A0A087XF15_POEFO Loading...

tRNA (cytosine(34)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XF15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 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	40	Very low	37.2	Very low	255 Å²	255	168.6 Å²	168.6	100%	1.256	79%	0.792	S	S	*	*				0	75.9	0	-71	-173.6	-125.8	0	0	110.6
2	G	45	Very low	37.1	Very low	68 Å²	68	165.8 Å²	165.8	70%	0.701	78%	0.778	S	S	*	*			trans	-128.7	25.2	-167.6	0	0	0	0	0	115.1
3	K	33.9	Very low	36.7	Very low	189 Å²	189	161.6 Å²	161.6	82%	0.822	77%	0.765	S	S	*	*	S	Bend	trans	-114.2	-6.3	-177.3	-81.8	-174.4	174.9	179.8	0	115.7
4	R	38.6	Very low	36.4	Very low	239 Å²	239	155 Å²	155	90%	0.902	75%	0.751	S	S	*	*	S	Bend	trans	-93.6	-12.1	179.9	-96.9	179.9	166.8	178.9	-4.2	115.7
5	S	40.5	Very low	36.2	Very low	93 Å²	93	149.7 Å²	149.7	65%	0.65	74%	0.736	S	S	*	*	S	Bend	trans	-90.4	-30.9	-179.5	-170.3	0	0	0	0	113.5	Q7	S5-Q7 PolarHBondContact O-N 3.1Å
6	R	35.1	Very low	35.9	Very low	212 Å²	212	151.8 Å²	151.8	80%	0.8	73%	0.733	S	S	*	*	H	α-helix	trans	-77.4	-17.7	-178.8	-87.9	-179.8	170.7	172.5	-2.8	115.4
7	Q	35.6	Very low	35.5	Very low	155 Å²	155	150.6 Å²	150.6	72%	0.724	73%	0.732	S	S	*	*	H	α-helix	trans	-82.6	-20.5	177.2	-120.3	166.2	-11.1	0	0	112.8	S5	S5-Q7 PolarHBondContact O-N 3.1Å
8	R	37	Very low	35.3	Very low	202 Å²	202	150.2 Å²	150.2	76%	0.762	73%	0.733	S	S	*	*	H	α-helix	trans	-82.9	-26.4	178.4	-129.1	175.6	178.4	-177.7	-1.9	113.1
9	Q	36.2	Very low	35.2	Very low	139 Å²	139	152.9 Å²	152.9	65%	0.65	74%	0.735	S	S	*	*	H	α-helix	trans	-82.6	-26	174.8	-92.1	176.7	-23.5	0	0	113.9
10	K	32.9	Very low	35	Very low	173 Å²	173	152.5 Å²	152.5	75%	0.752	74%	0.737	S	S	*	*	H	α-helix	trans	-75.6	-30.7	175.5	-110.8	-176.3	176.6	-173.1	0	113.5	A14	K10-A14 PolarHBondContact O-N 3.05Å
11	N	33.9	Very low	34.7	Very low	130 Å²	130	152.3 Å²	152.3	70%	0.695	74%	0.739	S	S	*	*	H	α-helix	trans	-79.7	-12.8	174.6	-95.2	18.4	0	0	0	114.4
12	Q	36.7	Very low	34.3	Very low	134 Å²	134	144.1 Å²	144.1	63%	0.626	71%	0.712	S	S	*	*	H	α-helix	trans	-88.4	-24.3	174.8	-80	-177	-6.3	0	0	113.3
13	N	31.9	Very low	33.6	Very low	112 Å²	112	143.6 Å²	143.6	60%	0.599	71%	0.707	S	S	*	*	H	α-helix	trans	-89.5	-26	174.9	-84.9	10.6	0	0	0	113.6	S15 R16	N13-S15 VanDerWaalsContact C-N 3.32Å; N13-S15 PolarHBondContact O-N 3.18Å; N13-R16 PolarHBondContact O-N 3.24Å
14	A	32.9	Very low	33.5	Very low	69 Å²	69	147.8 Å²	147.8	57%	0.57	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-20.5	174.1	0	0	0	0	0	113.6	K10	K10-A14 PolarHBondContact O-N 3.05Å
15	S	32.8	Very low	33.3	Very low	75 Å²	75	139.9 Å²	139.9	52%	0.524	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-2.8	175.6	-177.3	0	0	0	0	113.4	N13	N13-S15 VanDerWaalsContact C-N 3.32Å; N13-S15 PolarHBondContact O-N 3.18Å
16	R	31.9	Very low	32.8	Very low	183 Å²	183	139.9 Å²	139.9	69%	0.691	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-31.9	179.9	-119.6	177.1	171.7	172.8	-3.4	112.3	N13	N13-R16 PolarHBondContact O-N 3.24Å
17	D	29.6	Very low	32.8	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-15.7	179.2	-79.3	-17.6	0	0	0	114.6
18	D	30.8	Very low	33.1	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-1.1	174.2	-105.6	-18.2	0	0	0	113.8
19	R	32.8	Very low	33.5	Very low	203 Å²	203	130.8 Å²	130.8	77%	0.766	72%	0.716	S	S	*	*	S	Bend	trans	-102.7	-10.7	176.5	-84.5	-174.1	178.4	-177.9	-0.2	114.5
20	D	32.4	Very low	34.5	Very low	144 Å²	144	131.6 Å²	131.6	77%	0.77	73%	0.725	S	S	*	*	S	Bend	trans	-101.8	6.2	-178.8	-71.6	-19.4	0	0	0	113.2
21	N	28.9	Very low	36.2	Very low	148 Å²	148	127.4 Å²	127.4	79%	0.791	71%	0.71	S	S	*	*			trans	-121.9	10.3	175.3	-149.1	17.3	0	0	0	114.9	G23	N21-G23 PolarHBondContact O-N 3.24Å
22	A	31.4	Very low	38.2	Very low	83 Å²	83	126.5 Å²	126.5	69%	0.686	70%	0.704	S	S	*	*	S	Bend	trans	-81.1	81.6	162.4	0	0	0	0	0	107.9	W24	A22-W24 PolarHBondContact O-N 3.45Å
23	G	29.1	Very low	40.5	Very low	58 Å²	58	123 Å²	123	60%	0.598	69%	0.687	S	S	*	*			trans	-46.2	139.9	174.4	0	0	0	0	0	111.3	N21 G25	N21-G23 PolarHBondContact O-N 3.24Å; G23-G25 PolarHBondContact O-N 2.97Å
24	W	33.7	Very low	43.2	Very low	277 Å²	277	124.2 Å²	124.2	100%	1.049	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	64.5	169.2	-86.1	66.8	0	0	0	111.4	A22	A22-W24 PolarHBondContact O-N 3.45Å
25	G	33	Very low	45.9	Very low	72 Å²	72	122 Å²	122	74%	0.742	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154	4.7	-174.4	0	0	0	0	0	113.8	G23 G27	G23-G25 PolarHBondContact O-N 2.97Å; G25-G27 PolarHBondContact O-N 3.5Å
26	A	31.3	Very low	48.7	Very low	93 Å²	93	126.4 Å²	126.4	77%	0.769	68%	0.677	S	S	*	*			trans	-85.4	101.9	163.1	0	0	0	0	0	107.7
27	G	33.5	Very low	51.5	Low	66 Å²	66	120 Å²	120	68%	0.68	66%	0.656	S	S	*	*			trans	-49.7	146.4	169.8	0	0	0	0	0	110.3	G25 A29	G25-G27 PolarHBondContact O-N 3.5Å; G27-A29 PolarHBondContact O-N 3.37Å; G27-A29 VanDerWaalsContact O-N 3.14Å
28	Y	41.6	Very low	54.5	Low	223 Å²	223	113.7 Å²	113.7	88%	0.875	62%	0.622	S	S	*	*			trans	-45	127	165.4	-86.8	-101.2	0	0	0	107.8	D30	Y28-D30 PolarHBondContact O-N 2.88Å; Y28-D30 VanDerWaalsContact O-N 3.1Å
29	A	47	Very low	57.5	Low	89 Å²	89	108.6 Å²	108.6	74%	0.736	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-51.4	123.8	174	0	0	0	0	0	107.9	G27 I31	G27-A29 PolarHBondContact O-N 3.37Å; G27-A29 VanDerWaalsContact O-N 3.14Å; A29-I31 PolarHBondContact O-N 3.35Å; A29-I31 VanDerWaalsContact O-N 3.1Å
30	D	56.4	Low	60.4	Low	157 Å²	157	103.2 Å²	103.2	84%	0.84	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-52.5	122.4	-177	-77.3	-42.8	0	0	0	109	Y28 I32	Y28-D30 PolarHBondContact O-N 2.88Å; Y28-D30 VanDerWaalsContact O-N 3.1Å; D30-I32 PolarHBondContact O-N 3.48Å; D30-I32 VanDerWaalsContact O-N 3.16Å
31	I	67.9	Low	63.3	Low	84 Å²	84	96.4 Å²	96.4	43%	0.431	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-72.4	117.9	-176.5	-51.7	168	0	0	0	107.4	A29 K33 I271	A29-I31 PolarHBondContact O-N 3.35Å; A29-I31 VanDerWaalsContact O-N 3.1Å; I31-K33 PolarHBondContact O-N 3.09Å; I31-K33 VanDerWaalsContact O-N 3.09Å; I31-I271 HydrophobicContact CB-CG2 4.27Å; I31-I271 HydrophobicContact CD1-CD1 3.63Å; I31-I271 HydrophobicContact CD1-CG2 4.45Å; I31-I271 HydrophobicContact CG2-CG2 3.25Å
32	I	76.6	Confident	66.5	Low	111 Å²	111	89.5 Å²	89.5	57%	0.569	51%	0.507	S	S	*	.			trans	-64.6	109.6	179.5	-55.7	171.1	0	0	0	108.9	D30 E34	D30-I32 PolarHBondContact O-N 3.48Å; D30-I32 VanDerWaalsContact O-N 3.16Å; I32-E34 HydrophobicContact CG2-CB 4.03Å; I32-E34 HydrophobicContact CG2-CG 4.4Å
33	K	85.7	Confident	69.4	Low	62 Å²	62	90.6 Å²	90.6	27%	0.27	50%	0.496	S	S	.	.			trans	-104.5	56.6	176.2	-65.1	177.6	-179.5	175.8	0	110.4	I31 R61 W274	I31-K33 PolarHBondContact O-N 3.09Å; I31-K33 VanDerWaalsContact O-N 3.09Å; K33-R61 HydrophobicContact CB-CG 4.06Å; K33-R61 HydrophobicContact CD-CB 4.25Å; K33-R61 VanDerWaalsContact CD-O 3.27Å; K33-R61 WeakPolarHBondContact CD-O 3.41Å; K33-R61 WeakPolarHBondContact CE-O 3.16Å; K33-R61 PolarHBondContact NZ-O 3.44Å; K33-R61 PolarHBondContact O-NE 2.96Å; K33-W274 VanDerWaalsContact C-CE3 3.45Å; K33-W274 HydrophobicContact CB-CD2 4.14Å; K33-W274 HydrophobicContact CB-CG 4.48Å; K33-W274 HydrophobicContact CB-CZ2 4.29Å; K33-W274 WeakPolarHBondContact O-CZ3 3.23Å
