Å; D369-A372 VanDerWaalsContact O-N 3.12Å; D369-D373 PolarHBondContact O-N 3.15Å; D369-R421 IonicContact OD1-NH1 2.81Å; D369-R421 PolarHBondContact OD1-NH1 3.41Å; D369-R428 IonicContact OD2-CZ 3.64Å; D369-R428 IonicContact OD2-NH1 2.76Å; D369-R428 PolarHBondContact OD2-NH1 3.47Å; D369-R428 IonicContact OD2-NH2 2.63Å; D369-R428 PolarHBondContact OD2-NH2 2.83Å
370	N	98.5	Very high	97.3	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-39.6	175.8	-72.2	-22.6	0	0	0	111.6	I366 A367 D373 K374 A506 M509	I366-N370 WeakPolarHBondContact O-CB 3.48Å; I366-N370 VanDerWaalsContact O-CG 3.23Å; I366-N370 PolarHBondContact O-N 3.24Å; I366-N370 PolarHBondContact O-ND2 3.22Å; A367-N370 PolarHBondContact O-N 3.4Å; N370-D373 PolarHBondContact O-N 2.59Å; N370-K374 WeakPolarHBondContact O-CB 3.41Å; N370-K374 WeakPolarHBondContact O-CG 3.45Å; N370-K374 PolarHBondContact O-N 2.78Å; N370-A506 HydrophobicContact CB-CB 4.01Å; N370-M509 HydrophobicContact CB-SD 4.36Å; N370-M509 WeakPolarHBondContact ND2-CB 3.39Å
371	L	98.3	Very high	97.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-44.9	174.2	178.8	57	0	0	0	110.8	A367 I368 D369 D373 K374 L375 L420 P471 L502 V503 A506	A367-L371 PolarHBondContact O-N 2.88Å; I368-L371 WeakPolarHBondContact O-CB 3.24Å; I368-L371 PolarHBondContact O-N 2.69Å; D369-L371 VanDerWaalsContact C-N 3.29Å; D369-L371 PolarHBondContact O-N 3.47Å; L371-D373 VanDerWaalsContact C-N 3.31Å; L371-D373 PolarHBondContact O-N 2.7Å; L371-K374 PolarHBondContact O-N 3.09Å; L371-L375 HydrophobicContact CD1-CG 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.5Å; L371-L375 PolarHBondContact O-N 3.41Å; L371-L420 HydrophobicContact CB-CD2 4.08Å; L371-L420 HydrophobicContact CD2-CD2 3.56Å; L371-L420 HydrophobicContact CG-CD2 3.54Å; L371-P471 HydrophobicContact CD2-CB 4.39Å; L371-L502 HydrophobicContact CD1-CB 4.23Å; L371-V503 HydrophobicContact CD1-CG2 3.83Å; L371-V503 HydrophobicContact CD2-CG2 3.79Å; L371-V503 HydrophobicContact CG-CG2 4.49Å; L371-A506 HydrophobicContact CB-CB 3.81Å
372	A	97.8	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-41.1	176.7	0	0	0	0	0	112.3	I368 D369 S417 L420 R421	I368-A372 PolarHBondContact O-N 2.6Å; D369-A372 WeakPolarHBondContact O-CB 3.25Å; D369-A372 PolarHBondContact O-N 3.38Å; D369-A372 VanDerWaalsContact O-N 3.12Å; A372-S417 WeakPolarHBondContact CB-OG 3.5Å; A372-S417 PolarHBondContact O-OG 2.94Å; A372-L420 HydrophobicContact CB-CB 3.99Å; A372-R421 HydrophobicContact CB-CG 3.93Å
373	D	98.4	Very high	97.7	Very high	78 Å²	78	38.2 Å²	38.2	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-43.6	174.6	-76.1	-35.4	0	0	0	112.2	D369 N370 L371 L375 L376 K377 R421	D369-D373 PolarHBondContact O-N 3.15Å; N370-D373 PolarHBondContact O-N 2.59Å; L371-D373 VanDerWaalsContact C-N 3.31Å; L371-D373 PolarHBondContact O-N 2.7Å; D373-L375 PolarHBondContact O-N 3.21Å; D373-L376 PolarHBondContact O-N 2.96Å; D373-K377 WeakPolarHBondContact O-CB 3.45Å; D373-K377 PolarHBondContact O-N 3.32Å; D373-R421 IonicContact OD1-CZ 3.76Å; D373-R421 IonicContact OD1-NH1 3.8Å; D373-R421 IonicContact OD1-NH2 3.98Å; D373-R421 PolarHBondContact OD1-NH2 2.89Å
374	K	98.2	Very high	97.8	Very high	34 Å²	34	44 Å²	44	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-38.7	179.1	-83.5	-179.3	176.8	-75.4	0	112.7	N370 L371 L376 K377 H378 L502 E505 A506	N370-K374 WeakPolarHBondContact O-CB 3.41Å; N370-K374 WeakPolarHBondContact O-CG 3.45Å; N370-K374 PolarHBondContact O-N 2.78Å; L371-K374 PolarHBondContact O-N 3.09Å; K374-L376 VanDerWaalsContact C-N 3.29Å; K374-L376 PolarHBondContact O-N 2.94Å; K374-K377 PolarHBondContact O-N 3.25Å; K374-H378 WeakPolarHBondContact O-CB 3.45Å; K374-H378 PolarHBondContact O-CD2 3.05Å; K374-H378 PolarHBondContact O-N 3.11Å; K374-L502 HydrophobicContact CB-CB 4.43Å; K374-L502 HydrophobicContact CB-CD2 4.28Å; K374-L502 HydrophobicContact CD-CD2 4.43Å; K374-E505 HydrophobicContact CD-CB 4.08Å; K374-E505 IonicContact NZ-OE2 3.72Å; K374-E505 PolarHBondContact NZ-OE2 2.67Å; K374-A506 HydrophobicContact CD-CB 4.35Å
375	L	98	Very high	97.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-42.9	175.8	-71.8	175.6	0	0	0	111.9	L371 D373 E379 I382 I413 L416 L420 P471 L499 L502	L371-L375 HydrophobicContact CD1-CG 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.5Å; L371-L375 PolarHBondContact O-N 3.41Å; D373-L375 PolarHBondContact O-N 3.21Å; L375-E379 PolarHBondContact O-N 3.38Å; L375-I382 HydrophobicContact CD2-CD1 3.97Å; L375-I413 HydrophobicContact CB-CG2 4.22Å; L375-L416 HydrophobicContact CD1-CD2 3.98Å; L375-L416 HydrophobicContact CD1-CG 3.91Å; L375-L420 HydrophobicContact CD1-CD2 3.98Å; L375-P471 HydrophobicContact CD1-CB 4.17Å; L375-P471 HydrophobicContact CD2-CG 4.24Å; L375-L499 HydrophobicContact CD2-CD2 3.48Å; L375-L499 VanDerWaalsContact CD2-CD2 3.48Å; L375-L502 HydrophobicContact CD2-CD1 4.38Å
376	L	98.1	Very high	97.7	Very high	69 Å²	69	46 Å²	46	36%	0.361	22%	0.219	S	C	.	.	H	α-helix	trans	-72.8	-38.5	177.8	-63.7	176.4	0	0	0	112	D373 K374 H378 E379 K414	D373-L376 PolarHBondContact O-N 2.96Å; K374-L376 VanDerWaalsContact C-N 3.29Å; K374-L376 PolarHBondContact O-N 2.94Å; L376-H378 VanDerWaalsContact C-N 3.33Å; L376-H378 PolarHBondContact O-N 3.18Å; L376-E379 WeakPolarHBondContact O-CB 3.47Å; L376-K414 HydrophobicContact CD2-CB 4.43Å
377	K	98	Very high	97.7	Very high	174 Å²	174	47.5 Å²	47.5	76%	0.757	22%	0.224	S	C	*	.	H	α-helix	trans	-68.6	-31.5	-179.6	-174.1	178.7	178.6	-176.4	0	113.2	D373 K374	D373-K377 WeakPolarHBondContact O-CB 3.45Å; D373-K377 PolarHBondContact O-N 3.32Å; K374-K377 PolarHBondContact O-N 3.25Å
378	H	97.4	Very high	97.5	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.199	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	20.7	-178.4	-70.2	-96.9	0	0	0	112.6	K374 L376 D380 E381 I382 L502	K374-H378 WeakPolarHBondContact O-CB 3.45Å; K374-H378 PolarHBondContact O-CD2 3.05Å; K374-H378 PolarHBondContact O-N 3.11Å; L376-H378 VanDerWaalsContact C-N 3.33Å; L376-H378 PolarHBondContact O-N 3.18Å; H378-D380 VanDerWaalsContact C-N 3.32Å; H378-D380 PolarHBondContact O-N 3Å; H378-E381 IonicContact CE1-OE2 3.35Å; H378-E381 IonicContact CG-OE2 2.78Å; H378-E381 IonicContact ND1-OE2 3.85Å; H378-E381 PolarHBondContact ND1-OE2 3.44Å; H378-E381 WeakPolarHBondContact O-CB 3.24Å; H378-E381 PolarHBondContact O-N 3.37Å; H378-E381 VanDerWaalsContact O-N 3.11Å; H378-I382 WeakPolarHBondContact O-CG1 3.46Å; H378-I382 PolarHBondContact O-N 3.48Å; H378-L502 HydrophobicContact CB-CD1 3.97Å; H378-L502 HydrophobicContact CB-CD2 4.23Å
379	E	97.1	Very high	97.3	Very high	41 Å²	41	49.6 Å²	49.6	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-44.9	-175.6	-173.1	175.6	-159.7	0	0	112.7	L375 L376 E381 I382 I383 H410 I413	L375-E379 PolarHBondContact O-N 3.38Å; L376-E379 WeakPolarHBondContact O-CB 3.47Å; E379-E381 VanDerWaalsContact C-N 3.33Å; E379-E381 PolarHBondContact O-N 3.32Å; E379-I382 PolarHBondContact O-N 2.81Å; E379-I383 HydrophobicContact CG-CD1 4.03Å; E379-I383 WeakPolarHBondContact O-CG1 3.44Å; E379-I383 PolarHBondContact O-N 2.76Å; E379-H410 WeakPolarHBondContact OE1-CA 3.19Å; E379-H410 WeakPolarHBondContact OE1-CB 2.78Å; E379-H410 IonicContact OE1-CE1 3.52Å; E379-H410 IonicContact OE1-CG 3.93Å; E379-H410 VanDerWaalsContact OE1-CG 3.27Å; E379-H410 IonicContact OE1-ND1 2.72Å; E379-H410 PolarHBondContact OE1-ND1 3.49Å; E379-H410 IonicContact OE2-ND1 3.72Å; E379-H410 PolarHBondContact OE2-ND1 3.42Å; E379-I413 HydrophobicContact CG-CB 4.46Å; E379-I413 HydrophobicContact CG-CD1 3.81Å; E379-I413 HydrophobicContact CG-CG2 4.22Å
380	D	96.5	Very high	97	Very high	127 Å²	127	49.8 Å²	49.8	68%	0.679	24%	0.236	S	C	*	.	H	α-helix	trans	-62.5	-38.5	178.6	-64.2	-29.7	0	0	0	112.4	H378 Y384	H378-D380 VanDerWaalsContact C-N 3.32Å; H378-D380 PolarHBondContact O-N 3Å; D380-Y384 WeakPolarHBondContact O-CB 3.42Å; D380-Y384 PolarHBondContact O-N 2.93Å
381	E	97.9	Very high	96.7	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-43.8	177.2	-174.5	-173.1	175.7	0	0	110.9	H378 E379 I383 Y384 E385 V498 R501	H378-E381 IonicContact CE1-OE2 3.35Å; H378-E381 IonicContact CG-OE2 2.78Å; H378-E381 IonicContact ND1-OE2 3.85Å; H378-E381 PolarHBondContact ND1-OE2 3.44Å; H378-E381 WeakPolarHBondContact O-CB 3.24Å; H378-E381 PolarHBondContact O-N 3.37Å; H378-E381 VanDerWaalsContact O-N 3.11Å; E379-E381 VanDerWaalsContact C-N 3.33Å; E379-E381 PolarHBondContact O-N 3.32Å; E381-I383 PolarHBondContact O-N 2.99Å; E381-Y384 PolarHBondContact O-N 2.98Å; E381-E385 PolarHBondContact O-N 3.21Å; E381-E385 VanDerWaalsContact O-N 3.12Å; E381-V498 HydrophobicContact CG-CG1 4.23Å; E381-R501 IonicContact OE1-CZ 3.42Å; E381-R501 IonicContact OE1-NH2 3.78Å; E381-R501 PolarHBondContact OE1-NH2 3Å; E381-R501 IonicContact OE2-NH2 3.89Å; E381-R501 PolarHBondContact OE2-NH2 3.39Å
382	I	97.7	Very high	96.3	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-45.3	178.6	-66.1	163.7	0	0	0	110.4	L375 H378 E379 N386 L408 I413 T495 V498 L499 L502	L375-I382 HydrophobicContact CD2-CD1 3.97Å; H378-I382 WeakPolarHBondContact O-CG1 3.46Å; H378-I382 PolarHBondContact O-N 3.48Å; E379-I382 PolarHBondContact O-N 2.81Å; I382-N386 VanDerWaalsContact O-CB 3.29Å; I382-N386 WeakPolarHBondContact O-CB 3.35Å; I382-N386 PolarHBondContact O-N 2.81Å; I382-L408 HydrophobicContact CG2-CD1 3.61Å; I382-I413 HydrophobicContact CB-CD1 4.14Å; I382-I413 HydrophobicContact CG2-CD1 3.77Å; I382-I413 HydrophobicContact CG2-CG1 4.49Å; I382-T495 HydrophobicContact CG2-CG2 4.32Å; I382-V498 HydrophobicContact CG1-CG1 3.96Å; I382-L499 HydrophobicContact CD1-CD2 3.9Å; I382-L499 HydrophobicContact CG1-CD2 4.15Å; I382-L499 HydrophobicContact CG2-CD2 4.35Å; I382-L502 HydrophobicContact CD1-CD1 3.98Å; I382-L502 HydrophobicContact CG1-CD1 4.39Å
383	I	97.4	Very high	95.8	Very high	24 Å²	24	58.7 Å²	58.7	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-42.7	179.9	-70.8	172.9	0	0	0	110.8	E379 E381 E385 N386 E387 H410 I413	E379-I383 HydrophobicContact CG-CD1 4.03Å; E379-I383 WeakPolarHBondContact O-CG1 3.44Å; E379-I383 PolarHBondContact O-N 2.76Å; E381-I383 PolarHBondContact O-N 2.99Å; I383-E385 PolarHBondContact O-N 3.29Å; I383-N386 PolarHBondContact O-N 3.4Å; I383-N386 VanDerWaalsContact O-N 3.16Å; I383-E387 WeakPolarHBondContact O-CG 2.88Å; I383-E387 PolarHBondContact O-N 2.64Å; I383-H410 HydrophobicContact CD1-CB 4.5Å; I383-H410 VanDerWaalsContact CD1-CD2 3.49Å; I383-H410 WeakPolarHBondContact CD1-CD2 3.25Å; I383-H410 WeakPolarHBondContact CD1-CE1 3.2Å; I383-H410 WeakPolarHBondContact CD1-ND1 3.35Å; I383-H410 VanDerWaalsContact CD1-NE2 3.29Å; I383-H410 WeakPolarHBondContact CD1-NE2 3.04Å; I383-I413 HydrophobicContact CD1-CD1 4.21Å; I383-I413 HydrophobicContact CG1-CD1 3.86Å
384	Y	97.5	Very high	95.2	Very high	143 Å²	143	60.5 Å²	60.5	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-58.3	-48.6	178.2	177	-96.9	0	0	0	112.4	D380 E381 N386 E387 I388	D380-Y384 WeakPolarHBondContact O-CB 3.42Å; D380-Y384 PolarHBondContact O-N 2.93Å; E381-Y384 PolarHBondContact O-N 2.98Å; Y384-N386 VanDerWaalsContact C-N 3.32Å; Y384-N386 PolarHBondContact O-N 3.07Å; Y384-E387 PolarHBondContact O-N 3.48Å; Y384-I388 HydrophobicContact CD1-CD1 4.27Å; Y384-I388 HydrophobicContact CE1-CD1 3.71Å; Y384-I388 PolarHBondContact O-N 3.1Å
385	E	96.3	Very high	94.6	Very high	44 Å²	44	63.2 Å²	63.2	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-67.8	-32.5	176.6	-69	-61.9	147.3	0	0	112.1	E381 I383 I388 D389 H494 V498	E381-E385 PolarHBondContact O-N 3.21Å; E381-E385 VanDerWaalsContact O-N 3.12Å; I383-E385 PolarHBondContact O-N 3.29Å; E385-I388 WeakPolarHBondContact O-CB 3.13Å; E385-I388 PolarHBondContact O-N 3.06Å; E385-D389 PolarHBondContact O-N 3.45Å; E385-D389 VanDerWaalsContact O-N 3.1Å; E385-H494 HydrophobicContact CB-CB 4.15Å; E385-H494 WeakPolarHBondContact OE2-CB 3.26Å; E385-H494 IonicContact OE2-CG 2.91Å; E385-H494 IonicContact OE2-ND1 2.93Å; E385-H494 PolarHBondContact OE2-ND1 3.14Å; E385-H494 VanDerWaalsContact OE2-ND1 3.09Å; E385-V498 HydrophobicContact CB-CG2 4.34Å; E385-V498 HydrophobicContact CG-CG2 3.74Å
386	N	97.6	Very high	93.9	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.011	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-35.2	174.9	-169.3	-115.4	0	0	0	113	I382 I383 Y384 I388 D389 I390 L406 L408 T495	I382-N386 VanDerWaalsContact O-CB 3.29Å; I382-N386 WeakPolarHBondContact O-CB 3.35Å; I382-N386 PolarHBondContact O-N 2.81Å; I383-N386 PolarHBondContact O-N 3.4Å; I383-N386 VanDerWaalsContact O-N 3.16Å; Y384-N386 VanDerWaalsContact C-N 3.32Å; Y384-N386 PolarHBondContact O-N 3.07Å; N386-I388 VanDerWaalsContact C-N 3.28Å; N386-I388 PolarHBondContact O-N 2.7Å; N386-D389 PolarHBondContact O-N 3.16Å; N386-I390 VanDerWaalsContact O-CG1 3.24Å; N386-I390 WeakPolarHBondContact O-CG1 3.46Å; N386-I390 PolarHBondContact O-N 3.28Å; N386-I390 WeakPolarHBondContact OD1-CD1 3.26Å; N386-L406 PolarHBondContact ND2-O 2.75Å; N386-L408 HydrophobicContact CB-CB 4.47Å; N386-L408 PolarHBondContact OD1-N 3.29Å; N386-T495 WeakPolarHBondContact CA-OG1 3.07Å; N386-T495 HydrophobicContact CB-CG2 4.23Å; N386-T495 PolarHBondContact ND2-OG1 3.26Å; N386-T495 VanDerWaalsContact ND2-OG1 3.09Å
387	E	96.1	Very high	93.3	Very high	93 Å²	93	66.2 Å²	66.2	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-33.2	172.7	-73.1	-175.3	-178.7	0	0	112.5	I383 Y384 K391	I383-E387 WeakPolarHBondContact O-CG 2.88Å; I383-E387 PolarHBondContact O-N 2.64Å; Y384-E387 PolarHBondContact O-N 3.48Å; E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CG 3.26Å; E387-K391 WeakPolarHBondContact O-CG 3.22Å; E387-K391 PolarHBondContact O-N 3.49Å
388	I	94.5	Very high	92.4	Very high	44 Å²	44	60.1 Å²	60.1	23%	0.226	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-49.4	173.9	-63.7	172.5	0	0	0	109.8	Y384 E385 N386 I390 K391 Q392	Y384-I388 HydrophobicContact CD1-CD1 4.27Å; Y384-I388 HydrophobicContact CE1-CD1 3.71Å; Y384-I388 PolarHBondContact O-N 3.1Å; E385-I388 WeakPolarHBondContact O-CB 3.13Å; E385-I388 PolarHBondContact O-N 3.06Å; N386-I388 VanDerWaalsContact C-N 3.28Å; N386-I388 PolarHBondContact O-N 2.7Å; I388-I390 PolarHBondContact O-N 2.77Å; I388-K391 PolarHBondContact O-N 3.4Å; I388-Q392 WeakPolarHBondContact O-CG 3.29Å; I388-Q392 PolarHBondContact O-N 2.53Å
389	D	93.1	Very high	91.7	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-57	-46.4	176.3	-82.1	-25.9	0	0	0	111.4	E385 N386 Q392 A393 L406 E491 A492 L493 H494 T495	E385-D389 PolarHBondContact O-N 3.45Å; E385-D389 VanDerWaalsContact O-N 3.1Å; N386-D389 PolarHBondContact O-N 3.16Å; D389-Q392 PolarHBondContact O-N 3.1Å; D389-A393 VanDerWaalsContact O-CB 3.24Å; D389-A393 WeakPolarHBondContact O-CB 3.25Å; D389-A393 PolarHBondContact O-N 2.78Å; D389-L406 HydrophobicContact CB-CD2 4.42Å; D389-E491 WeakPolarHBondContact CB-O 3.48Å; D389-A492 WeakPolarHBondContact OD2-CA 3.3Å; D389-L493 PolarHBondContact OD1-N 3.01Å; D389-H494 VanDerWaalsContact OD1-CB 3.27Å; D389-H494 WeakPolarHBondContact OD1-CB 3.46Å; D389-H494 IonicContact OD1-CD2 2.67Å; D389-H494 PolarHBondContact OD1-CD2 3.26Å; D389-H494 VanDerWaalsContact OD1-CD2 3.27Å; D389-H494 IonicContact OD1-CG 2.91Å; D389-H494 PolarHBondContact OD1-N 3.43Å; D389-H494 VanDerWaalsContact OD1-N 3.15Å; D389-H494 PolarHBondContact OD2-N 3.38Å; D389-T495 VanDerWaalsContact OD2-CB 3.26Å; D389-T495 WeakPolarHBondContact OD2-CB 3.33Å; D389-T495 PolarHBondContact OD2-N 3.44Å; D389-T495 PolarHBondContact OD2-OG1 3.15Å
390	I	92.9	Very high	90.8	Very high	28 Å²	28	63.4 Å²	63.4	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-48.5	178.1	-69.3	165.7	0	0	0	111.1	N386 I388 Q392 A393 E394 L403 L406 Q407	N386-I390 VanDerWaalsContact O-CG1 3.24Å; N386-I390 WeakPolarHBondContact O-CG1 3.46Å; N386-I390 PolarHBondContact O-N 3.28Å; N386-I390 WeakPolarHBondContact OD1-CD1 3.26Å; I388-I390 PolarHBondContact O-N 2.77Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.82Å; I390-A393 WeakPolarHBondContact O-CB 3.25Å; I390-A393 PolarHBondContact O-N 2.7Å; I390-E394 HydrophobicContact CG2-CG 4.31Å; I390-E394 WeakPolarHBondContact O-CG 3.02Å; I390-E394 PolarHBondContact O-N 2.62Å; I390-L403 HydrophobicContact CG2-CD2 4.47Å; I390-L406 HydrophobicContact CG1-CD2 4.42Å; I390-L406 HydrophobicContact CG1-CG 4.43Å; I390-Q407 HydrophobicContact CD1-CB 4.04Å; I390-Q407 HydrophobicContact CD1-CG 3.92Å
391	K	91.8	Very high	89.9	Confident	122 Å²	122	61.5 Å²	61.5	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-40.7	-179.7	-75.2	168.8	-173.3	160.5	0	111.9	E387 I388 T395	E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CG 3.26Å; E387-K391 WeakPolarHBondContact O-CG 3.22Å; E387-K391 PolarHBondContact O-N 3.49Å; I388-K391 PolarHBondContact O-N 3.4Å; K391-T395 WeakPolarHBondContact O-CB 3.19Å; K391-T395 PolarHBondContact O-N 3.25Å; K391-T395 PolarHBondContact O-OG1 2.86Å
392	Q	89.2	Confident	89.2	Confident	90 Å²	90	60.5 Å²	60.5	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-43.1	175.3	-71.5	-179.8	10.6	0	0	111.3	I388 D389 I390 T395 A396 H494	I388-Q392 WeakPolarHBondContact O-CG 3.29Å; I388-Q392 PolarHBondContact O-N 2.53Å; D389-Q392 PolarHBondContact O-N 3.1Å; I390-Q392 VanDerWaalsContact C-N 3.32Å; I390-Q392 PolarHBondContact O-N 2.82Å; Q392-T395 PolarHBondContact O-N 3.32Å; Q392-A396 WeakPolarHBondContact O-CB 3.46Å; Q392-A396 PolarHBondContact O-N 3.05Å; Q392-H494 PolarHBondContact NE2-NE2 3.37Å
393	A	87.6	Confident	88.6	Confident	3 Å²	3	61.9 Å²	61.9	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-41.6	177.7	0	0	0	0	0	112.9	D389 I390 A396 G397 I398 L403 L406	D389-A393 VanDerWaalsContact O-CB 3.24Å; D389-A393 WeakPolarHBondContact O-CB 3.25Å; D389-A393 PolarHBondContact O-N 2.78Å; I390-A393 WeakPolarHBondContact O-CB 3.25Å; I390-A393 PolarHBondContact O-N 2.7Å; A393-A396 PolarHBondContact O-N 2.91Å; A393-G397 PolarHBondContact O-N 2.89Å; A393-I398 HydrophobicContact CB-CB 4.26Å; A393-I398 HydrophobicContact CB-CD1 3.75Å; A393-I398 HydrophobicContact CB-CG1 4.25Å; A393-I398 WeakPolarHBondContact O-CB 3.16Å; A393-I398 PolarHBondContact O-N 3.46Å; A393-L403 HydrophobicContact CB-CD2 3.54Å; A393-L406 HydrophobicContact CB-CD2 3.68Å
394	E	87.3	Confident	88	Confident	117 Å²	117	63.5 Å²	63.5	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-45.1	173.8	-75	179.7	162.2	0	0	111.2	I390 A396 G397 L403	I390-E394 HydrophobicContact CG2-CG 4.31Å; I390-E394 WeakPolarHBondContact O-CG 3.02Å; I390-E394 PolarHBondContact O-N 2.62Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 3.4Å; E394-G397 PolarHBondContact O-N 3.04Å; E394-G397 VanDerWaalsContact O-N 3.11Å; E394-L403 HydrophobicContact CG-CD1 3.84Å; E394-L403 HydrophobicContact CG-CD2 3.92Å
395	T	85.3	Confident	87.4	Confident	91 Å²	91	59 Å²	59	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-35.4	178.5	-53.4	0	0	0	0	111.9	K391 Q392 G397	K391-T395 WeakPolarHBondContact O-CB 3.19Å; K391-T395 PolarHBondContact O-N 3.25Å; K391-T395 PolarHBondContact O-OG1 2.86Å; Q392-T395 PolarHBondContact O-N 3.32Å; T395-G397 PolarHBondContact O-N 2.84Å
396	A	82.8	Confident	87.2	Confident	70 Å²	70	57 Å²	57	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.1	176.3	0	0	0	0	0	114	Q392 A393 E394 I398	Q392-A396 WeakPolarHBondContact O-CB 3.46Å; Q392-A396 PolarHBondContact O-N 3.05Å; A393-A396 PolarHBondContact O-N 2.91Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 3.4Å; A396-I398 HydrophobicContact CB-CG1 4.49Å
397	G	85.1	Confident	87	Confident	63 Å²	63	61.9 Å²	61.9	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	28.8	178.1	0	0	0	0	0	114.5	A393 E394 T395	A393-G397 PolarHBondContact O-N 2.89Å; E394-G397 PolarHBondContact O-N 3.04Å; E394-G397 VanDerWaalsContact O-N 3.11Å; T395-G397 PolarHBondContact O-N 2.84Å
398	I	79.5	Confident	86.9	Confident	45 Å²	45	57.9 Å²	57.9	23%	0.231	34%	0.336	C	S	.	.			trans	-62.9	144.1	173.7	-64.8	-169.1	0	0	0	110.1	A393 A396 L402 L403 E491	A393-I398 HydrophobicContact CB-CB 4.26Å; A393-I398 HydrophobicContact CB-CD1 3.75Å; A393-I398 HydrophobicContact CB-CG1 4.25Å; A393-I398 WeakPolarHBondContact O-CB 3.16Å; A393-I398 PolarHBondContact O-N 3.46Å; A396-I398 HydrophobicContact CB-CG1 4.49Å; I398-L402 HydrophobicContact CG2-CB 3.47Å; I398-L402 VanDerWaalsContact CG2-CB 3.47Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 HydrophobicContact CG2-CG 4.39Å; I398-L403 HydrophobicContact CG2-CG 4.36Å; I398-E491 HydrophobicContact CD1-CB 3.52Å; I398-E491 HydrophobicContact CD1-CG 3.99Å
399	S	81.7	Confident	86.9	Confident	60 Å²	60	57.5 Å²	57.5	42%	0.42	34%	0.337	S	S	.	.			trans	-64.6	150.2	-177.5	70.6	0	0	0	0	112.3	I401 L402 L403	S399-I401 PolarHBondContact O-N 3.06Å; S399-I401 VanDerWaalsContact O-N 3.15Å; S399-L402 PolarHBondContact O-N 3.15Å; S399-L402 WeakPolarHBondContact OG-CG 3.4Å; S399-L403 PolarHBondContact O-N 2.97Å
400	S	79.2	Confident	87	Confident	94 Å²	94	62 Å²	62	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-55.8	-33.3	178.7	54.3	0	0	0	0	113.4	L403 A404	S400-L403 PolarHBondContact O-N 2.82Å; S400-A404 WeakPolarHBondContact O-CB 3.4Å; S400-A404 PolarHBondContact O-N 3.14Å
401	I	77.7	Confident	87	Confident	87 Å²	87	64.5 Å²	64.5	45%	0.446	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-42.5	177.3	-60.8	172.5	0	0	0	111.2	S399 R405	S399-I401 PolarHBondContact O-N 3.06Å; S399-I401 VanDerWaalsContact O-N 3.15Å; I401-R405 WeakPolarHBondContact O-CG 3.29Å; I401-R405 PolarHBondContact O-N 3.27Å
402	L	82.4	Confident	87	Confident	48 Å²	48	62.4 Å²	62.4	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-72.7	-38.1	178.1	-69.6	177.5	0	0	0	111	I398 S399 A404 R405 L406 S465	I398-L402 HydrophobicContact CG2-CB 3.47Å; I398-L402 VanDerWaalsContact CG2-CB 3.47Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 HydrophobicContact CG2-CG 4.39Å; S399-L402 PolarHBondContact O-N 3.15Å; S399-L402 WeakPolarHBondContact OG-CG 3.4Å; L402-A404 PolarHBondContact O-N 3.02Å; L402-R405 WeakPolarHBondContact O-CB 3.4Å; L402-R405 PolarHBondContact O-N 2.96Å; L402-R405 VanDerWaalsContact O-N 3.15Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 PolarHBondContact O-N 3.12Å; L402-S465 WeakPolarHBondContact O-CB 3.34Å
403	L	85.5	Confident	87.3	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-44.6	172.6	-76.2	168.5	0	0	0	112.3	I390 A393 E394 I398 S399 S400 R405 L406 Q407	I390-L403 HydrophobicContact CG2-CD2 4.47Å; A393-L403 HydrophobicContact CB-CD2 3.54Å; E394-L403 HydrophobicContact CG-CD1 3.84Å; E394-L403 HydrophobicContact CG-CD2 3.92Å; I398-L403 HydrophobicContact CG2-CG 4.36Å; S399-L403 PolarHBondContact O-N 2.97Å; S400-L403 PolarHBondContact O-N 2.82Å; L403-R405 PolarHBondContact O-N 2.94Å; L403-L406 WeakPolarHBondContact O-CB 3.3Å; L403-L406 PolarHBondContact O-N 3.31Å; L403-L406 VanDerWaalsContact O-N 3.1Å; L403-Q407 PolarHBondContact O-N 2.76Å
404	A	84.1	Confident	87.6	Confident	58 Å²	58	63.7 Å²	63.7	48%	0.479	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-30.6	177.3	0	0	0	0	0	113	S400 L402 K412	S400-A404 WeakPolarHBondContact O-CB 3.4Å; S400-A404 PolarHBondContact O-N 3.14Å; L402-A404 PolarHBondContact O-N 3.02Å; A404-K412 PolarHBondContact O-NZ 3.26Å
405	R	86.3	Confident	87.7	Confident	49 Å²	49	62.6 Å²	62.6	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-75.9	-37	174	-68.2	171.2	173.3	-179	0.7	111.4	I401 L402 L403 Q407 S465 R466 S601	I401-R405 WeakPolarHBondContact O-CG 3.29Å; I401-R405 PolarHBondContact O-N 3.27Å; L402-R405 WeakPolarHBondContact O-CB 3.4Å; L402-R405 PolarHBondContact O-N 2.96Å; L402-R405 VanDerWaalsContact O-N 3.15Å; L403-R405 PolarHBondContact O-N 2.94Å; R405-Q407 VanDerWaalsContact C-N 3.33Å; R405-Q407 PolarHBondContact O-N 2.84Å; R405-S465 CarbonylContact C-O 3.49Å; R405-S465 WeakPolarHBondContact CB-O 3.33Å; R405-S465 VanDerWaalsContact O-O 3.05Å; R405-R466 HydrophobicContact CB-CG 4.19Å; R405-R466 VanDerWaalsContact NH1-NH2 3.2Å; R405-S601 PolarHBondContact NH2-O 3.48Å
406	L	92.4	Very high	88	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-32.2	-179.6	-178.3	60.5	0	0	0	112.6	N386 D389 I390 A393 L402 L403 L408 S465 P467 E491 A492	N386-L406 PolarHBondContact ND2-O 2.75Å; D389-L406 HydrophobicContact CB-CD2 4.42Å; I390-L406 HydrophobicContact CG1-CD2 4.42Å; I390-L406 HydrophobicContact CG1-CG 4.43Å; A393-L406 HydrophobicContact CB-CD2 3.68Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 PolarHBondContact O-N 3.12Å; L403-L406 WeakPolarHBondContact O-CB 3.3Å; L403-L406 PolarHBondContact O-N 3.31Å; L403-L406 VanDerWaalsContact O-N 3.1Å; L406-L408 PolarHBondContact O-N 3Å; L406-S465 WeakPolarHBondContact CA-O 3.43Å; L406-S465 PolarHBondContact N-O 2.97Å; L406-P467 HydrophobicContact CD1-CG 4.38Å; L406-P467 VanDerWaalsContact O-CG 3.24Å; L406-P467 WeakPolarHBondContact O-CG 3.44Å; L406-E491 HydrophobicContact CD1-CG 4.44Å; L406-E491 HydrophobicContact CD2-CG 4.41Å; L406-A492 HydrophobicContact CD1-CB 3.5Å
407	Q	93.1	Very high	88.6	Confident	106 Å²	106	55.7 Å²	55.7	50%	0.495	32%	0.324	S	S	.	.			trans	-68.1	126.7	-174.9	-174.1	179.1	5.9	0	0	113.3	I390 L403 R405 K412	I390-Q407 HydrophobicContact CD1-CB 4.04Å; I390-Q407 HydrophobicContact CD1-CG 3.92Å; L403-Q407 PolarHBondContact O-N 2.76Å; R405-Q407 VanDerWaalsContact C-N 3.33Å; R405-Q407 PolarHBondContact O-N 2.84Å; Q407-K412 WeakPolarHBondContact O-CD 3.25Å; Q407-K412 PolarHBondContact O-NZ 2.76Å
408	L	93.7	Very high	89	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.042	31%	0.314	C	S	.	.			trans	-102	129.8	166	-68.4	179.9	0	0	0	110.1	I382 N386 L406 P467 D468 T495 L499	I382-L408 HydrophobicContact CG2-CD1 3.61Å; N386-L408 HydrophobicContact CB-CB 4.47Å; N386-L408 PolarHBondContact OD1-N 3.29Å; L406-L408 PolarHBondContact O-N 3Å; L408-P467 HydrophobicContact CD1-CB 4.18Å; L408-P467 HydrophobicContact CD1-CG 3.99Å; L408-P467 HydrophobicContact CD2-CG 4.17Å; L408-P467 HydrophobicContact CG-CG 3.8Å; L408-D468 HydrophobicContact CD2-CB 3.87Å; L408-T495 HydrophobicContact CD1-CG2 3.48Å; L408-T495 VanDerWaalsContact CD1-CG2 3.48Å; L408-L499 HydrophobicContact CD1-CD1 4.49Å
409	S	93.9	Very high	89.5	Confident	36 Å²	36	56.1 Å²	56.1	25%	0.252	31%	0.314	S	S	.	.			trans	-110.8	161.5	171.7	62.2	0	0	0	0	110	S411 K412 I413	S409-S411 PolarHBondContact O-N 2.9Å; S409-S411 PolarHBondContact OG-OG 2.76Å; S409-K412 PolarHBondContact O-N 3Å; S409-K412 PolarHBondContact OG-N 3.24Å; S409-K412 VanDerWaalsContact OG-N 3.14Å; S409-I413 PolarHBondContact O-N 2.71Å
410	H	95.8	Very high	90.1	Very high	96 Å²	96	53.3 Å²	53.3	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-49.8	-44.2	171	-70.5	-81.6	0	0	0	112.5	E379 I383 K412 I413 K414	E379-H410 WeakPolarHBondContact OE1-CA 3.19Å; E379-H410 WeakPolarHBondContact OE1-CB 2.78Å; E379-H410 IonicContact OE1-CE1 3.52Å; E379-H410 IonicContact OE1-CG 3.93Å; E379-H410 VanDerWaalsContact OE1-CG 3.27Å; E379-H410 IonicContact OE1-ND1 2.72Å; E379-H410 PolarHBondContact OE1-ND1 3.49Å; E379-H410 IonicContact OE2-ND1 3.72Å; E379-H410 PolarHBondContact OE2-ND1 3.42Å; I383-H410 HydrophobicContact CD1-CB 4.5Å; I383-H410 VanDerWaalsContact CD1-CD2 3.49Å; I383-H410 WeakPolarHBondContact CD1-CD2 3.25Å; I383-H410 WeakPolarHBondContact CD1-CE1 3.2Å; I383-H410 WeakPolarHBondContact CD1-ND1 3.35Å; I383-H410 VanDerWaalsContact CD1-NE2 3.29Å; I383-H410 WeakPolarHBondContact CD1-NE2 3.04Å; H410-K412 PolarHBondContact O-N 3.44Å; H410-I413 PolarHBondContact O-N 3.24Å; H410-K414 PolarHBondContact O-N 3.19Å
411	S	93.3	Very high	90.8	Very high	80 Å²	80	52.4 Å²	52.4	56%	0.559	28%	0.276	S	S	*	.	H	α-helix	trans	-61.7	-42.2	176.2	57	0	0	0	0	113.1	S409 K414 T415	S409-S411 PolarHBondContact O-N 2.9Å; S409-S411 PolarHBondContact OG-OG 2.76Å; S411-K414 PolarHBondContact O-N 3.29Å; S411-T415 PolarHBondContact O-N 3.13Å; S411-T415 PolarHBondContact O-OG1 3.16Å; S411-T415 VanDerWaalsContact O-OG1 3.06Å
412	K	90.4	Very high	91.4	Very high	79 Å²	79	51.7 Å²	51.7	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.9	-80	-174.8	-179.7	-179.1	0	111.5	A404 Q407 S409 H410 K414 T415 L416	A404-K412 PolarHBondContact O-NZ 3.26Å; Q407-K412 WeakPolarHBondContact O-CD 3.25Å; Q407-K412 PolarHBondContact O-NZ 2.76Å; S409-K412 PolarHBondContact O-N 3Å; S409-K412 PolarHBondContact OG-N 3.24Å; S409-K412 VanDerWaalsContact OG-N 3.14Å; H410-K412 PolarHBondContact O-N 3.44Å; K412-K414 VanDerWaalsContact C-N 3.31Å; K412-K414 PolarHBondContact O-N 2.82Å; K412-T415 PolarHBondContact O-N 2.99Å; K412-L416 VanDerWaalsContact O-CB 3.22Å; K412-L416 WeakPolarHBondContact O-CB 3.34Å; K412-L416 PolarHBondContact O-N 3.28Å
413	I	95.5	Very high	91.8	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-41.1	178.5	-66.2	170.1	0	0	0	110.3	L375 E379 I382 I383 S409 H410 L416 S417	L375-I413 HydrophobicContact CB-CG2 4.22Å; E379-I413 HydrophobicContact CG-CB 4.46Å; E379-I413 HydrophobicContact CG-CD1 3.81Å; E379-I413 HydrophobicContact CG-CG2 4.22Å; I382-I413 HydrophobicContact CB-CD1 4.14Å; I382-I413 HydrophobicContact CG2-CD1 3.77Å; I382-I413 HydrophobicContact CG2-CG1 4.49Å; I383-I413 HydrophobicContact CD1-CD1 4.21Å; I383-I413 HydrophobicContact CG1-CD1 3.86Å; S409-I413 PolarHBondContact O-N 2.71Å; H410-I413 PolarHBondContact O-N 3.24Å; I413-L416 WeakPolarHBondContact O-CB 3.47Å; I413-L416 PolarHBondContact O-N 2.98Å; I413-S417 PolarHBondContact O-N 3.36Å
414	K	95.1	Very high	92.2	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-49.8	174.3	-172.8	179	176.7	-175.4	0	112.6	L376 H410 S411 K412 L416 S417 E418	L376-K414 HydrophobicContact CD2-CB 4.43Å; H410-K414 PolarHBondContact O-N 3.19Å; S411-K414 PolarHBondContact O-N 3.29Å; K412-K414 VanDerWaalsContact C-N 3.31Å; K412-K414 PolarHBondContact O-N 2.82Å; K414-L416 PolarHBondContact O-N 2.74Å; K414-S417 WeakPolarHBondContact O-CB 2.99Å; K414-S417 PolarHBondContact O-N 3.45Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CG 3.41Å; K414-E418 PolarHBondContact O-N 3.24Å
415	T	90.1	Very high	92.7	Very high	93 Å²	93	49.7 Å²	49.7	57%	0.571	25%	0.252	S	S	*	.	H	α-helix	trans	-58.2	-39.4	176.2	-59.1	0	0	0	0	111.4	S411 K412 E418 G419	S411-T415 PolarHBondContact O-N 3.13Å; S411-T415 PolarHBondContact O-OG1 3.16Å; S411-T415 VanDerWaalsContact O-OG1 3.06Å; K412-T415 PolarHBondContact O-N 2.99Å; T415-E418 PolarHBondContact O-N 3.31Å; T415-G419 PolarHBondContact O-N 2.7Å
416	L	91.2	Very high	92.8	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-46.9	176.6	-179.1	60	0	0	0	111.6	L375 K412 I413 K414 E418 G419 L420 P471 Q472	L375-L416 HydrophobicContact CD1-CD2 3.98Å; L375-L416 HydrophobicContact CD1-CG 3.91Å; K412-L416 VanDerWaalsContact O-CB 3.22Å; K412-L416 WeakPolarHBondContact O-CB 3.34Å; K412-L416 PolarHBondContact O-N 3.28Å; I413-L416 WeakPolarHBondContact O-CB 3.47Å; I413-L416 PolarHBondContact O-N 2.98Å; K414-L416 PolarHBondContact O-N 2.74Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.45Å; L416-G419 PolarHBondContact O-N 3.17Å; L416-L420 HydrophobicContact CD1-CD1 3.77Å; L416-L420 HydrophobicContact CG-CD1 4.22Å; L416-L420 WeakPolarHBondContact O-CD1 3.36Å; L416-L420 PolarHBondContact O-N 3.07Å; L416-P471 HydrophobicContact CD1-CB 4.3Å; L416-P471 HydrophobicContact CD2-CB 4Å; L416-P471 HydrophobicContact CD2-CG 3.87Å; L416-P471 HydrophobicContact CG-CB 4.34Å; L416-Q472 HydrophobicContact CD1-CG 3.32Å
417	S	95.2	Very high	92.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-44.9	174.5	-177.1	0	0	0	0	111.7	A372 I413 K414 L420 R421	A372-S417 WeakPolarHBondContact CB-OG 3.5Å; A372-S417 PolarHBondContact O-OG 2.94Å; I413-S417 PolarHBondContact O-N 3.36Å; K414-S417 WeakPolarHBondContact O-CB 2.99Å; K414-S417 PolarHBondContact O-N 3.45Å; S417-L420 PolarHBondContact O-N 3Å; S417-R421 WeakPolarHBondContact O-CG 3.47Å; S417-R421 PolarHBondContact O-N 3.36Å; S417-R421 VanDerWaalsContact O-N 3.13Å
418	E	92.8	Very high	92.7	Very high	95 Å²	95	47.5 Å²	47.5	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-43.3	176.8	-70.9	171.8	-177.1	0	0	112.2	K414 T415 L416 L420 R421 Q422	K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CG 3.41Å; K414-E418 PolarHBondContact O-N 3.24Å; T415-E418 PolarHBondContact O-N 3.31Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.45Å; E418-L420 PolarHBondContact O-N 2.91Å; E418-R421 PolarHBondContact O-N 2.85Å; E418-Q422 WeakPolarHBondContact O-CG 3.46Å; E418-Q422 PolarHBondContact O-N 2.71Å; E418-Q422 VanDerWaalsContact O-N 3.08Å
419	G	90.1	Very high	92.5	Very high	21 Å²	21	55.8 Å²	55.8	22%	0.216	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-40.7	175.6	0	0	0	0	0	112.9	T415 L416 R421 Q422 I423	T415-G419 PolarHBondContact O-N 2.7Å; L416-G419 PolarHBondContact O-N 3.17Å; G419-R421 VanDerWaalsContact C-N 3.35Å; G419-R421 PolarHBondContact O-N 3.37Å; G419-Q422 WeakPolarHBondContact O-CB 3.21Å; G419-Q422 PolarHBondContact O-N 3.13Å; G419-I423 PolarHBondContact O-N 3.32Å