34	E	87.2	Confident	72.4	Confident	136 Å²	136	93.5 Å²	93.5	64%	0.636	49%	0.494	S	S	*	.			trans	-137	137.1	-178	-63.8	-179.9	-176.7	0	0	109.3	I32	I32-E34 HydrophobicContact CG2-CB 4.03Å; I32-E34 HydrophobicContact CG2-CG 4.4Å
35	N	90.6	Very high	75.3	Confident	23 Å²	23	81.1 Å²	81.1	12%	0.123	45%	0.448	C	S	.	.			trans	-151.7	104.3	171	-174.2	-43.9	0	0	0	108.7	L37 F38 E39 W274 W277	N35-L37 VanDerWaalsContact C-N 3.32Å; N35-L37 PolarHBondContact O-N 3.36Å; N35-L37 WeakPolarHBondContact OD1-CB 3.21Å; N35-L37 PolarHBondContact OD1-N 2.88Å; N35-L37 VanDerWaalsContact OD1-N 3.16Å; N35-F38 HydrophobicContact CB-CB 3.87Å; N35-F38 WeakPolarHBondContact O-CB 3.47Å; N35-F38 PolarHBondContact O-N 2.96Å; N35-F38 PolarHBondContact OD1-N 3.45Å; N35-E39 PolarHBondContact O-N 2.68Å; N35-W274 HydrophobicContact CB-CE3 4.23Å; N35-W274 PolarHBondContact ND2-O 3.5Å; N35-W277 PolarHBondContact ND2-O 3.11Å
36	K	90.8	Very high	78.1	Confident	168 Å²	168	80.3 Å²	80.3	73%	0.73	44%	0.44	S	S	*	.	H	α-helix	trans	-61.3	-40.3	-176.7	-67.2	-173.6	177.7	-175.5	0	112.6	F38 E39 D40	K36-F38 VanDerWaalsContact C-N 3.29Å; K36-F38 PolarHBondContact O-N 3.08Å; K36-E39 PolarHBondContact O-N 3.35Å; K36-D40 WeakPolarHBondContact O-CB 3.41Å; K36-D40 PolarHBondContact O-N 3.18Å
37	L	91.5	Very high	81	Confident	48 Å²	48	76.6 Å²	76.6	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-38.5	179.7	-168.9	71.6	0	0	0	111.1	N35 Y41 W277 M357	N35-L37 VanDerWaalsContact C-N 3.32Å; N35-L37 PolarHBondContact O-N 3.36Å; N35-L37 WeakPolarHBondContact OD1-CB 3.21Å; N35-L37 PolarHBondContact OD1-N 2.88Å; N35-L37 VanDerWaalsContact OD1-N 3.16Å; L37-Y41 WeakPolarHBondContact O-CB 3.41Å; L37-Y41 PolarHBondContact O-N 3.28Å; L37-W277 HydrophobicContact CB-CZ3 4.13Å; L37-W277 HydrophobicContact CD2-CZ3 4.03Å; L37-W277 HydrophobicContact CG-CZ3 3.88Å; L37-M357 HydrophobicContact CD1-CE 3.56Å; L37-M357 HydrophobicContact CD1-SD 4.17Å; L37-M357 HydrophobicContact CD2-CE 4.13Å; L37-M357 HydrophobicContact CG-CE 3.67Å
38	F	93.3	Very high	83.9	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-48.6	174	175.2	-90.2	0	0	0	111.4	N35 K36 Y41 Y42 F56 M57 M60 D264 M267 W277	N35-F38 HydrophobicContact CB-CB 3.87Å; N35-F38 WeakPolarHBondContact O-CB 3.47Å; N35-F38 PolarHBondContact O-N 2.96Å; N35-F38 PolarHBondContact OD1-N 3.45Å; K36-F38 VanDerWaalsContact C-N 3.29Å; K36-F38 PolarHBondContact O-N 3.08Å; F38-Y41 PolarHBondContact O-N 2.84Å; F38-Y42 HydrophobicContact CD1-CD2 4.22Å; F38-Y42 AromaticContact CD2-CD2 3.61Å; F38-Y42 HydrophobicContact CD2-CD2 3.61Å; F38-Y42 AromaticContact CD2-CE2 3.49Å; F38-Y42 HydrophobicContact CD2-CE2 3.49Å; F38-Y42 VanDerWaalsContact CD2-CE2 3.49Å; F38-Y42 AromaticContact CE1-CD2 3.98Å; F38-Y42 HydrophobicContact CE1-CD2 3.98Å; F38-Y42 AromaticContact CE2-CD2 3.37Å; F38-Y42 HydrophobicContact CE2-CD2 3.37Å; F38-Y42 AromaticContact CE2-CE2 3.09Å; F38-Y42 HydrophobicContact CE2-CE2 3.09Å; F38-Y42 HydrophobicContact CG-CD2 4.05Å; F38-Y42 HydrophobicContact CG-CE2 4.38Å; F38-Y42 AromaticContact CZ-CD2 3.54Å; F38-Y42 HydrophobicContact CZ-CD2 3.54Å; F38-Y42 AromaticContact CZ-CE2 3.67Å; F38-Y42 HydrophobicContact CZ-CE2 3.67Å; F38-Y42 HydrophobicContact CZ-CG 4.44Å; F38-Y42 WeakPolarHBondContact O-CD2 3.36Å; F38-Y42 PolarHBondContact O-N 2.92Å; F38-F56 HydrophobicContact CE1-CE1 4.01Å; F38-F56 HydrophobicContact CE1-CZ 4.4Å; F38-F56 HydrophobicContact CZ-CE1 4.15Å; F38-F56 HydrophobicContact CZ-CZ 4.09Å; F38-M57 HydrophobicContact CD1-CE 4.3Å; F38-M57 HydrophobicContact CD1-SD 4.23Å; F38-M57 HydrophobicContact CE1-CE 4.27Å; F38-M57 HydrophobicContact CE1-SD 3.83Å; F38-M60 HydrophobicContact CE1-CE 4.45Å; F38-M60 HydrophobicContact CZ-CE 3.78Å; F38-D264 HydrophobicContact CE2-CB 4.3Å; F38-M267 HydrophobicContact CD2-CE 3.3Å; F38-M267 HydrophobicContact CD2-SD 4.14Å; F38-M267 HydrophobicContact CE1-SD 4.26Å; F38-M267 HydrophobicContact CE2-CE 3.4Å; F38-M267 HydrophobicContact CE2-SD 3.78Å; F38-M267 HydrophobicContact CG-CE 3.9Å; F38-M267 HydrophobicContact CG-SD 4.5Å; F38-M267 HydrophobicContact CZ-CE 4.1Å; F38-M267 HydrophobicContact CZ-SD 3.88Å; F38-W277 HydrophobicContact CB-CD2 3.97Å; F38-W277 HydrophobicContact CB-CE3 3.65Å; F38-W277 HydrophobicContact CB-CH2 4.4Å; F38-W277 HydrophobicContact CB-CZ3 3.9Å; F38-W277 AromaticContact CD2-CD2 3.76Å; F38-W277 HydrophobicContact CD2-CD2 3.76Å; F38-W277 AromaticContact CD2-CE2 3.57Å; F38-W277 HydrophobicContact CD2-CE3 4.28Å; F38-W277 HydrophobicContact CD2-CG 4.06Å; F38-W277 HydrophobicContact CD2-CH2 4.48Å; F38-W277 AromaticContact CD2-CZ2 3.96Å; F38-W277 HydrophobicContact CD2-CZ2 3.96Å; F38-W277 AromaticContact CD2-NE1 3.72Å; F38-W277 HydrophobicContact CG-CD2 4.37Å; F38-W277 HydrophobicContact CG-CE3 4.5Å; F38-W277 VanDerWaalsContact N-CZ3 3.33Å
39	E	93.6	Very high	86.4	Confident	36 Å²	36	65.2 Å²	65.2	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-48.7	-180	-70.8	-176.6	-156	0	0	111.7	N35 K36 Y41 Y42 K43 F53 M57 R61	N35-E39 PolarHBondContact O-N 2.68Å; K36-E39 PolarHBondContact O-N 3.35Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.09Å; E39-Y42 PolarHBondContact O-N 2.9Å; E39-K43 WeakPolarHBondContact O-CB 3.32Å; E39-K43 VanDerWaalsContact O-CG 3.23Å; E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.24Å; E39-F53 HydrophobicContact CB-CZ 4.39Å; E39-M57 HydrophobicContact CG-CE 3.46Å; E39-M57 VanDerWaalsContact CG-CE 3.46Å; E39-M57 HydrophobicContact CG-SD 3.98Å; E39-M57 WeakPolarHBondContact OE1-CE 3.46Å; E39-R61 IonicContact OE1-NH2 3.31Å; E39-R61 PolarHBondContact OE1-NH2 3.07Å
40	D	92.6	Very high	88.5	Confident	89 Å²	89	70.6 Å²	70.6	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-40.3	179	-64.3	-21.8	0	0	0	111.1	K36 E44	K36-D40 WeakPolarHBondContact O-CB 3.41Å; K36-D40 PolarHBondContact O-N 3.18Å; D40-E44 WeakPolarHBondContact O-CB 3.44Å; D40-E44 WeakPolarHBondContact O-CG 3.47Å; D40-E44 PolarHBondContact O-N 3.21Å
41	Y	94.5	Very high	90.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-50.9	177.5	178.9	-99.5	0	0	0	112.5	L37 F38 E39 E44 Q45 W277 T279 N314 M357 W363	L37-Y41 WeakPolarHBondContact O-CB 3.41Å; L37-Y41 PolarHBondContact O-N 3.28Å; F38-Y41 PolarHBondContact O-N 2.84Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.09Å; Y41-E44 PolarHBondContact O-N 3.48Å; Y41-Q45 HydrophobicContact CD1-CG 4.23Å; Y41-Q45 HydrophobicContact CD2-CG 4.35Å; Y41-Q45 HydrophobicContact CE1-CG 3.92Å; Y41-Q45 HydrophobicContact CE2-CG 4.04Å; Y41-Q45 HydrophobicContact CG-CG 4.45Å; Y41-Q45 VanDerWaalsContact CZ-NE2 3.34Å; Y41-Q45 WeakPolarHBondContact O-CB 3.26Å; Y41-Q45 WeakPolarHBondContact O-CG 3.38Å; Y41-Q45 PolarHBondContact O-N 3.15Å; Y41-Q45 PolarHBondContact OH-NE2 2.77Å; Y41-W277 AromaticContact CD1-CH2 3.78Å; Y41-W277 HydrophobicContact CD1-CH2 3.78Å; Y41-W277 AromaticContact CD1-CZ2 3.85Å; Y41-W277 HydrophobicContact CD1-CZ2 3.85Å; Y41-W277 HydrophobicContact CD2-CH2 4.42Å; Y41-W277 HydrophobicContact CE1-CZ2 4.33Å; Y41-W277 AromaticContact CG-CH2 3.7Å; Y41-W277 HydrophobicContact CG-CH2 3.7Å; Y41-W277 HydrophobicContact CG-CZ2 4.25Å; Y41-T279 HydrophobicContact CD2-CG2 3.95Å; Y41-T279 HydrophobicContact CE2-CG2 3.88Å; Y41-N314 PolarHBondContact OH-ND2 3.42Å; Y41-N314 PolarHBondContact OH-OD1 2.91Å; Y41-N314 VanDerWaalsContact OH-OD1 3.07Å; Y41-M357 HydrophobicContact CD2-CB 3.71Å; Y41-M357 HydrophobicContact CD2-CE 3.64Å; Y41-M357 HydrophobicContact CD2-CG 4.43Å; Y41-M357 HydrophobicContact CD2-SD 3.95Å; Y41-M357 HydrophobicContact CE2-CB 3.74Å; Y41-M357 HydrophobicContact CG-CE 4.18Å; Y41-W363 AromaticContact CD2-CH2 3.33Å; Y41-W363 HydrophobicContact CD2-CH2 3.33Å; Y41-W363 AromaticContact CD2-CZ2 3.97Å; Y41-W363 HydrophobicContact CD2-CZ2 3.97Å; Y41-W363 HydrophobicContact CD2-CZ3 4Å; Y41-W363 AromaticContact CE2-CH2 3.76Å; Y41-W363 HydrophobicContact CE2-CH2 3.76Å; Y41-W363 AromaticContact CE2-CZ3 3.95Å; Y41-W363 HydrophobicContact CE2-CZ3 3.95Å; Y41-W363 HydrophobicContact CG-CH2 4.16Å
42	Y	94.3	Very high	91.5	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-74.3	-25.7	-177.2	-81.8	-75.5	0	0	0	113.2	F38 E39 G46 L47 I48 D264 W277 L313 N314	F38-Y42 HydrophobicContact CD1-CD2 4.22Å; F38-Y42 AromaticContact CD2-CD2 3.61Å; F38-Y42 HydrophobicContact CD2-CD2 3.61Å; F38-Y42 AromaticContact CD2-CE2 3.49Å; F38-Y42 HydrophobicContact CD2-CE2 3.49Å; F38-Y42 VanDerWaalsContact CD2-CE2 3.49Å; F38-Y42 AromaticContact CE1-CD2 3.98Å; F38-Y42 HydrophobicContact CE1-CD2 3.98Å; F38-Y42 AromaticContact CE2-CD2 3.37Å; F38-Y42 HydrophobicContact CE2-CD2 3.37Å; F38-Y42 AromaticContact CE2-CE2 3.09Å; F38-Y42 HydrophobicContact CE2-CE2 3.09Å; F38-Y42 HydrophobicContact CG-CD2 4.05Å; F38-Y42 HydrophobicContact CG-CE2 4.38Å; F38-Y42 AromaticContact CZ-CD2 3.54Å; F38-Y42 HydrophobicContact CZ-CD2 3.54Å; F38-Y42 AromaticContact CZ-CE2 3.67Å; F38-Y42 HydrophobicContact CZ-CE2 3.67Å; F38-Y42 HydrophobicContact CZ-CG 4.44Å; F38-Y42 WeakPolarHBondContact O-CD2 3.36Å; F38-Y42 PolarHBondContact O-N 2.92Å; E39-Y42 PolarHBondContact O-N 2.9Å; Y42-G46 PolarHBondContact O-N 3.48Å; Y42-L47 HydrophobicContact CD1-CD1 3.98Å; Y42-L47 HydrophobicContact CE1-CD1 3.82Å; Y42-I48 HydrophobicContact CD1-CD1 4.02Å; Y42-I48 HydrophobicContact CG-CD1 4.37Å; Y42-D264 PolarHBondContact OH-OD2 3.18Å; Y42-W277 HydrophobicContact CE2-CZ2 4.04Å; Y42-L313 HydrophobicContact CE1-CB 3.69Å; Y42-L313 WeakPolarHBondContact OH-CB 3.38Å; Y42-N314 PolarHBondContact OH-N 3.45Å
43	K	93.1	Very high	92.4	Very high	105 Å²	105	61.4 Å²	61.4	46%	0.457	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-52.3	167.6	-75.2	173.7	-169.7	170.7	0	111.3	E39 Q45 G46 F53	E39-K43 WeakPolarHBondContact O-CB 3.32Å; E39-K43 VanDerWaalsContact O-CG 3.23Å; E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.24Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.63Å; K43-G46 PolarHBondContact O-N 3.5Å; K43-F53 HydrophobicContact CB-CE2 4.47Å; K43-F53 HydrophobicContact CD-CD1 4.46Å; K43-F53 HydrophobicContact CD-CE1 4.06Å; K43-F53 HydrophobicContact CD-CZ 4.17Å; K43-F53 HydrophobicContact CG-CD1 4.09Å; K43-F53 HydrophobicContact CG-CD2 3.9Å; K43-F53 HydrophobicContact CG-CE1 3.78Å; K43-F53 HydrophobicContact CG-CE2 3.57Å; K43-F53 HydrophobicContact CG-CG 4.16Å; K43-F53 HydrophobicContact CG-CZ 3.51Å
44	E	92.8	Very high	92.8	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	34%	0.344	S	S	*	.	H	α-helix	trans	-67.5	-31	-178	-75.9	-67.3	159.7	0	0	113.2	D40 Y41 G46 W363	D40-E44 WeakPolarHBondContact O-CB 3.44Å; D40-E44 WeakPolarHBondContact O-CG 3.47Å; D40-E44 PolarHBondContact O-N 3.21Å; Y41-E44 PolarHBondContact O-N 3.48Å; E44-G46 VanDerWaalsContact C-N 3.28Å; E44-G46 PolarHBondContact O-N 3.23Å; E44-W363 HydrophobicContact CB-CH2 3.78Å; E44-W363 HydrophobicContact CB-CZ2 3.54Å; E44-W363 HydrophobicContact CG-CZ2 4.08Å
45	Q	93.5	Very high	93.3	Very high	17 Å²	17	63.2 Å²	63.2	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-71	-22.6	175.3	-72.2	-75.1	45	0	0	113.5	Y41 K43 L47 K355 W363	Y41-Q45 HydrophobicContact CD1-CG 4.23Å; Y41-Q45 HydrophobicContact CD2-CG 4.35Å; Y41-Q45 HydrophobicContact CE1-CG 3.92Å; Y41-Q45 HydrophobicContact CE2-CG 4.04Å; Y41-Q45 HydrophobicContact CG-CG 4.45Å; Y41-Q45 VanDerWaalsContact CZ-NE2 3.34Å; Y41-Q45 WeakPolarHBondContact O-CB 3.26Å; Y41-Q45 WeakPolarHBondContact O-CG 3.38Å; Y41-Q45 PolarHBondContact O-N 3.15Å; Y41-Q45 PolarHBondContact OH-NE2 2.77Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.63Å; Q45-L47 VanDerWaalsContact C-N 3.28Å; Q45-L47 HydrophobicContact CB-CD1 4.06Å; Q45-L47 HydrophobicContact CB-CG 3.83Å; Q45-L47 PolarHBondContact O-N 2.57Å; Q45-K355 PolarHBondContact NE2-O 3.46Å; Q45-K355 PolarHBondContact OE1-O 3.47Å; Q45-W363 HydrophobicContact CG-CH2 4.06Å; Q45-W363 HydrophobicContact CG-CZ3 4.2Å
46	G	92.1	Very high	93.5	Very high	56 Å²	56	62.1 Å²	62.1	58%	0.577	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	28.6	179	0	0	0	0	0	114.5	Y42 K43 E44	Y42-G46 PolarHBondContact O-N 3.48Å; K43-G46 PolarHBondContact O-N 3.5Å; E44-G46 VanDerWaalsContact C-N 3.28Å; E44-G46 PolarHBondContact O-N 3.23Å
47	L	92.8	Very high	93.7	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	30%	0.298	C	S	.	.			trans	-79.8	-24	-179	-58.5	173.2	0	0	0	113	Y42 Q45 P315 V351	Y42-L47 HydrophobicContact CD1-CD1 3.98Å; Y42-L47 HydrophobicContact CE1-CD1 3.82Å; Q45-L47 VanDerWaalsContact C-N 3.28Å; Q45-L47 HydrophobicContact CB-CD1 4.06Å; Q45-L47 HydrophobicContact CB-CG 3.83Å; Q45-L47 PolarHBondContact O-N 2.57Å; L47-P315 HydrophobicContact CD1-CG 4.31Å; L47-V351 HydrophobicContact CD2-CB 4.34Å; L47-V351 HydrophobicContact CD2-CG1 3.75Å; L47-V351 HydrophobicContact CD2-CG2 3.8Å
48	I	94.8	Very high	93.9	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	31%	0.312	C	S	.	.	S	Bend	trans	-92.8	133.3	177.8	-61	75.5	0	0	0	107.3	Y42 E52 F53 F56	Y42-I48 HydrophobicContact CD1-CD1 4.02Å; Y42-I48 HydrophobicContact CG-CD1 4.37Å; I48-E52 HydrophobicContact CG2-CB 3.94Å; I48-F53 HydrophobicContact CB-CD2 4.32Å; I48-F53 HydrophobicContact CD1-CD2 4.37Å; I48-F53 HydrophobicContact CD1-CE2 4.39Å; I48-F53 HydrophobicContact CG1-CD2 4.35Å; I48-F56 HydrophobicContact CD1-CD1 4.34Å; I48-F56 HydrophobicContact CD1-CE1 4.25Å; I48-F56 HydrophobicContact CG1-CB 4.33Å; I48-F56 HydrophobicContact CG1-CD1 3.97Å; I48-F56 HydrophobicContact CG1-CD2 4.19Å; I48-F56 HydrophobicContact CG1-CE1 4.31Å; I48-F56 HydrophobicContact CG1-CG 3.89Å; I48-F56 HydrophobicContact CG2-CB 4.13Å
49	P	93.3	Very high	93.9	Very high	33 Å²	33	57.9 Å²	57.9	21%	0.214	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-52.9	146.7	176.9	-27	35.1	0	0	0	113.2	G51 E52 M348	P49-G51 PolarHBondContact O-N 2.8Å; P49-E52 HydrophobicContact CB-CB 4.41Å; P49-E52 HydrophobicContact CB-CG 4.1Å; P49-E52 PolarHBondContact O-N 2.83Å; P49-M348 HydrophobicContact CG-CE 3.76Å; P49-M348 HydrophobicContact CG-SD 4.22Å
50	E	90.3	Very high	93.9	Very high	203 Å²	203	56.2 Å²	56.2	95%	0.949	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.4	178.1	-67.2	-173.6	175.4	0	0	111	E52	E50-E52 VanDerWaalsContact C-N 3.31Å; E50-E52 PolarHBondContact O-N 3.11Å
51	G	92.6	Very high	93.9	Very high	73 Å²	73	56 Å²	56	75%	0.753	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-8.1	-178.2	0	0	0	0	0	115.7	P49	P49-G51 PolarHBondContact O-N 2.8Å