420	L	93.7	Very high	92.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-43.1	174.6	-94.6	64.5	0	0	0	111.9	I368 L371 A372 L375 L416 S417 E418 Q422 I423 A424 P471 A475	I368-L420 HydrophobicContact CG2-CB 3.96Å; I368-L420 HydrophobicContact CG2-CG 4.2Å; I368-L420 WeakPolarHBondContact CG2-O 3.4Å; L371-L420 HydrophobicContact CB-CD2 4.08Å; L371-L420 HydrophobicContact CD2-CD2 3.56Å; L371-L420 HydrophobicContact CG-CD2 3.54Å; A372-L420 HydrophobicContact CB-CB 3.99Å; L375-L420 HydrophobicContact CD1-CD2 3.98Å; L416-L420 HydrophobicContact CD1-CD1 3.77Å; L416-L420 HydrophobicContact CG-CD1 4.22Å; L416-L420 WeakPolarHBondContact O-CD1 3.36Å; L416-L420 PolarHBondContact O-N 3.07Å; S417-L420 PolarHBondContact O-N 3Å; E418-L420 PolarHBondContact O-N 2.91Å; L420-Q422 VanDerWaalsContact C-N 3.29Å; L420-Q422 PolarHBondContact O-N 3.08Å; L420-I423 WeakPolarHBondContact O-CB 3.43Å; L420-I423 PolarHBondContact O-N 3.46Å; L420-A424 PolarHBondContact O-N 2.96Å; L420-P471 HydrophobicContact CD1-CB 4.43Å; L420-P471 HydrophobicContact CD2-CB 4.34Å; L420-A475 HydrophobicContact CD1-CB 4.23Å; L420-A475 HydrophobicContact CD2-CB 4.38Å; L420-A475 HydrophobicContact CG-CB 3.76Å
421	R	94.6	Very high	91.7	Very high	76 Å²	76	62.6 Å²	62.6	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-34.4	176.3	-66.8	-171.8	-172	-77.5	6.4	112.8	D369 A372 D373 S417 E418 G419 A424 N425	D369-R421 IonicContact OD1-NH1 2.81Å; D369-R421 PolarHBondContact OD1-NH1 3.41Å; A372-R421 HydrophobicContact CB-CG 3.93Å; D373-R421 IonicContact OD1-CZ 3.76Å; D373-R421 IonicContact OD1-NH1 3.8Å; D373-R421 IonicContact OD1-NH2 3.98Å; D373-R421 PolarHBondContact OD1-NH2 2.89Å; S417-R421 WeakPolarHBondContact O-CG 3.47Å; S417-R421 PolarHBondContact O-N 3.36Å; S417-R421 VanDerWaalsContact O-N 3.13Å; E418-R421 PolarHBondContact O-N 2.85Å; G419-R421 VanDerWaalsContact C-N 3.35Å; G419-R421 PolarHBondContact O-N 3.37Å; R421-A424 PolarHBondContact O-N 2.98Å; R421-N425 WeakPolarHBondContact O-CB 3.44Å; R421-N425 PolarHBondContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.95Å; R421-N425 VanDerWaalsContact O-ND2 3.16Å
422	Q	91.2	Very high	91.4	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-45.8	174.2	-70.5	178	-3.7	0	0	110.8	E418 G419 L420 A424 N425 E426	E418-Q422 WeakPolarHBondContact O-CG 3.46Å; E418-Q422 PolarHBondContact O-N 2.71Å; E418-Q422 VanDerWaalsContact O-N 3.08Å; G419-Q422 WeakPolarHBondContact O-CB 3.21Å; G419-Q422 PolarHBondContact O-N 3.13Å; L420-Q422 VanDerWaalsContact C-N 3.29Å; L420-Q422 PolarHBondContact O-N 3.08Å; Q422-A424 VanDerWaalsContact C-N 3.34Å; Q422-A424 PolarHBondContact O-N 3.48Å; Q422-N425 PolarHBondContact O-N 2.82Å; Q422-E426 WeakPolarHBondContact O-CB 3.22Å; Q422-E426 WeakPolarHBondContact O-CG 3.42Å; Q422-E426 PolarHBondContact O-N 3.15Å
423	I	91	Very high	91.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-46.6	175.2	-60.4	166	0	0	0	110.8	I368 G419 L420 N425 E426 S427 A475 L476 A479 A731	I368-I423 HydrophobicContact CD1-CG2 4.11Å; G419-I423 PolarHBondContact O-N 3.32Å; L420-I423 WeakPolarHBondContact O-CB 3.43Å; L420-I423 PolarHBondContact O-N 3.46Å; I423-N425 PolarHBondContact O-N 3.46Å; I423-E426 PolarHBondContact O-N 2.86Å; I423-S427 WeakPolarHBondContact O-CB 3.16Å; I423-S427 PolarHBondContact O-N 2.86Å; I423-A475 HydrophobicContact CD1-CB 3.88Å; I423-L476 HydrophobicContact CD1-CD2 3.97Å; I423-L476 HydrophobicContact CD1-CG 4.02Å; I423-L476 HydrophobicContact CG1-CD2 4.29Å; I423-L476 HydrophobicContact CG2-CD2 4.45Å; I423-A479 HydrophobicContact CG2-CB 3.69Å; I423-A731 HydrophobicContact CD1-CB 3.8Å; I423-A731 HydrophobicContact CG1-CB 4.12Å
424	A	93.7	Very high	91.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-46.2	178.3	0	0	0	0	0	112.2	A365 I368 L420 R421 Q422 S427 R428	A365-A424 HydrophobicContact CB-CB 4.27Å; I368-A424 HydrophobicContact CB-CB 4.11Å; I368-A424 HydrophobicContact CG2-CB 4.02Å; L420-A424 PolarHBondContact O-N 2.96Å; R421-A424 PolarHBondContact O-N 2.98Å; Q422-A424 VanDerWaalsContact C-N 3.34Å; Q422-A424 PolarHBondContact O-N 3.48Å; A424-S427 WeakPolarHBondContact O-CB 3.22Å; A424-S427 PolarHBondContact O-N 3.04Å; A424-R428 WeakPolarHBondContact O-CG 3.07Å; A424-R428 PolarHBondContact O-N 3.48Å
425	N	93.1	Very high	91.3	Very high	89 Å²	89	54.3 Å²	54.3	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-39.3	179.8	-73.5	-28.5	0	0	0	112.7	R421 Q422 I423 R428 K429	R421-N425 WeakPolarHBondContact O-CB 3.44Å; R421-N425 PolarHBondContact O-N 3.15Å; R421-N425 PolarHBondContact O-ND2 2.95Å; R421-N425 VanDerWaalsContact O-ND2 3.16Å; Q422-N425 PolarHBondContact O-N 2.82Å; I423-N425 PolarHBondContact O-N 3.46Å; N425-R428 PolarHBondContact O-N 2.77Å; N425-R428 PolarHBondContact OD1-NH1 3.45Å; N425-K429 WeakPolarHBondContact O-CB 3.48Å; N425-K429 PolarHBondContact O-N 3.47Å
426	E	89.4	Confident	91.4	Very high	47 Å²	47	52 Å²	52	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-41.9	174.3	-77.7	-160.8	-169.7	0	0	112.3	Q422 I423 R428 K429 R430	Q422-E426 WeakPolarHBondContact O-CB 3.22Å; Q422-E426 WeakPolarHBondContact O-CG 3.42Å; Q422-E426 PolarHBondContact O-N 3.15Å; I423-E426 PolarHBondContact O-N 2.86Å; E426-R428 VanDerWaalsContact C-N 3.34Å; E426-R428 PolarHBondContact O-N 3.4Å; E426-K429 PolarHBondContact O-N 3.39Å; E426-R430 PolarHBondContact O-N 3.08Å; E426-R430 IonicContact OE2-CZ 2.84Å; E426-R430 IonicContact OE2-NH1 3.36Å; E426-R430 PolarHBondContact OE2-NH1 3.38Å
427	S	90.3	Very high	91.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-46.3	174.3	-177.3	0	0	0	0	110.8	I423 A424 R430 H431 G432 H433	I423-S427 WeakPolarHBondContact O-CB 3.16Å; I423-S427 PolarHBondContact O-N 2.86Å; A424-S427 WeakPolarHBondContact O-CB 3.22Å; A424-S427 PolarHBondContact O-N 3.04Å; S427-R430 PolarHBondContact O-N 3.46Å; S427-H431 PolarHBondContact O-N 2.67Å; S427-G432 PolarHBondContact O-N 2.98Å; S427-H433 WeakPolarHBondContact CA-NE2 3.37Å
428	R	92.8	Very high	91.6	Very high	63 Å²	63	57.4 Å²	57.4	24%	0.238	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-48.2	175.4	-69.6	-173.8	-176.3	99.1	4.7	112.6	E362 A365 D369 A424 N425 E426 R430 H431	E362-R428 IonicContact OE1-CZ 2.67Å; E362-R428 IonicContact OE1-NE 2.72Å; E362-R428 PolarHBondContact OE1-NE 3.43Å; E362-R428 IonicContact OE1-NH2 3.74Å; E362-R428 PolarHBondContact OE1-NH2 3.25Å; E362-R428 WeakPolarHBondContact OE2-CG 3.39Å; E362-R428 IonicContact OE2-NE 3.79Å; E362-R428 PolarHBondContact OE2-NE 2.8Å; A365-R428 HydrophobicContact CB-CG 3.85Å; D369-R428 IonicContact OD2-CZ 3.64Å; D369-R428 IonicContact OD2-NH1 2.76Å; D369-R428 PolarHBondContact OD2-NH1 3.47Å; D369-R428 IonicContact OD2-NH2 2.63Å; D369-R428 PolarHBondContact OD2-NH2 2.83Å; A424-R428 WeakPolarHBondContact O-CG 3.07Å; A424-R428 PolarHBondContact O-N 3.48Å; N425-R428 PolarHBondContact O-N 2.77Å; N425-R428 PolarHBondContact OD1-NH1 3.45Å; E426-R428 VanDerWaalsContact C-N 3.34Å; E426-R428 PolarHBondContact O-N 3.4Å; R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 2.7Å; R428-H431 PolarHBondContact O-N 3.25Å
429	K	89.4	Confident	91.8	Very high	181 Å²	181	54.7 Å²	54.7	79%	0.787	27%	0.267	S	S	*	.	H	α-helix	trans	-58.2	-38.3	-178.3	-176.2	-179.5	177.1	-175.9	0	112.3	N425 E426 H431	N425-K429 WeakPolarHBondContact O-CB 3.48Å; N425-K429 PolarHBondContact O-N 3.47Å; E426-K429 PolarHBondContact O-N 3.39Å; K429-H431 VanDerWaalsContact C-N 3.33Å
430	R	84.7	Confident	92.1	Very high	113 Å²	113	58 Å²	58	43%	0.426	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.5	178.7	-67.1	-172.5	177.3	104.8	-14.2	113.8	E426 S427 R428 G432 E749	E426-R430 PolarHBondContact O-N 3.08Å; E426-R430 IonicContact OE2-CZ 2.84Å; E426-R430 IonicContact OE2-NH1 3.36Å; E426-R430 PolarHBondContact OE2-NH1 3.38Å; S427-R430 PolarHBondContact O-N 3.46Å; R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 2.7Å; R430-G432 CarbonylContact C-O 3.54Å; R430-G432 PolarHBondContact O-N 3.42Å; R430-E749 IonicContact NH2-OE1 2.78Å
431	H	88	Confident	92.3	Very high	163 Å²	163	59.1 Å²	59.1	76%	0.755	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	38.8	-169.2	-55.4	84.1	0	0	0	112.4	P361 S427 R428 K429	P361-H431 WeakPolarHBondContact CG-O 3.25Å; S427-H431 PolarHBondContact O-N 2.67Å; R428-H431 PolarHBondContact O-N 3.25Å; K429-H431 VanDerWaalsContact C-N 3.33Å
432	G	88.3	Confident	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.277	C	S	.	.			trans	92	166.4	-173.8	0	0	0	0	0	113.4	S427 R430 C436	S427-G432 PolarHBondContact O-N 2.98Å; R430-G432 CarbonylContact C-O 3.54Å; R430-G432 PolarHBondContact O-N 3.42Å; G432-C436 PolarHBondContact O-SG 3.41Å; G432-C436 VanDerWaalsContact O-SG 3.36Å
433	H	92.1	Very high	92.7	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.042	27%	0.268	C	S	.	.	S	Bend	trans	-104.4	-13.5	176.2	-53.6	-79.3	0	0	0	112.8	S427 C436 T453 V748 L752	S427-H433 WeakPolarHBondContact CA-NE2 3.37Å; H433-C436 VanDerWaalsContact C-SG 3.58Å; H433-T453 WeakPolarHBondContact O-CB 3.5Å; H433-T453 PolarHBondContact O-OG1 2.81Å; H433-V748 HydrophobicContact CB-CG1 3.65Å; H433-V748 WeakPolarHBondContact ND1-CG1 3.5Å; H433-L752 HydrophobicContact CB-CD1 3.94Å; H433-L752 VanDerWaalsContact O-CD1 3.26Å; H433-L752 WeakPolarHBondContact O-CD1 3.22Å
434	V	93.6	Very high	93	Very high	10 Å²	10	55.5 Å²	55.5	6%	0.061	27%	0.267	C	S	.	.	S	Bend	trans	-104.9	143.8	-173.6	-171.7	0	0	0	0	109.2	N357 C436 T480 A481 L752	N357-V434 WeakPolarHBondContact OD1-CG1 3.45Å; V434-C436 PolarHBondContact O-N 3.26Å; V434-T480 WeakPolarHBondContact CG2-O 3.5Å; V434-A481 HydrophobicContact CG2-CB 3.92Å; V434-L752 HydrophobicContact CG2-CD2 3.95Å
435	N	92.5	Very high	92.9	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	29%	0.294	S	S	.	.	S	Bend	trans	65.5	19.5	-175.5	-55	-55.2	0	0	0	114.5	I452 T453	N435-I452 HydrophobicContact CB-CD1 4.45Å; N435-I452 WeakPolarHBondContact OD1-CD1 3.28Å; N435-T453 WeakPolarHBondContact CA-O 3.5Å; N435-T453 PolarHBondContact N-O 3.24Å; N435-T453 PolarHBondContact N-OG1 2.97Å
436	C	92.9	Very high	93	Very high	43 Å²	43	61.6 Å²	61.6	29%	0.291	30%	0.3	S	S	.	.			trans	-71.9	131	173.4	-58.8	0	0	0	0	109.8	G432 H433 V434 L438 I452 T453	G432-C436 PolarHBondContact O-SG 3.41Å; G432-C436 VanDerWaalsContact O-SG 3.36Å; H433-C436 VanDerWaalsContact C-SG 3.58Å; V434-C436 PolarHBondContact O-N 3.26Å; C436-L438 PolarHBondContact O-N 3.48Å; C436-I452 CarbonylContact O-C 3.3Å; C436-I452 WeakPolarHBondContact O-CA 3.44Å; C436-T453 HydrophobicContact CB-CG2 4.15Å; C436-T453 WeakPolarHBondContact CB-OG1 3.48Å; C436-T453 PolarHBondContact N-OG1 3.01Å; C436-T453 PolarHBondContact O-N 2.69Å
437	V	94.6	Very high	93.3	Very high	51 Å²	51	60 Å²	60	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.7	179.4	-177.6	0	0	0	0	109.5	S439 R440 I452 I782	V437-S439 WeakPolarHBondContact CG1-O 3.43Å; V437-R440 HydrophobicContact CG1-CB 4.35Å; V437-I452 HydrophobicContact CG2-CG2 4.09Å; V437-I782 HydrophobicContact CB-CG2 3.75Å; V437-I782 HydrophobicContact CG1-CG2 3.81Å; V437-I782 VanDerWaalsContact O-CG2 3.24Å; V437-I782 WeakPolarHBondContact O-CG2 3.48Å
438	L	94.9	Very high	93.7	Very high	81 Å²	81	61.7 Å²	61.7	42%	0.424	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-31.8	178.4	-60.5	178.8	0	0	0	112.3	C436 K451 T453 T754 I782	C436-L438 PolarHBondContact O-N 3.48Å; L438-K451 HydrophobicContact CB-CB 4.46Å; L438-K451 HydrophobicContact CB-CG 4.48Å; L438-K451 PolarHBondContact N-O 3.24Å; L438-T453 HydrophobicContact CD1-CG2 4.02Å; L438-T453 HydrophobicContact CD2-CG2 3.9Å; L438-T453 HydrophobicContact CG-CG2 4.04Å; L438-T754 HydrophobicContact CD1-CG2 3.53Å; L438-I782 WeakPolarHBondContact O-CD1 3.28Å
439	S	96.6	Very high	93.9	Very high	37 Å²	37	60.1 Å²	60.1	26%	0.259	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.7	172.2	70.4	0	0	0	0	110.8	V437 K450 K451	V437-S439 WeakPolarHBondContact CG1-O 3.43Å; S439-K450 WeakPolarHBondContact O-CA 3.35Å; S439-K451 PolarHBondContact N-O 3.06Å; S439-K451 PolarHBondContact O-N 3.19Å; S439-K451 VanDerWaalsContact OG-CB 3.24Å; S439-K451 WeakPolarHBondContact OG-CB 3.42Å
440	R	97.4	Very high	94.3	Very high	90 Å²	90	54.5 Å²	54.5	34%	0.34	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.2	178.2	-168.3	175.5	171.1	-134.3	-3.2	108.8	V437 I448 L449 K450 L780	V437-R440 HydrophobicContact CG1-CB 4.35Å; R440-I448 HydrophobicContact CG-CG2 4.14Å; R440-L449 CarbonylContact C-O 3.52Å; R440-L449 WeakPolarHBondContact CA-O 3.43Å; R440-K450 HydrophobicContact CG-CG 4.06Å; R440-L780 HydrophobicContact CB-CB 4.18Å; R440-L780 HydrophobicContact CG-CB 4.01Å; R440-L780 HydrophobicContact CG-CD1 4.17Å; R440-L780 PolarHBondContact O-N 3.03Å
441	T	97.7	Very high	94.9	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.153	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.5	-174.3	-51.3	0	0	0	0	109.7	L443 L449 E778	T441-L443 HydrophobicContact CG2-CD2 4.01Å; T441-L443 PolarHBondContact O-N 3.14Å; T441-L449 PolarHBondContact N-O 3.27Å; T441-L449 PolarHBondContact O-N 3.28Å; T441-E778 CarbonylContact C-O 3.45Å; T441-E778 WeakPolarHBondContact CA-O 3.46Å
442	K	97.5	Very high	95.3	Very high	50 Å²	50	44.9 Å²	44.9	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	103.1	167.1	-174.3	-179.1	-176.5	-163.3	0	107.9	A444 D445 I448 L776 H777 E778 L780	K442-A444 VanDerWaalsContact CG-O 3.29Å; K442-A444 WeakPolarHBondContact CG-O 3.08Å; K442-D445 VanDerWaalsContact CE-OD1 3.24Å; K442-D445 WeakPolarHBondContact CE-OD1 3.49Å; K442-D445 IonicContact NZ-OD1 2.73Å; K442-D445 PolarHBondContact NZ-OD1 2.83Å; K442-I448 HydrophobicContact CB-CD1 3.84Å; K442-I448 HydrophobicContact CG-CD1 3.73Å; K442-L776 HydrophobicContact CD-CD1 3.8Å; K442-L776 VanDerWaalsContact CE-CD1 3.5Å; K442-L776 HydrophobicContact CG-CD1 4.11Å; K442-H777 CarbonylContact O-C 3.59Å; K442-H777 WeakPolarHBondContact O-CA 3.18Å; K442-H777 PolarHBondContact O-N 3.16Å; K442-H777 VanDerWaalsContact O-N 3.08Å; K442-E778 HydrophobicContact CB-CB 4.27Å; K442-E778 PolarHBondContact N-O 3.38Å; K442-E778 PolarHBondContact O-N 2.98Å; K442-L780 HydrophobicContact CB-CD1 4.07Å; K442-L780 HydrophobicContact CB-CD2 4.31Å; K442-L780 HydrophobicContact CB-CG 4.17Å
443	L	97	Very high	95.7	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-36.5	178	-66.1	-175.8	0	0	0	111.3	T441 L447 L449 L758 Y775 L776 H777	T441-L443 HydrophobicContact CG2-CD2 4.01Å; T441-L443 PolarHBondContact O-N 3.14Å; L443-L447 HydrophobicContact CB-CD2 4.01Å; L443-L447 HydrophobicContact CB-CG 4.14Å; L443-L447 PolarHBondContact N-O 2.78Å; L443-L449 HydrophobicContact CD1-CB 3.95Å; L443-L449 HydrophobicContact CD1-CD2 4.24Å; L443-L449 HydrophobicContact CD2-CD2 4.4Å; L443-L449 HydrophobicContact CG-CB 3.95Å; L443-L758 HydrophobicContact CD1-CD1 3.8Å; L443-Y775 CarbonylContact O-C 3.56Å; L443-Y775 WeakPolarHBondContact O-CA 3.36Å; L443-L776 PolarHBondContact O-N 2.59Å; L443-H777 WeakPolarHBondContact CD2-ND1 3.26Å
444	A	96.1	Very high	95.9	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	-179.6	174.1	0	0	0	0	0	109.4	K442 N446 L447 F768	K442-A444 VanDerWaalsContact CG-O 3.29Å; K442-A444 WeakPolarHBondContact CG-O 3.08Å; A444-N446 PolarHBondContact O-N 2.82Å; A444-L447 HydrophobicContact CB-CB 3.98Å; A444-L447 HydrophobicContact CB-CD2 4.26Å; A444-L447 PolarHBondContact N-O 3.17Å; A444-L447 PolarHBondContact O-N 2.77Å; A444-L447 VanDerWaalsContact O-N 3.08Å; A444-F768 HydrophobicContact CB-CE1 3.78Å; A444-F768 HydrophobicContact CB-CZ 3.91Å
445	D	92.5	Very high	96	Very high	104 Å²	104	46.2 Å²	46.2	56%	0.556	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130	170.4	-72.1	-29.8	0	0	0	110.8	K442 L447 Q763	K442-D445 VanDerWaalsContact CE-OD1 3.24Å; K442-D445 WeakPolarHBondContact CE-OD1 3.49Å; K442-D445 IonicContact NZ-OD1 2.73Å; K442-D445 PolarHBondContact NZ-OD1 2.83Å; D445-L447 PolarHBondContact O-N 3.14Å; D445-L447 VanDerWaalsContact O-N 3.12Å; D445-Q763 PolarHBondContact O-NE2 3Å; D445-Q763 VanDerWaalsContact O-NE2 3.1Å
446	N	93.9	Very high	96.2	Very high	113 Å²	113	43.6 Å²	43.6	60%	0.604	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	22.7	-173.4	-58	-24.2	0	0	0	115.1	A444 G760 D761 Q763	A444-N446 PolarHBondContact O-N 2.82Å; N446-G760 WeakPolarHBondContact O-CA 3.44Å; N446-D761 HydrophobicContact CB-CB 4.11Å; N446-Q763 PolarHBondContact O-NE2 3.1Å; N446-Q763 VanDerWaalsContact O-NE2 3.1Å
447	L	97	Very high	96.4	Very high	14 Å²	14	42 Å²	42	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	97.9	177.1	-169.7	65.7	0	0	0	110.3	L443 A444 D445 L758 H759 F768	L443-L447 HydrophobicContact CB-CD2 4.01Å; L443-L447 HydrophobicContact CB-CG 4.14Å; L443-L447 PolarHBondContact N-O 2.78Å; A444-L447 HydrophobicContact CB-CB 3.98Å; A444-L447 HydrophobicContact CB-CD2 4.26Å; A444-L447 PolarHBondContact N-O 3.17Å; A444-L447 PolarHBondContact O-N 2.77Å; A444-L447 VanDerWaalsContact O-N 3.08Å; D445-L447 PolarHBondContact O-N 3.14Å; D445-L447 VanDerWaalsContact O-N 3.12Å; L447-L758 HydrophobicContact CD1-CD1 3.71Å; L447-L758 HydrophobicContact CD1-CD2 4.12Å; L447-L758 HydrophobicContact CD1-CG 3.88Å; L447-L758 HydrophobicContact CG-CD1 3.92Å; L447-H759 CarbonylContact C-O 3.6Å; L447-H759 WeakPolarHBondContact CA-O 3.3Å; L447-F768 HydrophobicContact CD2-CE2 4.32Å; L447-F768 HydrophobicContact CD2-CZ 3.79Å
448	I	97.4	Very high	96.5	Very high	34 Å²	34	39.5 Å²	39.5	17%	0.174	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.7	-172.3	-53.6	-59.7	0	0	0	110.4	R440 K442 H759 L780	R440-I448 HydrophobicContact CG-CG2 4.14Å; K442-I448 HydrophobicContact CB-CD1 3.84Å; K442-I448 HydrophobicContact CG-CD1 3.73Å; I448-H759 PolarHBondContact N-O 3.26Å; I448-H759 PolarHBondContact O-N 2.81Å; I448-L780 HydrophobicContact CD1-CD1 4.03Å; I448-L780 HydrophobicContact CG2-CD1 4.47Å
449	L	98	Very high	96.6	Very high	31 Å²	31	35.7 Å²	35.7	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.5	172.4	-175.6	65.6	0	0	0	110.1	R440 T441 L443 W756 I757 L758	R440-L449 CarbonylContact C-O 3.52Å; R440-L449 WeakPolarHBondContact CA-O 3.43Å; T441-L449 PolarHBondContact N-O 3.27Å; T441-L449 PolarHBondContact O-N 3.28Å; L443-L449 HydrophobicContact CD1-CB 3.95Å; L443-L449 HydrophobicContact CD1-CD2 4.24Å; L443-L449 HydrophobicContact CD2-CD2 4.4Å; L443-L449 HydrophobicContact CG-CB 3.95Å; L449-W756 HydrophobicContact CD1-CB 4.32Å; L449-W756 HydrophobicContact CD1-CE3 3.85Å; L449-W756 HydrophobicContact CD2-CE3 3.68Å; L449-W756 HydrophobicContact CD2-CZ3 3.64Å; L449-W756 HydrophobicContact CG-CE3 3.73Å; L449-W756 HydrophobicContact CG-CZ3 4.04Å; L449-I757 CarbonylContact C-O 3.54Å; L449-L758 HydrophobicContact CB-CD1 4.01Å; L449-L758 HydrophobicContact CD1-CB 4.14Å; L449-L758 HydrophobicContact CD1-CD1 4.16Å
450	K	97.5	Very high	96.7	Very high	63 Å²	63	33.9 Å²	33.9	27%	0.274	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.8	170.4	-65.3	174	-176.1	173	0	109.4	S439 R440 I452 W756 I757	S439-K450 WeakPolarHBondContact O-CA 3.35Å; R440-K450 HydrophobicContact CG-CG 4.06Å; K450-I452 HydrophobicContact CB-CG2 4.34Å; K450-W756 CarbonylContact O-C 3.59Å; K450-W756 WeakPolarHBondContact O-CA 3.27Å; K450-I757 PolarHBondContact N-O 2.96Å; K450-I757 PolarHBondContact O-N 3.28Å
451	K	97.7	Very high	96.6	Very high	63 Å²	63	29.7 Å²	29.7	27%	0.274	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	161.1	-168	-177.7	-175.7	-175.8	0	107.7	L438 S439 T754 W756	L438-K451 HydrophobicContact CB-CB 4.46Å; L438-K451 HydrophobicContact CB-CG 4.48Å; L438-K451 PolarHBondContact N-O 3.24Å; S439-K451 PolarHBondContact N-O 3.06Å; S439-K451 PolarHBondContact O-N 3.19Å; S439-K451 VanDerWaalsContact OG-CB 3.24Å; S439-K451 WeakPolarHBondContact OG-CB 3.42Å; K451-T754 VanDerWaalsContact CE-CB 3.48Å; K451-T754 WeakPolarHBondContact CE-OG1 3.36Å; K451-W756 HydrophobicContact CB-CD2 4.22Å; K451-W756 HydrophobicContact CB-CE3 3.8Å; K451-W756 HydrophobicContact CB-CH2 4.11Å; K451-W756 HydrophobicContact CB-CZ2 4.45Å; K451-W756 HydrophobicContact CB-CZ3 3.75Å; K451-W756 HydrophobicContact CD-CH2 3.9Å; K451-W756 HydrophobicContact CD-CZ2 3.72Å; K451-W756 HydrophobicContact CD-CZ3 4.41Å; K451-W756 HydrophobicContact CG-CD2 4.17Å; K451-W756 HydrophobicContact CG-CE3 4.25Å; K451-W756 HydrophobicContact CG-CH2 4.26Å; K451-W756 HydrophobicContact CG-CZ2 4.13Å; K451-W756 HydrophobicContact CG-CZ3 4.31Å
452	I	96.2	Very high	96.4	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.2	179.7	65.5	164.8	0	0	0	111.5	N435 C436 V437 K450 T754 K755 I757	N435-I452 HydrophobicContact CB-CD1 4.45Å; N435-I452 WeakPolarHBondContact OD1-CD1 3.28Å; C436-I452 CarbonylContact O-C 3.3Å; C436-I452 WeakPolarHBondContact O-CA 3.44Å; V437-I452 HydrophobicContact CG2-CG2 4.09Å; K450-I452 HydrophobicContact CB-CG2 4.34Å; I452-T754 CarbonylContact O-C 3.58Å; I452-T754 WeakPolarHBondContact O-CA 3.4Å; I452-T754 WeakPolarHBondContact O-CB 3.29Å; I452-K755 HydrophobicContact CG1-CB 4.06Å; I452-K755 WeakPolarHBondContact CG1-O 3.06Å; I452-K755 PolarHBondContact N-O 3.42Å; I452-K755 PolarHBondContact O-N 3.47Å; I452-I757 HydrophobicContact CD1-CD1 3.49Å; I452-I757 VanDerWaalsContact CD1-CD1 3.49Å; I452-I757 HydrophobicContact CD1-CG1 4.28Å; I452-I757 HydrophobicContact CG1-CD1 4.17Å; I452-I757 HydrophobicContact CG1-CG1 4.49Å
453	T	96.2	Very high	96.2	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.9	165.4	60.3	0	0	0	0	110.8	H433 N435 C436 L438 T753	H433-T453 WeakPolarHBondContact O-CB 3.5Å; H433-T453 PolarHBondContact O-OG1 2.81Å; N435-T453 WeakPolarHBondContact CA-O 3.5Å; N435-T453 PolarHBondContact N-O 3.24Å; N435-T453 PolarHBondContact N-OG1 2.97Å; C436-T453 HydrophobicContact CB-CG2 4.15Å; C436-T453 WeakPolarHBondContact CB-OG1 3.48Å; C436-T453 PolarHBondContact N-OG1 3.01Å; C436-T453 PolarHBondContact O-N 2.69Å; L438-T453 HydrophobicContact CD1-CG2 4.02Å; L438-T453 HydrophobicContact CD2-CG2 3.9Å; L438-T453 HydrophobicContact CG-CG2 4.04Å; T453-T753 CarbonylContact C-O 3.52Å; T453-T753 WeakPolarHBondContact CA-O 3.29Å
454	A	96.2	Very high	95.8	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.7	177.7	0	0	0	0	0	109.5	L752 T753 K755	A454-L752 CarbonylContact O-C 3.56Å; A454-L752 WeakPolarHBondContact O-CA 3.47Å; A454-T753 HydrophobicContact CB-CG2 4.21Å; A454-T753 PolarHBondContact N-O 2.85Å; A454-T753 PolarHBondContact O-N 2.71Å; A454-K755 HydrophobicContact CB-CB 4.13Å
455	P	96.9	Very high	95.4	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.123	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	151.8	171.3	28.9	-35.1	0	0	0	109.9	N357 G457 T480 A481 N482 T753	N357-P455 HydrophobicContact CB-CG 4.17Å; P455-G457 VanDerWaalsContact C-N 3.31Å; P455-T480 WeakPolarHBondContact CB-O 3.38Å; P455-A481 HydrophobicContact CB-CB 4.48Å; P455-A481 WeakPolarHBondContact CB-O 3.47Å; P455-N482 WeakPolarHBondContact CB-OD1 3.34Å; P455-T753 WeakPolarHBondContact O-CG2 3.25Å
456	I	96.6	Very high	95.2	Very high	32 Å²	32	25.9 Å²	25.9	16%	0.164	13%	0.131	C	C	.	.			trans	-64.5	-41	170.7	-72.6	174.7	0	0	0	110	L459 N482 D540 L541 L751	I456-L459 HydrophobicContact CB-CD2 4.17Å; I456-L459 HydrophobicContact CD1-CD2 4.37Å; I456-L459 HydrophobicContact CG2-CD2 4.02Å; I456-N482 WeakPolarHBondContact CA-OD1 3.42Å; I456-N482 PolarHBondContact N-OD1 3.26Å; I456-D540 HydrophobicContact CG2-CB 3.57Å; I456-L541 HydrophobicContact CD1-CD2 3.79Å; I456-L541 HydrophobicContact CG2-CB 4.07Å; I456-L751 WeakPolarHBondContact CG1-O 3.25Å
457	G	96.1	Very high	95.2	Very high	8 Å²	8	20.5 Å²	20.5	8%	0.082	10%	0.102	C	C	.	.	S	Bend	trans	135.7	-93.5	175.9	0	0	0	0	0	111.2	S353 P455 N482 G483 D540	S353-G457 VanDerWaalsContact CB-O 3.3Å; S353-G457 WeakPolarHBondContact CB-O 3.48Å; P455-G457 VanDerWaalsContact C-N 3.31Å; G457-N482 PolarHBondContact N-OD1 3.23Å; G457-N482 CarbonylContact O-C 3.44Å; G457-N482 WeakPolarHBondContact O-CA 3.44Å; G457-G483 PolarHBondContact O-N 3.18Å; G457-D540 WeakPolarHBondContact CA-OD2 3.38Å
458	V	97.6	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.7	173.7	-175.4	0	0	0	0	110.5	A349 R350 G483 L485 V539 D540	A349-V458 HydrophobicContact CB-CG1 4.1Å; R350-V458 HydrophobicContact CB-CG2 3.8Å; R350-V458 HydrophobicContact CG-CG2 4.26Å; R350-V458 VanDerWaalsContact NH2-CB 3.26Å; R350-V458 VanDerWaalsContact NH2-CG2 3.29Å; V458-G483 CarbonylContact C-O 3.54Å; V458-G483 WeakPolarHBondContact CA-O 2.94Å; V458-L485 HydrophobicContact CG1-CG 4.16Å; V458-V539 HydrophobicContact CG1-CG1 4.03Å; V458-D540 PolarHBondContact N-OD2 3.13Å; V458-D540 PolarHBondContact O-N 2.78Å
459	L	97.2	Very high	94.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.1	176.4	-49.5	177.2	0	0	0	109.5	I456 N482 G483 L484 L485 L541 L751	I456-L459 HydrophobicContact CB-CD2 4.17Å; I456-L459 HydrophobicContact CD1-CD2 4.37Å; I456-L459 HydrophobicContact CG2-CD2 4.02Å; L459-N482 HydrophobicContact CD1-CB 3.83Å; L459-N482 HydrophobicContact CG-CB 3.87Å; L459-G483 PolarHBondContact N-O 3.39Å; L459-L484 HydrophobicContact CB-CD1 4.28Å; L459-L484 CarbonylContact O-C 3.56Å; L459-L484 WeakPolarHBondContact O-CA 3.49Å; L459-L485 PolarHBondContact O-N 3.48Å; L459-L541 CarbonylContact C-O 3.55Å; L459-L541 WeakPolarHBondContact CA-O 3.49Å; L459-L541 HydrophobicContact CD2-CB 3.88Å; L459-L541 HydrophobicContact CD2-CD2 4.09Å; L459-L541 HydrophobicContact CD2-CG 4.44Å; L459-L751 HydrophobicContact CD1-CD1 4.19Å; L459-L751 HydrophobicContact CD1-CD2 3.93Å; L459-L751 HydrophobicContact CD1-CG 4.46Å
460	M	97	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113	163.9	-178.3	170.4	58.8	0	0	110.2	I462 L485 L520 V526 V529 L530 V539 L541 V542 I543	M460-I462 HydrophobicContact CE-CD1 4.05Å; M460-I462 HydrophobicContact CG-CD1 4.46Å; M460-I462 HydrophobicContact CG-CG1 4.04Å; M460-I462 HydrophobicContact SD-CD1 4.37Å; M460-I462 HydrophobicContact SD-CG1 4.49Å; M460-L485 CarbonylContact C-O 3.5Å; M460-L485 VanDerWaalsContact CA-O 3.26Å; M460-L485 WeakPolarHBondContact CA-O 3.39Å; M460-L485 HydrophobicContact CB-CB 4.29Å; M460-L485 HydrophobicContact CG-CB 4.23Å; M460-L520 HydrophobicContact SD-CD1 3.88Å; M460-V526 HydrophobicContact CE-CG1 3.89Å; M460-V526 HydrophobicContact SD-CG1 4.24Å; M460-V529 HydrophobicContact CE-CG1 4.32Å; M460-V529 HydrophobicContact SD-CB 4.34Å; M460-V529 HydrophobicContact SD-CG1 3.88Å; M460-L530 HydrophobicContact CE-CD1 4.45Å; M460-L530 HydrophobicContact CE-CD2 3.64Å; M460-L530 HydrophobicContact CE-CG 3.86Å; M460-V539 HydrophobicContact CB-CB 4.37Å; M460-V539 HydrophobicContact CB-CG1 3.9Å; M460-V539 HydrophobicContact CB-CG2 4.48Å; M460-V539 HydrophobicContact CE-CG2 4.44Å; M460-L541 PolarHBondContact N-O 2.87Å; M460-V542 HydrophobicContact CB-CG2 4.44Å; M460-V542 HydrophobicContact CE-CG1 4.06Å; M460-V542 HydrophobicContact CE-CG2 3.68Å; M460-V542 CarbonylContact O-C 3.54Å; M460-V542 WeakPolarHBondContact O-CA 3.43Å; M460-I543 PolarHBondContact O-N 3.33Å
461	V	95.6	Very high	94.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.9	178	-175.3	0	0	0	0	108.6	F463 V473 L484 L485 K487 I543	V461-F463 HydrophobicContact CG1-CD1 4.02Å; V461-V473 HydrophobicContact CB-CG2 4.29Å; V461-V473 HydrophobicContact CG1-CB 4.5Å; V461-V473 HydrophobicContact CG1-CG1 4.05Å; V461-V473 HydrophobicContact CG1-CG2 4.26Å; V461-V473 HydrophobicContact CG2-CB 4.16Å; V461-V473 HydrophobicContact CG2-CG1 4.31Å; V461-V473 HydrophobicContact CG2-CG2 4.28Å; V461-L484 HydrophobicContact CB-CD1 4.03Å; V461-L484 HydrophobicContact CG2-CD1 3.47Å; V461-L484 VanDerWaalsContact CG2-CD1 3.47Å; V461-L485 PolarHBondContact N-O 3.32Å; V461-K487 PolarHBondContact O-N 3.2Å; V461-I543 WeakPolarHBondContact CA-O 3.3Å; V461-I543 HydrophobicContact CG2-CB 4.25Å; V461-I543 HydrophobicContact CG2-CD1 4.45Å
462	I	94.6	Very high	94.2	Very high	14 Å²	14	15.1 Å²	15.1	7%	0.072	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.4	179.8	-47	177.1	0	0	0	107.3	M460 K487 V526 V542 I543 P544 R545 M550 I554	M460-I462 HydrophobicContact CE-CD1 4.05Å; M460-I462 HydrophobicContact CG-CD1 4.46Å; M460-I462 HydrophobicContact CG-CG1 4.04Å; M460-I462 HydrophobicContact SD-CD1 4.37Å; M460-I462 HydrophobicContact SD-CG1 4.49Å; I462-K487 WeakPolarHBondContact CA-O 3.22Å; I462-K487 HydrophobicContact CB-CB 4.35Å; I462-K487 HydrophobicContact CG1-CB 4.15Å; I462-K487 HydrophobicContact CG2-CB 4Å; I462-K487 HydrophobicContact CG2-CG 3.87Å; I462-V526 HydrophobicContact CD1-CG1 3.69Å; I462-V526 HydrophobicContact CD1-CG2 4.21Å; I462-V542 HydrophobicContact CD1-CG1 4.04Å; I462-V542 HydrophobicContact CG1-CG1 4.44Å; I462-I543 PolarHBondContact N-O 2.87Å; I462-I543 VanDerWaalsContact N-O 3.08Å; I462-P544 CarbonylContact O-C 3.53Å; I462-P544 WeakPolarHBondContact O-CA 3.5Å; I462-R545 PolarHBondContact O-N 3.19Å; I462-M550 VanDerWaalsContact C-CE 3.44Å; I462-M550 HydrophobicContact CB-CE 3.65Å; I462-M550 HydrophobicContact CG2-CE 3.23Å; I462-M550 WeakPolarHBondContact O-CE 3.47Å; I462-I554 HydrophobicContact CB-CD1 3.96Å; I462-I554 HydrophobicContact CD1-CD1 3.65Å; I462-I554 HydrophobicContact CD1-CG1 3.93Å; I462-I554 HydrophobicContact CD1-CG2 4.06Å; I462-I554 HydrophobicContact CG1-CD1 4.35Å; I462-I554 HydrophobicContact CG2-CD1 3.98Å
463	F	92.4	Very high	94	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.8	-174.4	54.2	-86.9	0	0	0	112.8	V461 R466 C469 L470 A486 K487 P488 G489 V496 R545	V461-F463 HydrophobicContact CG1-CD1 4.02Å; F463-R466 VanDerWaalsContact CD2-O 3.25Å; F463-R466 WeakPolarHBondContact CD2-O 3.41Å; F463-R466 WeakPolarHBondContact CE2-O 3.29Å; F463-C469 HydrophobicContact CB-CB 4.33Å; F463-C469 HydrophobicContact CD1-CB 4.43Å; F463-C469 HydrophobicContact CD2-CB 3.93Å; F463-C469 HydrophobicContact CE2-CB 4.34Å; F463-C469 HydrophobicContact CG-CB 3.98Å; F463-L470 HydrophobicContact CZ-CB 3.97Å; F463-A486 HydrophobicContact CE1-CB 4.06Å; F463-K487 PolarHBondContact N-O 3.33Å; F463-P488 HydrophobicContact CD2-CB 4.32Å; F463-P488 HydrophobicContact CE2-CB 3.62Å; F463-P488 HydrophobicContact CZ-CB 3.84Å; F463-P488 CarbonylContact O-C 3.56Å; F463-P488 VanDerWaalsContact O-C 3.3Å; F463-P488 WeakPolarHBondContact O-CA 3.38Å; F463-G489 PolarHBondContact O-N 3.31Å; F463-V496 HydrophobicContact CE2-CG2 4.17Å; F463-R545 VanDerWaalsContact CA-O 3.32Å; F463-R545 WeakPolarHBondContact CA-O 3.14Å; F463-R545 HydrophobicContact CB-CB 3.94Å
464	E	88.3	Confident	94	Very high	62 Å²	62	14 Å²	14	29%	0.29	7%	0.072	S	C	.	.	S	Bend	trans	-110.6	133.8	179.8	-72.5	173.9	174.1	0	0	111	R466 R545 M550	E464-R466 PolarHBondContact O-N 3.41Å; E464-R466 VanDerWaalsContact O-N 3.13Å; E464-R466 PolarHBondContact O-NH1 3.5Å; E464-R545 PolarHBondContact N-O 3.22Å; E464-M550 HydrophobicContact CB-SD 4.38Å; E464-M550 HydrophobicContact CG-CE 4.14Å; E464-M550 HydrophobicContact CG-SD 3.63Å; E464-M550 WeakPolarHBondContact OE1-CG 3.24Å
465	S	87.5	Confident	94	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	7%	0.067	C	C	.	.	S	Bend	trans	49.7	36.4	173.9	-46.1	0	0	0	0	114	L402 R405 L406 E491	L402-S465 WeakPolarHBondContact O-CB 3.34Å; R405-S465 CarbonylContact C-O 3.49Å; R405-S465 WeakPolarHBondContact CB-O 3.33Å; R405-S465 VanDerWaalsContact O-O 3.05Å; L406-S465 WeakPolarHBondContact CA-O 3.43Å; L406-S465 PolarHBondContact N-O 2.97Å; S465-E491 VanDerWaalsContact CA-OE1 3.22Å; S465-E491 WeakPolarHBondContact CA-OE1 3.39Å; S465-E491 PolarHBondContact N-OE1 3.35Å; S465-E491 PolarHBondContact OG-OE1 2.91Å
466	R	89.1	Confident	93.8	Very high	48 Å²	48	12.5 Å²	12.5	18%	0.181	6%	0.062	C	C	.	.			trans	-139.6	75.5	-177.6	-74.5	-173.9	-177.3	84.9	-13.4	111.3	R405 F463 E464 D468 C469	R405-R466 HydrophobicContact CB-CG 4.19Å; R405-R466 VanDerWaalsContact NH1-NH2 3.2Å; F463-R466 VanDerWaalsContact CD2-O 3.25Å; F463-R466 WeakPolarHBondContact CD2-O 3.41Å; F463-R466 WeakPolarHBondContact CE2-O 3.29Å; E464-R466 PolarHBondContact O-N 3.41Å; E464-R466 VanDerWaalsContact O-N 3.13Å; E464-R466 PolarHBondContact O-NH1 3.5Å; R466-D468 VanDerWaalsContact C-OD1 3.32Å; R466-D468 WeakPolarHBondContact CA-OD1 3.37Å; R466-D468 WeakPolarHBondContact CB-OD1 3.44Å; R466-D468 PolarHBondContact O-N 3.32Å; R466-C469 HydrophobicContact CB-CB 4.08Å; R466-C469 WeakPolarHBondContact O-CB 3.19Å; R466-C469 PolarHBondContact O-N 3.45Å; R466-C469 VanDerWaalsContact O-N 3.07Å
467	P	93.9	Very high	93.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.6	-179.7	25.6	-33.6	0	0	0	112.4	L406 L408 C469 L470 A492 T495 V496 L499	L406-P467 HydrophobicContact CD1-CG 4.38Å; L406-P467 VanDerWaalsContact O-CG 3.24Å; L406-P467 WeakPolarHBondContact O-CG 3.44Å; L408-P467 HydrophobicContact CD1-CB 4.18Å; L408-P467 HydrophobicContact CD1-CG 3.99Å; L408-P467 HydrophobicContact CD2-CG 4.17Å; L408-P467 HydrophobicContact CG-CG 3.8Å; P467-C469 PolarHBondContact O-N 2.85Å; P467-L470 PolarHBondContact O-N 3.45Å; P467-A492 HydrophobicContact CB-CB 4.46Å; P467-T495 HydrophobicContact CB-CG2 3.55Å; P467-T495 HydrophobicContact CG-CG2 4.13Å; P467-V496 HydrophobicContact CB-CG2 4.15Å; P467-L499 HydrophobicContact CB-CD1 4.27Å; P467-L499 VanDerWaalsContact O-CD1 3.25Å; P467-L499 WeakPolarHBondContact O-CD1 3.5Å
468	D	91.5	Very high	93.8	Very high	40 Å²	40	10.9 Å²	10.9	21%	0.214	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.3	173.5	65.5	-47.5	0	0	0	113.7	L408 R466 L470 P471 Q472	L408-D468 HydrophobicContact CD2-CB 3.87Å; R466-D468 VanDerWaalsContact C-OD1 3.32Å; R466-D468 WeakPolarHBondContact CA-OD1 3.37Å; R466-D468 WeakPolarHBondContact CB-OD1 3.44Å; R466-D468 PolarHBondContact O-N 3.32Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-P471 WeakPolarHBondContact O-CD 3.48Å; D468-Q472 WeakPolarHBondContact O-CG 3.26Å; D468-Q472 PolarHBondContact O-NE2 3.23Å; D468-Q472 PolarHBondContact OD2-NE2 2.9Å