52	E	95.8	Very high	93.7	Very high	56 Å²	56	60.4 Å²	60.4	26%	0.262	32%	0.32	S	S	.	.			trans	-96.9	-7.2	178.6	-64.8	-172.6	-174.6	0	0	114	I48 P49 E50 D54 Q55 F56 H405 H406	I48-E52 HydrophobicContact CG2-CB 3.94Å; P49-E52 HydrophobicContact CB-CB 4.41Å; P49-E52 HydrophobicContact CB-CG 4.1Å; P49-E52 PolarHBondContact O-N 2.83Å; E50-E52 VanDerWaalsContact C-N 3.31Å; E50-E52 PolarHBondContact O-N 3.11Å; E52-D54 VanDerWaalsContact C-N 3.32Å; E52-D54 PolarHBondContact O-N 2.82Å; E52-Q55 PolarHBondContact O-N 2.78Å; E52-Q55 VanDerWaalsContact O-N 3.13Å; E52-F56 PolarHBondContact O-N 3.2Å; E52-H405 IonicContact OE2-CD2 3.82Å; E52-H405 IonicContact OE2-CE1 2.78Å; E52-H405 IonicContact OE2-NE2 3.93Å; E52-H405 PolarHBondContact OE2-NE2 3.11Å; E52-H406 IonicContact OE2-CD2 3.47Å; E52-H406 IonicContact OE2-CE1 3.9Å; E52-H406 IonicContact OE2-NE2 2.67Å; E52-H406 PolarHBondContact OE2-NE2 2.94Å
53	F	95.5	Very high	93.5	Very high	29 Å²	29	64.8 Å²	64.8	13%	0.127	35%	0.349	C	S	.	.	H	α-helix	trans	-58.3	-40.3	-172.7	-169.5	-89.8	0	0	0	113.6	E39 K43 I48 F56 M57	E39-F53 HydrophobicContact CB-CZ 4.39Å; K43-F53 HydrophobicContact CB-CE2 4.47Å; K43-F53 HydrophobicContact CD-CD1 4.46Å; K43-F53 HydrophobicContact CD-CE1 4.06Å; K43-F53 HydrophobicContact CD-CZ 4.17Å; K43-F53 HydrophobicContact CG-CD1 4.09Å; K43-F53 HydrophobicContact CG-CD2 3.9Å; K43-F53 HydrophobicContact CG-CE1 3.78Å; K43-F53 HydrophobicContact CG-CE2 3.57Å; K43-F53 HydrophobicContact CG-CG 4.16Å; K43-F53 HydrophobicContact CG-CZ 3.51Å; I48-F53 HydrophobicContact CB-CD2 4.32Å; I48-F53 HydrophobicContact CD1-CD2 4.37Å; I48-F53 HydrophobicContact CD1-CE2 4.39Å; I48-F53 HydrophobicContact CG1-CD2 4.35Å; F53-F56 HydrophobicContact CE2-CD1 4.36Å; F53-F56 WeakPolarHBondContact O-CB 3.24Å; F53-F56 PolarHBondContact O-N 3.45Å; F53-M57 HydrophobicContact CD1-CG 3.87Å; F53-M57 HydrophobicContact CE1-CG 3.31Å; F53-M57 HydrophobicContact CE1-SD 4.05Å; F53-M57 HydrophobicContact CZ-CG 3.73Å; F53-M57 HydrophobicContact CZ-SD 3.86Å; F53-M57 WeakPolarHBondContact O-CG 3.02Å; F53-M57 PolarHBondContact O-N 3.37Å
54	D	94.9	Very high	93.3	Very high	128 Å²	128	61.8 Å²	61.8	68%	0.684	34%	0.338	S	S	*	.	H	α-helix	trans	-66.6	-39.6	179.5	-66.6	-29.7	0	0	0	111.7	E52 M57 E58	E52-D54 VanDerWaalsContact C-N 3.32Å; E52-D54 PolarHBondContact O-N 2.82Å; D54-M57 PolarHBondContact O-N 2.91Å; D54-E58 WeakPolarHBondContact O-CB 3.13Å; D54-E58 PolarHBondContact O-N 2.92Å
55	Q	96.3	Very high	93.2	Very high	108 Å²	108	56.9 Å²	56.9	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-40.2	175.7	-62.7	175.3	25.8	0	0	111.5	E52 M57 E58 A59 H405	E52-Q55 PolarHBondContact O-N 2.78Å; E52-Q55 VanDerWaalsContact O-N 3.13Å; Q55-M57 VanDerWaalsContact C-N 3.34Å; Q55-E58 PolarHBondContact O-N 3.02Å; Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 3.5Å; Q55-H405 HydrophobicContact CB-CB 4.42Å
56	F	96.3	Very high	93	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-49.1	172.5	167.9	-102.2	0	0	0	110.9	F38 I48 E52 F53 A59 M60 L313 P404 H405	F38-F56 HydrophobicContact CE1-CE1 4.01Å; F38-F56 HydrophobicContact CE1-CZ 4.4Å; F38-F56 HydrophobicContact CZ-CE1 4.15Å; F38-F56 HydrophobicContact CZ-CZ 4.09Å; I48-F56 HydrophobicContact CD1-CD1 4.34Å; I48-F56 HydrophobicContact CD1-CE1 4.25Å; I48-F56 HydrophobicContact CG1-CB 4.33Å; I48-F56 HydrophobicContact CG1-CD1 3.97Å; I48-F56 HydrophobicContact CG1-CD2 4.19Å; I48-F56 HydrophobicContact CG1-CE1 4.31Å; I48-F56 HydrophobicContact CG1-CG 3.89Å; I48-F56 HydrophobicContact CG2-CB 4.13Å; E52-F56 PolarHBondContact O-N 3.2Å; F53-F56 HydrophobicContact CE2-CD1 4.36Å; F53-F56 WeakPolarHBondContact O-CB 3.24Å; F53-F56 PolarHBondContact O-N 3.45Å; F56-A59 PolarHBondContact O-N 3.22Å; F56-M60 HydrophobicContact CD2-CG 4.31Å; F56-M60 HydrophobicContact CE1-CG 4.24Å; F56-M60 HydrophobicContact CE2-CG 3.93Å; F56-M60 HydrophobicContact CE2-SD 4.38Å; F56-M60 HydrophobicContact CZ-CE 4.33Å; F56-M60 HydrophobicContact CZ-CG 3.9Å; F56-M60 HydrophobicContact CZ-SD 4.45Å; F56-M60 WeakPolarHBondContact O-CB 3.48Å; F56-M60 WeakPolarHBondContact O-CG 3.49Å; F56-M60 PolarHBondContact O-N 2.97Å; F56-L313 HydrophobicContact CE2-CD1 3.69Å; F56-L313 HydrophobicContact CZ-CD1 3.75Å; F56-P404 HydrophobicContact CD2-CG 4.38Å; F56-P404 HydrophobicContact CE2-CG 4.03Å; F56-H405 AromaticContact CD2-ND1 3.71Å
57	M	95.1	Very high	93	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-36.9	179.6	-71.3	-55	-55.5	0	0	112.9	F38 E39 F53 D54 Q55 M60 R61 W274	F38-M57 HydrophobicContact CD1-CE 4.3Å; F38-M57 HydrophobicContact CD1-SD 4.23Å; F38-M57 HydrophobicContact CE1-CE 4.27Å; F38-M57 HydrophobicContact CE1-SD 3.83Å; E39-M57 HydrophobicContact CG-CE 3.46Å; E39-M57 VanDerWaalsContact CG-CE 3.46Å; E39-M57 HydrophobicContact CG-SD 3.98Å; E39-M57 WeakPolarHBondContact OE1-CE 3.46Å; F53-M57 HydrophobicContact CD1-CG 3.87Å; F53-M57 HydrophobicContact CE1-CG 3.31Å; F53-M57 HydrophobicContact CE1-SD 4.05Å; F53-M57 HydrophobicContact CZ-CG 3.73Å; F53-M57 HydrophobicContact CZ-SD 3.86Å; F53-M57 WeakPolarHBondContact O-CG 3.02Å; F53-M57 PolarHBondContact O-N 3.37Å; D54-M57 PolarHBondContact O-N 2.91Å; Q55-M57 VanDerWaalsContact C-N 3.34Å; M57-M60 PolarHBondContact O-N 3.2Å; M57-R61 VanDerWaalsContact O-CG 3.3Å; M57-R61 WeakPolarHBondContact O-CG 3.21Å; M57-R61 PolarHBondContact O-N 3.1Å; M57-W274 HydrophobicContact CE-CH2 3.78Å; M57-W274 HydrophobicContact CE-CZ3 4.04Å
58	E	94.5	Very high	92.9	Very high	117 Å²	117	56.7 Å²	56.7	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-52.4	172.9	-174.3	172.3	-159.2	0	0	110.9	D54 Q55 M60 R61 E62	D54-E58 WeakPolarHBondContact O-CB 3.13Å; D54-E58 PolarHBondContact O-N 2.92Å; Q55-E58 PolarHBondContact O-N 3.02Å; E58-M60 VanDerWaalsContact C-N 3.28Å; E58-M60 PolarHBondContact O-N 3.26Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 3.48Å; E58-E62 PolarHBondContact O-N 3.09Å; E58-E62 VanDerWaalsContact O-N 3.17Å
59	A	94.1	Very high	92.8	Very high	9 Å²	9	56 Å²	56	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-39.9	177.7	0	0	0	0	0	112.2	Q55 F56 R61 E62 R268 P404 H405	Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 3.5Å; F56-A59 PolarHBondContact O-N 3.22Å; A59-R61 PolarHBondContact O-N 2.9Å; A59-E62 PolarHBondContact O-N 3.42Å; A59-E62 VanDerWaalsContact O-N 3.14Å; A59-R268 WeakPolarHBondContact O-CD 3.15Å; A59-R268 PolarHBondContact O-NE 2.7Å; A59-P404 HydrophobicContact CB-CB 4.29Å; A59-H405 HydrophobicContact CB-CB 3.76Å
60	M	93.1	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-30.4	176.5	-75.1	-67.9	-87.5	0	0	113	F38 F56 M57 E58 D264 M267 R268 W274 P404	F38-M60 HydrophobicContact CE1-CE 4.45Å; F38-M60 HydrophobicContact CZ-CE 3.78Å; F56-M60 HydrophobicContact CD2-CG 4.31Å; F56-M60 HydrophobicContact CE1-CG 4.24Å; F56-M60 HydrophobicContact CE2-CG 3.93Å; F56-M60 HydrophobicContact CE2-SD 4.38Å; F56-M60 HydrophobicContact CZ-CE 4.33Å; F56-M60 HydrophobicContact CZ-CG 3.9Å; F56-M60 HydrophobicContact CZ-SD 4.45Å; F56-M60 WeakPolarHBondContact O-CB 3.48Å; F56-M60 WeakPolarHBondContact O-CG 3.49Å; F56-M60 PolarHBondContact O-N 2.97Å; M57-M60 PolarHBondContact O-N 3.2Å; E58-M60 VanDerWaalsContact C-N 3.28Å; E58-M60 PolarHBondContact O-N 3.26Å; M60-D264 WeakPolarHBondContact CE-O 3.45Å; M60-M267 HydrophobicContact CE-CB 3.64Å; M60-M267 HydrophobicContact CE-CG 3.91Å; M60-M267 HydrophobicContact CE-SD 3.6Å; M60-M267 VanDerWaalsContact CE-SD 3.6Å; M60-R268 WeakPolarHBondContact O-CG 3.42Å; M60-R268 HydrophobicContact SD-CG 4.17Å; M60-W274 HydrophobicContact CB-CH2 4.22Å; M60-W274 HydrophobicContact CB-CZ2 3.99Å; M60-W274 WeakPolarHBondContact O-CZ2 3.24Å; M60-P404 HydrophobicContact CG-CG 4.29Å; M60-P404 HydrophobicContact SD-CB 4.25Å; M60-P404 HydrophobicContact SD-CG 3.58Å; M60-P404 VanDerWaalsContact SD-CG 3.58Å
61	R	92.7	Very high	92.4	Very high	86 Å²	86	45.1 Å²	45.1	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-81.6	-19	176.9	-67.4	175.5	-169.2	119.9	-1.5	112.3	K33 E39 M57 E58 A59 W274	K33-R61 HydrophobicContact CB-CG 4.06Å; K33-R61 HydrophobicContact CD-CB 4.25Å; K33-R61 VanDerWaalsContact CD-O 3.27Å; K33-R61 WeakPolarHBondContact CD-O 3.41Å; K33-R61 WeakPolarHBondContact CE-O 3.16Å; K33-R61 PolarHBondContact NZ-O 3.44Å; K33-R61 PolarHBondContact O-NE 2.96Å; E39-R61 IonicContact OE1-NH2 3.31Å; E39-R61 PolarHBondContact OE1-NH2 3.07Å; M57-R61 VanDerWaalsContact O-CG 3.3Å; M57-R61 WeakPolarHBondContact O-CG 3.21Å; M57-R61 PolarHBondContact O-N 3.1Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 3.48Å; A59-R61 PolarHBondContact O-N 2.9Å; R61-W274 HydrophobicContact CG-CH2 4Å; R61-W274 HydrophobicContact CG-CZ2 3.99Å
62	E	90.8	Very high	91.1	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	23%	0.23	S	C	.	.	S	Bend	trans	-82.8	143.9	178	-69.8	-168.9	155.9	0	0	113.2	E58 A59 R268	E58-E62 PolarHBondContact O-N 3.09Å; E58-E62 VanDerWaalsContact O-N 3.17Å; A59-E62 PolarHBondContact O-N 3.42Å; A59-E62 VanDerWaalsContact O-N 3.14Å; E62-R268 WeakPolarHBondContact O-CB 3.42Å; E62-R268 PolarHBondContact O-NE 3.28Å
63	P	88.9	Confident	89.3	Confident	95 Å²	95	42.8 Å²	42.8	62%	0.617	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-63.8	150.1	174	29.4	-34.4	0	0	0	111.2	R268	P63-R268 PolarHBondContact O-NH2 2.81Å
64	L	90.3	Very high	87.6	Confident	42 Å²	42	44.1 Å²	44.1	22%	0.22	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-67.7	146.1	175.6	-73.9	173.8	0	0	0	112.2	E152 R268 K269 T409	L64-E152 HydrophobicContact CD1-CG 4.28Å; L64-E152 WeakPolarHBondContact CD1-OE1 3.49Å; L64-R268 HydrophobicContact CD1-CB 4.42Å; L64-R268 HydrophobicContact CD2-CB 4Å; L64-R268 HydrophobicContact CG-CB 3.7Å; L64-K269 HydrophobicContact CD1-CB 3.93Å; L64-T409 VanDerWaalsContact CD2-C 3.44Å
65	P	89.3	Confident	86	Confident	16 Å²	16	40.1 Å²	40.1	10%	0.104	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-61.7	143.8	165.2	26.4	-33	0	0	0	110.9	T67 H118 N120 N408	P65-T67 PolarHBondContact O-N 3.03Å; P65-T67 PolarHBondContact O-OG1 3.28Å; P65-H118 HydrophobicContact CB-CB 4.33Å; P65-N120 WeakPolarHBondContact CB-OD1 3.32Å; P65-N408 WeakPolarHBondContact CD-O 3.18Å; P65-N408 VanDerWaalsContact CG-O 3.28Å; P65-N408 WeakPolarHBondContact CG-O 3.38Å
66	A	89.3	Confident	84.9	Confident	55 Å²	55	35.1 Å²	35.1	46%	0.455	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.3	172	0	0	0	0	0	109	H118 T119	A66-H118 CarbonylContact O-C 3.59Å; A66-H118 VanDerWaalsContact O-CA 3.29Å; A66-H118 WeakPolarHBondContact O-CA 3.22Å; A66-T119 HydrophobicContact CB-CG2 4.04Å; A66-T119 PolarHBondContact N-O 2.96Å; A66-T119 PolarHBondContact O-N 2.97Å
67	T	92.5	Very high	84.1	Confident	14 Å²	14	35.7 Å²	35.7	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.7	-177.9	-52.3	0	0	0	0	110.4	P65 L108 W117 Q151 A153 M156	P65-T67 PolarHBondContact O-N 3.03Å; P65-T67 PolarHBondContact O-OG1 3.28Å; T67-L108 HydrophobicContact CG2-CD1 3.81Å; T67-W117 CarbonylContact C-O 3.58Å; T67-W117 WeakPolarHBondContact CA-O 3.06Å; T67-W117 WeakPolarHBondContact CG2-O 3.3Å; T67-Q151 WeakPolarHBondContact CB-O 3.33Å; T67-Q151 WeakPolarHBondContact CG2-O 3.37Å; T67-A153 HydrophobicContact CG2-CB 4.34Å; T67-M156 HydrophobicContact CG2-CE 3.43Å; T67-M156 VanDerWaalsContact CG2-CE 3.43Å
68	I	91.9	Very high	83.4	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.5	176.3	61.7	173	0	0	0	109.9	A116 W117 L139 I148 R150	I68-A116 CarbonylContact O-C 3.58Å; I68-A116 WeakPolarHBondContact O-CA 3.19Å; I68-W117 HydrophobicContact CD1-CB 4.36Å; I68-W117 HydrophobicContact CG1-CB 3.91Å; I68-W117 PolarHBondContact N-O 3.43Å; I68-W117 PolarHBondContact O-N 3.38Å; I68-L139 HydrophobicContact CD1-CD2 3.81Å; I68-L139 HydrophobicContact CG2-CD1 4.47Å; I68-L139 HydrophobicContact CG2-CD2 4.33Å; I68-I148 HydrophobicContact CB-CG2 4.1Å; I68-I148 HydrophobicContact CG2-CG2 4.44Å; I68-R150 HydrophobicContact CG2-CG 4.46Å
69	R	92.3	Very high	82.7	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.8	177.8	-171.3	172.5	73.6	82.3	10.3	108.3	Y111 A116 I148 S149 M156 E186	R69-Y111 WeakPolarHBondContact CD-OH 3.46Å; R69-Y111 HydrophobicContact CG-CE2 4.28Å; R69-Y111 PolarHBondContact NH1-OH 3.27Å; R69-A116 HydrophobicContact CG-CB 4.39Å; R69-I148 CarbonylContact O-C 3.19Å; R69-I148 WeakPolarHBondContact O-CA 3.44Å; R69-S149 PolarHBondContact N-O 3.49Å; R69-S149 PolarHBondContact O-N 3.46Å; R69-M156 HydrophobicContact CB-CE 3.84Å; R69-M156 HydrophobicContact CB-SD 4.43Å; R69-M156 HydrophobicContact CG-CE 4.4Å; R69-M156 HydrophobicContact CG-SD 4.36Å; R69-E186 IonicContact CZ-OE1 2.66Å; R69-E186 IonicContact CZ-OE2 2.96Å; R69-E186 IonicContact NH1-OE1 3.46Å; R69-E186 IonicContact NH1-OE2 3.44Å; R69-E186 PolarHBondContact NH1-OE2 2.88Å; R69-E186 IonicContact NH2-OE1 3.42Å; R69-E186 PolarHBondContact NH2-OE1 2.99Å; R69-E186 IonicContact NH2-OE2 3.59Å; R69-E186 PolarHBondContact NH2-OE2 3.33Å
70	I	90.4	Very high	82.3	Confident	2 Å²	2	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.1	172.3	-57.4	173.7	0	0	0	106.7	G72 A77 I80 L81 L84 Q115	I70-G72 PolarHBondContact O-N 3.19Å; I70-A77 HydrophobicContact CG2-CB 4.1Å; I70-I80 HydrophobicContact CD1-CG2 4.4Å; I70-I80 HydrophobicContact CG2-CG2 4.34Å; I70-L81 HydrophobicContact CD1-CB 3.83Å; I70-L81 HydrophobicContact CD1-CD1 3.69Å; I70-L81 HydrophobicContact CD1-CG 4.33Å; I70-L84 HydrophobicContact CD1-CD1 3.82Å; I70-L84 HydrophobicContact CG1-CD1 4.22Å; I70-Q115 HydrophobicContact CB-CB 4.5Å; I70-Q115 PolarHBondContact N-O 2.86Å
71	T	83.3	Confident	82	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.037	22%	0.22	C	C	.	.			trans	-70.8	120.2	-179.9	-76.7	0	0	0	0	109.1	Y73 G146 N147 S149 E186 L221	T71-Y73 VanDerWaalsContact C-N 3.27Å; T71-Y73 PolarHBondContact O-N 3.43Å; T71-Y73 VanDerWaalsContact O-N 3.16Å; T71-G146 WeakPolarHBondContact CB-O 3.48Å; T71-G146 WeakPolarHBondContact CG2-O 3.4Å; T71-G146 PolarHBondContact OG1-O 3.49Å; T71-N147 PolarHBondContact N-O 3.17Å; T71-S149 PolarHBondContact OG1-OG 2.61Å; T71-E186 VanDerWaalsContact CA-OE2 3.3Å; T71-E186 WeakPolarHBondContact CA-OE2 3.29Å; T71-E186 VanDerWaalsContact CG2-CD 3.42Å; T71-E186 HydrophobicContact CG2-CG 3.63Å; T71-E186 WeakPolarHBondContact CG2-OE1 3.47Å; T71-E186 PolarHBondContact OG1-OE1 3.08Å; T71-L221 HydrophobicContact CG2-CD2 3.42Å; T71-L221 VanDerWaalsContact CG2-CD2 3.42Å
72	G	65	Low	81.6	Confident	25 Å²	25	43 Å²	43	26%	0.258	23%	0.232	S	C	.	.	S	Bend	trans	-77.3	5.3	-164.1	0	0	0	0	0	116.8	I70 E186	I70-G72 PolarHBondContact O-N 3.19Å; G72-E186 PolarHBondContact N-OE2 2.87Å