469	C	91.6	Very high	93.7	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.034	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-37.6	178.8	-172	0	0	0	0	111.7	F463 R466 P467 Q472 V473	F463-C469 HydrophobicContact CB-CB 4.33Å; F463-C469 HydrophobicContact CD1-CB 4.43Å; F463-C469 HydrophobicContact CD2-CB 3.93Å; F463-C469 HydrophobicContact CE2-CB 4.34Å; F463-C469 HydrophobicContact CG-CB 3.98Å; R466-C469 HydrophobicContact CB-CB 4.08Å; R466-C469 WeakPolarHBondContact O-CB 3.19Å; R466-C469 PolarHBondContact O-N 3.45Å; R466-C469 VanDerWaalsContact O-N 3.07Å; P467-C469 PolarHBondContact O-N 2.85Å; C469-Q472 PolarHBondContact O-N 3.24Å; C469-V473 WeakPolarHBondContact O-CG2 3.33Å; C469-V473 PolarHBondContact O-N 2.95Å
470	L	95.5	Very high	93.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-52.7	-173	174.7	68.9	0	0	0	112.7	F463 P467 D468 Q472 V473 A474 A486 V496 L499 H500 V517	F463-L470 HydrophobicContact CZ-CB 3.97Å; P467-L470 PolarHBondContact O-N 3.45Å; D468-L470 VanDerWaalsContact C-N 3.34Å; L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 2.85Å; L470-V473 PolarHBondContact O-N 3.34Å; L470-A474 WeakPolarHBondContact O-CB 3.27Å; L470-A474 PolarHBondContact O-N 2.98Å; L470-A486 HydrophobicContact CD1-CB 3.46Å; L470-A486 VanDerWaalsContact CD1-CB 3.46Å; L470-V496 HydrophobicContact CD2-CG1 3.95Å; L470-L499 HydrophobicContact CD2-CB 3.87Å; L470-H500 HydrophobicContact CD2-CB 3.92Å; L470-V517 HydrophobicContact CD1-CG1 4.28Å
471	P	95.4	Very high	93.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.9	-31.9	-179.5	-23.9	37.7	0	0	0	112.8	L371 L375 L416 L420 D468 A475 L499	L371-P471 HydrophobicContact CD2-CB 4.39Å; L375-P471 HydrophobicContact CD1-CB 4.17Å; L375-P471 HydrophobicContact CD2-CG 4.24Å; L416-P471 HydrophobicContact CD1-CB 4.3Å; L416-P471 HydrophobicContact CD2-CB 4Å; L416-P471 HydrophobicContact CD2-CG 3.87Å; L416-P471 HydrophobicContact CG-CB 4.34Å; L420-P471 HydrophobicContact CD1-CB 4.43Å; L420-P471 HydrophobicContact CD2-CB 4.34Å; D468-P471 WeakPolarHBondContact O-CD 3.48Å; P471-A475 VanDerWaalsContact O-CB 3.27Å; P471-A475 WeakPolarHBondContact O-CB 3.14Å; P471-A475 PolarHBondContact O-N 2.91Å; P471-L499 HydrophobicContact CG-CB 4.33Å; P471-L499 HydrophobicContact CG-CD1 4.14Å; P471-L499 HydrophobicContact CG-CD2 3.98Å; P471-L499 HydrophobicContact CG-CG 4.38Å
472	Q	92	Very high	93.7	Very high	47 Å²	47	10.9 Å²	10.9	22%	0.22	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-52.4	176.9	-62.2	175	51.1	0	0	111.3	L416 D468 C469 L470 A474 A475 L476	L416-Q472 HydrophobicContact CD1-CG 3.32Å; D468-Q472 WeakPolarHBondContact O-CG 3.26Å; D468-Q472 PolarHBondContact O-NE2 3.23Å; D468-Q472 PolarHBondContact OD2-NE2 2.9Å; C469-Q472 PolarHBondContact O-N 3.24Å; L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 2.85Å; Q472-A474 VanDerWaalsContact C-N 3.32Å; Q472-A474 PolarHBondContact O-N 3.29Å; Q472-A475 PolarHBondContact O-N 2.91Å; Q472-L476 WeakPolarHBondContact O-CG 3.41Å; Q472-L476 PolarHBondContact O-N 3.42Å
473	V	93.4	Very high	93.8	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-71.2	-30.6	-178.6	-61.3	0	0	0	0	112.1	V461 C469 L470 S477 L484 V733	V461-V473 HydrophobicContact CB-CG2 4.29Å; V461-V473 HydrophobicContact CG1-CB 4.5Å; V461-V473 HydrophobicContact CG1-CG1 4.05Å; V461-V473 HydrophobicContact CG1-CG2 4.26Å; V461-V473 HydrophobicContact CG2-CB 4.16Å; V461-V473 HydrophobicContact CG2-CG1 4.31Å; V461-V473 HydrophobicContact CG2-CG2 4.28Å; C469-V473 WeakPolarHBondContact O-CG2 3.33Å; C469-V473 PolarHBondContact O-N 2.95Å; L470-V473 PolarHBondContact O-N 3.34Å; V473-S477 VanDerWaalsContact O-CB 3.24Å; V473-S477 WeakPolarHBondContact O-CB 3.25Å; V473-S477 PolarHBondContact O-N 2.83Å; V473-S477 PolarHBondContact O-OG 2.97Å; V473-L484 HydrophobicContact CB-CD2 4.32Å; V473-L484 HydrophobicContact CG2-CD1 4.49Å; V473-L484 HydrophobicContact CG2-CD2 3.76Å; V473-V733 HydrophobicContact CG1-CG1 4.27Å
474	A	95.9	Very high	94.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-49.7	170.6	0	0	0	0	0	110.8	L470 Q472 L476 S477 I478 L484 V503 V517	L470-A474 WeakPolarHBondContact O-CB 3.27Å; L470-A474 PolarHBondContact O-N 2.98Å; Q472-A474 VanDerWaalsContact C-N 3.32Å; Q472-A474 PolarHBondContact O-N 3.29Å; A474-L476 PolarHBondContact O-N 2.95Å; A474-S477 PolarHBondContact O-N 3.47Å; A474-I478 WeakPolarHBondContact O-CB 3.32Å; A474-I478 WeakPolarHBondContact O-CD1 3.34Å; A474-I478 WeakPolarHBondContact O-CG1 3.39Å; A474-I478 PolarHBondContact O-N 3.34Å; A474-L484 HydrophobicContact CB-CD2 4.23Å; A474-V503 HydrophobicContact CB-CG1 4.1Å; A474-V503 HydrophobicContact CB-CG2 4.03Å; A474-V517 HydrophobicContact CB-CG2 4.11Å
475	A	95.1	Very high	94.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-43.3	179.3	0	0	0	0	0	112.7	I368 L420 I423 P471 Q472 I478 A479	I368-A475 WeakPolarHBondContact CD1-O 3.2Å; I368-A475 HydrophobicContact CG1-CB 4.27Å; I368-A475 HydrophobicContact CG2-CB 3.98Å; L420-A475 HydrophobicContact CD1-CB 4.23Å; L420-A475 HydrophobicContact CD2-CB 4.38Å; L420-A475 HydrophobicContact CG-CB 3.76Å; I423-A475 HydrophobicContact CD1-CB 3.88Å; P471-A475 VanDerWaalsContact O-CB 3.27Å; P471-A475 WeakPolarHBondContact O-CB 3.14Å; P471-A475 PolarHBondContact O-N 2.91Å; Q472-A475 PolarHBondContact O-N 2.91Å; A475-I478 PolarHBondContact O-N 3.23Å; A475-A479 WeakPolarHBondContact O-CB 3.46Å; A475-A479 PolarHBondContact O-N 3.23Å
476	L	94.2	Very high	95	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-63.3	-42.9	174.9	-73.5	172.5	0	0	0	112.1	I423 Q472 A474 A479 T480 A731 V733 V748 L751	I423-L476 HydrophobicContact CD1-CD2 3.97Å; I423-L476 HydrophobicContact CD1-CG 4.02Å; I423-L476 HydrophobicContact CG1-CD2 4.29Å; I423-L476 HydrophobicContact CG2-CD2 4.45Å; Q472-L476 WeakPolarHBondContact O-CG 3.41Å; Q472-L476 PolarHBondContact O-N 3.42Å; A474-L476 PolarHBondContact O-N 2.95Å; L476-A479 PolarHBondContact O-N 3.49Å; L476-T480 WeakPolarHBondContact O-CB 3.48Å; L476-T480 WeakPolarHBondContact O-CG2 3.35Å; L476-T480 PolarHBondContact O-N 3.27Å; L476-T480 PolarHBondContact O-OG1 3.32Å; L476-A731 HydrophobicContact CD1-CB 4.06Å; L476-A731 HydrophobicContact CD2-CB 4.16Å; L476-A731 HydrophobicContact CG-CB 4.32Å; L476-V733 HydrophobicContact CB-CG1 4.46Å; L476-V733 HydrophobicContact CD1-CG1 3.57Å; L476-V748 HydrophobicContact CD2-CG2 3.77Å; L476-L751 HydrophobicContact CB-CD1 3.83Å
477	S	95.8	Very high	95.3	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.007	3%	0.028	C	C	.	.	H	α-helix	trans	-64.2	-43.5	177.8	-58	0	0	0	0	111.3	V473 A474 T480 A481 N482	V473-S477 VanDerWaalsContact O-CB 3.24Å; V473-S477 WeakPolarHBondContact O-CB 3.25Å; V473-S477 PolarHBondContact O-N 2.83Å; V473-S477 PolarHBondContact O-OG 2.97Å; A474-S477 PolarHBondContact O-N 3.47Å; S477-T480 CarbonylContact O-C 3.54Å; S477-T480 PolarHBondContact O-N 2.89Å; S477-T480 PolarHBondContact O-OG1 3.42Å; S477-A481 PolarHBondContact O-N 3.04Å; S477-N482 PolarHBondContact O-N 3.16Å
478	I	96.3	Very high	95.3	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-49.6	175.1	-66.5	162.3	0	0	0	110	R364 A367 I368 A474 A475 T480 A481 L507	R364-I478 HydrophobicContact CB-CG2 3.96Å; R364-I478 WeakPolarHBondContact CD-O 3.24Å; R364-I478 HydrophobicContact CG-CG2 4.4Å; R364-I478 PolarHBondContact NE-O 2.96Å; A367-I478 HydrophobicContact CB-CG2 4.47Å; I368-I478 HydrophobicContact CD1-CB 4.43Å; I368-I478 HydrophobicContact CD1-CG2 4.19Å; I368-I478 HydrophobicContact CG1-CB 4.32Å; I368-I478 HydrophobicContact CG1-CG2 4.02Å; A474-I478 WeakPolarHBondContact O-CB 3.32Å; A474-I478 WeakPolarHBondContact O-CD1 3.34Å; A474-I478 WeakPolarHBondContact O-CG1 3.39Å; A474-I478 PolarHBondContact O-N 3.34Å; A475-I478 PolarHBondContact O-N 3.23Å; I478-T480 PolarHBondContact O-N 3.49Å; I478-T480 VanDerWaalsContact O-N 3.17Å; I478-A481 PolarHBondContact O-N 2.89Å; I478-L507 HydrophobicContact CD1-CD1 4.39Å; I478-L507 HydrophobicContact CD1-CD2 3.84Å; I478-L507 HydrophobicContact CD1-CG 4.24Å; I478-L507 HydrophobicContact CG1-CD2 4.09Å; I478-L507 HydrophobicContact CG2-CD2 4.49Å
479	A	95	Very high	95.3	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-56.7	-36.6	179.5	0	0	0	0	0	112.5	I368 I423 A475 L476	I368-A479 HydrophobicContact CD1-CB 3.92Å; I423-A479 HydrophobicContact CG2-CB 3.69Å; A475-A479 WeakPolarHBondContact O-CB 3.46Å; A475-A479 PolarHBondContact O-N 3.23Å; L476-A479 PolarHBondContact O-N 3.49Å
480	T	95.7	Very high	95.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.3	-179.7	55.7	0	0	0	0	114.6	V434 P455 L476 S477 I478 N482 V748 L751 L752	V434-T480 WeakPolarHBondContact CG2-O 3.5Å; P455-T480 WeakPolarHBondContact CB-O 3.38Å; L476-T480 WeakPolarHBondContact O-CB 3.48Å; L476-T480 WeakPolarHBondContact O-CG2 3.35Å; L476-T480 PolarHBondContact O-N 3.27Å; L476-T480 PolarHBondContact O-OG1 3.32Å; S477-T480 CarbonylContact O-C 3.54Å; S477-T480 PolarHBondContact O-N 2.89Å; S477-T480 PolarHBondContact O-OG1 3.42Å; I478-T480 PolarHBondContact O-N 3.49Å; I478-T480 VanDerWaalsContact O-N 3.17Å; T480-N482 WeakPolarHBondContact CB-ND2 3.44Å; T480-N482 PolarHBondContact O-N 3.2Å; T480-N482 PolarHBondContact OG1-ND2 3.35Å; T480-V748 HydrophobicContact CG2-CB 4.16Å; T480-V748 HydrophobicContact CG2-CG1 3.28Å; T480-L751 HydrophobicContact CG2-CB 4.05Å; T480-L752 HydrophobicContact CG2-CD2 4.16Å; T480-L752 HydrophobicContact CG2-CG 4.2Å
481	A	96.6	Very high	94.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	32.5	-179.2	0	0	0	0	0	115	L356 N357 V434 P455 S477 I478	L356-A481 HydrophobicContact CB-CB 4.03Å; N357-A481 HydrophobicContact CB-CB 4.26Å; V434-A481 HydrophobicContact CG2-CB 3.92Å; P455-A481 HydrophobicContact CB-CB 4.48Å; P455-A481 WeakPolarHBondContact CB-O 3.47Å; S477-A481 PolarHBondContact O-N 3.04Å; I478-A481 PolarHBondContact O-N 2.89Å
482	N	97.6	Very high	94.7	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.059	C	C	.	.			trans	-92.1	145.7	171.4	-69.5	-69.7	0	0	0	110.7	P455 I456 G457 L459 S477 T480 L751	P455-N482 WeakPolarHBondContact CB-OD1 3.34Å; I456-N482 WeakPolarHBondContact CA-OD1 3.42Å; I456-N482 PolarHBondContact N-OD1 3.26Å; G457-N482 PolarHBondContact N-OD1 3.23Å; G457-N482 CarbonylContact O-C 3.44Å; G457-N482 WeakPolarHBondContact O-CA 3.44Å; L459-N482 HydrophobicContact CD1-CB 3.83Å; L459-N482 HydrophobicContact CG-CB 3.87Å; S477-N482 PolarHBondContact O-N 3.16Å; T480-N482 WeakPolarHBondContact CB-ND2 3.44Å; T480-N482 PolarHBondContact O-N 3.2Å; T480-N482 PolarHBondContact OG1-ND2 3.35Å; N482-L751 PolarHBondContact ND2-O 3.42Å
483	G	97.7	Very high	94.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	151.5	160.4	0	0	0	0	0	109.8	S353 G457 V458 L459 A516	S353-G483 VanDerWaalsContact CB-N 3.27Å; G457-G483 PolarHBondContact O-N 3.18Å; V458-G483 CarbonylContact C-O 3.54Å; V458-G483 WeakPolarHBondContact CA-O 2.94Å; L459-G483 PolarHBondContact N-O 3.39Å; G483-A516 CarbonylContact C-O 3.6Å; G483-A516 WeakPolarHBondContact CA-O 3.46Å
484	L	98	Very high	94.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.5	-177.3	174.8	63.4	0	0	0	110.6	L459 V461 V473 A474 A516 V517 G518	L459-L484 HydrophobicContact CB-CD1 4.28Å; L459-L484 CarbonylContact O-C 3.56Å; L459-L484 WeakPolarHBondContact O-CA 3.49Å; V461-L484 HydrophobicContact CB-CD1 4.03Å; V461-L484 HydrophobicContact CG2-CD1 3.47Å; V461-L484 VanDerWaalsContact CG2-CD1 3.47Å; V473-L484 HydrophobicContact CB-CD2 4.32Å; V473-L484 HydrophobicContact CG2-CD1 4.49Å; V473-L484 HydrophobicContact CG2-CD2 3.76Å; A474-L484 HydrophobicContact CB-CD2 4.23Å; L484-A516 PolarHBondContact N-O 2.76Å; L484-V517 HydrophobicContact CB-CG1 4.42Å; L484-V517 HydrophobicContact CB-CG2 4.25Å; L484-V517 HydrophobicContact CD2-CG1 3.91Å; L484-V517 HydrophobicContact CD2-CG2 4.33Å; L484-V517 HydrophobicContact CG-CG1 4.26Å; L484-V517 CarbonylContact O-C 3.56Å; L484-V517 WeakPolarHBondContact O-CA 3.23Å; L484-G518 PolarHBondContact O-N 3.25Å
485	L	98	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.7	162.4	-63	-176.4	0	0	0	108.7	I345 A346 A349 V458 L459 M460 V461 G518 L520 V529 V539	I345-L485 HydrophobicContact CG2-CD2 3.73Å; A346-L485 HydrophobicContact CB-CD1 3.91Å; A349-L485 HydrophobicContact CB-CD2 3.79Å; A349-L485 HydrophobicContact CB-CG 4.34Å; V458-L485 HydrophobicContact CG1-CG 4.16Å; L459-L485 PolarHBondContact O-N 3.48Å; M460-L485 CarbonylContact C-O 3.5Å; M460-L485 VanDerWaalsContact CA-O 3.26Å; M460-L485 WeakPolarHBondContact CA-O 3.39Å; M460-L485 HydrophobicContact CB-CB 4.29Å; M460-L485 HydrophobicContact CG-CB 4.23Å; V461-L485 PolarHBondContact N-O 3.32Å; L485-G518 WeakPolarHBondContact CA-O 3.48Å; L485-L520 HydrophobicContact CB-CD1 4.15Å; L485-L520 HydrophobicContact CB-CG 4.42Å; L485-L520 HydrophobicContact CD1-CD1 4.47Å; L485-V529 HydrophobicContact CD1-CG1 3.83Å; L485-V529 HydrophobicContact CD1-CG2 4.09Å; L485-V539 HydrophobicContact CD1-CG1 3.72Å; L485-V539 HydrophobicContact CG-CG1 4.46Å
486	A	97.1	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.4	178.3	0	0	0	0	0	110.3	F463 L470 G518 L519 L520	F463-A486 HydrophobicContact CE1-CB 4.06Å; L470-A486 HydrophobicContact CD1-CB 3.46Å; L470-A486 VanDerWaalsContact CD1-CB 3.46Å; A486-G518 PolarHBondContact N-O 3Å; A486-L519 HydrophobicContact CB-CD1 4.46Å; A486-L520 PolarHBondContact O-N 3.32Å
487	K	95.5	Very high	94.9	Very high	17 Å²	17	16.5 Å²	16.5	7%	0.074	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	97.9	172.2	178	58.2	-179.9	102	0	110.3	V461 I462 F463 L520 E521 G522 V526	V461-K487 PolarHBondContact O-N 3.2Å; I462-K487 WeakPolarHBondContact CA-O 3.22Å; I462-K487 HydrophobicContact CB-CB 4.35Å; I462-K487 HydrophobicContact CG1-CB 4.15Å; I462-K487 HydrophobicContact CG2-CB 4Å; I462-K487 HydrophobicContact CG2-CG 3.87Å; F463-K487 PolarHBondContact N-O 3.33Å; K487-L520 HydrophobicContact CB-CB 4.19Å; K487-L520 HydrophobicContact CD-CB 3.87Å; K487-L520 WeakPolarHBondContact CD-O 3.34Å; K487-E521 WeakPolarHBondContact CE-O 3.42Å; K487-E521 PolarHBondContact NZ-O 2.94Å; K487-G522 WeakPolarHBondContact CE-O 3.44Å; K487-V526 HydrophobicContact CB-CG2 4.3Å; K487-V526 HydrophobicContact CD-CG2 4.29Å; K487-V526 HydrophobicContact CG-CG2 3.73Å
488	P	94.2	Very high	94.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	164.2	173.4	35.3	-40.4	0	0	0	111.7	F463 L493 V496 L519 L520	F463-P488 HydrophobicContact CD2-CB 4.32Å; F463-P488 HydrophobicContact CE2-CB 3.62Å; F463-P488 HydrophobicContact CZ-CB 3.84Å; F463-P488 CarbonylContact O-C 3.56Å; F463-P488 VanDerWaalsContact O-C 3.3Å; F463-P488 WeakPolarHBondContact O-CA 3.38Å; P488-L493 HydrophobicContact CG-CD1 4.07Å; P488-V496 HydrophobicContact CB-CB 4.26Å; P488-V496 HydrophobicContact CB-CG1 4.02Å; P488-V496 HydrophobicContact CB-CG2 3.87Å; P488-V496 HydrophobicContact CG-CB 4.25Å; P488-V496 HydrophobicContact CG-CG1 3.68Å; P488-V496 HydrophobicContact CG-CG2 4.41Å; P488-L519 HydrophobicContact CG-CD1 4.01Å; P488-L520 WeakPolarHBondContact CD-O 3.33Å
489	G	90	Very high	95	Very high	10 Å²	10	17 Å²	17	10%	0.103	9%	0.089	C	C	.	.			trans	-61.9	149.5	159.2	0	0	0	0	0	110.9	F463 E491 A492	F463-G489 PolarHBondContact O-N 3.31Å; G489-E491 WeakPolarHBondContact CA-OE2 3.34Å; G489-E491 PolarHBondContact O-N 3.48Å; G489-A492 PolarHBondContact O-N 3.14Å
490	S	88.9	Confident	95.1	Very high	93 Å²	93	19.3 Å²	19.3	65%	0.65	10%	0.1	S	C	*	.	G	3₁₀ helix	trans	-63.1	-23.5	-179.7	44.5	0	0	0	0	113	A492	S490-A492 VanDerWaalsContact C-N 3.26Å; S490-A492 PolarHBondContact O-N 3.12Å
491	E	89.2	Confident	95.2	Very high	31 Å²	31	23.2 Å²	23.2	15%	0.145	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-73.3	-9.9	178.9	72.1	-76.2	178.6	0	0	114.8	D389 I398 L406 S465 G489	D389-E491 WeakPolarHBondContact CB-O 3.48Å; I398-E491 HydrophobicContact CD1-CB 3.52Å; I398-E491 HydrophobicContact CD1-CG 3.99Å; L406-E491 HydrophobicContact CD1-CG 4.44Å; L406-E491 HydrophobicContact CD2-CG 4.41Å; S465-E491 VanDerWaalsContact CA-OE1 3.22Å; S465-E491 WeakPolarHBondContact CA-OE1 3.39Å; S465-E491 PolarHBondContact N-OE1 3.35Å; S465-E491 PolarHBondContact OG-OE1 2.91Å; G489-E491 WeakPolarHBondContact CA-OE2 3.34Å; G489-E491 PolarHBondContact O-N 3.48Å
492	A	93.4	Very high	95.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-117.6	15.2	-178.3	0	0	0	0	0	112.8	D389 L406 P467 G489 S490 H494 V496	D389-A492 WeakPolarHBondContact OD2-CA 3.3Å; L406-A492 HydrophobicContact CD1-CB 3.5Å; P467-A492 HydrophobicContact CB-CB 4.46Å; G489-A492 PolarHBondContact O-N 3.14Å; S490-A492 VanDerWaalsContact C-N 3.26Å; S490-A492 PolarHBondContact O-N 3.12Å; A492-H494 PolarHBondContact O-N 3.33Å; A492-V496 HydrophobicContact CB-CG2 4.23Å; A492-V496 VanDerWaalsContact O-CB 3.23Å; A492-V496 WeakPolarHBondContact O-CB 3.13Å; A492-V496 VanDerWaalsContact O-CG2 3.24Å; A492-V496 WeakPolarHBondContact O-CG2 3.27Å; A492-V496 PolarHBondContact O-N 3.02Å
493	L	91.9	Very high	95.3	Very high	29 Å²	29	23.2 Å²	23.2	15%	0.152	12%	0.115	C	C	.	.	H	α-helix	trans	-70.3	-35.5	-163.5	-158.2	71.2	0	0	0	112.3	D389 P488 R497 E521	D389-L493 PolarHBondContact OD1-N 3.01Å; P488-L493 HydrophobicContact CG-CD1 4.07Å; L493-R497 WeakPolarHBondContact O-CB 3.24Å; L493-R497 WeakPolarHBondContact O-CD 3.36Å; L493-R497 VanDerWaalsContact O-CG 3.23Å; L493-R497 WeakPolarHBondContact O-CG 3.42Å; L493-R497 PolarHBondContact O-N 3.14Å; L493-E521 HydrophobicContact CD1-CB 4.12Å; L493-E521 HydrophobicContact CD1-CG 3.95Å
494	H	92.8	Very high	95.3	Very high	53 Å²	53	23.8 Å²	23.8	25%	0.245	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-51.9	177.7	-73.6	-98.3	0	0	0	111	E385 D389 Q392 A492 V496 R497 V498	E385-H494 HydrophobicContact CB-CB 4.15Å; E385-H494 WeakPolarHBondContact OE2-CB 3.26Å; E385-H494 IonicContact OE2-CG 2.91Å; E385-H494 IonicContact OE2-ND1 2.93Å; E385-H494 PolarHBondContact OE2-ND1 3.14Å; E385-H494 VanDerWaalsContact OE2-ND1 3.09Å; D389-H494 VanDerWaalsContact OD1-CB 3.27Å; D389-H494 WeakPolarHBondContact OD1-CB 3.46Å; D389-H494 IonicContact OD1-CD2 2.67Å; D389-H494 PolarHBondContact OD1-CD2 3.26Å; D389-H494 VanDerWaalsContact OD1-CD2 3.27Å; D389-H494 IonicContact OD1-CG 2.91Å; D389-H494 PolarHBondContact OD1-N 3.43Å; D389-H494 VanDerWaalsContact OD1-N 3.15Å; D389-H494 PolarHBondContact OD2-N 3.38Å; Q392-H494 PolarHBondContact NE2-NE2 3.37Å; A492-H494 PolarHBondContact O-N 3.33Å; H494-V496 VanDerWaalsContact C-N 3.34Å; H494-V496 PolarHBondContact O-N 3.25Å; H494-R497 PolarHBondContact O-N 2.85Å; H494-V498 PolarHBondContact O-N 3.46Å
495	T	97.1	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-47.3	177.8	-49.7	0	0	0	0	111.1	I382 N386 D389 L408 P467 R497 V498 L499	I382-T495 HydrophobicContact CG2-CG2 4.32Å; N386-T495 WeakPolarHBondContact CA-OG1 3.07Å; N386-T495 HydrophobicContact CB-CG2 4.23Å; N386-T495 PolarHBondContact ND2-OG1 3.26Å; N386-T495 VanDerWaalsContact ND2-OG1 3.09Å; D389-T495 VanDerWaalsContact OD2-CB 3.26Å; D389-T495 WeakPolarHBondContact OD2-CB 3.33Å; D389-T495 PolarHBondContact OD2-N 3.44Å; D389-T495 PolarHBondContact OD2-OG1 3.15Å; L408-T495 HydrophobicContact CD1-CG2 3.48Å; L408-T495 VanDerWaalsContact CD1-CG2 3.48Å; P467-T495 HydrophobicContact CB-CG2 3.55Å; P467-T495 HydrophobicContact CG-CG2 4.13Å; T495-R497 PolarHBondContact O-N 3.37Å; T495-V498 PolarHBondContact O-N 2.81Å; T495-L499 HydrophobicContact CG2-CD1 4.03Å; T495-L499 WeakPolarHBondContact O-CG 3.41Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.1Å
496	V	96.5	Very high	95.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-34.9	-175.2	161.3	0	0	0	0	112.2	F463 P467 L470 P488 A492 H494 V498 L499 H500 L519	F463-V496 HydrophobicContact CE2-CG2 4.17Å; P467-V496 HydrophobicContact CB-CG2 4.15Å; L470-V496 HydrophobicContact CD2-CG1 3.95Å; P488-V496 HydrophobicContact CB-CB 4.26Å; P488-V496 HydrophobicContact CB-CG1 4.02Å; P488-V496 HydrophobicContact CB-CG2 3.87Å; P488-V496 HydrophobicContact CG-CB 4.25Å; P488-V496 HydrophobicContact CG-CG1 3.68Å; P488-V496 HydrophobicContact CG-CG2 4.41Å; A492-V496 HydrophobicContact CB-CG2 4.23Å; A492-V496 VanDerWaalsContact O-CB 3.23Å; A492-V496 WeakPolarHBondContact O-CB 3.13Å; A492-V496 VanDerWaalsContact O-CG2 3.24Å; A492-V496 WeakPolarHBondContact O-CG2 3.27Å; A492-V496 PolarHBondContact O-N 3.02Å; H494-V496 VanDerWaalsContact C-N 3.34Å; H494-V496 PolarHBondContact O-N 3.25Å; V496-V498 PolarHBondContact O-N 3.36Å; V496-L499 PolarHBondContact O-N 2.88Å; V496-H500 VanDerWaalsContact O-CB 3.26Å; V496-H500 WeakPolarHBondContact O-CB 3.47Å; V496-H500 PolarHBondContact O-N 2.95Å; V496-L519 HydrophobicContact CG1-CD1 3.51Å; V496-L519 HydrophobicContact CG1-CD2 4.18Å
497	R	95	Very high	95.3	Very high	107 Å²	107	26.5 Å²	26.5	40%	0.404	13%	0.133	S	C	.	.	H	α-helix	trans	-62.3	-41.6	175.3	-78.2	169.5	175.7	165.2	-1.9	112.3	L493 H494 T495 H500 R501 L519 E521	L493-R497 WeakPolarHBondContact O-CB 3.24Å; L493-R497 WeakPolarHBondContact O-CD 3.36Å; L493-R497 VanDerWaalsContact O-CG 3.23Å; L493-R497 WeakPolarHBondContact O-CG 3.42Å; L493-R497 PolarHBondContact O-N 3.14Å; H494-R497 PolarHBondContact O-N 2.85Å; T495-R497 PolarHBondContact O-N 3.37Å; R497-H500 PolarHBondContact O-N 3.29Å; R497-R501 PolarHBondContact O-N 3.31Å; R497-L519 HydrophobicContact CG-CD2 4.09Å; R497-E521 IonicContact CZ-OE1 3.22Å; R497-E521 IonicContact CZ-OE2 3.99Å; R497-E521 IonicContact NE-OE1 3.48Å; R497-E521 PolarHBondContact NE-OE1 3.06Å; R497-E521 IonicContact NE-OE2 2.93Å; R497-E521 VanDerWaalsContact NH2-CD 3.32Å; R497-E521 IonicContact NH2-OE1 2.64Å; R497-E521 PolarHBondContact NH2-OE1 3.01Å; R497-E521 IonicContact NH2-OE2 3.85Å; R497-E521 PolarHBondContact NH2-OE2 2.78Å
498	V	97	Very high	95.4	Very high	12 Å²	12	30.8 Å²	30.8	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-49.6	174.5	174.9	0	0	0	0	110.5	E381 I382 E385 H494 T495 V496 H500 R501 L502	E381-V498 HydrophobicContact CG-CG1 4.23Å; I382-V498 HydrophobicContact CG1-CG1 3.96Å; E385-V498 HydrophobicContact CB-CG2 4.34Å; E385-V498 HydrophobicContact CG-CG2 3.74Å; H494-V498 PolarHBondContact O-N 3.46Å; T495-V498 PolarHBondContact O-N 2.81Å; V496-V498 PolarHBondContact O-N 3.36Å; V498-H500 VanDerWaalsContact C-N 3.31Å; V498-H500 PolarHBondContact O-N 2.92Å; V498-R501 WeakPolarHBondContact O-CB 3.18Å; V498-R501 PolarHBondContact O-N 3.4Å; V498-L502 HydrophobicContact CG1-CD1 4.34Å; V498-L502 WeakPolarHBondContact O-CG 3.32Å; V498-L502 PolarHBondContact O-N 2.88Å
499	L	98	Very high	95.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-41	179.4	-66.8	174.4	0	0	0	112	L375 I382 L408 P467 L470 P471 T495 V496 L502 V503	L375-L499 HydrophobicContact CD2-CD2 3.48Å; L375-L499 VanDerWaalsContact CD2-CD2 3.48Å; I382-L499 HydrophobicContact CD1-CD2 3.9Å; I382-L499 HydrophobicContact CG1-CD2 4.15Å; I382-L499 HydrophobicContact CG2-CD2 4.35Å; L408-L499 HydrophobicContact CD1-CD1 4.49Å; P467-L499 HydrophobicContact CB-CD1 4.27Å; P467-L499 VanDerWaalsContact O-CD1 3.25Å; P467-L499 WeakPolarHBondContact O-CD1 3.5Å; L470-L499 HydrophobicContact CD2-CB 3.87Å; P471-L499 HydrophobicContact CG-CB 4.33Å; P471-L499 HydrophobicContact CG-CD1 4.14Å; P471-L499 HydrophobicContact CG-CD2 3.98Å; P471-L499 HydrophobicContact CG-CG 4.38Å; T495-L499 HydrophobicContact CG2-CD1 4.03Å; T495-L499 WeakPolarHBondContact O-CG 3.41Å; T495-L499 PolarHBondContact O-N 3.48Å; T495-L499 VanDerWaalsContact O-N 3.1Å; V496-L499 PolarHBondContact O-N 2.88Å; L499-L502 PolarHBondContact O-N 3.15Å; L499-V503 WeakPolarHBondContact O-CG2 3.34Å; L499-V503 PolarHBondContact O-N 3.34Å
500	H	97.5	Very high	95.7	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.227	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-43.4	176.5	178.6	-111.6	0	0	0	112.3	L470 V496 R497 V498 L502 V503 G504 V517 L519	L470-H500 HydrophobicContact CD2-CB 3.92Å; V496-H500 VanDerWaalsContact O-CB 3.26Å; V496-H500 WeakPolarHBondContact O-CB 3.47Å; V496-H500 PolarHBondContact O-N 2.95Å; R497-H500 PolarHBondContact O-N 3.29Å; V498-H500 VanDerWaalsContact C-N 3.31Å; V498-H500 PolarHBondContact O-N 2.92Å; H500-L502 VanDerWaalsContact C-N 3.34Å; H500-L502 PolarHBondContact O-N 2.91Å; H500-V503 WeakPolarHBondContact O-CB 3.47Å; H500-V503 PolarHBondContact O-N 3.47Å; H500-G504 PolarHBondContact O-N 2.84Å; H500-V517 PolarHBondContact NE2-O 3.08Å; H500-L519 HydrophobicContact CB-CD2 4.28Å
501	R	97.6	Very high	96	Very high	83 Å²	83	40.5 Å²	40.5	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-57.4	-46.7	173.1	178.8	-179.8	59.3	72.3	-1.1	111.5	E381 R497 V498 V503 G504 E505	E381-R501 IonicContact OE1-CZ 3.42Å; E381-R501 IonicContact OE1-NH2 3.78Å; E381-R501 PolarHBondContact OE1-NH2 3Å; E381-R501 IonicContact OE2-NH2 3.89Å; E381-R501 PolarHBondContact OE2-NH2 3.39Å; R497-R501 PolarHBondContact O-N 3.31Å; V498-R501 WeakPolarHBondContact O-CB 3.18Å; V498-R501 PolarHBondContact O-N 3.4Å; R501-V503 VanDerWaalsContact C-N 3.3Å; R501-V503 PolarHBondContact O-N 2.82Å; R501-G504 PolarHBondContact O-N 3.35Å; R501-E505 WeakPolarHBondContact CG-OE1 3.44Å; R501-E505 IonicContact CZ-OE1 2.83Å; R501-E505 IonicContact NH1-OE1 2.82Å; R501-E505 PolarHBondContact NH1-OE1 3.27Å; R501-E505 IonicContact NH1-OE2 3.27Å; R501-E505 WeakPolarHBondContact O-CG 3.37Å; R501-E505 PolarHBondContact O-N 3.03Å
502	L	98.2	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-35.6	179.5	-62.8	178.6	0	0	0	112.6	L371 K374 L375 H378 I382 V498 L499 H500 A506	L371-L502 HydrophobicContact CD1-CB 4.23Å; K374-L502 HydrophobicContact CB-CB 4.43Å; K374-L502 HydrophobicContact CB-CD2 4.28Å; K374-L502 HydrophobicContact CD-CD2 4.43Å; L375-L502 HydrophobicContact CD2-CD1 4.38Å; H378-L502 HydrophobicContact CB-CD1 3.97Å; H378-L502 HydrophobicContact CB-CD2 4.23Å; I382-L502 HydrophobicContact CD1-CD1 3.98Å; I382-L502 HydrophobicContact CG1-CD1 4.39Å; V498-L502 HydrophobicContact CG1-CD1 4.34Å; V498-L502 WeakPolarHBondContact O-CG 3.32Å; V498-L502 PolarHBondContact O-N 2.88Å; L499-L502 PolarHBondContact O-N 3.15Å; H500-L502 VanDerWaalsContact C-N 3.34Å; H500-L502 PolarHBondContact O-N 2.91Å; L502-A506 WeakPolarHBondContact O-CB 3.35Å; L502-A506 PolarHBondContact O-N 2.85Å
503	V	98.1	Very high	96.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-47.4	172.9	173.4	0	0	0	0	111	L371 A474 L499 H500 R501 E505 A506 L507 V517	L371-V503 HydrophobicContact CD1-CG2 3.83Å; L371-V503 HydrophobicContact CD2-CG2 3.79Å; L371-V503 HydrophobicContact CG-CG2 4.49Å; A474-V503 HydrophobicContact CB-CG1 4.1Å; A474-V503 HydrophobicContact CB-CG2 4.03Å; L499-V503 WeakPolarHBondContact O-CG2 3.34Å; L499-V503 PolarHBondContact O-N 3.34Å; H500-V503 WeakPolarHBondContact O-CB 3.47Å; H500-V503 PolarHBondContact O-N 3.47Å; R501-V503 VanDerWaalsContact C-N 3.3Å; R501-V503 PolarHBondContact O-N 2.82Å; V503-E505 PolarHBondContact O-N 2.94Å; V503-A506 PolarHBondContact O-N 3.17Å; V503-L507 HydrophobicContact CG1-CD1 4.16Å; V503-L507 PolarHBondContact O-N 3.34Å; V503-L507 VanDerWaalsContact O-N 3.16Å; V503-V517 HydrophobicContact CG1-CB 3.92Å; V503-V517 HydrophobicContact CG1-CG1 4.36Å; V503-V517 HydrophobicContact CG1-CG2 3.69Å
504	G	96.9	Very high	96.4	Very high	11 Å²	11	42 Å²	42	11%	0.113	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-48.5	177.4	0	0	0	0	0	112.2	H500 R501 A506 L507 E508	H500-G504 PolarHBondContact O-N 2.84Å; R501-G504 PolarHBondContact O-N 3.35Å; G504-A506 VanDerWaalsContact C-N 3.31Å; G504-A506 PolarHBondContact O-N 2.85Å; G504-L507 PolarHBondContact O-N 3.29Å; G504-E508 WeakPolarHBondContact O-CG 3.28Å; G504-E508 PolarHBondContact O-N 3.04Å; G504-E508 VanDerWaalsContact O-N 3.11Å
505	E	97.6	Very high	96.4	Very high	55 Å²	55	40.5 Å²	40.5	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-35.9	177.6	-67.8	173.6	-167.5	0	0	112.7	K374 R501 V503 M509	K374-E505 HydrophobicContact CD-CB 4.08Å; K374-E505 IonicContact NZ-OE2 3.72Å; K374-E505 PolarHBondContact NZ-OE2 2.67Å; R501-E505 WeakPolarHBondContact CG-OE1 3.44Å; R501-E505 IonicContact CZ-OE1 2.83Å; R501-E505 IonicContact NH1-OE1 2.82Å; R501-E505 PolarHBondContact NH1-OE1 3.27Å; R501-E505 IonicContact NH1-OE2 3.27Å; R501-E505 WeakPolarHBondContact O-CG 3.37Å; R501-E505 PolarHBondContact O-N 3.03Å; V503-E505 PolarHBondContact O-N 2.94Å; E505-M509 WeakPolarHBondContact O-CG 3.41Å; E505-M509 PolarHBondContact O-N 2.67Å
506	A	98.1	Very high	96.3	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-68.5	-35.1	179.2	0	0	0	0	0	112.9	N370 L371 K374 L502 V503 G504	N370-A506 HydrophobicContact CB-CB 4.01Å; L371-A506 HydrophobicContact CB-CB 3.81Å; K374-A506 HydrophobicContact CD-CB 4.35Å; L502-A506 WeakPolarHBondContact O-CB 3.35Å; L502-A506 PolarHBondContact O-N 2.85Å; V503-A506 PolarHBondContact O-N 3.17Å; G504-A506 VanDerWaalsContact C-N 3.31Å; G504-A506 PolarHBondContact O-N 2.85Å
507	L	97.5	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.8	-43.9	175	-73.4	164	0	0	0	111.6	A367 I478 V503 G504 M509 V510 L512 A516	A367-L507 HydrophobicContact CB-CD2 4.17Å; I478-L507 HydrophobicContact CD1-CD1 4.39Å; I478-L507 HydrophobicContact CD1-CD2 3.84Å; I478-L507 HydrophobicContact CD1-CG 4.24Å; I478-L507 HydrophobicContact CG1-CD2 4.09Å; I478-L507 HydrophobicContact CG2-CD2 4.49Å; V503-L507 HydrophobicContact CG1-CD1 4.16Å; V503-L507 PolarHBondContact O-N 3.34Å; V503-L507 VanDerWaalsContact O-N 3.16Å; G504-L507 PolarHBondContact O-N 3.29Å; L507-M509 PolarHBondContact O-N 2.84Å; L507-V510 VanDerWaalsContact O-CG2 3.3Å; L507-V510 WeakPolarHBondContact O-CG2 3.43Å; L507-V510 PolarHBondContact O-N 2.83Å; L507-V510 VanDerWaalsContact O-N 3.14Å; L507-L512 CarbonylContact C-O 3.55Å; L507-L512 HydrophobicContact CB-CB 4.19Å; L507-L512 HydrophobicContact CD2-CB 3.84Å; L507-L512 HydrophobicContact CD2-CD1 4.11Å; L507-L512 PolarHBondContact O-N 2.76Å; L507-A516 HydrophobicContact CD1-CB 3.97Å
508	E	96.9	Very high	96.4	Very high	108 Å²	108	35.9 Å²	35.9	51%	0.505	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-29.8	-179.7	-73.8	171.7	-175.7	0	0	112.7	G504 V510 D511 S514	G504-E508 WeakPolarHBondContact O-CG 3.28Å; G504-E508 PolarHBondContact O-N 3.04Å; G504-E508 VanDerWaalsContact O-N 3.11Å; E508-V510 PolarHBondContact O-N 3.44Å; E508-V510 VanDerWaalsContact O-N 3.12Å; E508-D511 PolarHBondContact O-N 3.4Å; E508-S514 WeakPolarHBondContact OE1-CB 3.03Å; E508-S514 PolarHBondContact OE1-OG 2.87Å
509	M	96.3	Very high	96.3	Very high	118 Å²	118	36.1 Å²	36.1	58%	0.581	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.5	176.5	-75.5	-178.5	70.6	0	0	114.7	N370 E505 L507	N370-M509 HydrophobicContact CB-SD 4.36Å; N370-M509 WeakPolarHBondContact ND2-CB 3.39Å; E505-M509 WeakPolarHBondContact O-CG 3.41Å; E505-M509 PolarHBondContact O-N 2.67Å; L507-M509 PolarHBondContact O-N 2.84Å
510	V	96.1	Very high	96.1	Very high	29 Å²	29	36 Å²	36	18%	0.176	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	25	177.4	-67.2	0	0	0	0	112.1	I366 A367 L507 E508 L512	I366-V510 HydrophobicContact CB-CG1 3.94Å; I366-V510 HydrophobicContact CG2-CG1 3.44Å; I366-V510 VanDerWaalsContact CG2-CG1 3.44Å; A367-V510 HydrophobicContact CB-CG2 3.76Å; L507-V510 VanDerWaalsContact O-CG2 3.3Å; L507-V510 WeakPolarHBondContact O-CG2 3.43Å; L507-V510 PolarHBondContact O-N 2.83Å; L507-V510 VanDerWaalsContact O-N 3.14Å; E508-V510 PolarHBondContact O-N 3.44Å; E508-V510 VanDerWaalsContact O-N 3.12Å; V510-L512 HydrophobicContact CG2-CB 4.19Å; V510-L512 HydrophobicContact CG2-CD1 3.73Å; V510-L512 HydrophobicContact CG2-CG 3.76Å; V510-L512 PolarHBondContact O-N 3.48Å; V510-L512 VanDerWaalsContact O-N 3.14Å
511	D	94.4	Very high	95.6	Very high	160 Å²	160	37 Å²	37	86%	0.856	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	28.6	-179.5	-58.2	-49.9	0	0	0	113.6	E508	E508-D511 PolarHBondContact O-N 3.4Å
512	L	95.5	Very high	94.9	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	19%	0.191	C	C	.	.			trans	-93.4	146.9	171.5	-65.5	179.8	0	0	0	110.2	L356 R364 A367 L507 V510 S514	L356-L512 HydrophobicContact CD2-CD1 3.92Å; L356-L512 HydrophobicContact CD2-CD2 4.24Å; L356-L512 HydrophobicContact CD2-CG 4.46Å; R364-L512 HydrophobicContact CG-CD1 4.21Å; A367-L512 HydrophobicContact CB-CD1 4.22Å; L507-L512 CarbonylContact C-O 3.55Å; L507-L512 HydrophobicContact CB-CB 4.19Å; L507-L512 HydrophobicContact CD2-CB 3.84Å; L507-L512 HydrophobicContact CD2-CD1 4.11Å; L507-L512 PolarHBondContact O-N 2.76Å; V510-L512 HydrophobicContact CG2-CB 4.19Å; V510-L512 HydrophobicContact CG2-CD1 3.73Å; V510-L512 HydrophobicContact CG2-CG 3.76Å; V510-L512 PolarHBondContact O-N 3.48Å; V510-L512 VanDerWaalsContact O-N 3.14Å; L512-S514 PolarHBondContact O-N 3.27Å
513	P	92.9	Very high	94.1	Very high	35 Å²	35	42.8 Å²	42.8	23%	0.227	22%	0.224	C	C	.	.			trans	-68.6	121	-174.9	27	-35.2	0	0	0	111.5	A352 L355 G515 A516	A352-P513 HydrophobicContact CB-CB 3.89Å; A352-P513 HydrophobicContact CB-CG 3.52Å; L355-P513 HydrophobicContact CB-CG 4.09Å; L355-P513 HydrophobicContact CD1-CB 4.32Å; L355-P513 HydrophobicContact CD1-CG 4.04Å; P513-G515 PolarHBondContact O-N 3.03Å; P513-G515 VanDerWaalsContact O-N 3.15Å; P513-A516 VanDerWaalsContact O-CB 3.25Å; P513-A516 WeakPolarHBondContact O-CB 3.32Å; P513-A516 PolarHBondContact O-N 2.99Å
514	S	93.4	Very high	93.4	Very high	44 Å²	44	50.6 Å²	50.6	31%	0.308	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-58.7	-26.4	174	47.6	0	0	0	0	113.2	E508 L512 A516 V517	E508-S514 WeakPolarHBondContact OE1-CB 3.03Å; E508-S514 PolarHBondContact OE1-OG 2.87Å; L512-S514 PolarHBondContact O-N 3.27Å; S514-A516 PolarHBondContact O-N 3.48Å; S514-A516 VanDerWaalsContact O-N 3.12Å; S514-V517 PolarHBondContact O-N 3.36Å