73	Y	59.4	Low	81.2	Confident	56 Å²	56	40 Å²	40	22%	0.22	22%	0.22	C	C	.	.			trans	-112.8	91.4	178.5	-163.5	-126.6	0	0	0	111.1	T71 H189 M192	T71-Y73 VanDerWaalsContact C-N 3.27Å; T71-Y73 PolarHBondContact O-N 3.43Å; T71-Y73 VanDerWaalsContact O-N 3.16Å; Y73-H189 HydrophobicContact CD1-CB 3.71Å; Y73-H189 AromaticContact CD1-CG 3.99Å; Y73-H189 HydrophobicContact CD2-CB 3.49Å; Y73-H189 VanDerWaalsContact CD2-CB 3.49Å; Y73-H189 WeakPolarHBondContact CD2-O 3.44Å; Y73-H189 HydrophobicContact CE1-CB 3.69Å; Y73-H189 AromaticContact CE1-CG 3.65Å; Y73-H189 AromaticContact CE1-ND1 3.26Å; Y73-H189 VanDerWaalsContact CE1-ND1 3.26Å; Y73-H189 WeakPolarHBondContact CE1-ND1 3.36Å; Y73-H189 HydrophobicContact CE2-CB 3.56Å; Y73-H189 WeakPolarHBondContact CE2-O 3.48Å; Y73-H189 HydrophobicContact CG-CB 3.55Å; Y73-H189 AromaticContact CZ-CG 3.75Å; Y73-H189 AromaticContact CZ-ND1 3.27Å; Y73-H189 VanDerWaalsContact CZ-ND1 3.27Å; Y73-H189 PolarHBondContact OH-ND1 3.27Å; Y73-H189 VanDerWaalsContact OH-ND1 3.1Å; Y73-M192 HydrophobicContact CD2-SD 3.49Å; Y73-M192 WeakPolarHBondContact CD2-SD 3.33Å; Y73-M192 HydrophobicContact CE2-CE 4.22Å; Y73-M192 HydrophobicContact CE2-SD 3.3Å; Y73-M192 WeakPolarHBondContact CE2-SD 3.31Å
74	K	58.9	Low	81.1	Confident	57 Å²	57	35.5 Å²	35.5	25%	0.248	19%	0.191	C	C	.	.	S	Bend	trans	174.1	146.8	160.1	-92	142.4	-171.4	175.7	0	107.4	H76 A77 N147	K74-H76 HydrophobicContact CB-CB 3.86Å; K74-H76 PolarHBondContact O-N 3.05Å; K74-A77 WeakPolarHBondContact O-CB 3.32Å; K74-A77 PolarHBondContact O-N 3.26Å; K74-N147 PolarHBondContact NZ-OD1 2.97Å
75	S	61.7	Low	80.8	Confident	44 Å²	44	36.6 Å²	36.6	31%	0.308	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-33.3	158.5	44.2	0	0	0	0	111.5	A77 C663	S75-A77 VanDerWaalsContact C-N 3.29Å; S75-A77 PolarHBondContact O-N 3.14Å; S75-C663 VanDerWaalsContact CB-CB 3.45Å; S75-C663 WeakPolarHBondContact OG-CB 3.34Å
76	H	72.8	Confident	80.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-17.8	-179.7	-52.1	-174.2	0	0	0	115.3	K74 K78 E79 I80 C663 H687 Y688	K74-H76 HydrophobicContact CB-CB 3.86Å; K74-H76 PolarHBondContact O-N 3.05Å; H76-K78 VanDerWaalsContact C-N 3.25Å; H76-K78 PolarHBondContact O-N 2.69Å; H76-E79 PolarHBondContact O-N 3.41Å; H76-I80 VanDerWaalsContact O-CG1 3.31Å; H76-I80 WeakPolarHBondContact O-CG1 3.47Å; H76-I80 PolarHBondContact O-N 3.26Å; H76-C663 VanDerWaalsContact CD2-CB 3.46Å; H76-C663 WeakPolarHBondContact CD2-CB 3.4Å; H76-C663 PolarHBondContact CD2-SG 3.44Å; H76-H687 AromaticContact CE1-NE2 3.89Å; H76-H687 AromaticContact CG-NE2 3.93Å; H76-H687 AromaticContact ND1-CD2 3.99Å; H76-H687 AromaticContact ND1-CE1 3.96Å; H76-H687 AromaticContact ND1-NE2 3Å; H76-H687 PolarHBondContact ND1-NE2 2.69Å; H76-Y688 AromaticContact CE1-CE1 3.86Å
77	A	80.4	Confident	80.2	Confident	12 Å²	12	40.7 Å²	40.7	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-37.6	-175.8	0	0	0	0	0	111.4	I70 K74 S75 I80 L81	I70-A77 HydrophobicContact CG2-CB 4.1Å; K74-A77 WeakPolarHBondContact O-CB 3.32Å; K74-A77 PolarHBondContact O-N 3.26Å; S75-A77 VanDerWaalsContact C-N 3.29Å; S75-A77 PolarHBondContact O-N 3.14Å; A77-I80 PolarHBondContact O-N 2.96Å; A77-L81 WeakPolarHBondContact O-CB 3.36Å; A77-L81 PolarHBondContact O-N 3.13Å
78	K	80.3	Confident	79.7	Confident	168 Å²	168	40.4 Å²	40.4	73%	0.73	20%	0.199	S	C	*	.	H	α-helix	trans	-65.7	-41.3	176	-67.7	-178.7	179.7	178.2	0	111.2	H76 L81 H82	H76-K78 VanDerWaalsContact C-N 3.25Å; H76-K78 PolarHBondContact O-N 2.69Å; K78-L81 PolarHBondContact O-N 3.08Å; K78-H82 VanDerWaalsContact O-CB 3.3Å; K78-H82 WeakPolarHBondContact O-CB 3.46Å; K78-H82 PolarHBondContact O-N 2.91Å
79	E	79.6	Confident	79.4	Confident	44 Å²	44	40.3 Å²	40.3	21%	0.206	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-38.8	179.3	-77.7	79	159.6	0	0	111.4	H76 H82 C83 L691	H76-E79 PolarHBondContact O-N 3.41Å; E79-H82 PolarHBondContact O-N 2.89Å; E79-C83 VanDerWaalsContact O-CB 3.27Å; E79-C83 WeakPolarHBondContact O-CB 3.4Å; E79-C83 PolarHBondContact O-N 2.91Å; E79-L691 HydrophobicContact CB-CD2 3.83Å
80	I	85.1	Confident	79	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-46.3	172.9	-68.4	171.5	0	0	0	110.2	I70 H76 A77 H82 C83 L84 F138 N147 I148	I70-I80 HydrophobicContact CD1-CG2 4.4Å; I70-I80 HydrophobicContact CG2-CG2 4.34Å; H76-I80 VanDerWaalsContact O-CG1 3.31Å; H76-I80 WeakPolarHBondContact O-CG1 3.47Å; H76-I80 PolarHBondContact O-N 3.26Å; A77-I80 PolarHBondContact O-N 2.96Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 3.42Å; I80-C83 PolarHBondContact O-N 2.75Å; I80-L84 HydrophobicContact CG2-CD1 4.06Å; I80-L84 HydrophobicContact CG2-CG 4.49Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.11Å; I80-F138 HydrophobicContact CG2-CZ 4.36Å; I80-N147 HydrophobicContact CD1-CB 3.53Å; I80-I148 HydrophobicContact CG2-CD1 4.26Å; I80-I148 HydrophobicContact CG2-CG1 4.43Å
81	L	86.6	Confident	78.5	Confident	27 Å²	27	48 Å²	48	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-43.6	177.6	-178.7	62.2	0	0	0	111.3	I70 A77 K78 L84 K85 W117	I70-L81 HydrophobicContact CD1-CB 3.83Å; I70-L81 HydrophobicContact CD1-CD1 3.69Å; I70-L81 HydrophobicContact CD1-CG 4.33Å; A77-L81 WeakPolarHBondContact O-CB 3.36Å; A77-L81 PolarHBondContact O-N 3.13Å; K78-L81 PolarHBondContact O-N 3.08Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-K85 HydrophobicContact CD1-CD 4.4Å; L81-K85 HydrophobicContact CD1-CG 4.44Å; L81-K85 HydrophobicContact CG-CD 4.38Å; L81-K85 WeakPolarHBondContact O-CG 3.17Å; L81-K85 PolarHBondContact O-N 3.13Å; L81-W117 HydrophobicContact CD1-CZ2 4.01Å
82	H	84.3	Confident	78.4	Confident	123 Å²	123	47.7 Å²	47.7	57%	0.569	23%	0.233	S	C	*	.	H	α-helix	trans	-60.4	-47.7	175	-178.9	73.9	0	0	0	111.3	K78 E79 I80 L84 K85 E86	K78-H82 VanDerWaalsContact O-CB 3.3Å; K78-H82 WeakPolarHBondContact O-CB 3.46Å; K78-H82 PolarHBondContact O-N 2.91Å; E79-H82 PolarHBondContact O-N 2.89Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 3.42Å; H82-L84 PolarHBondContact O-N 3.27Å; H82-K85 PolarHBondContact O-N 3.02Å; H82-E86 VanDerWaalsContact CE1-CG 3.45Å; H82-E86 WeakPolarHBondContact CE1-CG 3.45Å; H82-E86 VanDerWaalsContact O-CB 3.32Å; H82-E86 WeakPolarHBondContact O-CB 3.45Å; H82-E86 WeakPolarHBondContact O-CG 3.18Å; H82-E86 PolarHBondContact O-N 2.92Å
83	C	83	Confident	79.1	Confident	30 Å²	30	51.8 Å²	51.8	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-43.3	176.3	-174	0	0	0	0	112	E79 I80 K87	E79-C83 VanDerWaalsContact O-CB 3.27Å; E79-C83 WeakPolarHBondContact O-CB 3.4Å; E79-C83 PolarHBondContact O-N 2.91Å; I80-C83 PolarHBondContact O-N 2.75Å; C83-K87 WeakPolarHBondContact O-CB 3.19Å; C83-K87 PolarHBondContact O-N 3.42Å
84	L	86	Confident	79.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-58.5	-51.7	176	-83	171.2	0	0	0	111.7	I70 I80 L81 H82 Y88 F89 F135 F138 I148	I70-L84 HydrophobicContact CD1-CD1 3.82Å; I70-L84 HydrophobicContact CG1-CD1 4.22Å; I80-L84 HydrophobicContact CG2-CD1 4.06Å; I80-L84 HydrophobicContact CG2-CG 4.49Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.11Å; L81-L84 PolarHBondContact O-N 3.48Å; H82-L84 PolarHBondContact O-N 3.27Å; L84-Y88 PolarHBondContact O-N 3.48Å; L84-Y88 VanDerWaalsContact O-N 3.17Å; L84-F89 HydrophobicContact CB-CE1 4.34Å; L84-F89 HydrophobicContact CB-CE2 4.08Å; L84-F89 HydrophobicContact CB-CZ 3.91Å; L84-F89 HydrophobicContact CD2-CE1 3.98Å; L84-F89 HydrophobicContact CD2-CZ 4.04Å; L84-F89 HydrophobicContact CG-CZ 4.4Å; L84-F89 WeakPolarHBondContact O-CD1 3.27Å; L84-F89 VanDerWaalsContact O-CG 3.29Å; L84-F89 WeakPolarHBondContact O-CG 3.27Å; L84-F89 PolarHBondContact O-N 3.41Å; L84-F135 HydrophobicContact CD2-CE2 3.72Å; L84-F138 HydrophobicContact CD2-CD1 4.15Å; L84-F138 HydrophobicContact CD2-CE1 3.48Å; L84-F138 VanDerWaalsContact CD2-CE1 3.48Å; L84-F138 HydrophobicContact CD2-CZ 4.16Å; L84-F138 HydrophobicContact CG-CE1 3.98Å; L84-F138 HydrophobicContact CG-CZ 4.22Å; L84-I148 HydrophobicContact CD1-CD1 4.36Å
85	K	85.7	Confident	80.9	Confident	66 Å²	66	55.8 Å²	55.8	29%	0.287	27%	0.268	S	S	.	.	I	π-helix	trans	-65.7	-53.6	-178.1	-73.2	-179.2	174.3	-175.8	0	112.5	L81 H82 F89 K90 E114 W117	L81-K85 HydrophobicContact CD1-CD 4.4Å; L81-K85 HydrophobicContact CD1-CG 4.44Å; L81-K85 HydrophobicContact CG-CD 4.38Å; L81-K85 WeakPolarHBondContact O-CG 3.17Å; L81-K85 PolarHBondContact O-N 3.13Å; H82-K85 PolarHBondContact O-N 3.02Å; K85-F89 HydrophobicContact CG-CD2 4.12Å; K85-F89 HydrophobicContact CG-CE2 4.44Å; K85-K90 PolarHBondContact O-N 2.88Å; K85-E114 VanDerWaalsContact CE-OE2 3.3Å; K85-E114 WeakPolarHBondContact CE-OE2 3.37Å; K85-E114 IonicContact NZ-OE2 3.52Å; K85-E114 PolarHBondContact NZ-OE2 3.23Å; K85-W117 VanDerWaalsContact CE-CZ2 3.42Å; K85-W117 HydrophobicContact CG-CH2 4.37Å; K85-W117 HydrophobicContact CG-CZ2 4.42Å
86	E	83.1	Confident	81.6	Confident	85 Å²	85	60.3 Å²	60.3	40%	0.397	28%	0.284	S	S	.	.	I	π-helix	trans	-77.5	-35	-169.2	-67.7	-61.8	121.9	0	0	113.1	H82 K90	H82-E86 VanDerWaalsContact CE1-CG 3.45Å; H82-E86 WeakPolarHBondContact CE1-CG 3.45Å; H82-E86 VanDerWaalsContact O-CB 3.32Å; H82-E86 WeakPolarHBondContact O-CB 3.45Å; H82-E86 WeakPolarHBondContact O-CG 3.18Å; H82-E86 PolarHBondContact O-N 2.92Å; E86-K90 VanDerWaalsContact OE1-CE 3.29Å; E86-K90 WeakPolarHBondContact OE1-CE 3.32Å; E86-K90 IonicContact OE1-NZ 2.6Å; E86-K90 PolarHBondContact OE1-NZ 3.46Å; E86-K90 WeakPolarHBondContact OE2-CE 3.41Å; E86-K90 IonicContact OE2-NZ 2.83Å; E86-K90 PolarHBondContact OE2-NZ 2.8Å
87	K	81.3	Confident	81.7	Confident	71 Å²	71	61.3 Å²	61.3	31%	0.309	29%	0.289	S	S	.	.	I	π-helix	trans	-98.3	-46.6	-175	-171.1	177.3	-179.4	169.9	0	112.8	C83 D91 E695	C83-K87 WeakPolarHBondContact O-CB 3.19Å; C83-K87 PolarHBondContact O-N 3.42Å; K87-D91 WeakPolarHBondContact O-CB 3.4Å; K87-E695 WeakPolarHBondContact CE-OE1 3.49Å; K87-E695 IonicContact NZ-OE1 3.5Å; K87-E695 PolarHBondContact NZ-OE1 3.38Å
88	Y	83.4	Confident	81.2	Confident	8 Å²	8	66.1 Å²	66.1	3%	0.031	31%	0.313	C	S	.	.	I	π-helix	trans	-94.7	-46.3	-172	-66.6	-77.5	0	0	0	112	L84 I92 F135 F138	L84-Y88 PolarHBondContact O-N 3.48Å; L84-Y88 VanDerWaalsContact O-N 3.17Å; Y88-I92 WeakPolarHBondContact O-CB 3.33Å; Y88-I92 WeakPolarHBondContact O-CD1 2.98Å; Y88-I92 WeakPolarHBondContact O-CG1 3.4Å; Y88-I92 PolarHBondContact O-N 3.41Å; Y88-F135 HydrophobicContact CD1-CB 3.89Å; Y88-F135 AromaticContact CD1-CD2 3.74Å; Y88-F135 HydrophobicContact CD1-CD2 3.74Å; Y88-F135 HydrophobicContact CD1-CG 4.27Å; Y88-F135 HydrophobicContact CD2-CD2 4.43Å; Y88-F135 HydrophobicContact CE1-CB 4.31Å; Y88-F135 HydrophobicContact CE1-CD2 4.46Å; Y88-F135 AromaticContact CG-CD2 3.71Å; Y88-F135 HydrophobicContact CG-CD2 3.71Å; Y88-F135 HydrophobicContact CG-CE2 4.39Å; Y88-F138 HydrophobicContact CE1-CB 4.41Å; Y88-F138 HydrophobicContact CE2-CB 4.34Å; Y88-F138 HydrophobicContact CE2-CD1 4.32Å; Y88-F138 AromaticContact CE2-CD2 3.68Å; Y88-F138 HydrophobicContact CE2-CD2 3.68Å; Y88-F138 HydrophobicContact CE2-CE2 4.04Å; Y88-F138 AromaticContact CE2-CG 3.85Å; Y88-F138 HydrophobicContact CE2-CG 3.85Å; Y88-F138 AromaticContact CZ-CD2 3.92Å; Y88-F138 AromaticContact CZ-CG 3.93Å
89	F	85.4	Confident	80.7	Confident	14 Å²	14	63.9 Å²	63.9	6%	0.061	32%	0.319	C	S	.	.	I	π-helix	trans	-72.4	-39.5	-173.2	-60.6	-13.2	0	0	0	112.7	L84 K85 I92 Q93 P105 W117 F135	L84-F89 HydrophobicContact CB-CE1 4.34Å; L84-F89 HydrophobicContact CB-CE2 4.08Å; L84-F89 HydrophobicContact CB-CZ 3.91Å; L84-F89 HydrophobicContact CD2-CE1 3.98Å; L84-F89 HydrophobicContact CD2-CZ 4.04Å; L84-F89 HydrophobicContact CG-CZ 4.4Å; L84-F89 WeakPolarHBondContact O-CD1 3.27Å; L84-F89 VanDerWaalsContact O-CG 3.29Å; L84-F89 WeakPolarHBondContact O-CG 3.27Å; L84-F89 PolarHBondContact O-N 3.41Å; K85-F89 HydrophobicContact CG-CD2 4.12Å; K85-F89 HydrophobicContact CG-CE2 4.44Å; F89-I92 PolarHBondContact O-N 2.9Å; F89-Q93 WeakPolarHBondContact O-CB 3.43Å; F89-Q93 PolarHBondContact O-N 3.33Å; F89-P105 HydrophobicContact CD1-CB 4.22Å; F89-P105 HydrophobicContact CD1-CG 3.81Å; F89-P105 HydrophobicContact CE1-CB 3.78Å; F89-P105 HydrophobicContact CE1-CG 3.55Å; F89-P105 HydrophobicContact CE2-CB 4.42Å; F89-P105 HydrophobicContact CZ-CB 3.88Å; F89-P105 HydrophobicContact CZ-CG 4.19Å; F89-W117 HydrophobicContact CD2-CE3 4.08Å; F89-W117 HydrophobicContact CD2-CH2 4.22Å; F89-W117 AromaticContact CD2-CZ3 3.81Å; F89-W117 HydrophobicContact CD2-CZ3 3.81Å; F89-W117 AromaticContact CE2-CD2 3.66Å; F89-W117 HydrophobicContact CE2-CD2 3.66Å; F89-W117 AromaticContact CE2-CE2 3.98Å; F89-W117 AromaticContact CE2-CE3 3.4Å; F89-W117 HydrophobicContact CE2-CE3 3.4Å; F89-W117 VanDerWaalsContact CE2-CE3 3.4Å; F89-W117 HydrophobicContact CE2-CG 4.41Å; F89-W117 AromaticContact CE2-CH2 3.97Å; F89-W117 HydrophobicContact CE2-CH2 3.97Å; F89-W117 HydrophobicContact CE2-CZ2 4.17Å; F89-W117 AromaticContact CE2-CZ3 3.55Å; F89-W117 HydrophobicContact CE2-CZ3 3.55Å; F89-W117 HydrophobicContact CZ-CD2 4.12Å; F89-W117 HydrophobicContact CZ-CE3 4.04Å; F89-W117 HydrophobicContact CZ-CG 4.45Å; F89-F135 AromaticContact CE1-CE2 4Å; F89-F135 HydrophobicContact CE1-CE2 4Å; F89-F135 AromaticContact CE1-CZ 3.99Å; F89-F135 HydrophobicContact CE1-CZ 3.99Å
90	K	82.8	Confident	80.3	Confident	91 Å²	91	68.8 Å²	68.8	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-51.4	172.8	-74.2	-176.7	-177.8	-179.3	0	111.6	K85 E86 I92 Q93 E94	K85-K90 PolarHBondContact O-N 2.88Å; E86-K90 VanDerWaalsContact OE1-CE 3.29Å; E86-K90 WeakPolarHBondContact OE1-CE 3.32Å; E86-K90 IonicContact OE1-NZ 2.6Å; E86-K90 PolarHBondContact OE1-NZ 3.46Å; E86-K90 WeakPolarHBondContact OE2-CE 3.41Å; E86-K90 IonicContact OE2-NZ 2.83Å; E86-K90 PolarHBondContact OE2-NZ 2.8Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 2.84Å; K90-Q93 WeakPolarHBondContact O-CB 3.17Å; K90-Q93 PolarHBondContact O-N 2.89Å; K90-Q93 VanDerWaalsContact O-N 3.14Å; K90-E94 PolarHBondContact O-N 2.94Å
91	D	80.5	Confident	79.8	Confident	73 Å²	73	75.3 Å²	75.3	39%	0.39	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-36.9	178.6	-69.3	6.4	0	0	0	112.8	K87 L95 L131	K87-D91 WeakPolarHBondContact O-CB 3.4Å; D91-L95 PolarHBondContact O-N 2.83Å; D91-L131 HydrophobicContact CB-CD1 3.64Å; D91-L131 HydrophobicContact CB-CD2 4.09Å; D91-L131 HydrophobicContact CB-CG 4.43Å