515	G	92.8	Very high	92.9	Very high	21 Å²	21	50.3 Å²	50.3	22%	0.216	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.3	-4.8	172.2	0	0	0	0	0	115.4	A349 P513 V517	A349-G515 VanDerWaalsContact CA-O 3.29Å; A349-G515 WeakPolarHBondContact CA-O 3.45Å; A349-G515 PolarHBondContact N-O 3.2Å; P513-G515 PolarHBondContact O-N 3.03Å; P513-G515 VanDerWaalsContact O-N 3.15Å; G515-V517 PolarHBondContact O-N 3.41Å
516	A	96	Very high	92.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.7	-26.9	173.4	0	0	0	0	0	113.3	A352 L356 G483 L484 L507 P513 S514	A352-A516 VanDerWaalsContact CB-CA 3.41Å; A352-A516 HydrophobicContact CB-CB 3.87Å; L356-A516 HydrophobicContact CD1-CB 3.63Å; L356-A516 HydrophobicContact CG-CB 4.3Å; G483-A516 CarbonylContact C-O 3.6Å; G483-A516 WeakPolarHBondContact CA-O 3.46Å; L484-A516 PolarHBondContact N-O 2.76Å; L507-A516 HydrophobicContact CD1-CB 3.97Å; P513-A516 VanDerWaalsContact O-CB 3.25Å; P513-A516 WeakPolarHBondContact O-CB 3.32Å; P513-A516 PolarHBondContact O-N 2.99Å; S514-A516 PolarHBondContact O-N 3.48Å; S514-A516 VanDerWaalsContact O-N 3.12Å
517	V	97.5	Very high	92	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	108.7	174.1	-176.3	0	0	0	0	108.5	L470 A474 L484 H500 V503 S514 G515	L470-V517 HydrophobicContact CD1-CG1 4.28Å; A474-V517 HydrophobicContact CB-CG2 4.11Å; L484-V517 HydrophobicContact CB-CG1 4.42Å; L484-V517 HydrophobicContact CB-CG2 4.25Å; L484-V517 HydrophobicContact CD2-CG1 3.91Å; L484-V517 HydrophobicContact CD2-CG2 4.33Å; L484-V517 HydrophobicContact CG-CG1 4.26Å; L484-V517 CarbonylContact O-C 3.56Å; L484-V517 WeakPolarHBondContact O-CA 3.23Å; H500-V517 PolarHBondContact NE2-O 3.08Å; V503-V517 HydrophobicContact CG1-CB 3.92Å; V503-V517 HydrophobicContact CG1-CG1 4.36Å; V503-V517 HydrophobicContact CG1-CG2 3.69Å; S514-V517 PolarHBondContact O-N 3.36Å; G515-V517 PolarHBondContact O-N 3.41Å
518	G	96	Very high	91.6	Very high	7 Å²	7	53 Å²	53	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	146.1	173.9	0	0	0	0	0	112	L484 L485 A486	L484-G518 PolarHBondContact O-N 3.25Å; L485-G518 WeakPolarHBondContact CA-O 3.48Å; A486-G518 PolarHBondContact N-O 3Å
519	L	95.3	Very high	91.3	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.2	176.7	-176.4	64.7	0	0	0	110.1	A486 P488 V496 R497 H500 E521	A486-L519 HydrophobicContact CB-CD1 4.46Å; P488-L519 HydrophobicContact CG-CD1 4.01Å; V496-L519 HydrophobicContact CG1-CD1 3.51Å; V496-L519 HydrophobicContact CG1-CD2 4.18Å; R497-L519 HydrophobicContact CG-CD2 4.09Å; H500-L519 HydrophobicContact CB-CD2 4.28Å; L519-E521 HydrophobicContact CD2-CG 4.38Å; L519-E521 HydrophobicContact CG-CG 4.29Å
520	L	93.5	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.			trans	-100.8	130.8	171.2	-55.7	179.7	0	0	0	107.8	I342 I345 M460 L485 A486 K487 P488 D525 V529	I342-L520 HydrophobicContact CD1-CD2 4.04Å; I342-L520 HydrophobicContact CG2-CD2 4Å; I345-L520 HydrophobicContact CG2-CD2 4.38Å; M460-L520 HydrophobicContact SD-CD1 3.88Å; L485-L520 HydrophobicContact CB-CD1 4.15Å; L485-L520 HydrophobicContact CB-CG 4.42Å; L485-L520 HydrophobicContact CD1-CD1 4.47Å; A486-L520 PolarHBondContact O-N 3.32Å; K487-L520 HydrophobicContact CB-CB 4.19Å; K487-L520 HydrophobicContact CD-CB 3.87Å; K487-L520 WeakPolarHBondContact CD-O 3.34Å; P488-L520 WeakPolarHBondContact CD-O 3.33Å; L520-D525 HydrophobicContact CB-CB 4.2Å; L520-D525 HydrophobicContact CD2-CB 4.28Å; L520-V529 HydrophobicContact CD1-CG2 4.07Å; L520-V529 HydrophobicContact CD2-CG2 4.41Å
521	E	88.1	Confident	90.6	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	23%	0.233	S	C	.	.			trans	-107.8	-30.8	-174.5	-60.7	-164.8	163.5	0	0	112.7	K487 L493 R497 L519 D525	K487-E521 WeakPolarHBondContact CE-O 3.42Å; K487-E521 PolarHBondContact NZ-O 2.94Å; L493-E521 HydrophobicContact CD1-CB 4.12Å; L493-E521 HydrophobicContact CD1-CG 3.95Å; R497-E521 IonicContact CZ-OE1 3.22Å; R497-E521 IonicContact CZ-OE2 3.99Å; R497-E521 IonicContact NE-OE1 3.48Å; R497-E521 PolarHBondContact NE-OE1 3.06Å; R497-E521 IonicContact NE-OE2 2.93Å; R497-E521 VanDerWaalsContact NH2-CD 3.32Å; R497-E521 IonicContact NH2-OE1 2.64Å; R497-E521 PolarHBondContact NH2-OE1 3.01Å; R497-E521 IonicContact NH2-OE2 3.85Å; R497-E521 PolarHBondContact NH2-OE2 2.78Å; L519-E521 HydrophobicContact CD2-CG 4.38Å; L519-E521 HydrophobicContact CG-CG 4.29Å; E521-D525 PolarHBondContact N-OD2 3.29Å
522	G	82	Confident	90.1	Very high	16 Å²	16	39.5 Å²	39.5	17%	0.165	20%	0.201	C	C	.	.	S	Bend	trans	-102	152.9	-176.8	0	0	0	0	0	114	K487 K524 D525	K487-G522 WeakPolarHBondContact CE-O 3.44Å; G522-K524 VanDerWaalsContact C-N 3.35Å; G522-D525 WeakPolarHBondContact CA-OD2 3.47Å; G522-D525 PolarHBondContact N-OD2 3Å; G522-D525 VanDerWaalsContact O-CB 3.3Å; G522-D525 WeakPolarHBondContact O-CB 2.83Å; G522-D525 PolarHBondContact O-N 3.43Å
523	R	80.4	Confident	89.3	Confident	187 Å²	187	42.3 Å²	42.3	71%	0.706	22%	0.216	S	C	*	.	H	α-helix	trans	-65.2	-37.9	176.9	-165.5	177.6	-167.7	172.6	4	112.4	D525 V526 S553	R523-D525 PolarHBondContact O-N 2.91Å; R523-V526 WeakPolarHBondContact O-CB 3.49Å; R523-V526 PolarHBondContact O-N 3.19Å; R523-V526 VanDerWaalsContact O-N 3.17Å; R523-S553 PolarHBondContact NH2-OG 2.88Å
524	K	83.4	Confident	88.6	Confident	165 Å²	165	48 Å²	48	72%	0.717	24%	0.244	S	C	*	.	H	α-helix	trans	-61.3	-28.3	176.4	-68.3	-173.2	177.5	-178.7	0	112.6	G522 V526 D527 Y528	G522-K524 VanDerWaalsContact C-N 3.35Å; K524-V526 VanDerWaalsContact C-N 3.26Å; K524-V526 PolarHBondContact O-N 3.06Å; K524-D527 PolarHBondContact O-N 3.33Å; K524-Y528 PolarHBondContact O-N 2.94Å
525	D	88.1	Confident	87.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-36.1	178.8	-48.3	-12.5	0	0	0	110.7	R338 I342 L520 E521 G522 R523 Y528 V529	R338-D525 IonicContact CZ-OD1 2.81Å; R338-D525 IonicContact CZ-OD2 2.96Å; R338-D525 IonicContact NE-OD1 3.72Å; R338-D525 PolarHBondContact NE-OD1 3.36Å; R338-D525 IonicContact NH2-OD1 3.44Å; R338-D525 PolarHBondContact NH2-OD1 2.94Å; R338-D525 IonicContact NH2-OD2 3.23Å; R338-D525 PolarHBondContact NH2-OD2 2.98Å; I342-D525 HydrophobicContact CD1-CB 3.85Å; I342-D525 HydrophobicContact CG1-CB 3.88Å; I342-D525 HydrophobicContact CG2-CB 4.34Å; L520-D525 HydrophobicContact CB-CB 4.2Å; L520-D525 HydrophobicContact CD2-CB 4.28Å; E521-D525 PolarHBondContact N-OD2 3.29Å; G522-D525 WeakPolarHBondContact CA-OD2 3.47Å; G522-D525 PolarHBondContact N-OD2 3Å; G522-D525 VanDerWaalsContact O-CB 3.3Å; G522-D525 WeakPolarHBondContact O-CB 2.83Å; G522-D525 PolarHBondContact O-N 3.43Å; R523-D525 PolarHBondContact O-N 2.91Å; D525-Y528 PolarHBondContact O-N 3.16Å; D525-V529 WeakPolarHBondContact O-CB 3.26Å; D525-V529 VanDerWaalsContact O-CG2 3.29Å; D525-V529 WeakPolarHBondContact O-CG2 3.19Å; D525-V529 PolarHBondContact O-N 2.86Å
526	V	87.7	Confident	87.1	Confident	12 Å²	12	60 Å²	60	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-47.2	175.5	178.4	0	0	0	0	110.9	M460 I462 K487 R523 K524 Y528 V529 L530	M460-V526 HydrophobicContact CE-CG1 3.89Å; M460-V526 HydrophobicContact SD-CG1 4.24Å; I462-V526 HydrophobicContact CD1-CG1 3.69Å; I462-V526 HydrophobicContact CD1-CG2 4.21Å; K487-V526 HydrophobicContact CB-CG2 4.3Å; K487-V526 HydrophobicContact CD-CG2 4.29Å; K487-V526 HydrophobicContact CG-CG2 3.73Å; R523-V526 WeakPolarHBondContact O-CB 3.49Å; R523-V526 PolarHBondContact O-N 3.19Å; R523-V526 VanDerWaalsContact O-N 3.17Å; K524-V526 VanDerWaalsContact C-N 3.26Å; K524-V526 PolarHBondContact O-N 3.06Å; V526-Y528 VanDerWaalsContact C-N 3.29Å; V526-Y528 PolarHBondContact O-N 2.69Å; V526-V529 PolarHBondContact O-N 3.06Å; V526-L530 HydrophobicContact CG1-CD1 3.87Å; V526-L530 HydrophobicContact CG1-CG 4.33Å; V526-L530 WeakPolarHBondContact O-CB 3.25Å; V526-L530 VanDerWaalsContact O-CG 3.27Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 2.93Å
527	D	87.8	Confident	86.6	Confident	66 Å²	66	61 Å²	61	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-40.7	-179.9	-67.9	-31.2	0	0	0	111	K524 L530 Q531	K524-D527 PolarHBondContact O-N 3.33Å; D527-L530 PolarHBondContact O-N 3.28Å; D527-Q531 WeakPolarHBondContact O-CB 3.36Å; D527-Q531 VanDerWaalsContact O-CG 3.22Å; D527-Q531 WeakPolarHBondContact O-CG 3.47Å; D527-Q531 PolarHBondContact O-N 2.98Å; D527-Q531 PolarHBondContact O-NE2 3.18Å
528	Y	89.2	Confident	86.3	Confident	37 Å²	37	62.1 Å²	62.1	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-48.5	175.7	-177.2	-94.8	0	0	0	112.1	E339 I342 K343 K524 D525 V526 L530 Q531 G532 F538	E339-Y528 HydrophobicContact CB-CD2 3.96Å; E339-Y528 HydrophobicContact CB-CE1 4.36Å; E339-Y528 HydrophobicContact CB-CE2 3.48Å; E339-Y528 VanDerWaalsContact CB-CE2 3.48Å; E339-Y528 VanDerWaalsContact CD-CD2 3.5Å; E339-Y528 VanDerWaalsContact CD-CE2 3.43Å; E339-Y528 HydrophobicContact CG-CD2 3.53Å; E339-Y528 HydrophobicContact CG-CE2 3.54Å; E339-Y528 HydrophobicContact CG-CG 4.24Å; E339-Y528 WeakPolarHBondContact O-CE1 3.26Å; E339-Y528 WeakPolarHBondContact OE2-CE2 3.19Å; I342-Y528 HydrophobicContact CB-CD1 4.1Å; I342-Y528 HydrophobicContact CB-CE1 4.45Å; I342-Y528 HydrophobicContact CG2-CD1 3.71Å; I342-Y528 HydrophobicContact CG2-CE1 4.35Å; K343-Y528 HydrophobicContact CB-CE1 3.99Å; K524-Y528 PolarHBondContact O-N 2.94Å; D525-Y528 PolarHBondContact O-N 3.16Å; V526-Y528 VanDerWaalsContact C-N 3.29Å; V526-Y528 PolarHBondContact O-N 2.69Å; Y528-L530 VanDerWaalsContact C-N 3.3Å; Y528-L530 PolarHBondContact O-N 2.78Å; Y528-Q531 PolarHBondContact O-N 2.83Å; Y528-G532 PolarHBondContact O-N 2.82Å; Y528-F538 HydrophobicContact CD1-CE2 4.38Å; Y528-F538 AromaticContact CE1-CE2 3.84Å; Y528-F538 HydrophobicContact CE1-CE2 3.84Å; Y528-F538 HydrophobicContact CE1-CZ 4.35Å
529	V	91	Very high	86.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-39.4	178.5	167.5	0	0	0	0	112	I342 M460 L485 L520 D525 V526 S537 F538 V539	I342-V529 HydrophobicContact CG2-CG2 3.59Å; M460-V529 HydrophobicContact CE-CG1 4.32Å; M460-V529 HydrophobicContact SD-CB 4.34Å; M460-V529 HydrophobicContact SD-CG1 3.88Å; L485-V529 HydrophobicContact CD1-CG1 3.83Å; L485-V529 HydrophobicContact CD1-CG2 4.09Å; L520-V529 HydrophobicContact CD1-CG2 4.07Å; L520-V529 HydrophobicContact CD2-CG2 4.41Å; D525-V529 WeakPolarHBondContact O-CB 3.26Å; D525-V529 VanDerWaalsContact O-CG2 3.29Å; D525-V529 WeakPolarHBondContact O-CG2 3.19Å; D525-V529 PolarHBondContact O-N 2.86Å; V526-V529 PolarHBondContact O-N 3.06Å; V529-S537 PolarHBondContact O-OG 2.83Å; V529-F538 HydrophobicContact CG1-CB 4.43Å; V529-F538 PolarHBondContact O-N 2.77Å; V529-V539 HydrophobicContact CG1-CB 4.38Å; V529-V539 HydrophobicContact CG1-CG1 3.48Å; V529-V539 VanDerWaalsContact CG1-CG1 3.48Å; V529-V539 HydrophobicContact CG1-CG2 3.99Å
530	L	89.9	Confident	86.3	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-40.6	178.5	-71.7	174.8	0	0	0	112.8	M460 V526 D527 Y528 V542 A557 A558 A561 T563	M460-L530 HydrophobicContact CE-CD1 4.45Å; M460-L530 HydrophobicContact CE-CD2 3.64Å; M460-L530 HydrophobicContact CE-CG 3.86Å; V526-L530 HydrophobicContact CG1-CD1 3.87Å; V526-L530 HydrophobicContact CG1-CG 4.33Å; V526-L530 WeakPolarHBondContact O-CB 3.25Å; V526-L530 VanDerWaalsContact O-CG 3.27Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 2.93Å; D527-L530 PolarHBondContact O-N 3.28Å; Y528-L530 VanDerWaalsContact C-N 3.3Å; Y528-L530 PolarHBondContact O-N 2.78Å; L530-V542 HydrophobicContact CD2-CG2 3.75Å; L530-A557 HydrophobicContact CD1-CB 3.94Å; L530-A558 HydrophobicContact CD1-CB 4.45Å; L530-A558 HydrophobicContact CD2-CB 4.25Å; L530-A561 HydrophobicContact CB-CB 4.01Å; L530-T563 WeakPolarHBondContact O-CG2 3.28Å; L530-T563 PolarHBondContact O-OG1 2.84Å; L530-T563 VanDerWaalsContact O-OG1 3.08Å
531	Q	87.5	Confident	86.4	Confident	112 Å²	112	64.1 Å²	64.1	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-69.6	-39.1	177.9	-73.6	171.9	48.6	0	0	111.8	D527 Y528 A561 T563	D527-Q531 WeakPolarHBondContact O-CB 3.36Å; D527-Q531 VanDerWaalsContact O-CG 3.22Å; D527-Q531 WeakPolarHBondContact O-CG 3.47Å; D527-Q531 PolarHBondContact O-N 2.98Å; D527-Q531 PolarHBondContact O-NE2 3.18Å; Y528-Q531 PolarHBondContact O-N 2.83Å; Q531-A561 HydrophobicContact CG-CB 4.14Å; Q531-T563 WeakPolarHBondContact O-CG2 3.48Å
532	G	83.2	Confident	86.7	Confident	17 Å²	17	60.8 Å²	60.8	18%	0.175	29%	0.293	C	S	.	.			trans	62.9	-160.4	178.5	0	0	0	0	0	113.7	Y528 Q536	Y528-G532 PolarHBondContact O-N 2.82Å; G532-Q536 VanDerWaalsContact CA-O 3.28Å; G532-Q536 WeakPolarHBondContact CA-O 3.49Å
533	I	79.8	Confident	87.3	Confident	74 Å²	74	60.1 Å²	60.1	38%	0.379	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-109.9	134.4	175.4	-59.6	173.3	0	0	0	107.8	K343 K535 Q536 F538	K343-I533 HydrophobicContact CD-CD1 3.99Å; I533-K535 PolarHBondContact O-N 3.48Å; I533-K535 VanDerWaalsContact O-N 3.11Å; I533-Q536 PolarHBondContact N-O 3.33Å; I533-Q536 WeakPolarHBondContact O-CB 3.46Å; I533-Q536 PolarHBondContact O-N 3.27Å; I533-F538 HydrophobicContact CD1-CE1 4.3Å; I533-F538 HydrophobicContact CD1-CZ 3.78Å; I533-F538 HydrophobicContact CG1-CE2 4.41Å; I533-F538 HydrophobicContact CG1-CZ 3.8Å
534	D	78.7	Confident	87.8	Confident	155 Å²	155	51.5 Å²	51.5	83%	0.829	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.8	-178.8	-62.2	-35.3	0	0	0	114.2	Q536	D534-Q536 PolarHBondContact O-N 2.91Å
535	K	72.7	Confident	88	Confident	161 Å²	161	46.2 Å²	46.2	70%	0.7	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	18	-173.8	-53.2	-179.5	178.3	179.8	0	114.7	I533 T563	I533-K535 PolarHBondContact O-N 3.48Å; I533-K535 VanDerWaalsContact O-N 3.11Å; K535-T563 VanDerWaalsContact O-CG2 3.3Å; K535-T563 WeakPolarHBondContact O-CG2 3.26Å
536	Q	80.9	Confident	87.8	Confident	154 Å²	154	47 Å²	47	72%	0.72	24%	0.238	S	C	*	.	B	Isolated β-bridge	trans	-96.5	107.5	164.9	-68.3	-174.4	3.9	0	0	108.7	G532 I533 D534	G532-Q536 VanDerWaalsContact CA-O 3.28Å; G532-Q536 WeakPolarHBondContact CA-O 3.49Å; I533-Q536 PolarHBondContact N-O 3.33Å; I533-Q536 WeakPolarHBondContact O-CB 3.46Å; I533-Q536 PolarHBondContact O-N 3.27Å; D534-Q536 PolarHBondContact O-N 2.91Å
537	S	86.2	Confident	87.5	Confident	23 Å²	23	49 Å²	49	16%	0.161	25%	0.253	C	S	.	.			trans	-63.2	151.1	174.7	-174.9	0	0	0	0	110.9	V529 V539	V529-S537 PolarHBondContact O-OG 2.83Å; S537-V539 PolarHBondContact O-N 3.15Å; S537-V539 VanDerWaalsContact OG-CG2 3.26Å; S537-V539 WeakPolarHBondContact OG-CG2 3.06Å; S537-V539 PolarHBondContact OG-N 3.48Å
538	F	90.4	Very high	87.1	Confident	25 Å²	25	48.7 Å²	48.7	11%	0.11	26%	0.256	C	S	.	.	S	Bend	trans	-74.4	-12.5	173.5	-62.1	-83	0	0	0	113.2	K343 A346 R350 Y528 V529 I533	K343-F538 HydrophobicContact CB-CZ 4.3Å; K343-F538 HydrophobicContact CG-CE1 4.13Å; K343-F538 HydrophobicContact CG-CZ 3.9Å; A346-F538 HydrophobicContact CB-CB 3.66Å; A346-F538 HydrophobicContact CB-CD1 3.91Å; A346-F538 HydrophobicContact CB-CD2 4.25Å; A346-F538 HydrophobicContact CB-CG 3.69Å; R350-F538 PolarHBondContact NE-O 3.34Å; R350-F538 PolarHBondContact NH2-O 2.87Å; Y528-F538 HydrophobicContact CD1-CE2 4.38Å; Y528-F538 AromaticContact CE1-CE2 3.84Å; Y528-F538 HydrophobicContact CE1-CE2 3.84Å; Y528-F538 HydrophobicContact CE1-CZ 4.35Å; V529-F538 HydrophobicContact CG1-CB 4.43Å; V529-F538 PolarHBondContact O-N 2.77Å; I533-F538 HydrophobicContact CD1-CE1 4.3Å; I533-F538 HydrophobicContact CD1-CZ 3.78Å; I533-F538 HydrophobicContact CG1-CE2 4.41Å; I533-F538 HydrophobicContact CG1-CZ 3.8Å
539	V	95.8	Very high	86.9	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	29%	0.286	C	S	.	.			trans	-119.6	151.4	-174	-62.5	0	0	0	0	111.1	V458 M460 L485 V529 S537 V542 V565	V458-V539 HydrophobicContact CG1-CG1 4.03Å; M460-V539 HydrophobicContact CB-CB 4.37Å; M460-V539 HydrophobicContact CB-CG1 3.9Å; M460-V539 HydrophobicContact CB-CG2 4.48Å; M460-V539 HydrophobicContact CE-CG2 4.44Å; L485-V539 HydrophobicContact CD1-CG1 3.72Å; L485-V539 HydrophobicContact CG-CG1 4.46Å; V529-V539 HydrophobicContact CG1-CB 4.38Å; V529-V539 HydrophobicContact CG1-CG1 3.48Å; V529-V539 VanDerWaalsContact CG1-CG1 3.48Å; V529-V539 HydrophobicContact CG1-CG2 3.99Å; S537-V539 PolarHBondContact O-N 3.15Å; S537-V539 VanDerWaalsContact OG-CG2 3.26Å; S537-V539 WeakPolarHBondContact OG-CG2 3.06Å; S537-V539 PolarHBondContact OG-N 3.48Å; V539-V542 HydrophobicContact CG2-CG2 4.31Å; V539-V565 HydrophobicContact CG2-CG1 4.08Å; V539-V565 HydrophobicContact CG2-CG2 4.43Å; V539-V565 WeakPolarHBondContact O-CG2 3.2Å
540	D	95.6	Very high	86.6	Confident	57 Å²	57	56.2 Å²	56.2	31%	0.305	29%	0.29	S	S	.	.	S	Bend	trans	-105.1	-20.4	-179.1	-56.9	-63	0	0	0	112.5	R350 I456 G457 V458 P566	R350-D540 IonicContact CZ-OD1 2.86Å; R350-D540 IonicContact CZ-OD2 2.8Å; R350-D540 IonicContact NH1-OD1 3.6Å; R350-D540 IonicContact NH1-OD2 3.27Å; R350-D540 PolarHBondContact NH1-OD2 2.88Å; R350-D540 VanDerWaalsContact NH2-CG 3.28Å; R350-D540 IonicContact NH2-OD1 3.34Å; R350-D540 PolarHBondContact NH2-OD1 3.18Å; R350-D540 IonicContact NH2-OD2 3.49Å; R350-D540 PolarHBondContact NH2-OD2 2.61Å; I456-D540 HydrophobicContact CG2-CB 3.57Å; G457-D540 WeakPolarHBondContact CA-OD2 3.38Å; V458-D540 PolarHBondContact N-OD2 3.13Å; V458-D540 PolarHBondContact O-N 2.78Å; D540-P566 VanDerWaalsContact O-CD 3.27Å; D540-P566 WeakPolarHBondContact O-CD 3.49Å; D540-P566 WeakPolarHBondContact O-CG 3.41Å
541	L	95.8	Very high	86.5	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	135.6	179	179.9	65.4	0	0	0	111.1	I456 L459 M460 I543 P566 M568	I456-L541 HydrophobicContact CD1-CD2 3.79Å; I456-L541 HydrophobicContact CG2-CB 4.07Å; L459-L541 CarbonylContact C-O 3.55Å; L459-L541 WeakPolarHBondContact CA-O 3.49Å; L459-L541 HydrophobicContact CD2-CB 3.88Å; L459-L541 HydrophobicContact CD2-CD2 4.09Å; L459-L541 HydrophobicContact CD2-CG 4.44Å; M460-L541 PolarHBondContact N-O 2.87Å; L541-I543 HydrophobicContact CD2-CD1 4.03Å; L541-I543 HydrophobicContact CD2-CG1 4.07Å; L541-I543 HydrophobicContact CG-CD1 4.49Å; L541-I543 HydrophobicContact CG-CG1 4.05Å; L541-P566 HydrophobicContact CD1-CB 4.09Å; L541-P566 HydrophobicContact CD1-CG 3.8Å; L541-M568 HydrophobicContact CD1-CB 3.82Å; L541-M568 HydrophobicContact CD1-CE 4.12Å; L541-M568 HydrophobicContact CD2-CE 3.66Å; L541-M568 HydrophobicContact CD2-SD 4.33Å
542	V	95.2	Very high	86.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.3	173.4	-175.7	0	0	0	0	110.2	M460 I462 L530 V539 I554 V565 P566 V567 M568	M460-V542 HydrophobicContact CB-CG2 4.44Å; M460-V542 HydrophobicContact CE-CG1 4.06Å; M460-V542 HydrophobicContact CE-CG2 3.68Å; M460-V542 CarbonylContact O-C 3.54Å; M460-V542 WeakPolarHBondContact O-CA 3.43Å; I462-V542 HydrophobicContact CD1-CG1 4.04Å; I462-V542 HydrophobicContact CG1-CG1 4.44Å; L530-V542 HydrophobicContact CD2-CG2 3.75Å; V539-V542 HydrophobicContact CG2-CG2 4.31Å; V542-I554 HydrophobicContact CG1-CG2 3.66Å; V542-V565 HydrophobicContact CG2-CG1 3.69Å; V542-P566 PolarHBondContact N-O 3.35Å; V542-V567 HydrophobicContact CB-CG1 4.49Å; V542-V567 HydrophobicContact CB-CG2 4.2Å; V542-V567 CarbonylContact O-C 3.56Å; V542-V567 WeakPolarHBondContact O-CA 3.18Å; V542-M568 PolarHBondContact O-N 3.33Å
543	I	93.8	Very high	86.8	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	96	-178.6	-50	176.5	0	0	0	108.9	M460 V461 I462 L541 V733 L751	M460-I543 PolarHBondContact O-N 3.33Å; V461-I543 WeakPolarHBondContact CA-O 3.3Å; V461-I543 HydrophobicContact CG2-CB 4.25Å; V461-I543 HydrophobicContact CG2-CD1 4.45Å; I462-I543 PolarHBondContact N-O 2.87Å; I462-I543 VanDerWaalsContact N-O 3.08Å; L541-I543 HydrophobicContact CD2-CD1 4.03Å; L541-I543 HydrophobicContact CD2-CG1 4.07Å; L541-I543 HydrophobicContact CG-CD1 4.49Å; L541-I543 HydrophobicContact CG-CG1 4.05Å; I543-V733 HydrophobicContact CD1-CB 4.27Å; I543-V733 HydrophobicContact CD1-CG2 4.05Å; I543-V733 HydrophobicContact CG2-CB 4.38Å; I543-V733 HydrophobicContact CG2-CG2 4.45Å; I543-L751 HydrophobicContact CD1-CD2 3.82Å
544	P	92.1	Very high	87.3	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.032	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.9	175.3	33.9	-36.2	0	0	0	111.7	I462 M550 I551 I554 V567 M568	I462-P544 CarbonylContact O-C 3.53Å; I462-P544 WeakPolarHBondContact O-CA 3.5Å; P544-M550 HydrophobicContact CB-CE 4.48Å; P544-I551 HydrophobicContact CB-CG1 3.85Å; P544-I551 HydrophobicContact CG-CB 4.23Å; P544-I551 HydrophobicContact CG-CG1 3.82Å; P544-I551 HydrophobicContact CG-CG2 3.95Å; P544-I554 HydrophobicContact CB-CD1 3.61Å; P544-V567 HydrophobicContact CG-CG1 3.83Å; P544-M568 WeakPolarHBondContact CD-O 2.89Å
545	R	87.6	Confident	87.8	Confident	54 Å²	54	50 Å²	50	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	84.8	178.4	-77.1	-77.2	-82.7	-147.1	11.1	109.7	I462 F463 E464 E732 V733	I462-R545 PolarHBondContact O-N 3.19Å; F463-R545 VanDerWaalsContact CA-O 3.32Å; F463-R545 WeakPolarHBondContact CA-O 3.14Å; F463-R545 HydrophobicContact CB-CB 3.94Å; E464-R545 PolarHBondContact N-O 3.22Å; R545-E732 IonicContact CZ-OE1 2.88Å; R545-E732 IonicContact NH1-OE1 3.75Å; R545-E732 PolarHBondContact NH1-OE1 2.86Å; R545-E732 IonicContact NH2-OE1 2.85Å; R545-V733 WeakPolarHBondContact CD-O 3.44Å; R545-V733 WeakPolarHBondContact CG-O 3.47Å; R545-V733 PolarHBondContact NE-O 3.39Å; R545-V733 PolarHBondContact NH1-O 2.7Å
546	G	82.6	Confident	88.6	Confident	22 Å²	22	46.2 Å²	46.2	23%	0.227	24%	0.239	C	C	.	.	S	Bend	trans	-175	-149.6	-178.2	0	0	0	0	0	112.6
547	S	81.5	Confident	88.9	Confident	54 Å²	54	40 Å²	40	38%	0.378	21%	0.214	S	C	.	.			trans	-69.7	155.6	-177.5	65.4	0	0	0	0	112.9	K549 M550 I551	S547-K549 PolarHBondContact O-N 3.11Å; S547-K549 VanDerWaalsContact O-N 3.16Å; S547-M550 WeakPolarHBondContact O-CB 3.43Å; S547-M550 PolarHBondContact O-N 2.91Å; S547-M550 WeakPolarHBondContact OG-CB 3.34Å; S547-M550 PolarHBondContact OG-N 3.48Å; S547-I551 WeakPolarHBondContact O-CG1 3.37Å; S547-I551 PolarHBondContact O-N 2.64Å
548	S	80	Confident	89.1	Confident	59 Å²	59	39 Å²	39	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-49.3	-41.6	171.9	-47.5	0	0	0	0	112.6	I551 E552 G571	S548-I551 PolarHBondContact O-N 3.31Å; S548-E552 WeakPolarHBondContact O-CB 3.26Å; S548-E552 PolarHBondContact O-N 3.4Å; S548-G571 VanDerWaalsContact CA-O 3.29Å; S548-G571 WeakPolarHBondContact CA-O 3.29Å; S548-G571 WeakPolarHBondContact CB-O 3.45Å; S548-G571 PolarHBondContact OG-O 2.8Å
549	K	84	Confident	89	Confident	179 Å²	179	43 Å²	43	78%	0.778	23%	0.23	S	C	*	.	H	α-helix	trans	-65.7	-39.8	179.5	-170.7	179.4	-179	-178	0	112.2	S547 S553	S547-K549 PolarHBondContact O-N 3.11Å; S547-K549 VanDerWaalsContact O-N 3.16Å; K549-S553 WeakPolarHBondContact O-CB 3.45Å; K549-S553 PolarHBondContact O-N 2.77Å
550	M	86.2	Confident	88.6	Confident	16 Å²	16	52.1 Å²	52.1	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-47.4	175.1	175.9	-155.4	174.5	0	0	110.6	I462 E464 P544 S547 E552 S553 I554	I462-M550 VanDerWaalsContact C-CE 3.44Å; I462-M550 HydrophobicContact CB-CE 3.65Å; I462-M550 HydrophobicContact CG2-CE 3.23Å; I462-M550 WeakPolarHBondContact O-CE 3.47Å; E464-M550 HydrophobicContact CB-SD 4.38Å; E464-M550 HydrophobicContact CG-CE 4.14Å; E464-M550 HydrophobicContact CG-SD 3.63Å; E464-M550 WeakPolarHBondContact OE1-CG 3.24Å; P544-M550 HydrophobicContact CB-CE 4.48Å; S547-M550 WeakPolarHBondContact O-CB 3.43Å; S547-M550 PolarHBondContact O-N 2.91Å; S547-M550 WeakPolarHBondContact OG-CB 3.34Å; S547-M550 PolarHBondContact OG-N 3.48Å; M550-E552 VanDerWaalsContact C-N 3.33Å; M550-E552 PolarHBondContact O-N 3.08Å; M550-S553 WeakPolarHBondContact O-CB 3.38Å; M550-S553 PolarHBondContact O-N 2.87Å; M550-I554 HydrophobicContact CE-CD1 3.63Å; M550-I554 HydrophobicContact CG-CD1 3.74Å; M550-I554 WeakPolarHBondContact O-CG1 3.45Å; M550-I554 PolarHBondContact O-N 2.81Å; M550-I554 HydrophobicContact SD-CD1 4.42Å
551	I	87.2	Confident	88.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-45.2	-179.9	-63.8	174.3	0	0	0	110.5	P544 S547 S548 I554 R555 H570	P544-I551 HydrophobicContact CB-CG1 3.85Å; P544-I551 HydrophobicContact CG-CB 4.23Å; P544-I551 HydrophobicContact CG-CG1 3.82Å; P544-I551 HydrophobicContact CG-CG2 3.95Å; S547-I551 WeakPolarHBondContact O-CG1 3.37Å; S547-I551 PolarHBondContact O-N 2.64Å; S548-I551 PolarHBondContact O-N 3.31Å; I551-I554 PolarHBondContact O-N 3.44Å; I551-R555 WeakPolarHBondContact O-CB 3.38Å; I551-R555 PolarHBondContact O-N 3.4Å; I551-H570 WeakPolarHBondContact CD1-O 3.29Å
552	E	87.2	Confident	87.8	Confident	90 Å²	90	52.6 Å²	52.6	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-39.8	176.8	-173	54.5	-152.8	0	0	112.2	S548 M550 I554 R555 N556	S548-E552 WeakPolarHBondContact O-CB 3.26Å; S548-E552 PolarHBondContact O-N 3.4Å; M550-E552 VanDerWaalsContact C-N 3.33Å; M550-E552 PolarHBondContact O-N 3.08Å; E552-I554 VanDerWaalsContact C-N 3.32Å; E552-I554 PolarHBondContact O-N 2.86Å; E552-R555 PolarHBondContact O-N 2.72Å; E552-N556 WeakPolarHBondContact O-CB 3.49Å; E552-N556 VanDerWaalsContact O-CG 3.31Å; E552-N556 PolarHBondContact O-N 2.85Å; E552-N556 PolarHBondContact O-ND2 2.85Å; E552-N556 PolarHBondContact OE1-ND2 2.97Å
553	S	89.2	Confident	87.4	Confident	47 Å²	47	54 Å²	54	33%	0.329	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-41.8	173.9	-176.9	0	0	0	0	111.9	R523 K549 M550 A557	R523-S553 PolarHBondContact NH2-OG 2.88Å; K549-S553 WeakPolarHBondContact O-CB 3.45Å; K549-S553 PolarHBondContact O-N 2.77Å; M550-S553 WeakPolarHBondContact O-CB 3.38Å; M550-S553 PolarHBondContact O-N 2.87Å; S553-A557 WeakPolarHBondContact O-CB 3.43Å; S553-A557 PolarHBondContact O-N 3.19Å
554	I	90.1	Very high	87.1	Confident	13 Å²	13	57.4 Å²	57.4	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-72	-42.1	-178.9	-69.3	161.2	0	0	0	110.6	I462 V542 P544 M550 I551 E552 N556 A557 A558 V567	I462-I554 HydrophobicContact CB-CD1 3.96Å; I462-I554 HydrophobicContact CD1-CD1 3.65Å; I462-I554 HydrophobicContact CD1-CG1 3.93Å; I462-I554 HydrophobicContact CD1-CG2 4.06Å; I462-I554 HydrophobicContact CG1-CD1 4.35Å; I462-I554 HydrophobicContact CG2-CD1 3.98Å; V542-I554 HydrophobicContact CG1-CG2 3.66Å; P544-I554 HydrophobicContact CB-CD1 3.61Å; M550-I554 HydrophobicContact CE-CD1 3.63Å; M550-I554 HydrophobicContact CG-CD1 3.74Å; M550-I554 WeakPolarHBondContact O-CG1 3.45Å; M550-I554 PolarHBondContact O-N 2.81Å; M550-I554 HydrophobicContact SD-CD1 4.42Å; I551-I554 PolarHBondContact O-N 3.44Å; E552-I554 VanDerWaalsContact C-N 3.32Å; E552-I554 PolarHBondContact O-N 2.86Å; I554-N556 VanDerWaalsContact C-N 3.31Å; I554-N556 PolarHBondContact O-N 3.26Å; I554-A557 PolarHBondContact O-N 2.97Å; I554-A558 WeakPolarHBondContact O-CB 3.38Å; I554-A558 PolarHBondContact O-N 2.9Å; I554-V567 HydrophobicContact CG2-CG1 4.22Å
555	R	89.3	Confident	87.1	Confident	76 Å²	76	58 Å²	58	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-44.1	174.5	-174.6	175.2	-81.5	129	-2.8	111.1	I551 E552 A558 N559	I551-R555 WeakPolarHBondContact O-CB 3.38Å; I551-R555 PolarHBondContact O-N 3.4Å; E552-R555 PolarHBondContact O-N 2.72Å; R555-A558 PolarHBondContact O-N 3.44Å; R555-N559 WeakPolarHBondContact O-CB 3.41Å; R555-N559 PolarHBondContact O-N 3.27Å; R555-N559 PolarHBondContact O-ND2 2.94Å
556	N	89.8	Confident	87.4	Confident	81 Å²	81	58.6 Å²	58.6	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-39.4	175.2	-74.4	-45.1	0	0	0	112.8	E552 I554 K560	E552-N556 WeakPolarHBondContact O-CB 3.49Å; E552-N556 VanDerWaalsContact O-CG 3.31Å; E552-N556 PolarHBondContact O-N 2.85Å; E552-N556 PolarHBondContact O-ND2 2.85Å; E552-N556 PolarHBondContact OE1-ND2 2.97Å; I554-N556 VanDerWaalsContact C-N 3.31Å; I554-N556 PolarHBondContact O-N 3.26Å; N556-K560 WeakPolarHBondContact O-CB 3.37Å; N556-K560 PolarHBondContact O-N 3.36Å
557	A	88.5	Confident	87.8	Confident	22 Å²	22	58.6 Å²	58.6	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-46	175.2	0	0	0	0	0	112.1	L530 S553 I554 K560 A561	L530-A557 HydrophobicContact CD1-CB 3.94Å; S553-A557 WeakPolarHBondContact O-CB 3.43Å; S553-A557 PolarHBondContact O-N 3.19Å; I554-A557 PolarHBondContact O-N 2.97Å; A557-K560 PolarHBondContact O-N 3.45Å; A557-A561 WeakPolarHBondContact O-CB 3.4Å; A557-A561 PolarHBondContact O-N 3.36Å
558	A	89	Confident	88.2	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-43.4	177.1	0	0	0	0	0	111.9	L530 I554 R555 K560 A561 G562 V567	L530-A558 HydrophobicContact CD1-CB 4.45Å; L530-A558 HydrophobicContact CD2-CB 4.25Å; I554-A558 WeakPolarHBondContact O-CB 3.38Å; I554-A558 PolarHBondContact O-N 2.9Å; R555-A558 PolarHBondContact O-N 3.44Å; A558-K560 PolarHBondContact O-N 3.42Å; A558-A561 PolarHBondContact O-N 3.26Å; A558-G562 PolarHBondContact O-N 3.31Å; A558-V567 HydrophobicContact CB-CG2 3.64Å
559	N	88.4	Confident	88.3	Confident	110 Å²	110	54 Å²	54	59%	0.588	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-43.4	174.5	-71.7	-19.4	0	0	0	111.7	R555 A561 G562	R555-N559 WeakPolarHBondContact O-CB 3.41Å; R555-N559 PolarHBondContact O-N 3.27Å; R555-N559 PolarHBondContact O-ND2 2.94Å; N559-A561 VanDerWaalsContact C-N 3.34Å; N559-A561 PolarHBondContact O-N 3.01Å; N559-G562 PolarHBondContact O-N 3.18Å
560	K	88.3	Confident	88	Confident	193 Å²	193	47.2 Å²	47.2	84%	0.839	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-36	178.4	-176.7	-177.9	175.8	-171.7	0	112.3	N556 A557 A558 G562	N556-K560 WeakPolarHBondContact O-CB 3.37Å; N556-K560 PolarHBondContact O-N 3.36Å; A557-K560 PolarHBondContact O-N 3.45Å; A558-K560 PolarHBondContact O-N 3.42Å; K560-G562 PolarHBondContact O-N 2.96Å
561	A	87.8	Confident	87.2	Confident	20 Å²	20	47.6 Å²	47.6	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-27.6	176.1	0	0	0	0	0	112.4	L530 Q531 A557 A558 N559 T563	L530-A561 HydrophobicContact CB-CB 4.01Å; Q531-A561 HydrophobicContact CG-CB 4.14Å; A557-A561 WeakPolarHBondContact O-CB 3.4Å; A557-A561 PolarHBondContact O-N 3.36Å; A558-A561 PolarHBondContact O-N 3.26Å; N559-A561 VanDerWaalsContact C-N 3.34Å; N559-A561 PolarHBondContact O-N 3.01Å; A561-T563 HydrophobicContact CB-CG2 4.39Å; A561-T563 PolarHBondContact O-N 3.42Å
562	G	85.9	Confident	86.9	Confident	55 Å²	55	49.7 Å²	49.7	57%	0.567	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	17.5	173.7	0	0	0	0	0	114.5	A558 N559 K560	A558-G562 PolarHBondContact O-N 3.31Å; N559-G562 PolarHBondContact O-N 3.18Å; K560-G562 PolarHBondContact O-N 2.96Å
563	T	86.4	Confident	86.9	Confident	30 Å²	30	45.4 Å²	45.4	18%	0.184	28%	0.283	C	S	.	.	S	Bend	trans	-86.6	-10.9	-180	55.1	0	0	0	0	113.3	L530 Q531 K535 A561 V565	L530-T563 WeakPolarHBondContact O-CG2 3.28Å; L530-T563 PolarHBondContact O-OG1 2.84Å; L530-T563 VanDerWaalsContact O-OG1 3.08Å; Q531-T563 WeakPolarHBondContact O-CG2 3.48Å; K535-T563 VanDerWaalsContact O-CG2 3.3Å; K535-T563 WeakPolarHBondContact O-CG2 3.26Å; A561-T563 HydrophobicContact CB-CG2 4.39Å; A561-T563 PolarHBondContact O-N 3.42Å; T563-V565 VanDerWaalsContact C-N 3.29Å; T563-V565 PolarHBondContact O-N 2.95Å; T563-V565 WeakPolarHBondContact OG1-CG2 3.44Å
564	G	88.1	Confident	87.2	Confident	72 Å²	72	43.3 Å²	43.3	74%	0.742	27%	0.268	S	S	*	.			trans	77.8	9.8	179.7	0	0	0	0	0	114.5	P566	G564-P566 WeakPolarHBondContact O-CD 2.91Å
565	V	92.2	Very high	87.6	Confident	17 Å²	17	42.7 Å²	42.7	10%	0.103	27%	0.265	C	S	.	.			trans	-62.8	122.4	179	177.5	0	0	0	0	110.3	V539 V542 T563	V539-V565 HydrophobicContact CG2-CG1 4.08Å; V539-V565 HydrophobicContact CG2-CG2 4.43Å; V539-V565 WeakPolarHBondContact O-CG2 3.2Å; V542-V565 HydrophobicContact CG2-CG1 3.69Å; T563-V565 VanDerWaalsContact C-N 3.29Å; T563-V565 PolarHBondContact O-N 2.95Å; T563-V565 WeakPolarHBondContact OG1-CG2 3.44Å
566	P	92.9	Very high	88.1	Confident	67 Å²	67	39 Å²	39	44%	0.435	25%	0.251	S	S	.	.			trans	-69.2	145.1	177.4	27.2	-33.3	0	0	0	111.7	D540 L541 V542 G564	D540-P566 VanDerWaalsContact O-CD 3.27Å; D540-P566 WeakPolarHBondContact O-CD 3.49Å; D540-P566 WeakPolarHBondContact O-CG 3.41Å; L541-P566 HydrophobicContact CD1-CB 4.09Å; L541-P566 HydrophobicContact CD1-CG 3.8Å; V542-P566 PolarHBondContact N-O 3.35Å; G564-P566 WeakPolarHBondContact O-CD 2.91Å
567	V	91.7	Very high	88.5	Confident	23 Å²	23	35.2 Å²	35.2	14%	0.139	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-113.2	115.3	172.1	-174.5	0	0	0	0	108.5	V542 P544 I554 A558	V542-V567 HydrophobicContact CB-CG1 4.49Å; V542-V567 HydrophobicContact CB-CG2 4.2Å; V542-V567 CarbonylContact O-C 3.56Å; V542-V567 WeakPolarHBondContact O-CA 3.18Å; P544-V567 HydrophobicContact CG-CG1 3.83Å; I554-V567 HydrophobicContact CG2-CG1 4.22Å; A558-V567 HydrophobicContact CB-CG2 3.64Å
568	M	90	Very high	89	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.059	22%	0.222	C	C	.	.			trans	-105	119.9	-178.1	179.5	-170.3	-60.4	0	0	110.9	L541 V542 P544 N736 H741 A742 V746	L541-M568 HydrophobicContact CD1-CB 3.82Å; L541-M568 HydrophobicContact CD1-CE 4.12Å; L541-M568 HydrophobicContact CD2-CE 3.66Å; L541-M568 HydrophobicContact CD2-SD 4.33Å; V542-M568 PolarHBondContact O-N 3.33Å; P544-M568 WeakPolarHBondContact CD-O 2.89Å; M568-N736 HydrophobicContact CG-CB 3.84Å; M568-H741 WeakPolarHBondContact CE-CD2 3.4Å; M568-A742 HydrophobicContact CE-CB 4.4Å; M568-V746 HydrophobicContact SD-CB 4.4Å; M568-V746 HydrophobicContact SD-CG1 3.73Å; M568-V746 HydrophobicContact SD-CG2 3.91Å
569	G	82.2	Confident	89.5	Confident	5 Å²	5	34 Å²	34	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	159.3	162	-178.8	0	0	0	0	0	111	N736	G569-N736 PolarHBondContact N-OD1 3.36Å
570	H	77	Confident	89.9	Confident	35 Å²	35	29 Å²	29	16%	0.162	19%	0.194	C	C	.	.			trans	-97.5	134.9	-179	71.6	84.9	0	0	0	110.9	I551 S572 C603 H689 I735 T737	I551-H570 WeakPolarHBondContact CD1-O 3.29Å; H570-S572 PolarHBondContact ND1-O 3.02Å; H570-C603 WeakPolarHBondContact CE1-CB 3.37Å; H570-C603 PolarHBondContact NE2-SG 3.46Å; H570-H689 AromaticContact CD2-NE2 3.95Å; H570-H689 AromaticContact CG-CD2 3.84Å; H570-H689 AromaticContact ND1-CD2 3.94Å; H570-I735 PolarHBondContact CD2-O 3.03Å; H570-I735 VanDerWaalsContact CD2-O 3.25Å; H570-I735 PolarHBondContact N-O 2.97Å; H570-T737 HydrophobicContact CB-CG2 3.72Å
571	G	69.1	Low	90.4	Very high	25 Å²	25	22.6 Å²	22.6	26%	0.258	17%	0.174	S	C	.	.	S	Bend	trans	-80.5	-27.6	177.6	0	0	0	0	0	113.3	S548	S548-G571 VanDerWaalsContact CA-O 3.29Å; S548-G571 WeakPolarHBondContact CA-O 3.29Å; S548-G571 WeakPolarHBondContact CB-O 3.45Å; S548-G571 PolarHBondContact OG-O 2.8Å
572	S	80.8	Confident	90.9	Very high	47 Å²	47	23.5 Å²	23.5	33%	0.329	18%	0.181	S	C	.	.			trans	-150.9	162.9	-179.1	58.8	0	0	0	0	110.9	H570 E661 S687	H570-S572 PolarHBondContact ND1-O 3.02Å; S572-E661 WeakPolarHBondContact CA-OE2 3.36Å; S572-E661 WeakPolarHBondContact CB-OE2 3.24Å; S572-S687 WeakPolarHBondContact O-CB 3.29Å
573	G	89.1	Confident	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	16%	0.158	C	C	.	.			trans	-124.1	41.3	-175.2	0	0	0	0	0	113.7	C575 C603 E661	G573-C575 PolarHBondContact O-N 3.41Å; G573-C575 PolarHBondContact O-SG 2.65Å; G573-C575 VanDerWaalsContact O-SG 3.36Å; G573-C603 CarbonylContact C-O 3.37Å; G573-C603 WeakPolarHBondContact CA-O 3.3Å; G573-E661 VanDerWaalsContact N-CD 3.26Å; G573-E661 PolarHBondContact N-OE2 3.38Å
574	V	95.2	Very high	92	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	16%	0.164	C	C	.	.			trans	-71.7	95.8	176.1	-170.4	0	0	0	0	109	E607 E661 S687	V574-E607 HydrophobicContact CG1-CB 4.36Å; V574-E661 HydrophobicContact CG2-CB 4.14Å; V574-S687 PolarHBondContact N-OG 2.85Å; V574-S687 PolarHBondContact O-N 3.29Å; V574-S687 PolarHBondContact O-OG 2.69Å
575	C	98.1	Very high	92.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.2	-177.4	-60.9	0	0	0	0	111.2	G573 C603 A605 E607 T608 T690	G573-C575 PolarHBondContact O-N 3.41Å; G573-C575 PolarHBondContact O-SG 2.65Å; G573-C575 VanDerWaalsContact O-SG 3.36Å; C575-C603 PolarHBondContact SG-O 3.19Å; C575-A605 WeakPolarHBondContact CB-O 3.5Å; C575-E607 PolarHBondContact O-N 3.15Å; C575-T608 PolarHBondContact O-N 3.25Å; C575-T690 WeakPolarHBondContact CA-O 3.19Å; C575-T690 WeakPolarHBondContact CB-O 3.42Å; C575-T690 PolarHBondContact SG-O 3.11Å
576	H	98.8	Very high	92.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.1	-177.8	-53.9	71.6	0	0	0	112.1	T608 L610 Y681 I682 E691 S692	H576-T608 VanDerWaalsContact CA-O 3.29Å; H576-T608 WeakPolarHBondContact CA-O 3.27Å; H576-T608 VanDerWaalsContact CD2-CB 3.41Å; H576-T608 WeakPolarHBondContact CD2-CB 3.44Å; H576-L610 HydrophobicContact CB-CD1 4.36Å; H576-Y681 AromaticContact CD2-CD1 3.94Å; H576-Y681 AromaticContact CD2-CE1 3.83Å; H576-Y681 AromaticContact NE2-CD1 3.79Å; H576-Y681 AromaticContact NE2-CE1 3.51Å; H576-I682 HydrophobicContact CB-CD1 4.19Å; H576-I682 HydrophobicContact CB-CG1 3.95Å; H576-E691 WeakPolarHBondContact CA-OE2 3.29Å; H576-E691 WeakPolarHBondContact CB-OE2 3.49Å; H576-E691 IonicContact CG-OE2 2.81Å; H576-E691 PolarHBondContact N-OE2 3.23Å; H576-E691 IonicContact ND1-OE1 2.7Å; H576-E691 IonicContact ND1-OE2 3.8Å; H576-E691 PolarHBondContact ND1-OE2 3.25Å; H576-E691 WeakPolarHBondContact O-CA 3.41Å; H576-S692 PolarHBondContact O-N 3.39Å
577	V	98.9	Very high	93	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.4	159.7	179.2	0	0	0	0	107.4	I591 V592 M606 T608 L609 L610 S692 V694 T719	V577-I591 HydrophobicContact CG1-CG2 4.19Å; V577-V592 HydrophobicContact CB-CG2 4.47Å; V577-V592 HydrophobicContact CG1-CG2 3.87Å; V577-M606 HydrophobicContact CB-CG 4.18Å; V577-M606 HydrophobicContact CB-SD 3.68Å; V577-M606 HydrophobicContact CG2-CB 4.08Å; V577-M606 HydrophobicContact CG2-CG 3.79Å; V577-M606 HydrophobicContact CG2-SD 3.65Å; V577-T608 PolarHBondContact N-O 3.06Å; V577-L609 HydrophobicContact CB-CD1 4.4Å; V577-L610 PolarHBondContact O-N 3.48Å; V577-S692 CarbonylContact C-O 3.59Å; V577-S692 WeakPolarHBondContact CA-O 3.39Å; V577-V694 HydrophobicContact CG1-CG2 3.95Å; V577-T719 HydrophobicContact CG2-CG2 3.87Å
578	Y	98.8	Very high	93.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	174	173.1	-131.2	0	0	0	110.7	D580 L610 H612 V672 V675 A678 S692 I693 V694 F704	Y578-D580 HydrophobicContact CD1-CB 4.39Å; Y578-D580 HydrophobicContact CE1-CB 3.72Å; Y578-D580 PolarHBondContact OH-OD1 3.41Å; Y578-L610 CarbonylContact C-O 3.52Å; Y578-L610 WeakPolarHBondContact CA-O 3.14Å; Y578-L610 HydrophobicContact CD2-CB 3.89Å; Y578-L610 HydrophobicContact CG-CB 4.49Å; Y578-H612 HydrophobicContact CE2-CB 4.27Å; Y578-V672 HydrophobicContact CD2-CG2 3.98Å; Y578-V672 HydrophobicContact CE2-CG2 3.48Å; Y578-V672 VanDerWaalsContact CE2-CG2 3.48Å; Y578-V675 HydrophobicContact CE1-CB 4.04Å; Y578-V675 HydrophobicContact CE1-CG2 3.99Å; Y578-V675 PolarHBondContact OH-N 3.07Å; Y578-A678 HydrophobicContact CD1-CB 3.78Å; Y578-A678 HydrophobicContact CD2-CB 3.76Å; Y578-A678 HydrophobicContact CE1-CB 3.92Å; Y578-A678 HydrophobicContact CE2-CB 3.89Å; Y578-A678 HydrophobicContact CG-CB 3.71Å; Y578-S692 PolarHBondContact N-O 3.29Å; Y578-I693 HydrophobicContact CD1-CB 4.37Å; Y578-I693 HydrophobicContact CD1-CD1 3.72Å; Y578-I693 HydrophobicContact CD1-CG1 3.73Å; Y578-I693 HydrophobicContact CE1-CD1 3.88Å; Y578-I693 HydrophobicContact CE1-CG1 4.28Å; Y578-I693 CarbonylContact O-C 3.57Å; Y578-I693 WeakPolarHBondContact O-CA 3.37Å; Y578-V694 PolarHBondContact O-N 3.28Å; Y578-F704 HydrophobicContact CD1-CD2 4.1Å; Y578-F704 HydrophobicContact CD1-CE2 4.05Å; Y578-F704 HydrophobicContact CG-CE2 4.49Å
579	V	98.8	Very high	93.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	99.7	172.8	-176	0	0	0	0	108.2	A583 A588 V592 L609 L610 H612 L620 L624	V579-A583 HydrophobicContact CG1-CB 3.57Å; V579-A588 HydrophobicContact CG1-CB 4.01Å; V579-A588 HydrophobicContact CG2-CB 4.34Å; V579-V592 HydrophobicContact CG2-CG2 4.18Å; V579-L609 HydrophobicContact CG2-CD1 3.83Å; V579-L610 PolarHBondContact N-O 3.04Å; V579-H612 WeakPolarHBondContact O-CB 3.35Å; V579-H612 PolarHBondContact O-N 3.1Å; V579-L620 HydrophobicContact CG1-CD2 4.2Å; V579-L624 HydrophobicContact CG1-CD1 4.42Å; V579-L624 HydrophobicContact CG2-CD1 4.21Å
580	D	98.8	Very high	94.5	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.027	19%	0.185	C	C	.	.			trans	-73.6	158.6	-179.9	172.3	47.1	0	0	0	112	Y578 A582 A583 H615 I693 V694 T695	Y578-D580 HydrophobicContact CD1-CB 4.39Å; Y578-D580 HydrophobicContact CE1-CB 3.72Å; Y578-D580 PolarHBondContact OH-OD1 3.41Å; D580-A582 PolarHBondContact O-N 2.81Å; D580-A582 PolarHBondContact OD2-N 3.34Å; D580-A583 WeakPolarHBondContact O-CB 3.39Å; D580-A583 PolarHBondContact O-N 3.46Å; D580-H615 PolarHBondContact O-NE2 2.89Å; D580-I693 HydrophobicContact CB-CD1 4.25Å; D580-I693 HydrophobicContact CB-CG1 4.36Å; D580-V694 WeakPolarHBondContact CB-O 3.45Å; D580-V694 PolarHBondContact N-O 3.3Å; D580-V694 VanDerWaalsContact N-O 3.07Å; D580-T695 WeakPolarHBondContact OD2-CB 3.42Å; D580-T695 PolarHBondContact OD2-OG1 3.24Å
581	S	97.9	Very high	95.5	Very high	58 Å²	58	32.1 Å²	32.1	41%	0.406	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-33.6	177.5	62.8	0	0	0	0	115.6
582	A	98	Very high	96.9	Very high	39 Å²	39	31 Å²	31	32%	0.322	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	20.9	179.3	0	0	0	0	0	113.4	D580 E696 D697	D580-A582 PolarHBondContact O-N 2.81Å; D580-A582 PolarHBondContact OD2-N 3.34Å; A582-E696 WeakPolarHBondContact O-CB 3.05Å; A582-E696 PolarHBondContact O-N 3.26Å; A582-D697 HydrophobicContact CB-CB 4.04Å
583	A	98.1	Very high	97.8	Very high	11 Å²	11	30 Å²	30	9%	0.091	16%	0.159	C	C	.	.			trans	-65.7	136.1	178.5	0	0	0	0	0	112.8	V579 D580 P585 V694	V579-A583 HydrophobicContact CG1-CB 3.57Å; D580-A583 WeakPolarHBondContact O-CB 3.39Å; D580-A583 PolarHBondContact O-N 3.46Å; A583-P585 WeakPolarHBondContact O-CD 3.2Å; A583-V694 HydrophobicContact CB-CB 4.48Å; A583-V694 HydrophobicContact CB-CG1 4.09Å; A583-V694 WeakPolarHBondContact CB-O 3.35Å
584	D	98.3	Very high	98.2	Very high	55 Å²	55	32.9 Å²	32.9	29%	0.294	18%	0.175	S	C	.	.			trans	-66.6	120.6	162.2	178.7	-67.5	0	0	0	109.3	E586 K587 A588 E696	D584-E586 VanDerWaalsContact C-N 3.3Å; D584-E586 PolarHBondContact O-N 3.37Å; D584-E586 WeakPolarHBondContact OD1-CA 3.31Å; D584-E586 WeakPolarHBondContact OD1-CB 3.09Å; D584-E586 PolarHBondContact OD1-N 2.81Å; D584-K587 HydrophobicContact CB-CB 4.06Å; D584-K587 HydrophobicContact CB-CD 3.93Å; D584-K587 HydrophobicContact CB-CG 3.94Å; D584-K587 PolarHBondContact O-N 2.9Å; D584-K587 PolarHBondContact OD1-N 2.82Å; D584-A588 WeakPolarHBondContact O-CB 3.47Å; D584-A588 PolarHBondContact O-N 2.62Å; D584-E696 HydrophobicContact CB-CG 4.1Å
585	P	97.6	Very high	98.4	Very high	55 Å²	55	32.8 Å²	32.8	36%	0.357	17%	0.174	S	C	.	.	H	α-helix	trans	-58.3	-36.3	-176.2	-29.9	37.9	0	0	0	114.7	A583 L589 L620	A583-P585 WeakPolarHBondContact O-CD 3.2Å; P585-L589 WeakPolarHBondContact O-CG 3.18Å; P585-L589 PolarHBondContact O-N 3.34Å; P585-L589 VanDerWaalsContact O-N 3.08Å; P585-L620 HydrophobicContact CB-CD1 3.9Å; P585-L620 HydrophobicContact CB-CD2 4.4Å; P585-L620 HydrophobicContact CG-CD2 4.45Å
586	E	97.9	Very high	98.4	Very high	111 Å²	111	32.8 Å²	32.8	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-77.2	-38.7	-176.8	-61.2	-57.6	132.6	0	0	110.9	D584 K590 R623	D584-E586 VanDerWaalsContact C-N 3.3Å; D584-E586 PolarHBondContact O-N 3.37Å; D584-E586 WeakPolarHBondContact OD1-CA 3.31Å; D584-E586 WeakPolarHBondContact OD1-CB 3.09Å; D584-E586 PolarHBondContact OD1-N 2.81Å; E586-K590 WeakPolarHBondContact O-CB 3.29Å; E586-K590 PolarHBondContact O-N 3.44Å; E586-K590 VanDerWaalsContact O-N 3.1Å; E586-R623 IonicContact OE1-CZ 3.27Å; E586-R623 VanDerWaalsContact OE1-CZ 3.23Å; E586-R623 IonicContact OE1-NH1 3.41Å; E586-R623 PolarHBondContact OE1-NH1 2.95Å; E586-R623 IonicContact OE1-NH2 2.78Å; E586-R623 PolarHBondContact OE1-NH2 2.87Å; E586-R623 IonicContact OE2-NH2 2.62Å
587	K	98.5	Very high	98.3	Very high	76 Å²	76	34.2 Å²	34.2	33%	0.33	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-45.3	170.7	-64.6	-176.5	-161.8	170.3	0	110.9	D584 L589 K590 I591 V694 E696	D584-K587 HydrophobicContact CB-CB 4.06Å; D584-K587 HydrophobicContact CB-CD 3.93Å; D584-K587 HydrophobicContact CB-CG 3.94Å; D584-K587 PolarHBondContact O-N 2.9Å; D584-K587 PolarHBondContact OD1-N 2.82Å; K587-L589 PolarHBondContact O-N 2.79Å; K587-K590 PolarHBondContact O-N 3.29Å; K587-I591 HydrophobicContact CB-CD1 4.26Å; K587-I591 WeakPolarHBondContact O-CB 3.02Å; K587-I591 WeakPolarHBondContact O-CD1 3.42Å; K587-I591 WeakPolarHBondContact O-CG1 2.95Å; K587-I591 PolarHBondContact O-N 3.17Å; K587-V694 HydrophobicContact CB-CG1 4.37Å; K587-E696 IonicContact NZ-OE1 2.83Å; K587-E696 PolarHBondContact NZ-OE1 2.9Å; K587-E696 IonicContact NZ-OE2 2.71Å; K587-E696 PolarHBondContact NZ-OE2 2.81Å
588	A	98.6	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-49.4	179.2	0	0	0	0	0	111.6	V579 D584 K590 I591 V592 L624 V694	V579-A588 HydrophobicContact CG1-CB 4.01Å; V579-A588 HydrophobicContact CG2-CB 4.34Å; D584-A588 WeakPolarHBondContact O-CB 3.47Å; D584-A588 PolarHBondContact O-N 2.62Å; A588-K590 PolarHBondContact O-N 3.31Å; A588-I591 PolarHBondContact O-N 3.02Å; A588-V592 VanDerWaalsContact O-CB 3.31Å; A588-V592 WeakPolarHBondContact O-CB 3.26Å; A588-V592 VanDerWaalsContact O-CG2 3.24Å; A588-V592 WeakPolarHBondContact O-CG2 3.34Å; A588-V592 PolarHBondContact O-N 3.14Å; A588-L624 HydrophobicContact CB-CD2 4.39Å; A588-V694 HydrophobicContact CB-CG1 4.05Å
589	L	98.1	Very high	97.5	Very high	10 Å²	10	43 Å²	43	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-50.3	176.7	-76.6	164.3	0	0	0	111.9	P585 K587 I591 I593 R623 L624 H627	P585-L589 WeakPolarHBondContact O-CG 3.18Å; P585-L589 PolarHBondContact O-N 3.34Å; P585-L589 VanDerWaalsContact O-N 3.08Å; K587-L589 PolarHBondContact O-N 2.79Å; L589-I591 PolarHBondContact O-N 3.13Å; L589-I593 WeakPolarHBondContact O-CB 3.14Å; L589-I593 VanDerWaalsContact O-CG1 3.22Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.21Å; L589-R623 HydrophobicContact CD1-CG 4.3Å; L589-R623 VanDerWaalsContact CD1-CZ 3.45Å; L589-R623 HydrophobicContact CD2-CG 4.39Å; L589-L624 HydrophobicContact CD2-CD2 3.89Å; L589-L624 HydrophobicContact CD2-CG 4.42Å; L589-L624 HydrophobicContact CG-CD2 4.21Å; L589-H627 HydrophobicContact CD2-CB 3.96Å
590	K	98.3	Very high	97.2	Very high	165 Å²	165	44.1 Å²	44.1	72%	0.717	23%	0.232	S	C	*	.	H	α-helix	trans	-61.6	-46.4	-178.8	-175.4	178.5	177.6	-178.2	0	112	E586 K587 A588 D594	E586-K590 WeakPolarHBondContact O-CB 3.29Å; E586-K590 PolarHBondContact O-N 3.44Å; E586-K590 VanDerWaalsContact O-N 3.1Å; K587-K590 PolarHBondContact O-N 3.29Å; A588-K590 PolarHBondContact O-N 3.31Å; K590-D594 VanDerWaalsContact O-CB 3.28Å; K590-D594 WeakPolarHBondContact O-CB 3.37Å; K590-D594 PolarHBondContact O-N 3.13Å
591	I	98.8	Very high	96.6	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.077	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-45.3	-177.1	-70	165.3	0	0	0	110.7	V577 K587 A588 L589 S595 V694 N716	V577-I591 HydrophobicContact CG1-CG2 4.19Å; K587-I591 HydrophobicContact CB-CD1 4.26Å; K587-I591 WeakPolarHBondContact O-CB 3.02Å; K587-I591 WeakPolarHBondContact O-CD1 3.42Å; K587-I591 WeakPolarHBondContact O-CG1 2.95Å; K587-I591 PolarHBondContact O-N 3.17Å; A588-I591 PolarHBondContact O-N 3.02Å; L589-I591 PolarHBondContact O-N 3.13Å; I591-S595 WeakPolarHBondContact O-CB 3.4Å; I591-S595 PolarHBondContact O-N 2.67Å; I591-S595 PolarHBondContact O-OG 2.89Å; I591-V694 HydrophobicContact CB-CG2 4.26Å; I591-V694 HydrophobicContact CD1-CG1 4.23Å; I591-V694 HydrophobicContact CD1-CG2 3.85Å; I591-V694 HydrophobicContact CG2-CG2 3.95Å; I591-N716 HydrophobicContact CD1-CB 4.4Å; I591-N716 WeakPolarHBondContact CD1-O 3.27Å
592	V	98.7	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-45.1	-179.5	167.7	0	0	0	0	111.2	V577 V579 A588 S595 K596 M606 L609 L624 L628	V577-V592 HydrophobicContact CB-CG2 4.47Å; V577-V592 HydrophobicContact CG1-CG2 3.87Å; V579-V592 HydrophobicContact CG2-CG2 4.18Å; A588-V592 VanDerWaalsContact O-CB 3.31Å; A588-V592 WeakPolarHBondContact O-CB 3.26Å; A588-V592 VanDerWaalsContact O-CG2 3.24Å; A588-V592 WeakPolarHBondContact O-CG2 3.34Å; A588-V592 PolarHBondContact O-N 3.14Å; V592-S595 PolarHBondContact O-N 2.89Å; V592-K596 PolarHBondContact O-N 2.79Å; V592-K596 VanDerWaalsContact O-N 3.15Å; V592-M606 HydrophobicContact CG1-CE 4.12Å; V592-M606 HydrophobicContact CG1-SD 4.24Å; V592-L609 HydrophobicContact CG1-CD1 4.3Å; V592-L609 HydrophobicContact CG1-CD2 4.09Å; V592-L609 HydrophobicContact CG2-CD1 3.61Å; V592-L624 HydrophobicContact CB-CD2 4.19Å; V592-L624 HydrophobicContact CG1-CD2 4.41Å; V592-L624 HydrophobicContact CG2-CD2 4.08Å; V592-L628 HydrophobicContact CG1-CD1 4.01Å; V592-L628 HydrophobicContact CG1-CD2 4.08Å; V592-L628 HydrophobicContact CG1-CG 4.2Å
593	I	98.4	Very high	95.7	Very high	26 Å²	26	42.6 Å²	42.6	13%	0.133	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-47	179.3	-64.9	-64.5	0	0	0	111.1	L589 S595 K596 C597 H627 L628	L589-I593 WeakPolarHBondContact O-CB 3.14Å; L589-I593 VanDerWaalsContact O-CG1 3.22Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.21Å; I593-S595 PolarHBondContact O-N 3.16Å; I593-K596 PolarHBondContact O-N 3.12Å; I593-C597 HydrophobicContact CG2-CB 4.3Å; I593-C597 WeakPolarHBondContact O-CA 3.47Å; I593-C597 WeakPolarHBondContact O-CB 3.49Å; I593-C597 PolarHBondContact O-N 2.93Å; I593-C597 PolarHBondContact O-SG 3.18Å; I593-H627 HydrophobicContact CD1-CB 3.91Å; I593-H627 HydrophobicContact CG1-CB 4.34Å; I593-L628 HydrophobicContact CD1-CD2 3.9Å; I593-L628 HydrophobicContact CD1-CG 4.12Å
594	D	98.5	Very high	95.5	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-45.4	177.1	-173	90.2	0	0	0	111.6	K590 K596 D598 S718	K590-D594 VanDerWaalsContact O-CB 3.28Å; K590-D594 WeakPolarHBondContact O-CB 3.37Å; K590-D594 PolarHBondContact O-N 3.13Å; D594-K596 PolarHBondContact O-N 3.19Å; D594-D598 VanDerWaalsContact O-CB 3.26Å; D594-D598 WeakPolarHBondContact O-CB 3.03Å; D594-D598 PolarHBondContact O-N 2.71Å; D594-S718 WeakPolarHBondContact OD2-CB 3.33Å; D594-S718 PolarHBondContact OD2-OG 3.37Å
595	S	98.6	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-31	-179.2	-59.4	0	0	0	0	112.8	I591 V592 I593 A605 M606 S718 T719	I591-S595 WeakPolarHBondContact O-CB 3.4Å; I591-S595 PolarHBondContact O-N 2.67Å; I591-S595 PolarHBondContact O-OG 2.89Å; V592-S595 PolarHBondContact O-N 2.89Å; I593-S595 PolarHBondContact O-N 3.16Å; S595-A605 CarbonylContact O-C 3.53Å; S595-A605 VanDerWaalsContact O-CA 3.29Å; S595-A605 WeakPolarHBondContact O-CA 3.48Å; S595-M606 PolarHBondContact O-N 3.32Å; S595-S718 WeakPolarHBondContact CA-OG 3.43Å; S595-S718 PolarHBondContact N-OG 3.12Å; S595-S718 WeakPolarHBondContact OG-CA 3.48Å; S595-S718 PolarHBondContact OG-OG 3.27Å; S595-T719 WeakPolarHBondContact CB-OG1 3.39Å; S595-T719 PolarHBondContact OG-N 2.94Å
596	K	98	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-97.5	-43.2	179.3	-173	65	-141.5	179.8	0	114.6	V592 I593 D594 P600 M606 E607 L628 V633 D664 E666 C667	V592-K596 PolarHBondContact O-N 2.79Å; V592-K596 VanDerWaalsContact O-N 3.15Å; I593-K596 PolarHBondContact O-N 3.12Å; D594-K596 PolarHBondContact O-N 3.19Å; K596-P600 WeakPolarHBondContact O-CA 3.17Å; K596-P600 WeakPolarHBondContact O-CG 3.28Å; K596-M606 HydrophobicContact CB-CE 4.07Å; K596-M606 HydrophobicContact CD-CE 4.49Å; K596-M606 WeakPolarHBondContact CD-O 3.49Å; K596-M606 HydrophobicContact CG-CE 4.5Å; K596-M606 PolarHBondContact NZ-O 2.65Å; K596-M606 VanDerWaalsContact NZ-O 3.16Å; K596-E607 IonicContact NZ-OE1 3.9Å; K596-E607 IonicContact NZ-OE2 3.72Å; K596-E607 PolarHBondContact NZ-OE2 3.01Å; K596-L628 HydrophobicContact CB-CD2 4.31Å; K596-L628 HydrophobicContact CG-CD2 4.44Å; K596-V633 HydrophobicContact CG-CG1 4.2Å; K596-V633 HydrophobicContact CG-CG2 4.1Å; K596-D664 WeakPolarHBondContact CE-O 3.33Å; K596-D664 PolarHBondContact NZ-O 3.27Å; K596-E666 WeakPolarHBondContact CE-O 3.37Å; K596-E666 PolarHBondContact NZ-O 3Å; K596-C667 HydrophobicContact CD-CB 4.16Å
597	C	96.8	Very high	95.4	Very high	31 Å²	31	31.8 Å²	31.8	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-99.4	-18.1	-161.5	-53.7	0	0	0	0	113.8	I593 L665	I593-C597 HydrophobicContact CG2-CB 4.3Å; I593-C597 WeakPolarHBondContact O-CA 3.47Å; I593-C597 WeakPolarHBondContact O-CB 3.49Å; I593-C597 PolarHBondContact O-N 2.93Å; I593-C597 PolarHBondContact O-SG 3.18Å; C597-L665 HydrophobicContact CB-CD2 4.5Å
598	D	94	Very high	95.4	Very high	83 Å²	83	28.1 Å²	28.1	44%	0.444	15%	0.145	S	C	.	.	S	Bend	trans	-59	-53.9	178.6	170.7	71.4	0	0	0	111.7	D594 R720	D594-D598 VanDerWaalsContact O-CB 3.26Å; D594-D598 WeakPolarHBondContact O-CB 3.03Å; D594-D598 PolarHBondContact O-N 2.71Å; D598-R720 HydrophobicContact CB-CG 4.29Å; D598-R720 IonicContact OD2-CZ 2.67Å; D598-R720 VanDerWaalsContact OD2-CZ 3.27Å; D598-R720 IonicContact OD2-NE 3.63Å; D598-R720 PolarHBondContact OD2-NE 2.81Å; D598-R720 IonicContact OD2-NH2 3.09Å; D598-R720 PolarHBondContact OD2-NH2 3.32Å
599	Y	88.2	Confident	95.4	Very high	101 Å²	101	28.1 Å²	28.1	40%	0.396	15%	0.145	S	C	.	.			trans	-148	84.4	175.9	-171.7	-157.9	0	0	0	110.7	S601 A602	Y599-S601 WeakPolarHBondContact CE2-OG 3.41Å; Y599-S601 PolarHBondContact O-N 3.44Å; Y599-A602 HydrophobicContact CD1-CB 3.71Å; Y599-A602 HydrophobicContact CE1-CB 4.31Å; Y599-A602 HydrophobicContact CG-CB 4.1Å; Y599-A602 VanDerWaalsContact O-CB 3.23Å; Y599-A602 WeakPolarHBondContact O-CB 3.22Å; Y599-A602 PolarHBondContact O-N 2.81Å
600	P	90.9	Very high	95.4	Very high	24 Å²	24	27.7 Å²	27.7	16%	0.156	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.6	-168.9	-24	31.6	0	0	0	115.3	K596 A602 G663 L665	K596-P600 WeakPolarHBondContact O-CA 3.17Å; K596-P600 WeakPolarHBondContact O-CG 3.28Å; P600-A602 VanDerWaalsContact C-N 3.34Å; P600-G663 CarbonylContact O-C 3.26Å; P600-G663 WeakPolarHBondContact O-CA 3.22Å; P600-L665 HydrophobicContact CB-CD2 4.26Å; P600-L665 HydrophobicContact CB-CG 4.43Å; P600-L665 HydrophobicContact CG-CD2 3.5Å; P600-L665 HydrophobicContact CG-CG 3.91Å
601	S	86.1	Confident	95.4	Very high	29 Å²	29	19.8 Å²	19.8	20%	0.203	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.2	178.8	74.3	0	0	0	0	114.5	R405 Y599 G663	R405-S601 PolarHBondContact NH2-O 3.48Å; Y599-S601 WeakPolarHBondContact CE2-OG 3.41Å; Y599-S601 PolarHBondContact O-N 3.44Å; S601-G663 WeakPolarHBondContact CA-O 3.19Å; S601-G663 WeakPolarHBondContact CB-O 3.48Å
602	A	87.1	Confident	95.4	Very high	11 Å²	11	20.4 Å²	20.4	9%	0.091	11%	0.11	C	C	.	.	S	Bend	trans	-78.6	144.3	175.1	0	0	0	0	0	111.1	Y599 P600 N604 A605	Y599-A602 HydrophobicContact CD1-CB 3.71Å; Y599-A602 HydrophobicContact CE1-CB 4.31Å; Y599-A602 HydrophobicContact CG-CB 4.1Å; Y599-A602 VanDerWaalsContact O-CB 3.23Å; Y599-A602 WeakPolarHBondContact O-CB 3.22Å; Y599-A602 PolarHBondContact O-N 2.81Å; P600-A602 VanDerWaalsContact C-N 3.34Å; A602-N604 WeakPolarHBondContact CB-OD1 3.49Å; A602-N604 PolarHBondContact O-N 3.49Å; A602-N604 VanDerWaalsContact O-N 3.13Å; A602-A605 VanDerWaalsContact O-CB 3.26Å; A602-A605 WeakPolarHBondContact O-CB 3.46Å; A602-A605 PolarHBondContact O-N 2.59Å
603	C	90.4	Very high	95.2	Very high	30 Å²	30	24.5 Å²	24.5	20%	0.203	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.3	179.1	56	0	0	0	0	115.3	H570 G573 C575	H570-C603 WeakPolarHBondContact CE1-CB 3.37Å; H570-C603 PolarHBondContact NE2-SG 3.46Å; G573-C603 CarbonylContact C-O 3.37Å; G573-C603 WeakPolarHBondContact CA-O 3.3Å; C575-C603 PolarHBondContact SG-O 3.19Å
604	N	94.1	Very high	95.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	12.3	175	64.6	4.9	0	0	0	111.9	A602 T719 R720 A722	A602-N604 WeakPolarHBondContact CB-OD1 3.49Å; A602-N604 PolarHBondContact O-N 3.49Å; A602-N604 VanDerWaalsContact O-N 3.13Å; N604-T719 CarbonylContact O-C 3.59Å; N604-T719 WeakPolarHBondContact O-CB 3.44Å; N604-T719 PolarHBondContact O-OG1 2.86Å; N604-R720 PolarHBondContact ND2-NH1 3.19Å; N604-R720 PolarHBondContact ND2-O 3.48Å; N604-R720 PolarHBondContact OD1-NH1 3.45Å; N604-A722 HydrophobicContact CB-CB 4.26Å; N604-A722 PolarHBondContact ND2-O 3.44Å
605	A	96	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-68.6	143.4	171.1	0	0	0	0	0	109.5	C575 S595 A602 E607	C575-A605 WeakPolarHBondContact CB-O 3.5Å; S595-A605 CarbonylContact O-C 3.53Å; S595-A605 VanDerWaalsContact O-CA 3.29Å; S595-A605 WeakPolarHBondContact O-CA 3.48Å; A602-A605 VanDerWaalsContact O-CB 3.26Å; A602-A605 WeakPolarHBondContact O-CB 3.46Å; A602-A605 PolarHBondContact O-N 2.59Å; A605-E607 PolarHBondContact O-N 3.33Å
606	M	98.2	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.7	174.7	-179.6	-165.4	81.5	0	0	109.8	V577 V592 S595 K596 T608 L609 C667	V577-M606 HydrophobicContact CB-CG 4.18Å; V577-M606 HydrophobicContact CB-SD 3.68Å; V577-M606 HydrophobicContact CG2-CB 4.08Å; V577-M606 HydrophobicContact CG2-CG 3.79Å; V577-M606 HydrophobicContact CG2-SD 3.65Å; V592-M606 HydrophobicContact CG1-CE 4.12Å; V592-M606 HydrophobicContact CG1-SD 4.24Å; S595-M606 PolarHBondContact O-N 3.32Å; K596-M606 HydrophobicContact CB-CE 4.07Å; K596-M606 HydrophobicContact CD-CE 4.49Å; K596-M606 WeakPolarHBondContact CD-O 3.49Å; K596-M606 HydrophobicContact CG-CE 4.5Å; K596-M606 PolarHBondContact NZ-O 2.65Å; K596-M606 VanDerWaalsContact NZ-O 3.16Å; M606-T608 WeakPolarHBondContact CG-O 3.21Å; M606-L609 HydrophobicContact CE-CB 3.91Å; M606-L609 HydrophobicContact SD-CB 3.93Å; M606-L609 HydrophobicContact SD-CD1 4.22Å; M606-C667 HydrophobicContact CE-CB 4.18Å
607	E	97.8	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-25.8	175.1	-61.9	-64.8	-166.2	0	0	112.2	V574 C575 K596 A605 E661 Y662 G663 C667 T668	V574-E607 HydrophobicContact CG1-CB 4.36Å; C575-E607 PolarHBondContact O-N 3.15Å; K596-E607 IonicContact NZ-OE1 3.9Å; K596-E607 IonicContact NZ-OE2 3.72Å; K596-E607 PolarHBondContact NZ-OE2 3.01Å; A605-E607 PolarHBondContact O-N 3.33Å; E607-E661 HydrophobicContact CG-CG 4.22Å; E607-E661 WeakPolarHBondContact OE1-CG 3.46Å; E607-Y662 VanDerWaalsContact CD-N 3.26Å; E607-Y662 PolarHBondContact OE1-N 3.45Å; E607-Y662 VanDerWaalsContact OE1-N 3.14Å; E607-Y662 WeakPolarHBondContact OE2-CB 3.27Å; E607-Y662 WeakPolarHBondContact OE2-CD2 3.41Å; E607-Y662 PolarHBondContact OE2-N 3.23Å; E607-G663 PolarHBondContact OE1-N 3.05Å; E607-C667 WeakPolarHBondContact O-CA 3.45Å; E607-C667 WeakPolarHBondContact O-CB 3.38Å; E607-T668 PolarHBondContact O-N 3Å
608	T	98.3	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.7	175.9	-60.7	0	0	0	0	111	C575 H576 V577 M606 L610 T668 Y681	C575-T608 PolarHBondContact O-N 3.25Å; H576-T608 VanDerWaalsContact CA-O 3.29Å; H576-T608 WeakPolarHBondContact CA-O 3.27Å; H576-T608 VanDerWaalsContact CD2-CB 3.41Å; H576-T608 WeakPolarHBondContact CD2-CB 3.44Å; V577-T608 PolarHBondContact N-O 3.06Å; M606-T608 WeakPolarHBondContact CG-O 3.21Å; T608-L610 HydrophobicContact CG2-CD2 3.74Å; T608-L610 HydrophobicContact CG2-CG 4.31Å; T608-T668 CarbonylContact C-O 2.84Å; T608-T668 WeakPolarHBondContact CA-O 3.46Å; T608-T668 HydrophobicContact CG2-CG2 4.3Å; T608-Y681 HydrophobicContact CG2-CE1 4Å
609	L	98.6	Very high	93.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.5	169.1	175.2	59.2	0	0	0	108.8	V577 V579 V592 M606 V611 L624 L628 T668 V669 E670	V577-L609 HydrophobicContact CB-CD1 4.4Å; V579-L609 HydrophobicContact CG2-CD1 3.83Å; V592-L609 HydrophobicContact CG1-CD1 4.3Å; V592-L609 HydrophobicContact CG1-CD2 4.09Å; V592-L609 HydrophobicContact CG2-CD1 3.61Å; M606-L609 HydrophobicContact CE-CB 3.91Å; M606-L609 HydrophobicContact SD-CB 3.93Å; M606-L609 HydrophobicContact SD-CD1 4.22Å; L609-V611 HydrophobicContact CD1-CG2 4.06Å; L609-V611 HydrophobicContact CD2-CG2 4.03Å; L609-V611 HydrophobicContact CG-CG2 3.65Å; L609-L624 HydrophobicContact CD2-CB 4.37Å; L609-L628 HydrophobicContact CD2-CD1 4.02Å; L609-T668 PolarHBondContact N-O 2.88Å; L609-V669 HydrophobicContact CB-CG2 4.47Å; L609-V669 HydrophobicContact CD2-CG1 4.37Å; L609-V669 WeakPolarHBondContact O-CA 3.35Å; L609-E670 PolarHBondContact O-N 3.43Å
610	L	98.5	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130	170.6	-58	-179.3	0	0	0	108.7	H576 V577 Y578 V579 T608 E670 V672 A678 Y681 I682	H576-L610 HydrophobicContact CB-CD1 4.36Å; V577-L610 PolarHBondContact O-N 3.48Å; Y578-L610 CarbonylContact C-O 3.52Å; Y578-L610 WeakPolarHBondContact CA-O 3.14Å; Y578-L610 HydrophobicContact CD2-CB 3.89Å; Y578-L610 HydrophobicContact CG-CB 4.49Å; V579-L610 PolarHBondContact N-O 3.04Å; T608-L610 HydrophobicContact CG2-CD2 3.74Å; T608-L610 HydrophobicContact CG2-CG 4.31Å; L610-E670 CarbonylContact C-O 3.6Å; L610-E670 WeakPolarHBondContact CA-O 3.37Å; L610-E670 HydrophobicContact CD2-CB 3.83Å; L610-E670 HydrophobicContact CD2-CG 4.11Å; L610-V672 HydrophobicContact CB-CG2 4.5Å; L610-V672 HydrophobicContact CD2-CG1 4.36Å; L610-A678 HydrophobicContact CD1-CB 4.23Å; L610-Y681 HydrophobicContact CD1-CD1 3.95Å; L610-Y681 HydrophobicContact CD1-CG 4.27Å; L610-Y681 HydrophobicContact CD2-CD1 3.71Å; L610-Y681 HydrophobicContact CD2-CD2 4.34Å; L610-Y681 HydrophobicContact CD2-CE1 3.78Å; L610-Y681 HydrophobicContact CD2-CE2 4.39Å; L610-Y681 HydrophobicContact CD2-CG 4Å; L610-Y681 HydrophobicContact CG-CD1 4.4Å; L610-I682 HydrophobicContact CD1-CD1 4.21Å; L610-I682 HydrophobicContact CD1-CG1 3.93Å
611	V	98.3	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.8	-179.2	-174.2	0	0	0	0	109.4	L609 K613 H615 L621 L624 V669 E670 L671 V672	L609-V611 HydrophobicContact CD1-CG2 4.06Å; L609-V611 HydrophobicContact CD2-CG2 4.03Å; L609-V611 HydrophobicContact CG-CG2 3.65Å; V611-K613 PolarHBondContact O-N 2.88Å; V611-H615 HydrophobicContact CG1-CB 3.62Å; V611-L621 HydrophobicContact CB-CD1 4.21Å; V611-L621 HydrophobicContact CG1-CD1 4.22Å; V611-L621 HydrophobicContact CG2-CD1 4.05Å; V611-L624 HydrophobicContact CG2-CD1 4.42Å; V611-V669 HydrophobicContact CG2-CG1 4.46Å; V611-E670 PolarHBondContact N-O 3.45Å; V611-L671 HydrophobicContact CB-CD2 3.94Å; V611-L671 HydrophobicContact CG1-CD2 4.24Å; V611-L671 WeakPolarHBondContact O-CA 3.36Å; V611-L671 WeakPolarHBondContact O-CD2 3.49Å; V611-V672 PolarHBondContact O-N 3.4Å
612	H	98.1	Very high	94.8	Very high	27 Å²	27	30.5 Å²	30.5	13%	0.125	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135	174	-172.3	-84.4	0	0	0	110.7	Y578 V579 S614 H615 V672 E673	Y578-H612 HydrophobicContact CE2-CB 4.27Å; V579-H612 WeakPolarHBondContact O-CB 3.35Å; V579-H612 PolarHBondContact O-N 3.1Å; H612-S614 WeakPolarHBondContact ND1-CB 3.42Å; H612-S614 PolarHBondContact ND1-N 3.02Å; H612-S614 PolarHBondContact ND1-OG 3.46Å; H612-S614 PolarHBondContact O-N 3.1Å; H612-H615 WeakPolarHBondContact O-CB 3.36Å; H612-H615 PolarHBondContact O-N 3.01Å; H612-V672 CarbonylContact C-O 3.52Å; H612-V672 WeakPolarHBondContact CA-O 3.48Å; H612-E673 PolarHBondContact NE2-O 3.29Å
613	K	95.4	Very high	95.2	Very high	86 Å²	86	34.6 Å²	34.6	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31	-173.3	67.4	177.1	172.6	-171	0	115	V611 H615 A616 V672 E673	V611-K613 PolarHBondContact O-N 2.88Å; K613-H615 PolarHBondContact O-N 3.3Å; K613-H615 VanDerWaalsContact O-N 3.12Å; K613-A616 WeakPolarHBondContact O-CB 3.45Å; K613-A616 PolarHBondContact O-N 2.87Å; K613-A616 VanDerWaalsContact O-N 3.09Å; K613-V672 PolarHBondContact N-O 3.17Å; K613-E673 HydrophobicContact CD-CB 4.12Å; K613-E673 HydrophobicContact CD-CG 3.92Å; K613-E673 VanDerWaalsContact NZ-CD 3.27Å; K613-E673 IonicContact NZ-OE1 3.41Å; K613-E673 IonicContact NZ-OE2 3.79Å; K613-E673 PolarHBondContact NZ-OE2 3.01Å
614	S	95.7	Very high	95.5	Very high	42 Å²	42	33.2 Å²	33.2	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-58	-24.8	176.6	60.1	0	0	0	0	113	H612 A616 E617 S618	H612-S614 WeakPolarHBondContact ND1-CB 3.42Å; H612-S614 PolarHBondContact ND1-N 3.02Å; H612-S614 PolarHBondContact ND1-OG 3.46Å; H612-S614 PolarHBondContact O-N 3.1Å; S614-A616 VanDerWaalsContact C-N 3.29Å; S614-A616 PolarHBondContact O-N 2.63Å; S614-E617 PolarHBondContact O-N 3.4Å; S614-S618 PolarHBondContact O-N 3.12Å; S614-S618 VanDerWaalsContact O-N 3.14Å
615	H	95.5	Very high	95.6	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-76.1	-15.2	179.8	-68.8	-50.2	0	0	0	114.6	D580 V611 H612 K613 E617 S618 G619 L620 L621	D580-H615 PolarHBondContact O-NE2 2.89Å; V611-H615 HydrophobicContact CG1-CB 3.62Å; H612-H615 WeakPolarHBondContact O-CB 3.36Å; H612-H615 PolarHBondContact O-N 3.01Å; K613-H615 PolarHBondContact O-N 3.3Å; K613-H615 VanDerWaalsContact O-N 3.12Å; H615-E617 VanDerWaalsContact C-N 3.34Å; H615-S618 VanDerWaalsContact CA-OG 3.28Å; H615-S618 WeakPolarHBondContact CA-OG 3.15Å; H615-S618 PolarHBondContact ND1-OG 3.42Å; H615-S618 PolarHBondContact O-OG 3.09Å; H615-G619 PolarHBondContact O-N 3.27Å; H615-L620 HydrophobicContact CB-CB 4.07Å; H615-L620 PolarHBondContact O-N 3.27Å; H615-L621 PolarHBondContact O-N 2.9Å; H615-L621 VanDerWaalsContact O-N 3.11Å
616	A	90.2	Very high	95.5	Very high	26 Å²	26	35.3 Å²	35.3	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-43.5	167.6	0	0	0	0	0	110.6	K613 S614 L621 Q646	K613-A616 WeakPolarHBondContact O-CB 3.45Å; K613-A616 PolarHBondContact O-N 2.87Å; K613-A616 VanDerWaalsContact O-N 3.09Å; S614-A616 VanDerWaalsContact C-N 3.29Å; S614-A616 PolarHBondContact O-N 2.63Å; A616-L621 HydrophobicContact CB-CD2 4.02Å; A616-Q646 HydrophobicContact CB-CG 4.35Å
617	E	88.2	Confident	95.4	Very high	182 Å²	182	38.3 Å²	38.3	85%	0.85	20%	0.201	S	C	*	.	H	α-helix	trans	-75.4	-37.3	178.7	-63.9	-179.7	178	0	0	112.4	S614 H615 G619	S614-E617 PolarHBondContact O-N 3.4Å; H615-E617 VanDerWaalsContact C-N 3.34Å; E617-G619 PolarHBondContact O-N 3.47Å
618	S	92.6	Very high	95.3	Very high	78 Å²	78	38.3 Å²	38.3	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-70.4	-12.4	179.5	76.4	0	0	0	0	114.5	S614 H615 L620	S614-S618 PolarHBondContact O-N 3.12Å; S614-S618 VanDerWaalsContact O-N 3.14Å; H615-S618 VanDerWaalsContact CA-OG 3.28Å; H615-S618 WeakPolarHBondContact CA-OG 3.15Å; H615-S618 PolarHBondContact ND1-OG 3.42Å; H615-S618 PolarHBondContact O-OG 3.09Å; S618-L620 VanDerWaalsContact C-N 3.25Å; S618-L620 PolarHBondContact O-N 3.34Å; S618-L620 WeakPolarHBondContact OG-CB 3.36Å; S618-L620 PolarHBondContact OG-N 3.2Å
619	G	92.5	Very high	95.1	Very high	30 Å²	30	42.6 Å²	42.6	31%	0.309	22%	0.217	S	C	.	.	S	Bend	trans	79.2	-4.6	-173.2	0	0	0	0	0	115.1	H615 E617 L621 E622 R623	H615-G619 PolarHBondContact O-N 3.27Å; E617-G619 PolarHBondContact O-N 3.47Å; G619-L621 VanDerWaalsContact C-N 3.33Å; G619-L621 PolarHBondContact O-N 3.34Å; G619-E622 PolarHBondContact O-N 2.89Å; G619-R623 PolarHBondContact O-N 3.18Å
620	L	95.6	Very high	95	Very high	9 Å²	9	48 Å²	48	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-36.7	177.5	-178.5	57.6	0	0	0	112.5	V579 P585 H615 S618 E622 R623 L624	V579-L620 HydrophobicContact CG1-CD2 4.2Å; P585-L620 HydrophobicContact CB-CD1 3.9Å; P585-L620 HydrophobicContact CB-CD2 4.4Å; P585-L620 HydrophobicContact CG-CD2 4.45Å; H615-L620 HydrophobicContact CB-CB 4.07Å; H615-L620 PolarHBondContact O-N 3.27Å; S618-L620 VanDerWaalsContact C-N 3.25Å; S618-L620 PolarHBondContact O-N 3.34Å; S618-L620 WeakPolarHBondContact OG-CB 3.36Å; S618-L620 PolarHBondContact OG-N 3.2Å; L620-E622 VanDerWaalsContact C-N 3.34Å; L620-E622 PolarHBondContact O-N 3.4Å; L620-R623 PolarHBondContact O-N 3.48Å; L620-L624 HydrophobicContact CD1-CD1 4.39Å; L620-L624 HydrophobicContact CD1-CG 4.17Å; L620-L624 HydrophobicContact CG-CD1 4.02Å; L620-L624 HydrophobicContact CG-CG 4.33Å; L620-L624 WeakPolarHBondContact O-CG 3.4Å; L620-L624 PolarHBondContact O-N 3.44Å
621	L	95.8	Very high	94.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-49.5	174.6	173.9	66.3	0	0	0	111.3	V611 H615 A616 G619 R623 L624 C625 M641 Q646 V669 L671	V611-L621 HydrophobicContact CB-CD1 4.21Å; V611-L621 HydrophobicContact CG1-CD1 4.22Å; V611-L621 HydrophobicContact CG2-CD1 4.05Å; H615-L621 PolarHBondContact O-N 2.9Å; H615-L621 VanDerWaalsContact O-N 3.11Å; A616-L621 HydrophobicContact CB-CD2 4.02Å; G619-L621 VanDerWaalsContact C-N 3.33Å; G619-L621 PolarHBondContact O-N 3.34Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.5Å; L621-L624 PolarHBondContact O-N 2.86Å; L621-C625 PolarHBondContact O-N 3.1Å; L621-C625 PolarHBondContact O-SG 3.29Å; L621-C625 VanDerWaalsContact O-SG 3.35Å; L621-M641 HydrophobicContact CD1-CE 4.34Å; L621-M641 HydrophobicContact CD1-SD 4.1Å; L621-M641 HydrophobicContact CD2-CE 4.28Å; L621-M641 HydrophobicContact CD2-SD 3.92Å; L621-Q646 HydrophobicContact CD2-CB 4.2Å; L621-Q646 HydrophobicContact CD2-CG 4.32Å; L621-V669 HydrophobicContact CD1-CG1 4.01Å; L621-L671 HydrophobicContact CD1-CD2 4.2Å; L621-L671 HydrophobicContact CD2-CD1 4.13Å; L621-L671 HydrophobicContact CD2-CD2 3.99Å; L621-L671 HydrophobicContact CD2-CG 4.48Å
622	E	94.2	Very high	94.7	Very high	103 Å²	103	60 Å²	60	48%	0.481	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-42.9	178.7	-171.8	-178	171.3	0	0	110.8	G619 L620 L624 C625 N626 L648	G619-E622 PolarHBondContact O-N 2.89Å; L620-E622 VanDerWaalsContact C-N 3.34Å; L620-E622 PolarHBondContact O-N 3.4Å; E622-L624 PolarHBondContact O-N 2.78Å; E622-C625 PolarHBondContact O-N 3.25Å; E622-N626 WeakPolarHBondContact O-CB 3.3Å; E622-N626 PolarHBondContact O-N 2.95Å; E622-N626 PolarHBondContact O-ND2 2.94Å; E622-N626 PolarHBondContact O-OD1 2.97Å; E622-L648 HydrophobicContact CB-CD1 4.49Å; E622-L648 HydrophobicContact CB-CD2 4.33Å; E622-L648 HydrophobicContact CG-CD2 4.25Å
623	R	95.6	Very high	94.6	Very high	98 Å²	98	58.9 Å²	58.9	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-42.6	178.8	-162.2	175.5	174	-148.2	-8.8	112.5	E586 L589 G619 L620 L621 H627	E586-R623 IonicContact OE1-CZ 3.27Å; E586-R623 VanDerWaalsContact OE1-CZ 3.23Å; E586-R623 IonicContact OE1-NH1 3.41Å; E586-R623 PolarHBondContact OE1-NH1 2.95Å; E586-R623 IonicContact OE1-NH2 2.78Å; E586-R623 PolarHBondContact OE1-NH2 2.87Å; E586-R623 IonicContact OE2-NH2 2.62Å; L589-R623 HydrophobicContact CD1-CG 4.3Å; L589-R623 VanDerWaalsContact CD1-CZ 3.45Å; L589-R623 HydrophobicContact CD2-CG 4.39Å; G619-R623 PolarHBondContact O-N 3.18Å; L620-R623 PolarHBondContact O-N 3.48Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.5Å; R623-H627 PolarHBondContact O-N 2.89Å; R623-H627 VanDerWaalsContact O-N 3.09Å; R623-H627 PolarHBondContact O-ND1 3.28Å
624	L	96.8	Very high	94.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-49.7	175.6	-73.6	164.2	0	0	0	111.3	V579 A588 L589 V592 L609 V611 L620 L621 E622 N626 H627 L628	V579-L624 HydrophobicContact CG1-CD1 4.42Å; V579-L624 HydrophobicContact CG2-CD1 4.21Å; A588-L624 HydrophobicContact CB-CD2 4.39Å; L589-L624 HydrophobicContact CD2-CD2 3.89Å; L589-L624 HydrophobicContact CD2-CG 4.42Å; L589-L624 HydrophobicContact CG-CD2 4.21Å; V592-L624 HydrophobicContact CB-CD2 4.19Å; V592-L624 HydrophobicContact CG1-CD2 4.41Å; V592-L624 HydrophobicContact CG2-CD2 4.08Å; L609-L624 HydrophobicContact CD2-CB 4.37Å; V611-L624 HydrophobicContact CG2-CD1 4.42Å; L620-L624 HydrophobicContact CD1-CD1 4.39Å; L620-L624 HydrophobicContact CD1-CG 4.17Å; L620-L624 HydrophobicContact CG-CD1 4.02Å; L620-L624 HydrophobicContact CG-CG 4.33Å; L620-L624 WeakPolarHBondContact O-CG 3.4Å; L620-L624 PolarHBondContact O-N 3.44Å; L621-L624 PolarHBondContact O-N 2.86Å; E622-L624 PolarHBondContact O-N 2.78Å; L624-N626 VanDerWaalsContact C-N 3.33Å; L624-N626 PolarHBondContact O-N 2.88Å; L624-H627 PolarHBondContact O-N 2.76Å; L624-L628 WeakPolarHBondContact O-CG 3.49Å; L624-L628 PolarHBondContact O-N 2.9Å
625	C	95.3	Very high	94.6	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-38.6	178.7	-70.8	0	0	0	0	112.4	L621 E622 L628 R629 L635 L648	L621-C625 PolarHBondContact O-N 3.1Å; L621-C625 PolarHBondContact O-SG 3.29Å; L621-C625 VanDerWaalsContact O-SG 3.35Å; E622-C625 PolarHBondContact O-N 3.25Å; C625-L628 PolarHBondContact O-N 2.7Å; C625-R629 WeakPolarHBondContact O-CG 3.46Å; C625-R629 PolarHBondContact O-N 2.96Å; C625-L635 HydrophobicContact CB-CD1 3.68Å; C625-L648 HydrophobicContact CB-CD1 3.46Å; C625-L648 VanDerWaalsContact CB-CD1 3.46Å
626	N	94.5	Very high	94.6	Very high	46 Å²	46	58.5 Å²	58.5	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-46.3	176.3	-68.2	-7.4	0	0	0	111.2	E622 L624 L628 R629 D630	E622-N626 WeakPolarHBondContact O-CB 3.3Å; E622-N626 PolarHBondContact O-N 2.95Å; E622-N626 PolarHBondContact O-ND2 2.94Å; E622-N626 PolarHBondContact O-OD1 2.97Å; L624-N626 VanDerWaalsContact C-N 3.33Å; L624-N626 PolarHBondContact O-N 2.88Å; N626-L628 VanDerWaalsContact C-N 3.33Å; N626-L628 PolarHBondContact O-N 3.19Å; N626-R629 PolarHBondContact O-N 2.94Å; N626-R629 VanDerWaalsContact O-N 3.17Å; N626-R629 PolarHBondContact OD1-NH2 3.45Å; N626-D630 VanDerWaalsContact O-CG 3.26Å; N626-D630 PolarHBondContact O-N 3.03Å
627	H	95.4	Very high	94.8	Very high	63 Å²	63	57.3 Å²	57.3	29%	0.292	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-39.9	177.7	-79.6	67.1	0	0	0	112.2	L589 I593 R623 L624 D630 H631	L589-H627 HydrophobicContact CD2-CB 3.96Å; I593-H627 HydrophobicContact CD1-CB 3.91Å; I593-H627 HydrophobicContact CG1-CB 4.34Å; R623-H627 PolarHBondContact O-N 2.89Å; R623-H627 VanDerWaalsContact O-N 3.09Å; R623-H627 PolarHBondContact O-ND1 3.28Å; L624-H627 PolarHBondContact O-N 2.76Å; H627-D630 PolarHBondContact O-N 3.44Å; H627-H631 PolarHBondContact O-N 3.18Å; H627-H631 PolarHBondContact O-ND1 2.96Å
628	L	96.8	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-44.2	174.6	-77.1	167.7	0	0	0	111.3	V592 I593 K596 L609 L624 C625 N626 D630 H631 K632 V633 L635	V592-L628 HydrophobicContact CG1-CD1 4.01Å; V592-L628 HydrophobicContact CG1-CD2 4.08Å; V592-L628 HydrophobicContact CG1-CG 4.2Å; I593-L628 HydrophobicContact CD1-CD2 3.9Å; I593-L628 HydrophobicContact CD1-CG 4.12Å; K596-L628 HydrophobicContact CB-CD2 4.31Å; K596-L628 HydrophobicContact CG-CD2 4.44Å; L609-L628 HydrophobicContact CD2-CD1 4.02Å; L624-L628 WeakPolarHBondContact O-CG 3.49Å; L624-L628 PolarHBondContact O-N 2.9Å; C625-L628 PolarHBondContact O-N 2.7Å; N626-L628 VanDerWaalsContact C-N 3.33Å; N626-L628 PolarHBondContact O-N 3.19Å; L628-D630 PolarHBondContact O-N 3.24Å; L628-H631 CarbonylContact O-C 3.47Å; L628-H631 WeakPolarHBondContact O-CA 3.11Å; L628-H631 PolarHBondContact O-N 2.87Å; L628-H631 VanDerWaalsContact O-N 3.15Å; L628-K632 PolarHBondContact O-N 3.19Å; L628-V633 HydrophobicContact CB-CB 4.06Å; L628-V633 HydrophobicContact CB-CG2 4.48Å; L628-V633 HydrophobicContact CD2-CB 4.22Å; L628-V633 HydrophobicContact CD2-CG1 4.29Å; L628-V633 HydrophobicContact CD2-CG2 3.99Å; L628-V633 VanDerWaalsContact O-CB 3.26Å; L628-V633 WeakPolarHBondContact O-CB 3.26Å; L628-V633 WeakPolarHBondContact O-CG2 3.33Å; L628-V633 PolarHBondContact O-N 3.25Å; L628-L635 HydrophobicContact CB-CD2 3.94Å; L628-L635 HydrophobicContact CD1-CD2 3.9Å
629	R	94.4	Very high	95.1	Very high	90 Å²	90	47.9 Å²	47.9	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-36.3	176.3	-73.5	-171.2	-65.8	150.7	-13.8	113.3	C625 N626 H631 K632 L635 T649	C625-R629 WeakPolarHBondContact O-CG 3.46Å; C625-R629 PolarHBondContact O-N 2.96Å; N626-R629 PolarHBondContact O-N 2.94Å; N626-R629 VanDerWaalsContact O-N 3.17Å; N626-R629 PolarHBondContact OD1-NH2 3.45Å; R629-H631 PolarHBondContact O-N 3.36Å; R629-K632 WeakPolarHBondContact O-CA 3.08Å; R629-K632 PolarHBondContact O-N 3.2Å; R629-L635 HydrophobicContact CG-CD1 4.01Å; R629-L635 HydrophobicContact CG-CG 4.35Å; R629-T649 VanDerWaalsContact CZ-CG2 3.43Å
630	D	95.2	Very high	95	Very high	113 Å²	113	46.5 Å²	46.5	60%	0.604	22%	0.216	S	C	*	.	H	α-helix	trans	-60.6	-34.5	174.4	-69.6	-23.3	0	0	0	111	N626 H627 L628 K632	N626-D630 VanDerWaalsContact O-CG 3.26Å; N626-D630 PolarHBondContact O-N 3.03Å; H627-D630 PolarHBondContact O-N 3.44Å; L628-D630 PolarHBondContact O-N 3.24Å; D630-K632 PolarHBondContact O-N 2.85Å
631	H	95.8	Very high	94.9	Very high	87 Å²	87	46 Å²	46	40%	0.403	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	13.9	171.7	-66.7	75.7	0	0	0	113.9	H627 L628 R629 V633	H627-H631 PolarHBondContact O-N 3.18Å; H627-H631 PolarHBondContact O-ND1 2.96Å; L628-H631 CarbonylContact O-C 3.47Å; L628-H631 WeakPolarHBondContact O-CA 3.11Å; L628-H631 PolarHBondContact O-N 2.87Å; L628-H631 VanDerWaalsContact O-N 3.15Å; R629-H631 PolarHBondContact O-N 3.36Å; H631-V633 HydrophobicContact CB-CG2 4.37Å; H631-V633 PolarHBondContact O-N 2.9Å
632	K	95.3	Very high	94.5	Very high	167 Å²	167	49.6 Å²	49.6	73%	0.726	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	21.7	179.1	-48.3	-55.7	176.9	-165.4	0	114.5	L628 R629 D630 K634	L628-K632 PolarHBondContact O-N 3.19Å; R629-K632 WeakPolarHBondContact O-CA 3.08Å; R629-K632 PolarHBondContact O-N 3.2Å; D630-K632 PolarHBondContact O-N 2.85Å; K632-K634 PolarHBondContact O-N 2.83Å
633	V	96.2	Very high	94.1	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-76	124.8	174.1	-175	0	0	0	0	109.8	K596 L628 H631 L635 L665	K596-V633 HydrophobicContact CG-CG1 4.2Å; K596-V633 HydrophobicContact CG-CG2 4.1Å; L628-V633 HydrophobicContact CB-CB 4.06Å; L628-V633 HydrophobicContact CB-CG2 4.48Å; L628-V633 HydrophobicContact CD2-CB 4.22Å; L628-V633 HydrophobicContact CD2-CG1 4.29Å; L628-V633 HydrophobicContact CD2-CG2 3.99Å; L628-V633 VanDerWaalsContact O-CB 3.26Å; L628-V633 WeakPolarHBondContact O-CB 3.26Å; L628-V633 WeakPolarHBondContact O-CG2 3.33Å; L628-V633 PolarHBondContact O-N 3.25Å; H631-V633 HydrophobicContact CB-CG2 4.37Å; H631-V633 PolarHBondContact O-N 2.9Å; V633-L635 HydrophobicContact CG1-CD2 4.05Å; V633-L665 CarbonylContact C-O 3.54Å; V633-L665 VanDerWaalsContact CA-O 3.25Å; V633-L665 WeakPolarHBondContact CA-O 3.24Å; V633-L665 HydrophobicContact CG2-CB 4.35Å; V633-L665 HydrophobicContact CG2-CD2 3.93Å
634	K	95.4	Very high	93.5	Very high	100 Å²	100	50.7 Å²	50.7	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.8	174.1	-178.6	170.2	150.4	-130	0	110.3	K632 L665 E666 C667	K632-K634 PolarHBondContact O-N 2.83Å; K634-L665 PolarHBondContact N-O 3.46Å; K634-E666 HydrophobicContact CB-CB 4.33Å; K634-E666 HydrophobicContact CB-CG 3.97Å; K634-E666 IonicContact NZ-OE1 2.69Å; K634-E666 PolarHBondContact NZ-OE1 2.86Å; K634-E666 IonicContact NZ-OE2 3.18Å; K634-E666 PolarHBondContact NZ-OE2 2.76Å; K634-E666 CarbonylContact O-C 3.56Å; K634-E666 WeakPolarHBondContact O-CA 3.31Å; K634-C667 PolarHBondContact O-N 2.82Å
635	L	95.4	Very high	92.6	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.9	-173.8	-53	-179.7	0	0	0	111	C625 L628 R629 V633 M652 C667 V669	C625-L635 HydrophobicContact CB-CD1 3.68Å; L628-L635 HydrophobicContact CB-CD2 3.94Å; L628-L635 HydrophobicContact CD1-CD2 3.9Å; R629-L635 HydrophobicContact CG-CD1 4.01Å; R629-L635 HydrophobicContact CG-CG 4.35Å; V633-L635 HydrophobicContact CG1-CD2 4.05Å; L635-M652 HydrophobicContact CB-CE 3.69Å; L635-M652 HydrophobicContact CB-CG 4.18Å; L635-M652 HydrophobicContact CB-SD 4.23Å; L635-M652 WeakPolarHBondContact O-CG 3.32Å; L635-C667 VanDerWaalsContact CD2-SG 3.55Å; L635-V669 HydrophobicContact CB-CG2 4.45Å; L635-V669 HydrophobicContact CD2-CG2 4.12Å
636	H	95.5	Very high	91.6	Very high	20 Å²	20	56.1 Å²	56.1	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	171.2	-59.3	-91.1	0	0	0	109.9	K653 A655 Y662 E666 C667 T668 V669	H636-K653 CarbonylContact C-O 3.53Å; H636-K653 VanDerWaalsContact CA-O 3.24Å; H636-K653 WeakPolarHBondContact CA-O 3.35Å; H636-A655 HydrophobicContact CB-CB 4.04Å; H636-Y662 AromaticContact CD2-CE1 3.47Å; H636-Y662 VanDerWaalsContact CD2-CE1 3.47Å; H636-Y662 WeakPolarHBondContact CD2-CE1 3.4Å; H636-Y662 AromaticContact CD2-CZ 3.55Å; H636-Y662 PolarHBondContact CD2-OH 3.36Å; H636-Y662 AromaticContact NE2-CE1 3.48Å; H636-Y662 WeakPolarHBondContact NE2-CE1 3.44Å; H636-E666 IonicContact CD2-OE2 3.24Å; H636-E666 IonicContact CE1-OE2 2.81Å; H636-E666 PolarHBondContact CE1-OE2 2.79Å; H636-E666 IonicContact NE2-OE2 2.75Å; H636-E666 PolarHBondContact NE2-OE2 3.05Å; H636-C667 PolarHBondContact N-O 2.88Å; H636-T668 CarbonylContact O-C 3.51Å; H636-T668 WeakPolarHBondContact O-CA 3.45Å; H636-V669 PolarHBondContact O-N 3.33Å
637	A	94.5	Very high	90.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.5	179.9	0	0	0	0	0	110.6	M641 I642 N647 M652 K653 P654 A655	A637-M641 HydrophobicContact CB-CB 3.95Å; A637-I642 HydrophobicContact CB-CD1 4.47Å; A637-I642 HydrophobicContact CB-CG1 3.95Å; A637-N647 WeakPolarHBondContact CB-OD1 3.49Å; A637-M652 HydrophobicContact CB-CE 4.19Å; A637-M652 HydrophobicContact CB-CG 3.97Å; A637-M652 HydrophobicContact CB-SD 4.29Å; A637-K653 PolarHBondContact N-O 3.27Å; A637-P654 CarbonylContact O-C 3.54Å; A637-P654 WeakPolarHBondContact O-CA 3.4Å; A637-A655 PolarHBondContact O-N 3.08Å
638	G	94.4	Very high	89.4	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.01	29%	0.285	C	S	.	.			trans	-74.5	173.9	166	0	0	0	0	0	112.6	G640 M641 I642 V669 E670	G638-G640 VanDerWaalsContact C-N 3.34Å; G638-G640 PolarHBondContact O-N 3.36Å; G638-M641 WeakPolarHBondContact O-CB 3.4Å; G638-M641 PolarHBondContact O-N 3.38Å; G638-I642 WeakPolarHBondContact O-CG1 3.34Å; G638-I642 PolarHBondContact O-N 2.82Å; G638-V669 PolarHBondContact N-O 2.94Å; G638-E670 WeakPolarHBondContact CA-OE2 3.48Å
639	P	92.2	Very high	88.2	Confident	62 Å²	62	58.1 Å²	58.1	40%	0.403	29%	0.292	S	S	.	.	H	α-helix	trans	-56.6	-39.6	-177	-25.8	35.3	0	0	0	114.9	I642 R643 L658 E670	P639-I642 PolarHBondContact O-N 3.28Å; P639-R643 VanDerWaalsContact O-CB 3.26Å; P639-R643 WeakPolarHBondContact O-CB 3.39Å; P639-R643 PolarHBondContact O-N 3.19Å; P639-L658 HydrophobicContact CG-CD1 4.1Å; P639-E670 WeakPolarHBondContact CD-OE2 3.39Å
640	G	91.5	Very high	87.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-39.9	178	0	0	0	0	0	112.7	G638 R643 L644 E670	G638-G640 VanDerWaalsContact C-N 3.34Å; G638-G640 PolarHBondContact O-N 3.36Å; G640-R643 PolarHBondContact O-N 2.81Å; G640-L644 PolarHBondContact O-N 2.82Å; G640-L644 VanDerWaalsContact O-N 3.1Å; G640-E670 WeakPolarHBondContact CA-OE1 3.37Å; G640-E670 PolarHBondContact N-OE1 2.74Å; G640-E670 PolarHBondContact N-OE2 2.84Å
641	M	92.2	Very high	86.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-46.8	173.5	-72.5	-69.7	-79.5	0	0	111.4	L621 A637 G638 G645 Q646 M652 V669 L671	L621-M641 HydrophobicContact CD1-CE 4.34Å; L621-M641 HydrophobicContact CD1-SD 4.1Å; L621-M641 HydrophobicContact CD2-CE 4.28Å; L621-M641 HydrophobicContact CD2-SD 3.92Å; A637-M641 HydrophobicContact CB-CB 3.95Å; G638-M641 WeakPolarHBondContact O-CB 3.4Å; G638-M641 PolarHBondContact O-N 3.38Å; M641-G645 PolarHBondContact O-N 2.87Å; M641-Q646 HydrophobicContact CE-CB 4.15Å; M641-Q646 WeakPolarHBondContact CE-O 3.37Å; M641-Q646 PolarHBondContact O-N 3.44Å; M641-Q646 HydrophobicContact SD-CB 4Å; M641-M652 HydrophobicContact CE-CE 3.81Å; M641-M652 HydrophobicContact CE-SD 4.05Å; M641-V669 HydrophobicContact CE-CB 4.49Å; M641-V669 HydrophobicContact CE-CG1 4.16Å; M641-V669 HydrophobicContact CG-CB 4.49Å; M641-V669 HydrophobicContact CG-CG1 4.36Å; M641-V669 WeakPolarHBondContact CG-O 3.35Å; M641-V669 HydrophobicContact SD-CG1 4.14Å; M641-L671 HydrophobicContact CG-CG 4.29Å; M641-L671 HydrophobicContact SD-CD1 3.68Å; M641-L671 HydrophobicContact SD-CD2 4.36Å; M641-L671 HydrophobicContact SD-CG 3.64Å
642	I	88.7	Confident	85.9	Confident	76 Å²	76	60.7 Å²	60.7	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-45.6	179.6	-62.7	167.8	0	0	0	110.6	A637 G638 P639 L644 G645 P654	A637-I642 HydrophobicContact CB-CD1 4.47Å; A637-I642 HydrophobicContact CB-CG1 3.95Å; G638-I642 WeakPolarHBondContact O-CG1 3.34Å; G638-I642 PolarHBondContact O-N 2.82Å; P639-I642 PolarHBondContact O-N 3.28Å; I642-L644 VanDerWaalsContact C-N 3.31Å; I642-L644 PolarHBondContact O-N 2.81Å; I642-G645 PolarHBondContact O-N 2.85Å; I642-G645 VanDerWaalsContact O-N 3.12Å; I642-P654 HydrophobicContact CD1-CB 3.79Å; I642-P654 HydrophobicContact CD1-CG 3.93Å
643	R	85.7	Confident	85.6	Confident	142 Å²	142	59.1 Å²	59.1	54%	0.536	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-39.6	-178.8	-178.2	175	68.4	-112.2	7.8	112.5	P639 G640 G645	P639-R643 VanDerWaalsContact O-CB 3.26Å; P639-R643 WeakPolarHBondContact O-CB 3.39Å; P639-R643 PolarHBondContact O-N 3.19Å; G640-R643 PolarHBondContact O-N 2.81Å; R643-G645 VanDerWaalsContact C-N 3.3Å
644	L	82.2	Confident	85.3	Confident	81 Å²	81	62.9 Å²	62.9	42%	0.424	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.2	-179.6	-67.6	173.1	0	0	0	113.4	G640 I642 Q646 L671	G640-L644 PolarHBondContact O-N 2.82Å; G640-L644 VanDerWaalsContact O-N 3.1Å; I642-L644 VanDerWaalsContact C-N 3.31Å; I642-L644 PolarHBondContact O-N 2.81Å; L644-Q646 HydrophobicContact CB-CG 3.95Å; L644-Q646 PolarHBondContact O-N 3.3Å; L644-Q646 PolarHBondContact O-NE2 3.47Å; L644-L671 HydrophobicContact CB-CD1 4.31Å; L644-L671 HydrophobicContact CD1-CB 4.26Å; L644-L671 HydrophobicContact CD1-CD1 3.59Å
645	G	77.2	Confident	85.1	Confident	58 Å²	58	59 Å²	59	60%	0.598	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	23.3	-179.6	0	0	0	0	0	113.5	M641 I642 R643 N647	M641-G645 PolarHBondContact O-N 2.87Å; I642-G645 PolarHBondContact O-N 2.85Å; I642-G645 VanDerWaalsContact O-N 3.12Å; R643-G645 VanDerWaalsContact C-N 3.3Å; G645-N647 PolarHBondContact O-N 2.88Å
646	Q	75.6	Confident	84.8	Confident	59 Å²	59	68.7 Å²	68.7	28%	0.276	36%	0.357	S	S	.	.			trans	-88.9	32.5	-176.7	-64.4	-61.2	-48.2	0	0	112	A616 L621 M641 L644 L648 L671	A616-Q646 HydrophobicContact CB-CG 4.35Å; L621-Q646 HydrophobicContact CD2-CB 4.2Å; L621-Q646 HydrophobicContact CD2-CG 4.32Å; M641-Q646 HydrophobicContact CE-CB 4.15Å; M641-Q646 WeakPolarHBondContact CE-O 3.37Å; M641-Q646 PolarHBondContact O-N 3.44Å; M641-Q646 HydrophobicContact SD-CB 4Å; L644-Q646 HydrophobicContact CB-CG 3.95Å; L644-Q646 PolarHBondContact O-N 3.3Å; L644-Q646 PolarHBondContact O-NE2 3.47Å; Q646-L648 PolarHBondContact O-N 2.94Å; Q646-L671 HydrophobicContact CB-CD1 4.25Å; Q646-L671 HydrophobicContact CG-CD1 4.02Å
647	N	69.4	Low	84.6	Confident	72 Å²	72	71.6 Å²	71.6	39%	0.385	37%	0.373	S	S	.	.			trans	-73.4	86.1	169.8	-67.8	-15.4	0	0	0	107.9	A637 G645 T649	A637-N647 WeakPolarHBondContact CB-OD1 3.49Å; G645-N647 PolarHBondContact O-N 2.88Å; N647-T649 PolarHBondContact O-N 3.42Å
648	L	73.1	Confident	84.7	Confident	53 Å²	53	72.7 Å²	72.7	28%	0.277	38%	0.378	S	S	.	.			trans	-59	-18.8	-173.6	-63.2	171	0	0	0	113.2	E622 C625 Q646	E622-L648 HydrophobicContact CB-CD1 4.49Å; E622-L648 HydrophobicContact CB-CD2 4.33Å; E622-L648 HydrophobicContact CG-CD2 4.25Å; C625-L648 HydrophobicContact CB-CD1 3.46Å; C625-L648 VanDerWaalsContact CB-CD1 3.46Å; Q646-L648 PolarHBondContact O-N 2.94Å
649	T	72.2	Confident	84.6	Confident	26 Å²	26	75 Å²	75	16%	0.16	39%	0.394	C	S	.	.	S	Bend	trans	-147.4	149.1	177.7	62	0	0	0	0	111.4	R629 N647 E651 M652	R629-T649 VanDerWaalsContact CZ-CG2 3.43Å; N647-T649 PolarHBondContact O-N 3.42Å; T649-E651 PolarHBondContact O-N 3.47Å; T649-E651 VanDerWaalsContact O-N 3.12Å; T649-M652 WeakPolarHBondContact O-CB 3.47Å; T649-M652 PolarHBondContact O-N 3.32Å; T649-M652 PolarHBondContact OG1-N 2.88Å
650	D	73.1	Confident	84.6	Confident	177 Å²	177	78.1 Å²	78.1	95%	0.947	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	172.2	-65.7	-29.5	0	0	0	113.5	M652	D650-M652 VanDerWaalsContact C-N 3.3Å
651	E	77.7	Confident	84.6	Confident	157 Å²	157	80.5 Å²	80.5	73%	0.734	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.1	177.6	-63.2	-175.5	172.7	0	0	113.2	T649 K653	T649-E651 PolarHBondContact O-N 3.47Å; T649-E651 VanDerWaalsContact O-N 3.12Å; E651-K653 PolarHBondContact O-N 2.89Å; E651-K653 VanDerWaalsContact O-N 3.1Å
652	M	86.8	Confident	84.6	Confident	9 Å²	9	82.1 Å²	82.1	4%	0.044	42%	0.416	C	S	.	.			trans	-78.7	98	-175.1	-163.2	170.7	-169.5	0	0	109.9	L635 A637 M641 T649 D650 V669	L635-M652 HydrophobicContact CB-CE 3.69Å; L635-M652 HydrophobicContact CB-CG 4.18Å; L635-M652 HydrophobicContact CB-SD 4.23Å; L635-M652 WeakPolarHBondContact O-CG 3.32Å; A637-M652 HydrophobicContact CB-CE 4.19Å; A637-M652 HydrophobicContact CB-CG 3.97Å; A637-M652 HydrophobicContact CB-SD 4.29Å; M641-M652 HydrophobicContact CE-CE 3.81Å; M641-M652 HydrophobicContact CE-SD 4.05Å; T649-M652 WeakPolarHBondContact O-CB 3.47Å; T649-M652 PolarHBondContact O-N 3.32Å; T649-M652 PolarHBondContact OG1-N 2.88Å; D650-M652 VanDerWaalsContact C-N 3.3Å; M652-V669 HydrophobicContact CE-CB 3.69Å; M652-V669 HydrophobicContact CE-CG2 3.81Å
653	K	88	Confident	84.6	Confident	135 Å²	135	79.6 Å²	79.6	59%	0.587	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	153.5	-178.9	-63.8	-176.3	-175.6	179.3	0	110.9	H636 A637 E651 A655	H636-K653 CarbonylContact C-O 3.53Å; H636-K653 VanDerWaalsContact CA-O 3.24Å; H636-K653 WeakPolarHBondContact CA-O 3.35Å; A637-K653 PolarHBondContact N-O 3.27Å; E651-K653 PolarHBondContact O-N 2.89Å; E651-K653 VanDerWaalsContact O-N 3.1Å; K653-A655 PolarHBondContact O-N 2.93Å
654	P	91	Very high	84.8	Confident	81 Å²	81	77.4 Å²	77.4	53%	0.526	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	135.8	170.1	-26.1	35.3	0	0	0	112	A637 I642 K656	A637-P654 CarbonylContact O-C 3.54Å; A637-P654 WeakPolarHBondContact O-CA 3.4Å; I642-P654 HydrophobicContact CD1-CB 3.79Å; I642-P654 HydrophobicContact CD1-CG 3.93Å; P654-K656 PolarHBondContact O-N 2.9Å
655	A	91.8	Very high	85.5	Confident	20 Å²	20	76.1 Å²	76.1	17%	0.165	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-61.9	127.9	171.4	0	0	0	0	0	109.6	H636 A637 K653 L658 T668	H636-A655 HydrophobicContact CB-CB 4.04Å; A637-A655 PolarHBondContact O-N 3.08Å; K653-A655 PolarHBondContact O-N 2.93Å; A655-L658 HydrophobicContact CB-CD2 3.97Å; A655-T668 HydrophobicContact CB-CG2 3.82Å
656	K	88.2	Confident	86.3	Confident	213 Å²	213	75.5 Å²	75.5	93%	0.926	38%	0.383	S	S	*	.	S	Bend	trans	-74.6	-33	-178.3	-67.3	-176.7	-179.6	178.4	0	112.8	P654	P654-K656 PolarHBondContact O-N 2.9Å
657	N	92.2	Very high	87.3	Confident	81 Å²	81	72.7 Å²	72.7	43%	0.433	37%	0.37	S	S	.	.			trans	-149.8	130.7	-179.3	179.4	-1.4	0	0	0	107.3	S659 Y660	N657-S659 VanDerWaalsContact C-N 3.33Å; N657-S659 PolarHBondContact OD1-N 3.46Å; N657-Y660 WeakPolarHBondContact O-CB 3.49Å
658	L	94.8	Very high	88.7	Confident	23 Å²	23	69.3 Å²	69.3	12%	0.12	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.4	-178.2	-57.5	-179	0	0	0	112.4	P639 A655 Y660 T668 Y681 Y685	P639-L658 HydrophobicContact CG-CD1 4.1Å; A655-L658 HydrophobicContact CB-CD2 3.97Å; L658-Y660 VanDerWaalsContact C-N 3.33Å; L658-T668 HydrophobicContact CD2-CG2 4.37Å; L658-Y681 HydrophobicContact CD1-CE2 4.1Å; L658-Y685 HydrophobicContact CB-CD1 3.69Å; L658-Y685 HydrophobicContact CB-CD2 4.29Å; L658-Y685 HydrophobicContact CB-CE1 4.02Å; L658-Y685 HydrophobicContact CB-CG 3.83Å; L658-Y685 HydrophobicContact CD1-CD1 4.47Å; L658-Y685 HydrophobicContact CD1-CD2 4.37Å; L658-Y685 HydrophobicContact CD1-CE1 4.04Å; L658-Y685 HydrophobicContact CD1-CE2 3.94Å
659	S	93.7	Very high	89.8	Confident	50 Å²	50	66.8 Å²	66.8	35%	0.35	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	31.6	173.3	-58.9	0	0	0	0	112.5	N657 Y685	N657-S659 VanDerWaalsContact C-N 3.33Å; N657-S659 PolarHBondContact OD1-N 3.46Å; S659-Y685 WeakPolarHBondContact CB-O 3.08Å; S659-Y685 VanDerWaalsContact OG-CA 3.29Å; S659-Y685 WeakPolarHBondContact OG-CA 3.39Å; S659-Y685 PolarHBondContact OG-O 2.85Å
660	Y	91.4	Very high	90.9	Very high	127 Å²	127	66 Å²	66	50%	0.498	33%	0.333	S	S	.	.			trans	-96	129.3	-176.8	-162.6	-99.3	0	0	0	111.4	N657 L658 Y662	N657-Y660 WeakPolarHBondContact O-CB 3.49Å; L658-Y660 VanDerWaalsContact C-N 3.33Å; Y660-Y662 AromaticContact CD1-CD1 3.7Å; Y660-Y662 HydrophobicContact CD1-CD1 3.7Å; Y660-Y662 HydrophobicContact CD1-CD2 4.39Å; Y660-Y662 AromaticContact CD1-CE1 3.81Å; Y660-Y662 HydrophobicContact CD1-CE1 3.81Å; Y660-Y662 HydrophobicContact CD1-CE2 4.48Å; Y660-Y662 HydrophobicContact CD1-CG 4.01Å; Y660-Y662 AromaticContact CE1-CD1 3.91Å; Y660-Y662 HydrophobicContact CE1-CD1 3.91Å; Y660-Y662 HydrophobicContact CE1-CE1 4.29Å; Y660-Y662 HydrophobicContact CE1-CG 4.38Å
661	E	91.9	Very high	92	Very high	50 Å²	50	57.6 Å²	57.6	23%	0.234	29%	0.288	C	S	.	.			trans	-92.7	114.1	170	-176.3	179.2	180	0	0	108.1	S572 G573 V574 E607	S572-E661 WeakPolarHBondContact CA-OE2 3.36Å; S572-E661 WeakPolarHBondContact CB-OE2 3.24Å; G573-E661 VanDerWaalsContact N-CD 3.26Å; G573-E661 PolarHBondContact N-OE2 3.38Å; V574-E661 HydrophobicContact CG2-CB 4.14Å; E607-E661 HydrophobicContact CG-CG 4.22Å; E607-E661 WeakPolarHBondContact OE1-CG 3.46Å
662	Y	92	Very high	93	Very high	35 Å²	35	50.1 Å²	50.1	14%	0.137	25%	0.253	C	S	.	.			trans	-78.7	-38.6	-178.9	-63	-86.9	0	0	0	111.4	E607 H636 Y660 D664 E666 T668	E607-Y662 VanDerWaalsContact CD-N 3.26Å; E607-Y662 PolarHBondContact OE1-N 3.45Å; E607-Y662 VanDerWaalsContact OE1-N 3.14Å; E607-Y662 WeakPolarHBondContact OE2-CB 3.27Å; E607-Y662 WeakPolarHBondContact OE2-CD2 3.41Å; E607-Y662 PolarHBondContact OE2-N 3.23Å; H636-Y662 AromaticContact CD2-CE1 3.47Å; H636-Y662 VanDerWaalsContact CD2-CE1 3.47Å; H636-Y662 WeakPolarHBondContact CD2-CE1 3.4Å; H636-Y662 AromaticContact CD2-CZ 3.55Å; H636-Y662 PolarHBondContact CD2-OH 3.36Å; H636-Y662 AromaticContact NE2-CE1 3.48Å; H636-Y662 WeakPolarHBondContact NE2-CE1 3.44Å; Y660-Y662 AromaticContact CD1-CD1 3.7Å; Y660-Y662 HydrophobicContact CD1-CD1 3.7Å; Y660-Y662 HydrophobicContact CD1-CD2 4.39Å; Y660-Y662 AromaticContact CD1-CE1 3.81Å; Y660-Y662 HydrophobicContact CD1-CE1 3.81Å; Y660-Y662 HydrophobicContact CD1-CE2 4.48Å; Y660-Y662 HydrophobicContact CD1-CG 4.01Å; Y660-Y662 AromaticContact CE1-CD1 3.91Å; Y660-Y662 HydrophobicContact CE1-CD1 3.91Å; Y660-Y662 HydrophobicContact CE1-CE1 4.29Å; Y660-Y662 HydrophobicContact CE1-CG 4.38Å; Y662-D664 PolarHBondContact O-N 3.35Å; Y662-E666 HydrophobicContact CD1-CB 3.65Å; Y662-E666 HydrophobicContact CD1-CG 4.46Å; Y662-E666 HydrophobicContact CE1-CB 4.28Å; Y662-E666 HydrophobicContact CG-CB 3.82Å; Y662-T668 WeakPolarHBondContact CE2-OG1 3.47Å; Y662-T668 PolarHBondContact OH-OG1 2.78Å
663	G	88.1	Confident	93.4	Very high	23 Å²	23	54.2 Å²	54.2	24%	0.237	27%	0.272	C	S	.	.			trans	62.7	18.1	179.5	0	0	0	0	0	114.9	P600 S601 E607	P600-G663 CarbonylContact O-C 3.26Å; P600-G663 WeakPolarHBondContact O-CA 3.22Å; S601-G663 WeakPolarHBondContact CA-O 3.19Å; S601-G663 WeakPolarHBondContact CB-O 3.48Å; E607-G663 PolarHBondContact OE1-N 3.05Å
664	D	91.5	Very high	93.8	Very high	95 Å²	95	50 Å²	50	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	-147.2	-176	179.8	-163.2	1	0	0	0	109.3	K596 Y662 E666	K596-D664 WeakPolarHBondContact CE-O 3.33Å; K596-D664 PolarHBondContact NZ-O 3.27Å; Y662-D664 PolarHBondContact O-N 3.35Å; D664-E666 PolarHBondContact O-N 3.44Å
665	L	95.1	Very high	94.2	Very high	54 Å²	54	46.9 Å²	46.9	28%	0.283	24%	0.239	S	C	.	.	S	Bend	trans	-68.7	56.6	172.1	-65.6	171.9	0	0	0	111.8	C597 P600 V633 K634	C597-L665 HydrophobicContact CB-CD2 4.5Å; P600-L665 HydrophobicContact CB-CD2 4.26Å; P600-L665 HydrophobicContact CB-CG 4.43Å; P600-L665 HydrophobicContact CG-CD2 3.5Å; P600-L665 HydrophobicContact CG-CG 3.91Å; V633-L665 CarbonylContact C-O 3.54Å; V633-L665 VanDerWaalsContact CA-O 3.25Å; V633-L665 WeakPolarHBondContact CA-O 3.24Å; V633-L665 HydrophobicContact CG2-CB 4.35Å; V633-L665 HydrophobicContact CG2-CD2 3.93Å; K634-L665 PolarHBondContact N-O 3.46Å
666	E	95.5	Very high	94.5	Very high	46 Å²	46	49.9 Å²	49.9	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.5	167.6	-44.6	-158	-175	0	0	109.9	K596 K634 H636 Y662 D664	K596-E666 WeakPolarHBondContact CE-O 3.37Å; K596-E666 PolarHBondContact NZ-O 3Å; K634-E666 HydrophobicContact CB-CB 4.33Å; K634-E666 HydrophobicContact CB-CG 3.97Å; K634-E666 IonicContact NZ-OE1 2.69Å; K634-E666 PolarHBondContact NZ-OE1 2.86Å; K634-E666 IonicContact NZ-OE2 3.18Å; K634-E666 PolarHBondContact NZ-OE2 2.76Å; K634-E666 CarbonylContact O-C 3.56Å; K634-E666 WeakPolarHBondContact O-CA 3.31Å; H636-E666 IonicContact CD2-OE2 3.24Å; H636-E666 IonicContact CE1-OE2 2.81Å; H636-E666 PolarHBondContact CE1-OE2 2.79Å; H636-E666 IonicContact NE2-OE2 2.75Å; H636-E666 PolarHBondContact NE2-OE2 3.05Å; Y662-E666 HydrophobicContact CD1-CB 3.65Å; Y662-E666 HydrophobicContact CD1-CG 4.46Å; Y662-E666 HydrophobicContact CE1-CB 4.28Å; Y662-E666 HydrophobicContact CG-CB 3.82Å; D664-E666 PolarHBondContact O-N 3.44Å
667	C	96.8	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.8	171.3	68.4	0	0	0	0	112.5	K596 M606 E607 K634 L635 H636	K596-C667 HydrophobicContact CD-CB 4.16Å; M606-C667 HydrophobicContact CE-CB 4.18Å; E607-C667 WeakPolarHBondContact O-CA 3.45Å; E607-C667 WeakPolarHBondContact O-CB 3.38Å; K634-C667 PolarHBondContact O-N 2.82Å; L635-C667 VanDerWaalsContact CD2-SG 3.55Å; H636-C667 PolarHBondContact N-O 2.88Å
668	T	97.2	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141	168.4	-56.3	0	0	0	0	109.5	E607 T608 L609 H636 A655 L658 Y662	E607-T668 PolarHBondContact O-N 3Å; T608-T668 CarbonylContact C-O 2.84Å; T608-T668 WeakPolarHBondContact CA-O 3.46Å; T608-T668 HydrophobicContact CG2-CG2 4.3Å; L609-T668 PolarHBondContact N-O 2.88Å; H636-T668 CarbonylContact O-C 3.51Å; H636-T668 WeakPolarHBondContact O-CA 3.45Å; A655-T668 HydrophobicContact CB-CG2 3.82Å; L658-T668 HydrophobicContact CD2-CG2 4.37Å; Y662-T668 WeakPolarHBondContact CE2-OG1 3.47Å; Y662-T668 PolarHBondContact OH-OG1 2.78Å
669	V	96.9	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.6	168.4	-173.4	0	0	0	0	107.9	L609 V611 L621 L635 H636 G638 M641 M652	L609-V669 HydrophobicContact CB-CG2 4.47Å; L609-V669 HydrophobicContact CD2-CG1 4.37Å; L609-V669 WeakPolarHBondContact O-CA 3.35Å; V611-V669 HydrophobicContact CG2-CG1 4.46Å; L621-V669 HydrophobicContact CD1-CG1 4.01Å; L635-V669 HydrophobicContact CB-CG2 4.45Å; L635-V669 HydrophobicContact CD2-CG2 4.12Å; H636-V669 PolarHBondContact O-N 3.33Å; G638-V669 PolarHBondContact N-O 2.94Å; M641-V669 HydrophobicContact CE-CB 4.49Å; M641-V669 HydrophobicContact CE-CG1 4.16Å; M641-V669 HydrophobicContact CG-CB 4.49Å; M641-V669 HydrophobicContact CG-CG1 4.36Å; M641-V669 WeakPolarHBondContact CG-O 3.35Å; M641-V669 HydrophobicContact SD-CG1 4.14Å; M652-V669 HydrophobicContact CE-CB 3.69Å; M652-V669 HydrophobicContact CE-CG2 3.81Å
670	E	96.3	Very high	95.6	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143	-178.6	175.9	63.5	175.2	0	0	111.8	L609 L610 V611 G638 P639 G640 Y681	L609-E670 PolarHBondContact O-N 3.43Å; L610-E670 CarbonylContact C-O 3.6Å; L610-E670 WeakPolarHBondContact CA-O 3.37Å; L610-E670 HydrophobicContact CD2-CB 3.83Å; L610-E670 HydrophobicContact CD2-CG 4.11Å; V611-E670 PolarHBondContact N-O 3.45Å; G638-E670 WeakPolarHBondContact CA-OE2 3.48Å; P639-E670 WeakPolarHBondContact CD-OE2 3.39Å; G640-E670 WeakPolarHBondContact CA-OE1 3.37Å; G640-E670 PolarHBondContact N-OE1 2.74Å; G640-E670 PolarHBondContact N-OE2 2.84Å; E670-Y681 HydrophobicContact CB-CE2 4.45Å; E670-Y681 HydrophobicContact CG-CD2 4.31Å; E670-Y681 HydrophobicContact CG-CE2 3.75Å
671	L	96.1	Very high	95.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129	176	-69.3	171	0	0	0	111	V611 L621 M641 L644 Q646	V611-L671 HydrophobicContact CB-CD2 3.94Å; V611-L671 HydrophobicContact CG1-CD2 4.24Å; V611-L671 WeakPolarHBondContact O-CA 3.36Å; V611-L671 WeakPolarHBondContact O-CD2 3.49Å; L621-L671 HydrophobicContact CD1-CD2 4.2Å; L621-L671 HydrophobicContact CD2-CD1 4.13Å; L621-L671 HydrophobicContact CD2-CD2 3.99Å; L621-L671 HydrophobicContact CD2-CG 4.48Å; M641-L671 HydrophobicContact CG-CG 4.29Å; M641-L671 HydrophobicContact SD-CD1 3.68Å; M641-L671 HydrophobicContact SD-CD2 4.36Å; M641-L671 HydrophobicContact SD-CG 3.64Å; L644-L671 HydrophobicContact CB-CD1 4.31Å; L644-L671 HydrophobicContact CD1-CB 4.26Å; L644-L671 HydrophobicContact CD1-CD1 3.59Å; Q646-L671 HydrophobicContact CB-CD1 4.25Å; Q646-L671 HydrophobicContact CG-CD1 4.02Å
672	V	97	Very high	96.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.6	176.7	-63.8	0	0	0	0	110.4	Y578 L610 V611 H612 K613 E677 A678	Y578-V672 HydrophobicContact CD2-CG2 3.98Å; Y578-V672 HydrophobicContact CE2-CG2 3.48Å; Y578-V672 VanDerWaalsContact CE2-CG2 3.48Å; L610-V672 HydrophobicContact CB-CG2 4.5Å; L610-V672 HydrophobicContact CD2-CG1 4.36Å; V611-V672 PolarHBondContact O-N 3.4Å; H612-V672 CarbonylContact C-O 3.52Å; H612-V672 WeakPolarHBondContact CA-O 3.48Å; K613-V672 PolarHBondContact N-O 3.17Å; V672-E677 HydrophobicContact CB-CB 4.36Å; V672-E677 HydrophobicContact CB-CG 4.14Å; V672-E677 HydrophobicContact CG1-CG 4.16Å; V672-A678 HydrophobicContact CG2-CB 4.14Å
673	E	96	Very high	96.5	Very high	94 Å²	94	37 Å²	37	44%	0.439	21%	0.211	S	C	.	.	S	Bend	trans	-94.3	-14.6	-174.4	-50.9	-155.7	171.7	0	0	114.4	H612 K613 E677	H612-E673 PolarHBondContact NE2-O 3.29Å; K613-E673 HydrophobicContact CD-CB 4.12Å; K613-E673 HydrophobicContact CD-CG 3.92Å; K613-E673 VanDerWaalsContact NZ-CD 3.27Å; K613-E673 IonicContact NZ-OE1 3.41Å; K613-E673 IonicContact NZ-OE2 3.79Å; K613-E673 PolarHBondContact NZ-OE2 3.01Å; E673-E677 WeakPolarHBondContact CA-OE2 3.19Å; E673-E677 WeakPolarHBondContact CB-OE2 3.12Å; E673-E677 VanDerWaalsContact CG-OE2 3.3Å; E673-E677 WeakPolarHBondContact CG-OE2 3.24Å; E673-E677 PolarHBondContact N-OE2 2.89Å
674	S	97.4	Very high	96.9	Very high	46 Å²	46	39.4 Å²	39.4	32%	0.322	22%	0.224	S	C	.	.	S	Bend	trans	-162.7	169.4	-176.9	66	0	0	0	0	112.1	D676 E677 A678	S674-D676 VanDerWaalsContact C-N 3.31Å; S674-E677 PolarHBondContact O-N 2.81Å; S674-E677 PolarHBondContact OG-N 3Å; S674-A678 PolarHBondContact O-N 2.84Å; S674-A678 VanDerWaalsContact O-N 3.07Å
675	V	98.1	Very high	97.1	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-36	172	67.5	0	0	0	0	112.2	Y578 A678 I679 I693 T700 I703 F704	Y578-V675 HydrophobicContact CE1-CB 4.04Å; Y578-V675 HydrophobicContact CE1-CG2 3.99Å; Y578-V675 PolarHBondContact OH-N 3.07Å; V675-A678 WeakPolarHBondContact O-CB 3.42Å; V675-A678 PolarHBondContact O-N 2.93Å; V675-I679 HydrophobicContact CG2-CD1 3.99Å; V675-I679 HydrophobicContact CG2-CG1 4.5Å; V675-I679 WeakPolarHBondContact O-CD1 3.5Å; V675-I679 VanDerWaalsContact O-CG1 3.25Å; V675-I679 WeakPolarHBondContact O-CG1 3.35Å; V675-I679 PolarHBondContact O-N 2.75Å; V675-I693 HydrophobicContact CG2-CD1 4.26Å; V675-T700 HydrophobicContact CB-CG2 3.76Å; V675-T700 HydrophobicContact CG1-CG2 4.06Å; V675-T700 HydrophobicContact CG2-CG2 3.81Å; V675-I703 HydrophobicContact CG1-CG2 4.25Å; V675-F704 HydrophobicContact CG2-CB 4.07Å; V675-F704 HydrophobicContact CG2-CD2 4.05Å
676	D	98.3	Very high	97.1	Very high	83 Å²	83	37.7 Å²	37.7	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-39.9	178.9	-71.1	-51.6	0	0	0	111	S674 I679 E680 K707	S674-D676 VanDerWaalsContact C-N 3.31Å; D676-I679 PolarHBondContact O-N 2.82Å; D676-E680 WeakPolarHBondContact O-CB 3.48Å; D676-E680 PolarHBondContact O-N 2.76Å; D676-K707 IonicContact OD1-NZ 2.7Å; D676-K707 PolarHBondContact OD1-NZ 2.96Å
677	E	97.9	Very high	97	Very high	58 Å²	58	36.4 Å²	36.4	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-36.8	173.5	-173.3	179.8	178.6	0	0	111.8	V672 E673 S674 E680 Y681	V672-E677 HydrophobicContact CB-CB 4.36Å; V672-E677 HydrophobicContact CB-CG 4.14Å; V672-E677 HydrophobicContact CG1-CG 4.16Å; E673-E677 WeakPolarHBondContact CA-OE2 3.19Å; E673-E677 WeakPolarHBondContact CB-OE2 3.12Å; E673-E677 VanDerWaalsContact CG-OE2 3.3Å; E673-E677 WeakPolarHBondContact CG-OE2 3.24Å; E673-E677 PolarHBondContact N-OE2 2.89Å; S674-E677 PolarHBondContact O-N 2.81Å; S674-E677 PolarHBondContact OG-N 3Å; E677-E680 PolarHBondContact O-N 2.84Å; E677-Y681 WeakPolarHBondContact O-CB 3.4Å; E677-Y681 PolarHBondContact O-N 2.93Å
678	A	98.4	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-44.2	173.7	0	0	0	0	0	111.5	Y578 L610 V672 S674 V675 Y681 I682	Y578-A678 HydrophobicContact CD1-CB 3.78Å; Y578-A678 HydrophobicContact CD2-CB 3.76Å; Y578-A678 HydrophobicContact CE1-CB 3.92Å; Y578-A678 HydrophobicContact CE2-CB 3.89Å; Y578-A678 HydrophobicContact CG-CB 3.71Å; L610-A678 HydrophobicContact CD1-CB 4.23Å; V672-A678 HydrophobicContact CG2-CB 4.14Å; S674-A678 PolarHBondContact O-N 2.84Å; S674-A678 VanDerWaalsContact O-N 3.07Å; V675-A678 WeakPolarHBondContact O-CB 3.42Å; V675-A678 PolarHBondContact O-N 2.93Å; A678-Y681 PolarHBondContact O-N 2.84Å; A678-I682 WeakPolarHBondContact O-CB 3.42Å; A678-I682 WeakPolarHBondContact O-CD1 3.37Å; A678-I682 VanDerWaalsContact O-CG1 3.24Å; A678-I682 WeakPolarHBondContact O-CG1 3.42Å; A678-I682 PolarHBondContact O-N 2.89Å
679	I	98.5	Very high	96.8	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-43.6	176.6	-67.1	156.8	0	0	0	110.8	V675 D676 Y681 I682 G683 I703 F704 K707	V675-I679 HydrophobicContact CG2-CD1 3.99Å; V675-I679 HydrophobicContact CG2-CG1 4.5Å; V675-I679 WeakPolarHBondContact O-CD1 3.5Å; V675-I679 VanDerWaalsContact O-CG1 3.25Å; V675-I679 WeakPolarHBondContact O-CG1 3.35Å; V675-I679 PolarHBondContact O-N 2.75Å; D676-I679 PolarHBondContact O-N 2.82Å; I679-Y681 VanDerWaalsContact C-N 3.35Å; I679-I682 PolarHBondContact O-N 2.76Å; I679-G683 PolarHBondContact O-N 3.19Å; I679-I703 HydrophobicContact CD1-CG2 4.12Å; I679-F704 HydrophobicContact CG1-CD2 4Å; I679-F704 HydrophobicContact CG1-CE2 4.46Å; I679-K707 HydrophobicContact CD1-CB 3.84Å; I679-K707 HydrophobicContact CD1-CD 4.06Å; I679-K707 HydrophobicContact CG2-CB 4.1Å
680	E	98.1	Very high	96.8	Very high	136 Å²	136	37.6 Å²	37.6	64%	0.636	22%	0.221	S	C	*	.	H	α-helix	trans	-62.7	-41.9	176.9	-175.9	176.2	-172.5	0	0	111.8	D676 E677 G683 S684	D676-E680 WeakPolarHBondContact O-CB 3.48Å; D676-E680 PolarHBondContact O-N 2.76Å; E677-E680 PolarHBondContact O-N 2.84Å; E680-G683 PolarHBondContact O-N 3.34Å; E680-S684 WeakPolarHBondContact O-CB 3.36Å; E680-S684 PolarHBondContact O-N 3.25Å; E680-S684 PolarHBondContact O-OG 3.36Å
681	Y	98	Very high	97	Very high	17 Å²	17	37.2 Å²	37.2	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-50.7	174.8	-171	-76.2	0	0	0	110.9	H576 T608 L610 L658 E670 E677 A678 I679 G683 S684 Y685	H576-Y681 AromaticContact CD2-CD1 3.94Å; H576-Y681 AromaticContact CD2-CE1 3.83Å; H576-Y681 AromaticContact NE2-CD1 3.79Å; H576-Y681 AromaticContact NE2-CE1 3.51Å; T608-Y681 HydrophobicContact CG2-CE1 4Å; L610-Y681 HydrophobicContact CD1-CD1 3.95Å; L610-Y681 HydrophobicContact CD1-CG 4.27Å; L610-Y681 HydrophobicContact CD2-CD1 3.71Å; L610-Y681 HydrophobicContact CD2-CD2 4.34Å; L610-Y681 HydrophobicContact CD2-CE1 3.78Å; L610-Y681 HydrophobicContact CD2-CE2 4.39Å; L610-Y681 HydrophobicContact CD2-CG 4Å; L610-Y681 HydrophobicContact CG-CD1 4.4Å; L658-Y681 HydrophobicContact CD1-CE2 4.1Å; E670-Y681 HydrophobicContact CB-CE2 4.45Å; E670-Y681 HydrophobicContact CG-CD2 4.31Å; E670-Y681 HydrophobicContact CG-CE2 3.75Å; E677-Y681 WeakPolarHBondContact O-CB 3.4Å; E677-Y681 PolarHBondContact O-N 2.93Å; A678-Y681 PolarHBondContact O-N 2.84Å; I679-Y681 VanDerWaalsContact C-N 3.35Å; Y681-G683 VanDerWaalsContact C-N 3.33Å; Y681-G683 PolarHBondContact O-N 3.24Å; Y681-S684 PolarHBondContact O-N 2.98Å; Y681-S684 VanDerWaalsContact O-N 3.15Å; Y681-Y685 AromaticContact CD1-CD2 3.77Å; Y681-Y685 HydrophobicContact CD1-CD2 3.77Å; Y681-Y685 AromaticContact CD2-CD2 3.72Å; Y681-Y685 HydrophobicContact CD2-CD2 3.72Å; Y681-Y685 AromaticContact CD2-CE2 3.85Å; Y681-Y685 HydrophobicContact CD2-CE2 3.85Å; Y681-Y685 AromaticContact CE1-CD2 3.73Å; Y681-Y685 HydrophobicContact CE1-CD2 3.73Å; Y681-Y685 HydrophobicContact CE1-CG 4.25Å; Y681-Y685 AromaticContact CE2-CD2 3.7Å; Y681-Y685 HydrophobicContact CE2-CD2 3.7Å; Y681-Y685 AromaticContact CE2-CE2 3.86Å; Y681-Y685 HydrophobicContact CE2-CE2 3.86Å; Y681-Y685 AromaticContact CG-CD2 3.77Å; Y681-Y685 HydrophobicContact CG-CD2 3.77Å; Y681-Y685 HydrophobicContact CG-CE2 4.29Å; Y681-Y685 AromaticContact CZ-CD2 3.72Å; Y681-Y685 VanDerWaalsContact O-CD2 3.3Å; Y681-Y685 WeakPolarHBondContact O-CD2 3.25Å; Y681-Y685 PolarHBondContact O-N 3.02Å
682	I	98	Very high	97.1	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-44.5	178.8	-71.4	165.6	0	0	0	110.7	H576 L610 A678 I679 S684 G686 E691 F704 T708	H576-I682 HydrophobicContact CB-CD1 4.19Å; H576-I682 HydrophobicContact CB-CG1 3.95Å; L610-I682 HydrophobicContact CD1-CD1 4.21Å; L610-I682 HydrophobicContact CD1-CG1 3.93Å; A678-I682 WeakPolarHBondContact O-CB 3.42Å; A678-I682 WeakPolarHBondContact O-CD1 3.37Å; A678-I682 VanDerWaalsContact O-CG1 3.24Å; A678-I682 WeakPolarHBondContact O-CG1 3.42Å; A678-I682 PolarHBondContact O-N 2.89Å; I679-I682 PolarHBondContact O-N 2.76Å; I682-S684 VanDerWaalsContact C-N 3.25Å; I682-S684 PolarHBondContact O-N 2.84Å; I682-G686 VanDerWaalsContact O-CA 3.25Å; I682-G686 WeakPolarHBondContact O-CA 3.43Å; I682-G686 PolarHBondContact O-N 2.81Å; I682-E691 HydrophobicContact CD1-CB 4.29Å; I682-E691 HydrophobicContact CG2-CG 3.67Å; I682-F704 HydrophobicContact CD1-CE2 3.62Å; I682-F704 HydrophobicContact CD1-CZ 3.59Å; I682-T708 HydrophobicContact CG2-CG2 3.87Å
683	G	96.6	Very high	97.2	Very high	69 Å²	69	37.1 Å²	37.1	71%	0.711	22%	0.219	S	C	*	.	H	α-helix	trans	-64.4	-29.6	178.1	0	0	0	0	0	113.5	I679 E680 Y681	I679-G683 PolarHBondContact O-N 3.19Å; E680-G683 PolarHBondContact O-N 3.34Å; Y681-G683 VanDerWaalsContact C-N 3.33Å; Y681-G683 PolarHBondContact O-N 3.24Å
684	S	96.6	Very high	97.3	Very high	73 Å²	73	32.6 Å²	32.6	51%	0.51	20%	0.198	S	C	.	.	H	α-helix	trans	-84.8	-38.2	-179.7	-60.2	0	0	0	0	113.1	E680 Y681 I682	E680-S684 WeakPolarHBondContact O-CB 3.36Å; E680-S684 PolarHBondContact O-N 3.25Å; E680-S684 PolarHBondContact O-OG 3.36Å; Y681-S684 PolarHBondContact O-N 2.98Å; Y681-S684 VanDerWaalsContact O-N 3.15Å; I682-S684 VanDerWaalsContact C-N 3.25Å; I682-S684 PolarHBondContact O-N 2.84Å
685	Y	96.7	Very high	97.4	Very high	89 Å²	89	30.4 Å²	30.4	35%	0.349	18%	0.182	S	C	.	.	H	α-helix	trans	-117.6	-18.4	-168.2	-57.8	-64.4	0	0	0	114.8	L658 S659 Y681	L658-Y685 HydrophobicContact CB-CD1 3.69Å; L658-Y685 HydrophobicContact CB-CD2 4.29Å; L658-Y685 HydrophobicContact CB-CE1 4.02Å; L658-Y685 HydrophobicContact CB-CG 3.83Å; L658-Y685 HydrophobicContact CD1-CD1 4.47Å; L658-Y685 HydrophobicContact CD1-CD2 4.37Å; L658-Y685 HydrophobicContact CD1-CE1 4.04Å; L658-Y685 HydrophobicContact CD1-CE2 3.94Å; S659-Y685 WeakPolarHBondContact CB-O 3.08Å; S659-Y685 VanDerWaalsContact OG-CA 3.29Å; S659-Y685 WeakPolarHBondContact OG-CA 3.39Å; S659-Y685 PolarHBondContact OG-O 2.85Å; Y681-Y685 AromaticContact CD1-CD2 3.77Å; Y681-Y685 HydrophobicContact CD1-CD2 3.77Å; Y681-Y685 AromaticContact CD2-CD2 3.72Å; Y681-Y685 HydrophobicContact CD2-CD2 3.72Å; Y681-Y685 AromaticContact CD2-CE2 3.85Å; Y681-Y685 HydrophobicContact CD2-CE2 3.85Å; Y681-Y685 AromaticContact CE1-CD2 3.73Å; Y681-Y685 HydrophobicContact CE1-CD2 3.73Å; Y681-Y685 HydrophobicContact CE1-CG 4.25Å; Y681-Y685 AromaticContact CE2-CD2 3.7Å; Y681-Y685 HydrophobicContact CE2-CD2 3.7Å; Y681-Y685 AromaticContact CE2-CE2 3.86Å; Y681-Y685 HydrophobicContact CE2-CE2 3.86Å; Y681-Y685 AromaticContact CG-CD2 3.77Å; Y681-Y685 HydrophobicContact CG-CD2 3.77Å; Y681-Y685 HydrophobicContact CG-CE2 4.29Å; Y681-Y685 AromaticContact CZ-CD2 3.72Å; Y681-Y685 VanDerWaalsContact O-CD2 3.3Å; Y681-Y685 WeakPolarHBondContact O-CD2 3.25Å; Y681-Y685 PolarHBondContact O-N 3.02Å
686	G	95.1	Very high	97.4	Very high	25 Å²	25	34 Å²	34	26%	0.258	20%	0.198	S	C	.	.			trans	-75.1	162.6	179.8	0	0	0	0	0	114.4	I682 A688	I682-G686 VanDerWaalsContact O-CA 3.25Å; I682-G686 WeakPolarHBondContact O-CA 3.43Å; I682-G686 PolarHBondContact O-N 2.81Å; G686-A688 VanDerWaalsContact C-N 3.33Å
687	S	93.5	Very high	97.4	Very high	18 Å²	18	33.4 Å²	33.4	13%	0.126	20%	0.195	C	C	.	.			trans	-92.1	5.5	-179.3	60.2	0	0	0	0	113.5	S572 V574 H689	S572-S687 WeakPolarHBondContact O-CB 3.29Å; V574-S687 PolarHBondContact N-OG 2.85Å; V574-S687 PolarHBondContact O-N 3.29Å; V574-S687 PolarHBondContact O-OG 2.69Å; S687-H689 PolarHBondContact O-N 3.31Å; S687-H689 VanDerWaalsContact OG-CB 3.26Å; S687-H689 WeakPolarHBondContact OG-CB 3.38Å
688	A	94.7	Very high	97.4	Very high	26 Å²	26	38.4 Å²	38.4	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	56.8	27	-169.2	0	0	0	0	0	113.5	G686 S710 S711	G686-A688 VanDerWaalsContact C-N 3.33Å; A688-S710 WeakPolarHBondContact CA-OG 3.42Å; A688-S711 WeakPolarHBondContact O-CB 3.38Å; A688-S711 PolarHBondContact O-N 3.4Å; A688-S711 PolarHBondContact O-OG 3.34Å
689	H	95	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-87.7	-77.4	-177.1	-168.8	-61.1	0	0	0	111.6	H570 S687 S711 C712 I735 T737	H570-H689 AromaticContact CD2-NE2 3.95Å; H570-H689 AromaticContact CG-CD2 3.84Å; H570-H689 AromaticContact ND1-CD2 3.94Å; S687-H689 PolarHBondContact O-N 3.31Å; S687-H689 VanDerWaalsContact OG-CB 3.26Å; S687-H689 WeakPolarHBondContact OG-CB 3.38Å; H689-S711 WeakPolarHBondContact O-CB 3.39Å; H689-S711 PolarHBondContact O-N 2.8Å; H689-C712 PolarHBondContact O-N 3.43Å; H689-I735 WeakPolarHBondContact NE2-CG2 3.43Å; H689-T737 HydrophobicContact CB-CG2 3.93Å
690	T	97.7	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	129.2	-176.9	-57.3	0	0	0	0	110.8	C575 C712 F714 T719 A722	C575-T690 WeakPolarHBondContact CA-O 3.19Å; C575-T690 WeakPolarHBondContact CB-O 3.42Å; C575-T690 PolarHBondContact SG-O 3.11Å; T690-C712 WeakPolarHBondContact CA-O 3.44Å; T690-C712 HydrophobicContact CG2-CB 3.91Å; T690-F714 HydrophobicContact CG2-CD2 3.78Å; T690-F714 HydrophobicContact CG2-CE2 3.34Å; T690-F714 HydrophobicContact CG2-CZ 3.99Å; T690-T719 HydrophobicContact CG2-CG2 4.11Å; T690-A722 HydrophobicContact CG2-CB 3.75Å; T690-A722 WeakPolarHBondContact OG1-CB 3.37Å
691	E	98.5	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143	-179.2	-39.6	-62	163.4	0	0	109.3	H576 I682 F704 T708 S710 C712 V713 F714	H576-E691 WeakPolarHBondContact CA-OE2 3.29Å; H576-E691 WeakPolarHBondContact CB-OE2 3.49Å; H576-E691 IonicContact CG-OE2 2.81Å; H576-E691 PolarHBondContact N-OE2 3.23Å; H576-E691 IonicContact ND1-OE1 2.7Å; H576-E691 IonicContact ND1-OE2 3.8Å; H576-E691 PolarHBondContact ND1-OE2 3.25Å; H576-E691 WeakPolarHBondContact O-CA 3.41Å; I682-E691 HydrophobicContact CD1-CB 4.29Å; I682-E691 HydrophobicContact CG2-CG 3.67Å; E691-F704 HydrophobicContact CB-CE1 4.28Å; E691-F704 HydrophobicContact CB-CZ 4.13Å; E691-T708 HydrophobicContact CB-CG2 3.96Å; E691-T708 HydrophobicContact CG-CG2 3.75Å; E691-S710 WeakPolarHBondContact CG-OG 3.36Å; E691-S710 PolarHBondContact OE1-OG 2.89Å; E691-S710 VanDerWaalsContact OE1-OG 3.07Å; E691-C712 PolarHBondContact N-O 3.04Å; E691-V713 CarbonylContact O-C 3.58Å; E691-V713 WeakPolarHBondContact O-CA 3.24Å; E691-F714 PolarHBondContact O-N 2.97Å
692	S	98.8	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.1	177.2	178.6	0	0	0	0	111.4	H576 V577 Y578 F714 V717	H576-S692 PolarHBondContact O-N 3.39Å; V577-S692 CarbonylContact C-O 3.59Å; V577-S692 WeakPolarHBondContact CA-O 3.39Å; Y578-S692 PolarHBondContact N-O 3.29Å; S692-F714 WeakPolarHBondContact CA-O 3.14Å; S692-V717 WeakPolarHBondContact CB-O 3.48Å; S692-V717 PolarHBondContact OG-O 3.45Å
693	I	98.9	Very high	97.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.5	163.4	-176.2	168.1	0	0	0	110.5	Y578 D580 V675 T695 T700 F704 F714 H715 N716	Y578-I693 HydrophobicContact CD1-CB 4.37Å; Y578-I693 HydrophobicContact CD1-CD1 3.72Å; Y578-I693 HydrophobicContact CD1-CG1 3.73Å; Y578-I693 HydrophobicContact CE1-CD1 3.88Å; Y578-I693 HydrophobicContact CE1-CG1 4.28Å; Y578-I693 CarbonylContact O-C 3.57Å; Y578-I693 WeakPolarHBondContact O-CA 3.37Å; D580-I693 HydrophobicContact CB-CD1 4.25Å; D580-I693 HydrophobicContact CB-CG1 4.36Å; V675-I693 HydrophobicContact CG2-CD1 4.26Å; I693-T695 HydrophobicContact CD1-CG2 3.8Å; I693-T695 HydrophobicContact CG1-CG2 3.92Å; I693-T700 HydrophobicContact CD1-CG2 3.94Å; I693-F704 HydrophobicContact CB-CB 4.19Å; I693-F704 HydrophobicContact CB-CD1 3.56Å; I693-F704 HydrophobicContact CB-CD2 4.01Å; I693-F704 HydrophobicContact CB-CE1 3.82Å; I693-F704 HydrophobicContact CB-CE2 4.25Å; I693-F704 HydrophobicContact CB-CG 3.65Å; I693-F704 HydrophobicContact CB-CZ 4.16Å; I693-F704 HydrophobicContact CD1-CB 3.72Å; I693-F704 HydrophobicContact CD1-CD2 4.06Å; I693-F704 HydrophobicContact CD1-CG 3.92Å; I693-F704 HydrophobicContact CG1-CD2 4.48Å; I693-F704 HydrophobicContact CG1-CG 4.35Å; I693-F704 HydrophobicContact CG2-CB 3.93Å; I693-F704 HydrophobicContact CG2-CD1 3.43Å; I693-F704 VanDerWaalsContact CG2-CD1 3.43Å; I693-F704 HydrophobicContact CG2-CE1 4.04Å; I693-F704 HydrophobicContact CG2-CG 3.74Å; I693-F714 WeakPolarHBondContact CG2-O 3.3Å; I693-F714 PolarHBondContact N-O 2.63Å; I693-H715 HydrophobicContact CG2-CB 4.24Å; I693-H715 WeakPolarHBondContact O-CA 3.35Å; I693-N716 PolarHBondContact O-N 3.34Å
694	V	98.9	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.5	167.9	-171.4	0	0	0	0	108.2	V577 Y578 D580 A583 K587 A588 I591 N716	V577-V694 HydrophobicContact CG1-CG2 3.95Å; Y578-V694 PolarHBondContact O-N 3.28Å; D580-V694 WeakPolarHBondContact CB-O 3.45Å; D580-V694 PolarHBondContact N-O 3.3Å; D580-V694 VanDerWaalsContact N-O 3.07Å; A583-V694 HydrophobicContact CB-CB 4.48Å; A583-V694 HydrophobicContact CB-CG1 4.09Å; A583-V694 WeakPolarHBondContact CB-O 3.35Å; K587-V694 HydrophobicContact CB-CG1 4.37Å; A588-V694 HydrophobicContact CB-CG1 4.05Å; I591-V694 HydrophobicContact CB-CG2 4.26Å; I591-V694 HydrophobicContact CD1-CG1 4.23Å; I591-V694 HydrophobicContact CD1-CG2 3.85Å; I591-V694 HydrophobicContact CG2-CG2 3.95Å; V694-N716 VanDerWaalsContact CA-OD1 3.28Å; V694-N716 WeakPolarHBondContact CA-OD1 3.48Å
695	T	98.7	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.			trans	-158.6	148	179.9	-171.4	0	0	0	0	111	D580 I693 D697 A701 H715 N716	D580-T695 WeakPolarHBondContact OD2-CB 3.42Å; D580-T695 PolarHBondContact OD2-OG1 3.24Å; I693-T695 HydrophobicContact CD1-CG2 3.8Å; I693-T695 HydrophobicContact CG1-CG2 3.92Å; T695-D697 WeakPolarHBondContact CG2-O 3.17Å; T695-D697 PolarHBondContact OG1-N 2.91Å; T695-A701 HydrophobicContact CG2-CB 3.73Å; T695-H715 PolarHBondContact O-NE2 3.07Å; T695-N716 PolarHBondContact N-OD1 3.46Å; T695-N716 PolarHBondContact O-ND2 2.86Å; T695-N716 PolarHBondContact O-OD1 2.84Å
696	E	98.5	Very high	97.7	Very high	92 Å²	92	43 Å²	43	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-93.2	-8.7	165.2	-59.2	-55.3	116.2	0	0	112.7	A582 D584 K587 K698 N716	A582-E696 WeakPolarHBondContact O-CB 3.05Å; A582-E696 PolarHBondContact O-N 3.26Å; D584-E696 HydrophobicContact CB-CG 4.1Å; K587-E696 IonicContact NZ-OE1 2.83Å; K587-E696 PolarHBondContact NZ-OE1 2.9Å; K587-E696 IonicContact NZ-OE2 2.71Å; K587-E696 PolarHBondContact NZ-OE2 2.81Å; E696-K698 PolarHBondContact O-N 2.88Å; E696-N716 PolarHBondContact OE1-ND2 2.98Å
697	D	98.5	Very high	97.8	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	24%	0.239	S	C	.	.			trans	-78.3	110.8	173.1	-170.9	-28.1	0	0	0	110.3	A582 T695 A699 T700 A701	A582-D697 HydrophobicContact CB-CB 4.04Å; T695-D697 WeakPolarHBondContact CG2-O 3.17Å; T695-D697 PolarHBondContact OG1-N 2.91Å; D697-A699 PolarHBondContact O-N 2.82Å; D697-A699 WeakPolarHBondContact OD1-CB 3.45Å; D697-A699 PolarHBondContact OD1-N 2.79Å; D697-T700 PolarHBondContact O-N 2.75Å; D697-T700 PolarHBondContact OD1-N 2.81Å; D697-T700 PolarHBondContact OD2-OG1 2.9Å; D697-A701 WeakPolarHBondContact O-CB 3.28Å; D697-A701 PolarHBondContact O-N 3.18Å
698	K	98	Very high	98	Very high	163 Å²	163	46.7 Å²	46.7	71%	0.709	24%	0.236	S	C	*	.	H	α-helix	trans	-64.3	-37.4	-179.6	-66.6	-176.6	179.2	-178.8	0	113	E696 A701 E702	E696-K698 PolarHBondContact O-N 2.88Å; K698-A701 PolarHBondContact O-N 2.83Å; K698-E702 WeakPolarHBondContact O-CG 3.08Å; K698-E702 PolarHBondContact O-N 2.62Å
699	A	98.3	Very high	98.1	Very high	52 Å²	52	48.9 Å²	48.9	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-42	-179.4	0	0	0	0	0	110.2	D697 E702 I703	D697-A699 PolarHBondContact O-N 2.82Å; D697-A699 WeakPolarHBondContact OD1-CB 3.45Å; D697-A699 PolarHBondContact OD1-N 2.79Å; A699-E702 PolarHBondContact O-N 3.09Å; A699-I703 VanDerWaalsContact O-CG1 3.27Å; A699-I703 WeakPolarHBondContact O-CG1 3.48Å; A699-I703 PolarHBondContact O-N 3.34Å
700	T	98.4	Very high	98.1	Very high	21 Å²	21	49.6 Å²	49.6	13%	0.129	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-40.6	174.6	-56.1	0	0	0	0	111.7	V675 I693 D697 I703 F704	V675-T700 HydrophobicContact CB-CG2 3.76Å; V675-T700 HydrophobicContact CG1-CG2 4.06Å; V675-T700 HydrophobicContact CG2-CG2 3.81Å; I693-T700 HydrophobicContact CD1-CG2 3.94Å; D697-T700 PolarHBondContact O-N 2.75Å; D697-T700 PolarHBondContact OD1-N 2.81Å; D697-T700 PolarHBondContact OD2-OG1 2.9Å; T700-I703 PolarHBondContact O-N 2.86Å; T700-F704 PolarHBondContact O-N 3.43Å
701	A	98.5	Very high	97.9	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-47.1	174.5	0	0	0	0	0	112.1	T695 D697 K698 I703 F704 L705	T695-A701 HydrophobicContact CG2-CB 3.73Å; D697-A701 WeakPolarHBondContact O-CB 3.28Å; D697-A701 PolarHBondContact O-N 3.18Å; K698-A701 PolarHBondContact O-N 2.83Å; A701-I703 PolarHBondContact O-N 3.39Å; A701-F704 PolarHBondContact O-N 3.34Å; A701-L705 WeakPolarHBondContact O-CB 3.43Å; A701-L705 VanDerWaalsContact O-CG 3.27Å; A701-L705 WeakPolarHBondContact O-CG 3.34Å; A701-L705 PolarHBondContact O-N 3.34Å
702	E	98.4	Very high	97.9	Very high	131 Å²	131	50.9 Å²	50.9	61%	0.612	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-44.2	178.1	-74.8	172.8	-177.4	0	0	111.7	K698 A699 F704 L705 E706	K698-E702 WeakPolarHBondContact O-CG 3.08Å; K698-E702 PolarHBondContact O-N 2.62Å; A699-E702 PolarHBondContact O-N 3.09Å; E702-F704 VanDerWaalsContact C-N 3.33Å; E702-F704 PolarHBondContact O-N 2.87Å; E702-L705 PolarHBondContact O-N 2.92Å; E702-E706 WeakPolarHBondContact O-CB 3.12Å; E702-E706 PolarHBondContact O-N 3.41Å
703	I	98.4	Very high	97.8	Very high	61 Å²	61	52.4 Å²	52.4	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-45.6	175.4	-70.2	165.4	0	0	0	111.1	V675 I679 A699 T700 A701 K707	V675-I703 HydrophobicContact CG1-CG2 4.25Å; I679-I703 HydrophobicContact CD1-CG2 4.12Å; A699-I703 VanDerWaalsContact O-CG1 3.27Å; A699-I703 WeakPolarHBondContact O-CG1 3.48Å; A699-I703 PolarHBondContact O-N 3.34Å; T700-I703 PolarHBondContact O-N 2.86Å; A701-I703 PolarHBondContact O-N 3.39Å; I703-K707 HydrophobicContact CG2-CD 3.9Å; I703-K707 HydrophobicContact CG2-CG 4.43Å; I703-K707 VanDerWaalsContact O-CB 3.31Å; I703-K707 WeakPolarHBondContact O-CB 3.49Å; I703-K707 WeakPolarHBondContact O-CG 3.48Å; I703-K707 PolarHBondContact O-N 2.71Å
704	F	98.7	Very high	97.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-46.8	179.6	-172.9	-87.7	0	0	0	111.8	Y578 V675 I679 I682 E691 I693 T700 A701 E702 E706 T708 V713	Y578-F704 HydrophobicContact CD1-CD2 4.1Å; Y578-F704 HydrophobicContact CD1-CE2 4.05Å; Y578-F704 HydrophobicContact CG-CE2 4.49Å; V675-F704 HydrophobicContact CG2-CB 4.07Å; V675-F704 HydrophobicContact CG2-CD2 4.05Å; I679-F704 HydrophobicContact CG1-CD2 4Å; I679-F704 HydrophobicContact CG1-CE2 4.46Å; I682-F704 HydrophobicContact CD1-CE2 3.62Å; I682-F704 HydrophobicContact CD1-CZ 3.59Å; E691-F704 HydrophobicContact CB-CE1 4.28Å; E691-F704 HydrophobicContact CB-CZ 4.13Å; I693-F704 HydrophobicContact CB-CB 4.19Å; I693-F704 HydrophobicContact CB-CD1 3.56Å; I693-F704 HydrophobicContact CB-CD2 4.01Å; I693-F704 HydrophobicContact CB-CE1 3.82Å; I693-F704 HydrophobicContact CB-CE2 4.25Å; I693-F704 HydrophobicContact CB-CG 3.65Å; I693-F704 HydrophobicContact CB-CZ 4.16Å; I693-F704 HydrophobicContact CD1-CB 3.72Å; I693-F704 HydrophobicContact CD1-CD2 4.06Å; I693-F704 HydrophobicContact CD1-CG 3.92Å; I693-F704 HydrophobicContact CG1-CD2 4.48Å; I693-F704 HydrophobicContact CG1-CG 4.35Å; I693-F704 HydrophobicContact CG2-CB 3.93Å; I693-F704 HydrophobicContact CG2-CD1 3.43Å; I693-F704 VanDerWaalsContact CG2-CD1 3.43Å; I693-F704 HydrophobicContact CG2-CE1 4.04Å; I693-F704 HydrophobicContact CG2-CG 3.74Å; T700-F704 PolarHBondContact O-N 3.43Å; A701-F704 PolarHBondContact O-N 3.34Å; E702-F704 VanDerWaalsContact C-N 3.33Å; E702-F704 PolarHBondContact O-N 2.87Å; F704-E706 VanDerWaalsContact C-N 3.31Å; F704-E706 PolarHBondContact O-N 3.15Å; F704-T708 HydrophobicContact CE1-CG2 4.45Å; F704-T708 HydrophobicContact CZ-CG2 4.42Å; F704-T708 WeakPolarHBondContact O-CB 3.45Å; F704-T708 PolarHBondContact O-N 3.39Å; F704-T708 PolarHBondContact O-OG1 2.97Å; F704-V713 HydrophobicContact CD1-CG1 3.66Å; F704-V713 HydrophobicContact CE1-CG1 3.55Å
705	L	98.4	Very high	97.8	Very high	73 Å²	73	56.6 Å²	56.6	38%	0.382	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-38	179.1	-70.8	173.7	0	0	0	112.5	A701 E702 V713 H715	A701-L705 WeakPolarHBondContact O-CB 3.43Å; A701-L705 VanDerWaalsContact O-CG 3.27Å; A701-L705 WeakPolarHBondContact O-CG 3.34Å; A701-L705 PolarHBondContact O-N 3.34Å; E702-L705 PolarHBondContact O-N 2.92Å; L705-V713 HydrophobicContact CD2-CB 4.14Å; L705-V713 HydrophobicContact CD2-CG1 3.93Å; L705-V713 WeakPolarHBondContact CD2-O 3.14Å; L705-H715 HydrophobicContact CD1-CB 4.23Å; L705-H715 HydrophobicContact CD2-CB 4.41Å
706	E	97.8	Very high	97.8	Very high	169 Å²	169	58.3 Å²	58.3	79%	0.79	30%	0.295	S	S	*	.	H	α-helix	trans	-77.7	-44.5	-179.1	-174.6	179.7	-176.9	0	0	112.7	E702 F704	E702-E706 WeakPolarHBondContact O-CB 3.12Å; E702-E706 PolarHBondContact O-N 3.41Å; F704-E706 VanDerWaalsContact C-N 3.31Å; F704-E706 PolarHBondContact O-N 3.15Å
707	K	97.9	Very high	97.8	Very high	111 Å²	111	56.5 Å²	56.5	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-87.9	-20.1	-171.5	-66.7	-171.9	-177.1	178.9	0	114.3	D676 I679 I703 D709	D676-K707 IonicContact OD1-NZ 2.7Å; D676-K707 PolarHBondContact OD1-NZ 2.96Å; I679-K707 HydrophobicContact CD1-CB 3.84Å; I679-K707 HydrophobicContact CD1-CD 4.06Å; I679-K707 HydrophobicContact CG2-CB 4.1Å; I703-K707 HydrophobicContact CG2-CD 3.9Å; I703-K707 HydrophobicContact CG2-CG 4.43Å; I703-K707 VanDerWaalsContact O-CB 3.31Å; I703-K707 WeakPolarHBondContact O-CB 3.49Å; I703-K707 WeakPolarHBondContact O-CG 3.48Å; I703-K707 PolarHBondContact O-N 2.71Å; K707-D709 PolarHBondContact O-N 2.83Å
708	T	97.7	Very high	97.8	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	27%	0.274	C	S	.	.			trans	-79.3	113.1	-178.6	-56.3	0	0	0	0	110.4	I682 E691 F704 S710 V713	I682-T708 HydrophobicContact CG2-CG2 3.87Å; E691-T708 HydrophobicContact CB-CG2 3.96Å; E691-T708 HydrophobicContact CG-CG2 3.75Å; F704-T708 HydrophobicContact CE1-CG2 4.45Å; F704-T708 HydrophobicContact CZ-CG2 4.42Å; F704-T708 WeakPolarHBondContact O-CB 3.45Å; F704-T708 PolarHBondContact O-N 3.39Å; F704-T708 PolarHBondContact O-OG1 2.97Å; T708-S710 VanDerWaalsContact C-N 3.32Å; T708-S710 PolarHBondContact O-N 2.8Å; T708-S710 VanDerWaalsContact O-N 3.09Å; T708-V713 HydrophobicContact CG2-CG1 4.12Å; T708-V713 HydrophobicContact CG2-CG2 4.22Å; T708-V713 WeakPolarHBondContact O-CG2 3.34Å
709	D	95.7	Very high	97.8	Very high	72 Å²	72	45.7 Å²	45.7	39%	0.385	24%	0.241	S	C	.	.			trans	-92.5	62.9	-174.4	-160.6	-24.3	0	0	0	112.8	K707 R739 R743	K707-D709 PolarHBondContact O-N 2.83Å; D709-R739 IonicContact OD1-CZ 2.72Å; D709-R739 IonicContact OD1-NE 3.82Å; D709-R739 IonicContact OD1-NH1 3.39Å; D709-R739 IonicContact OD1-NH2 3.27Å; D709-R739 PolarHBondContact OD1-NH2 3.01Å; D709-R739 IonicContact OD2-CZ 3.21Å; D709-R739 IonicContact OD2-NE 3.68Å; D709-R739 IonicContact OD2-NH1 3.23Å; D709-R739 PolarHBondContact OD2-NH1 3.41Å; D709-R739 IonicContact OD2-NH2 2.88Å; D709-R739 PolarHBondContact OD2-NH2 3.26Å; D709-R743 PolarHBondContact O-NH2 2.91Å; D709-R743 IonicContact OD1-CZ 3.33Å; D709-R743 VanDerWaalsContact OD1-CZ 3.24Å; D709-R743 IonicContact OD1-NH1 3.26Å; D709-R743 PolarHBondContact OD1-NH1 3.37Å; D709-R743 IonicContact OD1-NH2 3.3Å; D709-R743 PolarHBondContact OD1-NH2 3.33Å
710	S	95.5	Very high	97.7	Very high	14 Å²	14	44.1 Å²	44.1	10%	0.098	22%	0.224	C	C	.	.	S	Bend	trans	-112.7	164.7	174.8	-71.8	0	0	0	0	111.6	A688 E691 T708 C712	A688-S710 WeakPolarHBondContact CA-OG 3.42Å; E691-S710 WeakPolarHBondContact CG-OG 3.36Å; E691-S710 PolarHBondContact OE1-OG 2.89Å; E691-S710 VanDerWaalsContact OE1-OG 3.07Å; T708-S710 VanDerWaalsContact C-N 3.32Å; T708-S710 PolarHBondContact O-N 2.8Å; T708-S710 VanDerWaalsContact O-N 3.09Å; S710-C712 VanDerWaalsContact C-N 3.3Å
711	S	94.4	Very high	97.6	Very high	22 Å²	22	48 Å²	48	15%	0.154	24%	0.239	C	C	.	.	S	Bend	trans	-69.2	-33.8	-177.7	-55	0	0	0	0	112.3	A688 H689 N736 T737 R743	A688-S711 WeakPolarHBondContact O-CB 3.38Å; A688-S711 PolarHBondContact O-N 3.4Å; A688-S711 PolarHBondContact O-OG 3.34Å; H689-S711 WeakPolarHBondContact O-CB 3.39Å; H689-S711 PolarHBondContact O-N 2.8Å; S711-N736 PolarHBondContact OG-O 3.35Å; S711-T737 WeakPolarHBondContact OG-CA 3.29Å; S711-R743 WeakPolarHBondContact OG-CG 3.34Å; S711-R743 PolarHBondContact OG-NE 3.5Å
712	C	96.9	Very high	97.3	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.6	170.9	-59.9	0	0	0	0	108.8	H689 T690 E691 S710 F714 A722	H689-C712 PolarHBondContact O-N 3.43Å; T690-C712 WeakPolarHBondContact CA-O 3.44Å; T690-C712 HydrophobicContact CG2-CB 3.91Å; E691-C712 PolarHBondContact N-O 3.04Å; S710-C712 VanDerWaalsContact C-N 3.3Å; C712-F714 HydrophobicContact CB-CE1 3.74Å; C712-F714 HydrophobicContact CB-CE2 4.37Å; C712-F714 HydrophobicContact CB-CZ 3.62Å; C712-A722 HydrophobicContact CB-CB 4.04Å
713	V	98.3	Very high	96.8	Very high	32 Å²	32	43.5 Å²	43.5	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.2	174.9	-162.4	0	0	0	0	108.4	E691 F704 L705 T708	E691-V713 CarbonylContact O-C 3.58Å; E691-V713 WeakPolarHBondContact O-CA 3.24Å; F704-V713 HydrophobicContact CD1-CG1 3.66Å; F704-V713 HydrophobicContact CE1-CG1 3.55Å; L705-V713 HydrophobicContact CD2-CB 4.14Å; L705-V713 HydrophobicContact CD2-CG1 3.93Å; L705-V713 WeakPolarHBondContact CD2-O 3.14Å; T708-V713 HydrophobicContact CG2-CG1 4.12Å; T708-V713 HydrophobicContact CG2-CG2 4.22Å; T708-V713 WeakPolarHBondContact O-CG2 3.34Å
714	F	98.6	Very high	96	Very high	25 Å²	25	40.6 Å²	40.6	11%	0.11	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.9	-169	-60.6	-27.1	0	0	0	112.5	T690 E691 S692 I693 C712 V717 S718 F721 A722 F727	T690-F714 HydrophobicContact CG2-CD2 3.78Å; T690-F714 HydrophobicContact CG2-CE2 3.34Å; T690-F714 HydrophobicContact CG2-CZ 3.99Å; E691-F714 PolarHBondContact O-N 2.97Å; S692-F714 WeakPolarHBondContact CA-O 3.14Å; I693-F714 WeakPolarHBondContact CG2-O 3.3Å; I693-F714 PolarHBondContact N-O 2.63Å; C712-F714 HydrophobicContact CB-CE1 3.74Å; C712-F714 HydrophobicContact CB-CE2 4.37Å; C712-F714 HydrophobicContact CB-CZ 3.62Å; F714-V717 HydrophobicContact CB-CB 4.18Å; F714-V717 HydrophobicContact CD2-CG1 4.46Å; F714-S718 WeakPolarHBondContact CD2-O 3.49Å; F714-F721 HydrophobicContact CE2-CB 4.2Å; F714-F721 HydrophobicContact CZ-CB 4.4Å; F714-A722 HydrophobicContact CE2-CB 4.04Å; F714-A722 HydrophobicContact CZ-CB 3.83Å; F714-F727 HydrophobicContact CE1-CE1 4.19Å; F714-F727 AromaticContact CE1-CZ 3.8Å; F714-F727 HydrophobicContact CE1-CZ 3.8Å; F714-F727 AromaticContact CZ-CE1 3.96Å; F714-F727 HydrophobicContact CZ-CE1 3.96Å; F714-F727 AromaticContact CZ-CZ 3.73Å; F714-F727 HydrophobicContact CZ-CZ 3.73Å
715	H	98.7	Very high	95	Very high	63 Å²	63	47.5 Å²	47.5	29%	0.292	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.8	171.5	171.5	-142.1	0	0	0	109.3	I693 T695 L705 V717	I693-H715 HydrophobicContact CG2-CB 4.24Å; I693-H715 WeakPolarHBondContact O-CA 3.35Å; T695-H715 PolarHBondContact O-NE2 3.07Å; L705-H715 HydrophobicContact CD1-CB 4.23Å; L705-H715 HydrophobicContact CD2-CB 4.41Å; H715-V717 VanDerWaalsContact C-N 3.26Å; H715-V717 WeakPolarHBondContact O-CG2 3.24Å; H715-V717 PolarHBondContact O-N 3.1Å
716	N	98.6	Very high	94.3	Very high	36 Å²	36	49 Å²	49	19%	0.193	23%	0.231	C	C	.	.	S	Bend	trans	55.7	35.3	179.9	-70.4	-20	0	0	0	114	I591 I693 V694 T695 E696	I591-N716 HydrophobicContact CD1-CB 4.4Å; I591-N716 WeakPolarHBondContact CD1-O 3.27Å; I693-N716 PolarHBondContact O-N 3.34Å; V694-N716 VanDerWaalsContact CA-OD1 3.28Å; V694-N716 WeakPolarHBondContact CA-OD1 3.48Å; T695-N716 PolarHBondContact N-OD1 3.46Å; T695-N716 PolarHBondContact O-ND2 2.86Å; T695-N716 PolarHBondContact O-OD1 2.84Å; E696-N716 PolarHBondContact OE1-ND2 2.98Å
717	V	98.3	Very high	93.9	Very high	54 Å²	54	45.3 Å²	45.3	33%	0.327	21%	0.213	S	C	.	.	S	Bend	trans	-139.2	141.8	-178.1	175.1	0	0	0	0	110.3	S692 F714 H715 F721	S692-V717 WeakPolarHBondContact CB-O 3.48Å; S692-V717 PolarHBondContact OG-O 3.45Å; F714-V717 HydrophobicContact CB-CB 4.18Å; F714-V717 HydrophobicContact CD2-CG1 4.46Å; H715-V717 VanDerWaalsContact C-N 3.26Å; H715-V717 WeakPolarHBondContact O-CG2 3.24Å; H715-V717 PolarHBondContact O-N 3.1Å; V717-F721 HydrophobicContact CG1-CB 3.95Å; V717-F721 HydrophobicContact CG1-CD2 3.31Å; V717-F721 HydrophobicContact CG1-CE2 3.93Å; V717-F721 HydrophobicContact CG1-CG 3.73Å
718	S	98.6	Very high	93.1	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.035	22%	0.215	C	C	.	.			trans	-60.3	143.3	176.5	170.3	0	0	0	0	112.8	D594 S595 F714 R720 F721	D594-S718 WeakPolarHBondContact OD2-CB 3.33Å; D594-S718 PolarHBondContact OD2-OG 3.37Å; S595-S718 WeakPolarHBondContact CA-OG 3.43Å; S595-S718 PolarHBondContact N-OG 3.12Å; S595-S718 WeakPolarHBondContact OG-CA 3.48Å; S595-S718 PolarHBondContact OG-OG 3.27Å; F714-S718 WeakPolarHBondContact CD2-O 3.49Å; S718-R720 PolarHBondContact O-N 2.88Å; S718-R720 VanDerWaalsContact O-N 3.13Å; S718-R720 WeakPolarHBondContact OG-CB 3.41Å; S718-R720 PolarHBondContact OG-N 3.04Å; S718-F721 PolarHBondContact O-N 2.91Å
719	T	98.2	Very high	92.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-61.2	-22.5	175	59.2	0	0	0	0	112	V577 S595 N604 T690 F721 A722	V577-T719 HydrophobicContact CG2-CG2 3.87Å; S595-T719 WeakPolarHBondContact CB-OG1 3.39Å; S595-T719 PolarHBondContact OG-N 2.94Å; N604-T719 CarbonylContact O-C 3.59Å; N604-T719 WeakPolarHBondContact O-CB 3.44Å; N604-T719 PolarHBondContact O-OG1 2.86Å; T690-T719 HydrophobicContact CG2-CG2 4.11Å; T719-F721 PolarHBondContact O-N 3.12Å; T719-F721 VanDerWaalsContact O-N 3.12Å; T719-A722 PolarHBondContact O-N 3.01Å; T719-A722 VanDerWaalsContact O-N 3.17Å
720	R	96.2	Very high	90.9	Very high	19 Å²	19	41.3 Å²	41.3	7%	0.072	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-62	-19.6	177.8	-65.5	-68.5	-62	119.9	4.8	113.7	D598 N604 S718 A722 R726	D598-R720 HydrophobicContact CB-CG 4.29Å; D598-R720 IonicContact OD2-CZ 2.67Å; D598-R720 VanDerWaalsContact OD2-CZ 3.27Å; D598-R720 IonicContact OD2-NE 3.63Å; D598-R720 PolarHBondContact OD2-NE 2.81Å; D598-R720 IonicContact OD2-NH2 3.09Å; D598-R720 PolarHBondContact OD2-NH2 3.32Å; N604-R720 PolarHBondContact ND2-NH1 3.19Å; N604-R720 PolarHBondContact ND2-O 3.48Å; N604-R720 PolarHBondContact OD1-NH1 3.45Å; S718-R720 PolarHBondContact O-N 2.88Å; S718-R720 VanDerWaalsContact O-N 3.13Å; S718-R720 WeakPolarHBondContact OG-CB 3.41Å; S718-R720 PolarHBondContact OG-N 3.04Å; R720-A722 PolarHBondContact O-N 3.09Å; R720-R726 PolarHBondContact O-NH1 3.08Å
721	F	95.9	Very high	89.8	Confident	101 Å²	101	41.2 Å²	41.2	44%	0.443	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-67.8	-17.4	176.6	-82	-86.3	0	0	0	114.3	F714 V717 S718 T719 D723 R726 F727	F714-F721 HydrophobicContact CE2-CB 4.2Å; F714-F721 HydrophobicContact CZ-CB 4.4Å; V717-F721 HydrophobicContact CG1-CB 3.95Å; V717-F721 HydrophobicContact CG1-CD2 3.31Å; V717-F721 HydrophobicContact CG1-CE2 3.93Å; V717-F721 HydrophobicContact CG1-CG 3.73Å; S718-F721 PolarHBondContact O-N 2.91Å; T719-F721 PolarHBondContact O-N 3.12Å; T719-F721 VanDerWaalsContact O-N 3.12Å; F721-D723 VanDerWaalsContact C-N 3.26Å; F721-D723 PolarHBondContact O-N 3.5Å; F721-R726 HydrophobicContact CD1-CB 4.46Å; F721-F727 VanDerWaalsContact O-CD1 3.31Å; F721-F727 WeakPolarHBondContact O-CD1 3.26Å; F721-F727 WeakPolarHBondContact O-CE1 3.32Å
722	A	93.2	Very high	89.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.			trans	-70.1	80.8	175.7	0	0	0	0	0	111.4	N604 T690 C712 F714 T719 R720 I735	N604-A722 HydrophobicContact CB-CB 4.26Å; N604-A722 PolarHBondContact ND2-O 3.44Å; T690-A722 HydrophobicContact CG2-CB 3.75Å; T690-A722 WeakPolarHBondContact OG1-CB 3.37Å; C712-A722 HydrophobicContact CB-CB 4.04Å; F714-A722 HydrophobicContact CE2-CB 4.04Å; F714-A722 HydrophobicContact CZ-CB 3.83Å; T719-A722 PolarHBondContact O-N 3.01Å; T719-A722 VanDerWaalsContact O-N 3.17Å; R720-A722 PolarHBondContact O-N 3.09Å; A722-I735 VanDerWaalsContact O-CD1 3.27Å; A722-I735 WeakPolarHBondContact O-CD1 3.35Å
723	D	87.4	Confident	88.5	Confident	41 Å²	41	41 Å²	41	22%	0.219	21%	0.207	C	C	.	.	S	Bend	trans	-154.9	138.9	-176.3	168.8	-85.3	0	0	0	108.6	F721 Y725 R726 F727	F721-D723 VanDerWaalsContact C-N 3.26Å; F721-D723 PolarHBondContact O-N 3.5Å; D723-Y725 VanDerWaalsContact C-N 3.34Å; D723-Y725 PolarHBondContact O-N 3.1Å; D723-Y725 WeakPolarHBondContact OD1-CA 3.49Å; D723-Y725 WeakPolarHBondContact OD1-CB 3.43Å; D723-Y725 PolarHBondContact OD1-N 3.1Å; D723-R726 HydrophobicContact CB-CB 4.11Å; D723-R726 HydrophobicContact CB-CG 4.04Å; D723-R726 PolarHBondContact O-N 3.37Å; D723-R726 PolarHBondContact OD1-N 2.87Å; D723-F727 WeakPolarHBondContact O-CB 3.45Å; D723-F727 PolarHBondContact O-N 3.35Å
724	G	81.1	Confident	87.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-38.2	-173.4	0	0	0	0	0	113.9	F727 G728 L729 E732	G724-F727 PolarHBondContact O-N 3.27Å; G724-G728 PolarHBondContact O-N 3.49Å; G724-L729 VanDerWaalsContact O-CB 3.29Å; G724-L729 WeakPolarHBondContact O-CB 3.33Å; G724-L729 PolarHBondContact O-N 3.08Å; G724-E732 PolarHBondContact N-OE2 3.14Å
725	Y	77.6	Confident	87.3	Confident	146 Å²	146	39 Å²	39	57%	0.573	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-45.3	175.8	177.7	-97.7	0	0	0	110.5	D723 F727 G728	D723-Y725 VanDerWaalsContact C-N 3.34Å; D723-Y725 PolarHBondContact O-N 3.1Å; D723-Y725 WeakPolarHBondContact OD1-CA 3.49Å; D723-Y725 WeakPolarHBondContact OD1-CB 3.43Å; D723-Y725 PolarHBondContact OD1-N 3.1Å; Y725-F727 PolarHBondContact O-N 3.32Å; Y725-G728 PolarHBondContact O-N 3.12Å
726	R	84.7	Confident	86.9	Confident	104 Å²	104	36.5 Å²	36.5	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.3	177.5	-65.1	-174.8	178.8	117.9	-3.7	113.2	R720 F721 D723 G728	R720-R726 PolarHBondContact O-NH1 3.08Å; F721-R726 HydrophobicContact CD1-CB 4.46Å; D723-R726 HydrophobicContact CB-CB 4.11Å; D723-R726 HydrophobicContact CB-CG 4.04Å; D723-R726 PolarHBondContact O-N 3.37Å; D723-R726 PolarHBondContact OD1-N 2.87Å; R726-G728 VanDerWaalsContact C-N 3.27Å
727	F	88	Confident	86.6	Confident	92 Å²	92	36.2 Å²	36.2	40%	0.404	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.2	174.4	-80.5	16.5	0	0	0	113.6	F714 F721 D723 G724 Y725 L729 P745	F714-F727 HydrophobicContact CE1-CE1 4.19Å; F714-F727 AromaticContact CE1-CZ 3.8Å; F714-F727 HydrophobicContact CE1-CZ 3.8Å; F714-F727 AromaticContact CZ-CE1 3.96Å; F714-F727 HydrophobicContact CZ-CE1 3.96Å; F714-F727 AromaticContact CZ-CZ 3.73Å; F714-F727 HydrophobicContact CZ-CZ 3.73Å; F721-F727 VanDerWaalsContact O-CD1 3.31Å; F721-F727 WeakPolarHBondContact O-CD1 3.26Å; F721-F727 WeakPolarHBondContact O-CE1 3.32Å; D723-F727 WeakPolarHBondContact O-CB 3.45Å; D723-F727 PolarHBondContact O-N 3.35Å; G724-F727 PolarHBondContact O-N 3.27Å; Y725-F727 PolarHBondContact O-N 3.32Å; F727-L729 HydrophobicContact CB-CG 4.21Å; F727-P745 HydrophobicContact CD2-CB 4.43Å; F727-P745 HydrophobicContact CD2-CG 3.78Å; F727-P745 HydrophobicContact CE2-CG 3.88Å; F727-P745 HydrophobicContact CG-CG 4.43Å
728	G	81	Confident	86.1	Confident	51 Å²	51	34.9 Å²	34.9	53%	0.526	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	26.4	-179.4	0	0	0	0	0	113.8	G724 Y725 R726 G730	G724-G728 PolarHBondContact O-N 3.49Å; Y725-G728 PolarHBondContact O-N 3.12Å; R726-G728 VanDerWaalsContact C-N 3.27Å; G728-G730 VanDerWaalsContact C-N 3.31Å
729	L	76.9	Confident	85.7	Confident	45 Å²	45	42.6 Å²	42.6	24%	0.236	21%	0.212	C	C	.	.			trans	-87	-2.3	173	-52.3	179.6	0	0	0	112.7	G724 F727 A731 P745	G724-L729 VanDerWaalsContact O-CB 3.29Å; G724-L729 WeakPolarHBondContact O-CB 3.33Å; G724-L729 PolarHBondContact O-N 3.08Å; F727-L729 HydrophobicContact CB-CG 4.21Å; L729-A731 PolarHBondContact O-N 2.99Å; L729-P745 HydrophobicContact CD1-CB 4.06Å; L729-P745 WeakPolarHBondContact CD1-O 3.47Å
730	G	70.1	Confident	85.3	Confident	11 Å²	11	49.2 Å²	49.2	11%	0.113	25%	0.246	C	C	.	.	S	Bend	trans	75.1	-53.9	-177	0	0	0	0	0	113.1	G728	G728-G730 VanDerWaalsContact C-N 3.31Å
731	A	72.5	Confident	85.1	Confident	12 Å²	12	53.5 Å²	53.5	10%	0.099	27%	0.266	C	S	.	.			trans	-145.1	162.4	175.1	0	0	0	0	0	111.3	I423 L476 L729	I423-A731 HydrophobicContact CD1-CB 3.8Å; I423-A731 HydrophobicContact CG1-CB 4.12Å; L476-A731 HydrophobicContact CD1-CB 4.06Å; L476-A731 HydrophobicContact CD2-CB 4.16Å; L476-A731 HydrophobicContact CG-CB 4.32Å; L729-A731 PolarHBondContact O-N 2.99Å
732	E	82.1	Confident	84.9	Confident	23 Å²	23	49.5 Å²	49.5	11%	0.107	25%	0.252	C	S	.	.			trans	-130.9	145.2	174.1	50.7	158.1	-113.7	0	0	111.7	R545 G724 V746	R545-E732 IonicContact CZ-OE1 2.88Å; R545-E732 IonicContact NH1-OE1 3.75Å; R545-E732 PolarHBondContact NH1-OE1 2.86Å; R545-E732 IonicContact NH2-OE1 2.85Å; G724-E732 PolarHBondContact N-OE2 3.14Å; E732-V746 VanDerWaalsContact CA-O 3.28Å; E732-V746 WeakPolarHBondContact CA-O 3.32Å
733	V	83.4	Confident	84.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	27%	0.266	C	S	.	.	S	Bend	trans	-82.9	-22.2	166.7	-67	0	0	0	0	112.2	V473 L476 I543 R545 V746 L751	V473-V733 HydrophobicContact CG1-CG1 4.27Å; L476-V733 HydrophobicContact CB-CG1 4.46Å; L476-V733 HydrophobicContact CD1-CG1 3.57Å; I543-V733 HydrophobicContact CD1-CB 4.27Å; I543-V733 HydrophobicContact CD1-CG2 4.05Å; I543-V733 HydrophobicContact CG2-CB 4.38Å; I543-V733 HydrophobicContact CG2-CG2 4.45Å; R545-V733 WeakPolarHBondContact CD-O 3.44Å; R545-V733 WeakPolarHBondContact CG-O 3.47Å; R545-V733 PolarHBondContact NE-O 3.39Å; R545-V733 PolarHBondContact NH1-O 2.7Å; V733-V746 HydrophobicContact CG2-CB 3.66Å; V733-V746 HydrophobicContact CG2-CG1 3.51Å; V733-V746 WeakPolarHBondContact CG2-O 3.28Å; V733-V746 PolarHBondContact N-O 2.78Å; V733-L751 HydrophobicContact CG1-CD1 3.8Å; V733-L751 HydrophobicContact CG1-CD2 4.08Å; V733-L751 HydrophobicContact CG1-CG 4.33Å; V733-L751 HydrophobicContact CG2-CD2 4Å
734	G	83.7	Confident	85.1	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	163.9	-161.5	0	0	0	0	0	111.4	V746	G734-V746 WeakPolarHBondContact O-CB 3.42Å; G734-V746 PolarHBondContact O-N 2.86Å
735	I	86.9	Confident	85.5	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133	157.6	-58.7	177.8	0	0	0	106.8	H570 H689 A722 G744 P745	H570-I735 PolarHBondContact CD2-O 3.03Å; H570-I735 VanDerWaalsContact CD2-O 3.25Å; H570-I735 PolarHBondContact N-O 2.97Å; H689-I735 WeakPolarHBondContact NE2-CG2 3.43Å; A722-I735 VanDerWaalsContact O-CD1 3.27Å; A722-I735 WeakPolarHBondContact O-CD1 3.35Å; I735-G744 WeakPolarHBondContact CA-O 3.31Å; I735-P745 HydrophobicContact CG1-CG 4.39Å
736	N	91.3	Very high	86	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	177.1	-169.8	35.1	0	0	0	110.9	M568 G569 S711 G738 A742 G744 V746	M568-N736 HydrophobicContact CG-CB 3.84Å; G569-N736 PolarHBondContact N-OD1 3.36Å; S711-N736 PolarHBondContact OG-O 3.35Å; N736-G738 PolarHBondContact OD1-N 2.96Å; N736-A742 PolarHBondContact ND2-O 3Å; N736-G744 PolarHBondContact N-O 2.92Å; N736-G744 PolarHBondContact O-N 2.83Å; N736-V746 HydrophobicContact CB-CG2 3.77Å
737	T	91	Very high	86.1	Confident	30 Å²	30	40.6 Å²	40.6	18%	0.184	22%	0.218	C	C	.	.			trans	-92.8	-5.8	171.3	55.4	0	0	0	0	113.4	H570 H689 S711	H570-T737 HydrophobicContact CB-CG2 3.72Å; H689-T737 HydrophobicContact CB-CG2 3.93Å; S711-T737 WeakPolarHBondContact OG-CA 3.29Å
738	G	88.8	Confident	86.1	Confident	26 Å²	26	36.4 Å²	36.4	27%	0.268	20%	0.199	S	C	.	.			trans	-63.3	149.1	172.2	0	0	0	0	0	112.6	N736 R743	N736-G738 PolarHBondContact OD1-N 2.96Å; G738-R743 WeakPolarHBondContact O-CB 3.48Å; G738-R743 WeakPolarHBondContact O-CG 3.36Å
739	R	89.5	Confident	86.4	Confident	168 Å²	168	38.8 Å²	38.8	63%	0.634	20%	0.197	S	C	*	.	S	Bend	trans	-92.5	-3.4	-178.4	-60.8	-169.2	178.8	-162.5	-0.8	114.7	D709	D709-R739 IonicContact OD1-CZ 2.72Å; D709-R739 IonicContact OD1-NE 3.82Å; D709-R739 IonicContact OD1-NH1 3.39Å; D709-R739 IonicContact OD1-NH2 3.27Å; D709-R739 PolarHBondContact OD1-NH2 3.01Å; D709-R739 IonicContact OD2-CZ 3.21Å; D709-R739 IonicContact OD2-NE 3.68Å; D709-R739 IonicContact OD2-NH1 3.23Å; D709-R739 PolarHBondContact OD2-NH1 3.41Å; D709-R739 IonicContact OD2-NH2 2.88Å; D709-R739 PolarHBondContact OD2-NH2 3.26Å
740	I	90.7	Very high	87.1	Confident	138 Å²	138	37 Å²	37	71%	0.708	19%	0.189	S	C	*	.	S	Bend	trans	-109.9	146.9	-178.3	60.8	172.6	0	0	0	110	A742	I740-A742 PolarHBondContact O-N 3.43Å
741	H	91.5	Very high	88.2	Confident	110 Å²	110	36.4 Å²	36.4	51%	0.509	18%	0.184	S	C	.	.	S	Bend	trans	69	-72.5	177	-172.2	80.9	0	0	0	115.6	M568 G750 L752	M568-H741 WeakPolarHBondContact CE-CD2 3.4Å; H741-G750 PolarHBondContact CD2-O 3.43Å; H741-G750 PolarHBondContact NE2-O 3.24Å; H741-L752 PolarHBondContact CE1-O 3.36Å
742	A	91.1	Very high	89.4	Confident	16 Å²	16	36.6 Å²	36.6	13%	0.132	18%	0.183	C	C	.	.			trans	-139	138.1	-179.6	0	0	0	0	0	109.6	M568 N736 I740 V746	M568-A742 HydrophobicContact CE-CB 4.4Å; N736-A742 PolarHBondContact ND2-O 3Å; I740-A742 PolarHBondContact O-N 3.43Å; A742-V746 HydrophobicContact CB-CG1 4.29Å; A742-V746 HydrophobicContact CB-CG2 4.34Å
743	R	92.2	Very high	90	Very high	83 Å²	83	38.4 Å²	38.4	31%	0.313	20%	0.196	S	C	.	.			trans	-135.1	139	-177.9	-169.5	174.4	-171.5	-175.8	0.2	109.8	D709 S711 G738	D709-R743 PolarHBondContact O-NH2 2.91Å; D709-R743 IonicContact OD1-CZ 3.33Å; D709-R743 VanDerWaalsContact OD1-CZ 3.24Å; D709-R743 IonicContact OD1-NH1 3.26Å; D709-R743 PolarHBondContact OD1-NH1 3.37Å; D709-R743 IonicContact OD1-NH2 3.3Å; D709-R743 PolarHBondContact OD1-NH2 3.33Å; S711-R743 WeakPolarHBondContact OG-CG 3.34Å; S711-R743 PolarHBondContact OG-NE 3.5Å; G738-R743 WeakPolarHBondContact O-CB 3.48Å; G738-R743 WeakPolarHBondContact O-CG 3.36Å
744	G	92.5	Very high	90.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.1	-158.6	-170.5	0	0	0	0	0	112.1	I735 N736 V746	I735-G744 WeakPolarHBondContact CA-O 3.31Å; N736-G744 PolarHBondContact N-O 2.92Å; N736-G744 PolarHBondContact O-N 2.83Å; G744-V746 WeakPolarHBondContact O-CG2 3.37Å; G744-V746 PolarHBondContact O-N 2.95Å
745	P	89.9	Confident	91.3	Very high	14 Å²	14	46.6 Å²	46.6	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	124.2	173.8	-25.7	35.8	0	0	0	111.6	F727 L729 I735	F727-P745 HydrophobicContact CD2-CB 4.43Å; F727-P745 HydrophobicContact CD2-CG 3.78Å; F727-P745 HydrophobicContact CE2-CG 3.88Å; F727-P745 HydrophobicContact CG-CG 4.43Å; L729-P745 HydrophobicContact CD1-CB 4.06Å; L729-P745 WeakPolarHBondContact CD1-O 3.47Å; I735-P745 HydrophobicContact CG1-CG 4.39Å
746	V	88.3	Confident	91.8	Very high	4 Å²	4	53 Å²	53	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	98.5	-173.6	-174.3	0	0	0	0	108.6	M568 E732 V733 G734 N736 A742 G744	M568-V746 HydrophobicContact SD-CB 4.4Å; M568-V746 HydrophobicContact SD-CG1 3.73Å; M568-V746 HydrophobicContact SD-CG2 3.91Å; E732-V746 VanDerWaalsContact CA-O 3.28Å; E732-V746 WeakPolarHBondContact CA-O 3.32Å; V733-V746 HydrophobicContact CG2-CB 3.66Å; V733-V746 HydrophobicContact CG2-CG1 3.51Å; V733-V746 WeakPolarHBondContact CG2-O 3.28Å; V733-V746 PolarHBondContact N-O 2.78Å; G734-V746 WeakPolarHBondContact O-CB 3.42Å; G734-V746 PolarHBondContact O-N 2.86Å; N736-V746 HydrophobicContact CB-CG2 3.77Å; A742-V746 HydrophobicContact CB-CG1 4.29Å; A742-V746 HydrophobicContact CB-CG2 4.34Å; G744-V746 WeakPolarHBondContact O-CG2 3.37Å; G744-V746 PolarHBondContact O-N 2.95Å
747	G	85.8	Confident	92.1	Very high	3 Å²	3	55 Å²	55	3%	0.031	27%	0.268	C	S	.	.			trans	-86.9	-156.2	171.5	0	0	0	0	0	112.9	E749 G750	G747-E749 VanDerWaalsContact C-N 3.32Å; G747-E749 PolarHBondContact O-N 2.97Å; G747-G750 PolarHBondContact O-N 3.29Å
748	V	88.4	Confident	92.4	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-55.6	-43.8	179.7	175.2	0	0	0	0	112.2	H433 L476 T480 G750 L751 L752	H433-V748 HydrophobicContact CB-CG1 3.65Å; H433-V748 WeakPolarHBondContact ND1-CG1 3.5Å; L476-V748 HydrophobicContact CD2-CG2 3.77Å; T480-V748 HydrophobicContact CG2-CB 4.16Å; T480-V748 HydrophobicContact CG2-CG1 3.28Å; V748-G750 PolarHBondContact O-N 3.36Å; V748-L751 PolarHBondContact O-N 3.37Å; V748-L752 HydrophobicContact CG1-CD1 4.47Å
749	E	87.4	Confident	92.8	Very high	100 Å²	100	61.7 Å²	61.7	47%	0.467	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.2	-32.6	-178.1	-68.9	78.6	-174.7	0	0	112.3	R430 G747 L751 L752	R430-E749 IonicContact NH2-OE1 2.78Å; G747-E749 VanDerWaalsContact C-N 3.32Å; G747-E749 PolarHBondContact O-N 2.97Å; E749-L751 PolarHBondContact O-N 3.07Å; E749-L752 PolarHBondContact O-N 3.22Å
750	G	91.7	Very high	93	Very high	7 Å²	7	56.1 Å²	56.1	7%	0.072	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-73.3	-9.8	177.3	0	0	0	0	0	114.2	H741 G747 V748	H741-G750 PolarHBondContact CD2-O 3.43Å; H741-G750 PolarHBondContact NE2-O 3.24Å; G747-G750 PolarHBondContact O-N 3.29Å; V748-G750 PolarHBondContact O-N 3.36Å
751	L	94.6	Very high	93.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-101.1	10.5	174.3	-55.3	-177.4	0	0	0	112.7	I456 L459 L476 T480 N482 I543 V733 V748 E749	I456-L751 WeakPolarHBondContact CG1-O 3.25Å; L459-L751 HydrophobicContact CD1-CD1 4.19Å; L459-L751 HydrophobicContact CD1-CD2 3.93Å; L459-L751 HydrophobicContact CD1-CG 4.46Å; L476-L751 HydrophobicContact CB-CD1 3.83Å; T480-L751 HydrophobicContact CG2-CB 4.05Å; N482-L751 PolarHBondContact ND2-O 3.42Å; I543-L751 HydrophobicContact CD1-CD2 3.82Å; V733-L751 HydrophobicContact CG1-CD1 3.8Å; V733-L751 HydrophobicContact CG1-CD2 4.08Å; V733-L751 HydrophobicContact CG1-CG 4.33Å; V733-L751 HydrophobicContact CG2-CD2 4Å; V748-L751 PolarHBondContact O-N 3.37Å; E749-L751 PolarHBondContact O-N 3.07Å
752	L	95.7	Very high	93.4	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.7	178.6	-62.8	170	0	0	0	110.4	H433 V434 A454 T480 H741 V748 E749	H433-L752 HydrophobicContact CB-CD1 3.94Å; H433-L752 VanDerWaalsContact O-CD1 3.26Å; H433-L752 WeakPolarHBondContact O-CD1 3.22Å; V434-L752 HydrophobicContact CG2-CD2 3.95Å; A454-L752 CarbonylContact O-C 3.56Å; A454-L752 WeakPolarHBondContact O-CA 3.47Å; T480-L752 HydrophobicContact CG2-CD2 4.16Å; T480-L752 HydrophobicContact CG2-CG 4.2Å; H741-L752 PolarHBondContact CE1-O 3.36Å; V748-L752 HydrophobicContact CG1-CD1 4.47Å; E749-L752 PolarHBondContact O-N 3.22Å
753	T	96.5	Very high	93.6	Very high	62 Å²	62	54.8 Å²	54.8	38%	0.38	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-169.1	166.3	-170.3	0	0	0	0	109.6	T453 A454 P455	T453-T753 CarbonylContact C-O 3.52Å; T453-T753 WeakPolarHBondContact CA-O 3.29Å; A454-T753 HydrophobicContact CB-CG2 4.21Å; A454-T753 PolarHBondContact N-O 2.85Å; A454-T753 PolarHBondContact O-N 2.71Å; P455-T753 WeakPolarHBondContact O-CG2 3.25Å
754	T	97	Very high	93.8	Very high	58 Å²	58	54.1 Å²	54.1	36%	0.356	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.7	179.5	69.2	0	0	0	0	112.2	L438 K451 I452	L438-T754 HydrophobicContact CD1-CG2 3.53Å; K451-T754 VanDerWaalsContact CE-CB 3.48Å; K451-T754 WeakPolarHBondContact CE-OG1 3.36Å; I452-T754 CarbonylContact O-C 3.58Å; I452-T754 WeakPolarHBondContact O-CA 3.4Å; I452-T754 WeakPolarHBondContact O-CB 3.29Å
755	K	96.1	Very high	93.9	Very high	124 Å²	124	59.5 Å²	59.5	54%	0.539	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.9	177.1	-178.7	176.1	178.8	177.3	0	110.1	I452 A454 I757	I452-K755 HydrophobicContact CG1-CB 4.06Å; I452-K755 WeakPolarHBondContact CG1-O 3.06Å; I452-K755 PolarHBondContact N-O 3.42Å; I452-K755 PolarHBondContact O-N 3.47Å; A454-K755 HydrophobicContact CB-CB 4.13Å; K755-I757 HydrophobicContact CG-CG1 4.42Å
756	W	97.8	Very high	94.2	Very high	142 Å²	142	63.2 Å²	63.2	54%	0.538	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.7	172.7	-63.3	93.1	0	0	0	110.1	L449 K450 K451	L449-W756 HydrophobicContact CD1-CB 4.32Å; L449-W756 HydrophobicContact CD1-CE3 3.85Å; L449-W756 HydrophobicContact CD2-CE3 3.68Å; L449-W756 HydrophobicContact CD2-CZ3 3.64Å; L449-W756 HydrophobicContact CG-CE3 3.73Å; L449-W756 HydrophobicContact CG-CZ3 4.04Å; K450-W756 CarbonylContact O-C 3.59Å; K450-W756 WeakPolarHBondContact O-CA 3.27Å; K451-W756 HydrophobicContact CB-CD2 4.22Å; K451-W756 HydrophobicContact CB-CE3 3.8Å; K451-W756 HydrophobicContact CB-CH2 4.11Å; K451-W756 HydrophobicContact CB-CZ2 4.45Å; K451-W756 HydrophobicContact CB-CZ3 3.75Å; K451-W756 HydrophobicContact CD-CH2 3.9Å; K451-W756 HydrophobicContact CD-CZ2 3.72Å; K451-W756 HydrophobicContact CD-CZ3 4.41Å; K451-W756 HydrophobicContact CG-CD2 4.17Å; K451-W756 HydrophobicContact CG-CE3 4.25Å; K451-W756 HydrophobicContact CG-CH2 4.26Å; K451-W756 HydrophobicContact CG-CZ2 4.13Å; K451-W756 HydrophobicContact CG-CZ3 4.31Å
757	I	97	Very high	94.5	Very high	51 Å²	51	64.2 Å²	64.2	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.1	176.5	-57.8	-176.4	0	0	0	108.1	L449 K450 I452 K755 H759	L449-I757 CarbonylContact C-O 3.54Å; K450-I757 PolarHBondContact N-O 2.96Å; K450-I757 PolarHBondContact O-N 3.28Å; I452-I757 HydrophobicContact CD1-CD1 3.49Å; I452-I757 VanDerWaalsContact CD1-CD1 3.49Å; I452-I757 HydrophobicContact CD1-CG1 4.28Å; I452-I757 HydrophobicContact CG1-CD1 4.17Å; I452-I757 HydrophobicContact CG1-CG1 4.49Å; K755-I757 HydrophobicContact CG-CG1 4.42Å; I757-H759 WeakPolarHBondContact CG2-NE2 3.21Å
758	L	97.5	Very high	95	Very high	94 Å²	94	65.3 Å²	65.3	49%	0.492	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	176.4	-175.6	61.4	0	0	0	109.3	L443 L447 L449	L443-L758 HydrophobicContact CD1-CD1 3.8Å; L447-L758 HydrophobicContact CD1-CD1 3.71Å; L447-L758 HydrophobicContact CD1-CD2 4.12Å; L447-L758 HydrophobicContact CD1-CG 3.88Å; L447-L758 HydrophobicContact CG-CD1 3.92Å; L449-L758 HydrophobicContact CB-CD1 4.01Å; L449-L758 HydrophobicContact CD1-CB 4.14Å; L449-L758 HydrophobicContact CD1-CD1 4.16Å
759	H	96.6	Very high	95.2	Very high	102 Å²	102	69.9 Å²	69.9	47%	0.472	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.8	171.8	-67.5	-85.1	0	0	0	109	L447 I448 I757	L447-H759 CarbonylContact C-O 3.6Å; L447-H759 WeakPolarHBondContact CA-O 3.3Å; I448-H759 PolarHBondContact N-O 3.26Å; I448-H759 PolarHBondContact O-N 2.81Å; I757-H759 WeakPolarHBondContact CG2-NE2 3.21Å
760	G	95.6	Very high	95.5	Very high	50 Å²	50	69.1 Å²	69.1	52%	0.515	41%	0.407	S	S	.	.			trans	-124.7	-178.2	175.5	0	0	0	0	0	112.2	N446 Q763	N446-G760 WeakPolarHBondContact O-CA 3.44Å; G760-Q763 VanDerWaalsContact CA-OE1 3.26Å
761	D	95.6	Very high	95.4	Very high	123 Å²	123	71 Å²	71	66%	0.658	43%	0.426	S	S	*	.	S	Bend	trans	-131.6	43.5	179.1	-168.7	30.6	0	0	0	109.7	N446	N446-D761 HydrophobicContact CB-CB 4.11Å
762	G	94.6	Very high	95.3	Very high	70 Å²	70	78.2 Å²	78.2	72%	0.722	46%	0.457	S	S	*	.	S	Bend	trans	83.4	15.5	179.2	0	0	0	0	0	116.1	C764	G762-C764 PolarHBondContact O-N 2.81Å
763	Q	94.7	Very high	95.2	Very high	44 Å²	44	80 Å²	80	21%	0.206	47%	0.467	C	S	.	.			trans	-65.4	133.4	176.1	-56	87.3	-12.3	0	0	111.3	D445 N446 G760 F768 L773	D445-Q763 PolarHBondContact O-NE2 3Å; D445-Q763 VanDerWaalsContact O-NE2 3.1Å; N446-Q763 PolarHBondContact O-NE2 3.1Å; N446-Q763 VanDerWaalsContact O-NE2 3.1Å; G760-Q763 VanDerWaalsContact CA-OE1 3.26Å; Q763-F768 HydrophobicContact CB-CE2 4.1Å; Q763-F768 HydrophobicContact CB-CZ 4.46Å; Q763-L773 HydrophobicContact CB-CD1 4.04Å; Q763-L773 HydrophobicContact CG-CD1 3.66Å
764	C	95.5	Very high	95	Very high	69 Å²	69	82.8 Å²	82.8	47%	0.466	48%	0.48	S	S	.	.			trans	-108.7	151.2	175.1	-71.9	0	0	0	0	110.8	G762 T766 D767 F768	G762-C764 PolarHBondContact O-N 2.81Å; C764-T766 WeakPolarHBondContact CB-OG1 3.39Å; C764-T766 PolarHBondContact O-N 2.71Å; C764-T766 VanDerWaalsContact O-N 3.1Å; C764-D767 PolarHBondContact N-OD2 2.73Å; C764-D767 WeakPolarHBondContact O-CB 3.4Å; C764-D767 PolarHBondContact O-N 2.95Å; C764-F768 WeakPolarHBondContact O-CD2 3.46Å
765	V	95.7	Very high	95	Very high	113 Å²	113	85.3 Å²	85.3	69%	0.685	48%	0.483	S	S	*	.	H	α-helix	trans	-55.9	-32	176.5	178.3	0	0	0	0	111.7	D767 F768 S769	V765-D767 VanDerWaalsContact C-N 3.3Å; V765-D767 PolarHBondContact O-N 2.83Å; V765-F768 WeakPolarHBondContact O-CB 3.32Å; V765-F768 PolarHBondContact O-N 3.21Å; V765-F768 VanDerWaalsContact O-N 3.12Å; V765-S769 PolarHBondContact O-N 2.98Å
766	T	96.2	Very high	94.9	Very high	93 Å²	93	83.4 Å²	83.4	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-62.9	-30.4	176.1	48.2	0	0	0	0	114	C764 F768 S769 S770	C764-T766 WeakPolarHBondContact CB-OG1 3.39Å; C764-T766 PolarHBondContact O-N 2.71Å; C764-T766 VanDerWaalsContact O-N 3.1Å; T766-F768 PolarHBondContact O-N 2.75Å; T766-S769 WeakPolarHBondContact CA-OG 3.24Å; T766-S769 PolarHBondContact O-N 3.18Å; T766-S769 PolarHBondContact O-OG 3.35Å; T766-S770 VanDerWaalsContact O-CB 3.27Å; T766-S770 WeakPolarHBondContact O-CB 3.48Å; T766-S770 PolarHBondContact O-N 3.22Å; T766-S770 PolarHBondContact O-OG 3.44Å
767	D	94.7	Very high	94.8	Very high	24 Å²	24	82.1 Å²	82.1	13%	0.128	48%	0.478	C	S	.	.	H	α-helix	trans	-66.2	-32.2	175.3	-63.8	-62.8	0	0	0	110.9	C764 V765 S770 K772 L773	C764-D767 PolarHBondContact N-OD2 2.73Å; C764-D767 WeakPolarHBondContact O-CB 3.4Å; C764-D767 PolarHBondContact O-N 2.95Å; V765-D767 VanDerWaalsContact C-N 3.3Å; V765-D767 PolarHBondContact O-N 2.83Å; D767-S770 PolarHBondContact O-OG 2.92Å; D767-K772 HydrophobicContact CB-CB 4.48Å; D767-K772 WeakPolarHBondContact O-CA 3.2Å; D767-K772 WeakPolarHBondContact O-CB 3.45Å; D767-K772 PolarHBondContact O-N 2.93Å; D767-K772 WeakPolarHBondContact OD1-CD 3.47Å; D767-K772 IonicContact OD1-NZ 2.69Å; D767-K772 PolarHBondContact OD1-NZ 3.05Å; D767-L773 HydrophobicContact CB-CB 4.23Å; D767-L773 HydrophobicContact CB-CD1 3.74Å; D767-L773 HydrophobicContact CB-CG 3.93Å; D767-L773 PolarHBondContact O-N 3.11Å
768	F	95.4	Very high	94.8	Very high	27 Å²	27	84.6 Å²	84.6	12%	0.118	49%	0.489	C	S	.	.	H	α-helix	trans	-77.9	-44.2	175.8	-61.6	-89.1	0	0	0	111.9	A444 L447 Q763 C764 V765 T766 S770 G771 L773 Y775	A444-F768 HydrophobicContact CB-CE1 3.78Å; A444-F768 HydrophobicContact CB-CZ 3.91Å; L447-F768 HydrophobicContact CD2-CE2 4.32Å; L447-F768 HydrophobicContact CD2-CZ 3.79Å; Q763-F768 HydrophobicContact CB-CE2 4.1Å; Q763-F768 HydrophobicContact CB-CZ 4.46Å; C764-F768 WeakPolarHBondContact O-CD2 3.46Å; V765-F768 WeakPolarHBondContact O-CB 3.32Å; V765-F768 PolarHBondContact O-N 3.21Å; V765-F768 VanDerWaalsContact O-N 3.12Å; T766-F768 PolarHBondContact O-N 2.75Å; F768-S770 VanDerWaalsContact C-N 3.26Å; F768-S770 PolarHBondContact O-N 3.38Å; F768-G771 PolarHBondContact O-N 2.72Å; F768-G771 VanDerWaalsContact O-N 3.11Å; F768-L773 WeakPolarHBondContact CA-O 3.48Å; F768-L773 HydrophobicContact CD1-CB 3.98Å; F768-L773 HydrophobicContact CE1-CB 3.84Å; F768-L773 HydrophobicContact CE2-CD1 4.29Å; F768-L773 HydrophobicContact CG-CB 4.38Å; F768-L773 HydrophobicContact CZ-CB 4.13Å; F768-L773 HydrophobicContact CZ-CD1 4.17Å; F768-Y775 HydrophobicContact CB-CE2 3.83Å; F768-Y775 AromaticContact CD1-CD1 3.85Å; F768-Y775 HydrophobicContact CD1-CD1 3.85Å; F768-Y775 AromaticContact CD1-CD2 3.85Å; F768-Y775 HydrophobicContact CD1-CD2 3.85Å; F768-Y775 AromaticContact CD1-CE1 3.65Å; F768-Y775 HydrophobicContact CD1-CE1 3.65Å; F768-Y775 AromaticContact CD1-CE2 3.65Å; F768-Y775 HydrophobicContact CD1-CE2 3.65Å; F768-Y775 AromaticContact CD1-CG 3.95Å; F768-Y775 HydrophobicContact CD1-CG 3.95Å; F768-Y775 AromaticContact CD1-CZ 3.55Å; F768-Y775 HydrophobicContact CD2-CE1 4.43Å; F768-Y775 AromaticContact CE1-CD1 3.69Å; F768-Y775 HydrophobicContact CE1-CD1 3.69Å; F768-Y775 HydrophobicContact CE1-CD2 4.49Å; F768-Y775 AromaticContact CE1-CE1 3.62Å; F768-Y775 HydrophobicContact CE1-CE1 3.62Å; F768-Y775 HydrophobicContact CE1-CE2 4.44Å; F768-Y775 HydrophobicContact CE1-CG 4.14Å; F768-Y775 HydrophobicContact CE2-CE1 4.42Å; F768-Y775 HydrophobicContact CG-CD2 4.48Å; F768-Y775 HydrophobicContact CG-CE1 4.08Å; F768-Y775 AromaticContact CG-CE2 3.84Å; F768-Y775 HydrophobicContact CG-CE2 3.84Å; F768-Y775 AromaticContact CG-CZ 3.61Å; F768-Y775 HydrophobicContact CZ-CD1 4.41Å; F768-Y775 HydrophobicContact CZ-CE1 4.03Å
769	S	94.2	Very high	94.8	Very high	99 Å²	99	84.9 Å²	84.9	69%	0.692	50%	0.499	S	S	*	.	H	α-helix	trans	-67.9	-26.8	179.4	66.3	0	0	0	0	113.1	V765 T766 G771	V765-S769 PolarHBondContact O-N 2.98Å; T766-S769 WeakPolarHBondContact CA-OG 3.24Å; T766-S769 PolarHBondContact O-N 3.18Å; T766-S769 PolarHBondContact O-OG 3.35Å; S769-G771 VanDerWaalsContact C-N 3.33Å
770	S	92.6	Very high	94.7	Very high	85 Å²	85	81.6 Å²	81.6	59%	0.594	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.8	174.3	59.3	0	0	0	0	113.9	T766 D767 F768 K772	T766-S770 VanDerWaalsContact O-CB 3.27Å; T766-S770 WeakPolarHBondContact O-CB 3.48Å; T766-S770 PolarHBondContact O-N 3.22Å; T766-S770 PolarHBondContact O-OG 3.44Å; D767-S770 PolarHBondContact O-OG 2.92Å; F768-S770 VanDerWaalsContact C-N 3.26Å; F768-S770 PolarHBondContact O-N 3.38Å; S770-K772 VanDerWaalsContact C-N 3.27Å; S770-K772 PolarHBondContact O-N 3.49Å
771	G	90	Very high	94.7	Very high	46 Å²	46	84.3 Å²	84.3	47%	0.474	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	8.4	-176.2	0	0	0	0	0	114.8	F768 S769	F768-G771 PolarHBondContact O-N 2.72Å; F768-G771 VanDerWaalsContact O-N 3.11Å; S769-G771 VanDerWaalsContact C-N 3.33Å
772	K	91.8	Very high	94.3	Very high	151 Å²	151	82.4 Å²	82.4	66%	0.657	48%	0.482	S	S	*	.	S	Bend	trans	-68.8	-35	175	178.8	178.8	159.1	-150.5	0	111.9	D767 S770	D767-K772 HydrophobicContact CB-CB 4.48Å; D767-K772 WeakPolarHBondContact O-CA 3.2Å; D767-K772 WeakPolarHBondContact O-CB 3.45Å; D767-K772 PolarHBondContact O-N 2.93Å; D767-K772 WeakPolarHBondContact OD1-CD 3.47Å; D767-K772 IonicContact OD1-NZ 2.69Å; D767-K772 PolarHBondContact OD1-NZ 3.05Å; S770-K772 VanDerWaalsContact C-N 3.27Å; S770-K772 PolarHBondContact O-N 3.49Å
773	L	93.3	Very high	92.9	Very high	54 Å²	54	92.2 Å²	92.2	28%	0.283	51%	0.505	S	S	.	.	S	Bend	trans	-122.3	151.4	171.5	-66.4	177.8	0	0	0	109.8	Q763 D767 F768	Q763-L773 HydrophobicContact CB-CD1 4.04Å; Q763-L773 HydrophobicContact CG-CD1 3.66Å; D767-L773 HydrophobicContact CB-CB 4.23Å; D767-L773 HydrophobicContact CB-CD1 3.74Å; D767-L773 HydrophobicContact CB-CG 3.93Å; D767-L773 PolarHBondContact O-N 3.11Å; F768-L773 WeakPolarHBondContact CA-O 3.48Å; F768-L773 HydrophobicContact CD1-CB 3.98Å; F768-L773 HydrophobicContact CE1-CB 3.84Å; F768-L773 HydrophobicContact CE2-CD1 4.29Å; F768-L773 HydrophobicContact CG-CB 4.38Å; F768-L773 HydrophobicContact CZ-CB 4.13Å; F768-L773 HydrophobicContact CZ-CD1 4.17Å
774	N	93.6	Very high	92.8	Very high	120 Å²	120	94.7 Å²	94.7	64%	0.642	52%	0.519	S	S	*	.			trans	-121.3	147.1	176.9	-67.6	-51.6	0	0	0	110.4
775	Y	95.9	Very high	92.7	Very high	111 Å²	111	96 Å²	96	44%	0.435	52%	0.522	S	S	.	.			trans	-76.5	139.8	171.3	-65.4	-72.5	0	0	0	111.1	L443 F768 H777	L443-Y775 CarbonylContact O-C 3.56Å; L443-Y775 WeakPolarHBondContact O-CA 3.36Å; F768-Y775 HydrophobicContact CB-CE2 3.83Å; F768-Y775 AromaticContact CD1-CD1 3.85Å; F768-Y775 HydrophobicContact CD1-CD1 3.85Å; F768-Y775 AromaticContact CD1-CD2 3.85Å; F768-Y775 HydrophobicContact CD1-CD2 3.85Å; F768-Y775 AromaticContact CD1-CE1 3.65Å; F768-Y775 HydrophobicContact CD1-CE1 3.65Å; F768-Y775 AromaticContact CD1-CE2 3.65Å; F768-Y775 HydrophobicContact CD1-CE2 3.65Å; F768-Y775 AromaticContact CD1-CG 3.95Å; F768-Y775 HydrophobicContact CD1-CG 3.95Å; F768-Y775 AromaticContact CD1-CZ 3.55Å; F768-Y775 HydrophobicContact CD2-CE1 4.43Å; F768-Y775 AromaticContact CE1-CD1 3.69Å; F768-Y775 HydrophobicContact CE1-CD1 3.69Å; F768-Y775 HydrophobicContact CE1-CD2 4.49Å; F768-Y775 AromaticContact CE1-CE1 3.62Å; F768-Y775 HydrophobicContact CE1-CE1 3.62Å; F768-Y775 HydrophobicContact CE1-CE2 4.44Å; F768-Y775 HydrophobicContact CE1-CG 4.14Å; F768-Y775 HydrophobicContact CE2-CE1 4.42Å; F768-Y775 HydrophobicContact CG-CD2 4.48Å; F768-Y775 HydrophobicContact CG-CE1 4.08Å; F768-Y775 AromaticContact CG-CE2 3.84Å; F768-Y775 HydrophobicContact CG-CE2 3.84Å; F768-Y775 AromaticContact CG-CZ 3.61Å; F768-Y775 HydrophobicContact CZ-CD1 4.41Å; F768-Y775 HydrophobicContact CZ-CE1 4.03Å; Y775-H777 VanDerWaalsContact CB-NE2 3.28Å; Y775-H777 WeakPolarHBondContact CB-NE2 3.27Å; Y775-H777 AromaticContact CD1-CE1 3.85Å; Y775-H777 AromaticContact CG-CE1 3.83Å; Y775-H777 AromaticContact CG-NE2 3.64Å
776	L	95.6	Very high	92.5	Very high	83 Å²	83	95.1 Å²	95.1	44%	0.435	51%	0.513	S	S	.	.			trans	-101.7	-39	174.8	-62.2	175.3	0	0	0	112.1	K442 L443 E778	K442-L776 HydrophobicContact CD-CD1 3.8Å; K442-L776 VanDerWaalsContact CE-CD1 3.5Å; K442-L776 HydrophobicContact CG-CD1 4.11Å; L443-L776 PolarHBondContact O-N 2.59Å; L776-E778 PolarHBondContact O-N 3.12Å
777	H	95.5	Very high	92.3	Very high	115 Å²	115	95.2 Å²	95.2	53%	0.532	51%	0.51	S	S	.	.			trans	50	35.1	-176.3	-58.3	-56.6	0	0	0	114.9	K442 L443 Y775	K442-H777 CarbonylContact O-C 3.59Å; K442-H777 WeakPolarHBondContact O-CA 3.18Å; K442-H777 PolarHBondContact O-N 3.16Å; K442-H777 VanDerWaalsContact O-N 3.08Å; L443-H777 WeakPolarHBondContact CD2-ND1 3.26Å; Y775-H777 VanDerWaalsContact CB-NE2 3.28Å; Y775-H777 WeakPolarHBondContact CB-NE2 3.27Å; Y775-H777 AromaticContact CD1-CE1 3.85Å; Y775-H777 AromaticContact CG-CE1 3.83Å; Y775-H777 AromaticContact CG-NE2 3.64Å
778	E	96.9	Very high	92.1	Very high	104 Å²	104	99.6 Å²	99.6	49%	0.486	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	120.5	-177.3	-176.8	-170.7	171.2	0	0	110.7	T441 K442 L776 L780	T441-E778 CarbonylContact C-O 3.45Å; T441-E778 WeakPolarHBondContact CA-O 3.46Å; K442-E778 HydrophobicContact CB-CB 4.27Å; K442-E778 PolarHBondContact N-O 3.38Å; K442-E778 PolarHBondContact O-N 2.98Å; L776-E778 PolarHBondContact O-N 3.12Å; E778-L780 PolarHBondContact O-N 3.45Å
779	S	96.4	Very high	91.9	Very high	100 Å²	100	104.5 Å²	104.5	70%	0.699	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.2	124	172.1	-74.1	0	0	0	0	110.5
780	L	95.4	Very high	91.8	Very high	33 Å²	33	104.9 Å²	104.9	17%	0.173	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-98.7	149.2	177.7	-61.7	-179.4	0	0	0	110.4	R440 K442 I448 E778	R440-L780 HydrophobicContact CB-CB 4.18Å; R440-L780 HydrophobicContact CG-CB 4.01Å; R440-L780 HydrophobicContact CG-CD1 4.17Å; R440-L780 PolarHBondContact O-N 3.03Å; K442-L780 HydrophobicContact CB-CD1 4.07Å; K442-L780 HydrophobicContact CB-CD2 4.31Å; K442-L780 HydrophobicContact CB-CG 4.17Å; I448-L780 HydrophobicContact CD1-CD1 4.03Å; I448-L780 HydrophobicContact CG2-CD1 4.47Å; E778-L780 PolarHBondContact O-N 3.45Å
781	P	94.4	Very high	91.7	Very high	106 Å²	106	106.4 Å²	106.4	69%	0.688	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-62	144.1	174.9	24.7	-32.9	0	0	0	111.8
782	I	88.6	Confident	91.8	Very high	84 Å²	84	111.4 Å²	111.4	43%	0.431	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-92.1	134.1	173.6	-44.9	173.7	0	0	0	106.8	V437 L438	V437-I782 HydrophobicContact CB-CG2 3.75Å; V437-I782 HydrophobicContact CG1-CG2 3.81Å; V437-I782 VanDerWaalsContact O-CG2 3.24Å; V437-I782 WeakPolarHBondContact O-CG2 3.48Å; L438-I782 WeakPolarHBondContact O-CD1 3.28Å
783	K	64.6	Low	91.8	Very high	276 Å²	276	107.8 Å²	107.8	100%	1.2	55%	0.546	S	S	*	.			trans	-93.5	0	176.9	-88.1	-168	175.9	-173.3	0	111.1

Retrieved 783 of 783 residues in 1767.1 ms (Link to these results)

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