92	I	81.6	Confident	79.4	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-70.7	-36.4	177	-69.4	166.4	0	0	0	111.3	Y88 F89 K90 E94 L95 I102 A104 M121 L131 L132 F135	Y88-I92 WeakPolarHBondContact O-CB 3.33Å; Y88-I92 WeakPolarHBondContact O-CD1 2.98Å; Y88-I92 WeakPolarHBondContact O-CG1 3.4Å; Y88-I92 PolarHBondContact O-N 3.41Å; F89-I92 PolarHBondContact O-N 2.9Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 2.84Å; I92-E94 PolarHBondContact O-N 2.91Å; I92-L95 WeakPolarHBondContact O-CB 3.29Å; I92-L95 PolarHBondContact O-N 3.45Å; I92-L95 VanDerWaalsContact O-N 3.12Å; I92-I102 HydrophobicContact CG2-CG2 4.23Å; I92-A104 HydrophobicContact CG2-CB 4.31Å; I92-M121 HydrophobicContact CD1-CE 4.36Å; I92-M121 HydrophobicContact CG2-SD 4.43Å; I92-L131 HydrophobicContact CG1-CD2 3.61Å; I92-L132 HydrophobicContact CD1-CD2 4.1Å; I92-L132 HydrophobicContact CG1-CD2 3.91Å; I92-F135 HydrophobicContact CD1-CB 4.5Å; I92-F135 HydrophobicContact CD1-CD1 4.03Å; I92-F135 HydrophobicContact CD1-CD2 4.46Å; I92-F135 HydrophobicContact CD1-CE1 4.37Å; I92-F135 HydrophobicContact CD1-CG 4.08Å
93	Q	79.6	Confident	79.1	Confident	111 Å²	111	73.8 Å²	73.8	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-28.3	-179.2	-171.1	175.4	16.8	0	0	112.7	F89 K90 K101 A104	F89-Q93 WeakPolarHBondContact O-CB 3.43Å; F89-Q93 PolarHBondContact O-N 3.33Å; K90-Q93 WeakPolarHBondContact O-CB 3.17Å; K90-Q93 PolarHBondContact O-N 2.89Å; K90-Q93 VanDerWaalsContact O-N 3.14Å; Q93-K101 WeakPolarHBondContact O-CE 3.39Å; Q93-A104 HydrophobicContact CB-CB 4.16Å
94	E	75.9	Confident	79.1	Confident	162 Å²	162	73 Å²	73	76%	0.757	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.2	176.8	-63.9	-178.6	-179.3	0	0	113	K90 I92	K90-E94 PolarHBondContact O-N 2.94Å; I92-E94 PolarHBondContact O-N 2.91Å
95	L	78.9	Confident	79.2	Confident	35 Å²	35	73.2 Å²	73.2	18%	0.183	36%	0.36	C	S	.	.			trans	-84.3	126	-175	-171.4	65.7	0	0	0	112.2	D91 I92 I97 I102 L132	D91-L95 PolarHBondContact O-N 2.83Å; I92-L95 WeakPolarHBondContact O-CB 3.29Å; I92-L95 PolarHBondContact O-N 3.45Å; I92-L95 VanDerWaalsContact O-N 3.12Å; L95-I97 HydrophobicContact CD2-CD1 4.19Å; L95-I97 HydrophobicContact CD2-CG1 4.4Å; L95-I97 HydrophobicContact CG-CG1 4.27Å; L95-I102 HydrophobicContact CD2-CD1 3.89Å; L95-I102 HydrophobicContact CG-CD1 4.17Å; L95-I102 PolarHBondContact O-N 2.91Å; L95-L132 HydrophobicContact CD2-CD1 4.34Å; L95-L132 HydrophobicContact CD2-CD2 4.34Å; L95-L132 HydrophobicContact CD2-CG 4.04Å
96	E	77.2	Confident	79.5	Confident	138 Å²	138	74 Å²	74	65%	0.645	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.1	170.2	-64.9	-175.5	171.2	0	0	110
97	I	74	Confident	79.9	Confident	23 Å²	23	71.9 Å²	71.9	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.1	173.5	-64.9	179.1	0	0	0	107.7	L95 S99 Q100 I102 K128 L132	L95-I97 HydrophobicContact CD2-CD1 4.19Å; L95-I97 HydrophobicContact CD2-CG1 4.4Å; L95-I97 HydrophobicContact CG-CG1 4.27Å; I97-S99 PolarHBondContact O-N 2.82Å; I97-Q100 PolarHBondContact N-O 3.34Å; I97-Q100 VanDerWaalsContact N-O 3.11Å; I97-Q100 PolarHBondContact O-N 2.88Å; I97-I102 HydrophobicContact CB-CD1 4.23Å; I97-I102 HydrophobicContact CD1-CD1 3.47Å; I97-I102 VanDerWaalsContact CD1-CD1 3.47Å; I97-I102 HydrophobicContact CG1-CD1 3.76Å; I97-K128 HydrophobicContact CD1-CB 4.42Å; I97-K128 HydrophobicContact CG2-CB 4.45Å; I97-K128 HydrophobicContact CG2-CD 4.14Å; I97-L132 HydrophobicContact CD1-CD1 3.98Å
98	D	70.2	Confident	80.5	Confident	114 Å²	114	69 Å²	69	61%	0.61	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.8	178.6	-57	-31.4	0	0	0	113.6	Q100 K128	D98-Q100 PolarHBondContact O-N 2.77Å; D98-K128 IonicContact OD2-NZ 2.67Å; D98-K128 PolarHBondContact OD2-NZ 2.84Å
99	S	70.3	Confident	81	Confident	120 Å²	120	72.7 Å²	72.7	84%	0.839	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	17.1	-175.5	-44.6	0	0	0	0	115.2	I97	I97-S99 PolarHBondContact O-N 2.82Å
100	Q	71.5	Confident	81.4	Confident	148 Å²	148	72.5 Å²	72.5	69%	0.692	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.9	170.3	-70.1	-176.8	-7.5	0	0	110	I97 D98	I97-Q100 PolarHBondContact N-O 3.34Å; I97-Q100 VanDerWaalsContact N-O 3.11Å; I97-Q100 PolarHBondContact O-N 2.88Å; D98-Q100 PolarHBondContact O-N 2.77Å
101	K	74.2	Confident	81.8	Confident	142 Å²	142	68.9 Å²	68.9	62%	0.617	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.7	173.6	-170.5	171.4	-175.2	170.2	0	109.5	Q93	Q93-K101 WeakPolarHBondContact O-CE 3.39Å
102	I	77.8	Confident	82.2	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.082	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-80.3	133.6	178.8	-55.8	-176.9	0	0	0	109.4	I92 L95 I97 A104 M121 L132	I92-I102 HydrophobicContact CG2-CG2 4.23Å; L95-I102 HydrophobicContact CD2-CD1 3.89Å; L95-I102 HydrophobicContact CG-CD1 4.17Å; L95-I102 PolarHBondContact O-N 2.91Å; I97-I102 HydrophobicContact CB-CD1 4.23Å; I97-I102 HydrophobicContact CD1-CD1 3.47Å; I97-I102 VanDerWaalsContact CD1-CD1 3.47Å; I97-I102 HydrophobicContact CG1-CD1 3.76Å; I102-A104 PolarHBondContact O-N 3.35Å; I102-M121 HydrophobicContact CG2-CG 3.97Å; I102-M121 HydrophobicContact CG2-SD 4.15Å; I102-L132 HydrophobicContact CD1-CD1 3.92Å
103	E	79.8	Confident	82.4	Confident	102 Å²	102	74.3 Å²	74.3	48%	0.477	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-71.8	116.3	171.8	-166.9	-176.5	-173.6	0	0	109.9	N120	E103-N120 PolarHBondContact OE2-ND2 3.25Å
104	A	82.4	Confident	82.8	Confident	13 Å²	13	73.1 Å²	73.1	11%	0.107	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.1	149.8	173.4	0	0	0	0	0	110.6	I92 Q93 I102 Q106	I92-A104 HydrophobicContact CG2-CB 4.31Å; Q93-A104 HydrophobicContact CB-CB 4.16Å; I102-A104 PolarHBondContact O-N 3.35Å; A104-Q106 PolarHBondContact O-N 2.93Å; A104-Q106 PolarHBondContact O-NE2 3.36Å
105	P	88.4	Confident	83.5	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.032	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-51.6	136.5	174.9	-27.1	36.4	0	0	0	112.1	F89 W117 H118 M121 F135	F89-P105 HydrophobicContact CD1-CB 4.22Å; F89-P105 HydrophobicContact CD1-CG 3.81Å; F89-P105 HydrophobicContact CE1-CB 3.78Å; F89-P105 HydrophobicContact CE1-CG 3.55Å; F89-P105 HydrophobicContact CE2-CB 4.42Å; F89-P105 HydrophobicContact CZ-CB 3.88Å; F89-P105 HydrophobicContact CZ-CG 4.19Å; P105-W117 HydrophobicContact CB-CE3 4.26Å; P105-W117 WeakPolarHBondContact O-CZ3 3.42Å; P105-H118 CarbonylContact C-O 3.51Å; P105-H118 VanDerWaalsContact CA-O 3.29Å; P105-H118 WeakPolarHBondContact CA-O 3.3Å; P105-M121 HydrophobicContact CG-CE 3.87Å; P105-F135 HydrophobicContact CG-CZ 4.42Å
106	Q	90.4	Very high	84.1	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.1	-179.4	-62.6	-57.1	-49.1	0	0	110.4	A104 W117 H118	A104-Q106 PolarHBondContact O-N 2.93Å; A104-Q106 PolarHBondContact O-NE2 3.36Å; Q106-W117 CarbonylContact O-C 3.54Å; Q106-W117 VanDerWaalsContact O-CA 3.22Å; Q106-W117 WeakPolarHBondContact O-CA 3.35Å; Q106-H118 PolarHBondContact N-O 2.82Å; Q106-H118 PolarHBondContact O-CD2 3.47Å; Q106-H118 PolarHBondContact O-N 3.5Å
107	P	92.9	Very high	84.9	Confident	41 Å²	41	59.9 Å²	59.9	27%	0.266	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	143.8	176.2	30.3	-32	0	0	0	109.9	S109 E114 W117	P107-S109 PolarHBondContact O-N 3.39Å; P107-E114 HydrophobicContact CB-CB 4.32Å; P107-E114 HydrophobicContact CB-CG 4.24Å; P107-W117 HydrophobicContact CB-CD2 4.17Å; P107-W117 HydrophobicContact CB-CE3 4.17Å; P107-W117 HydrophobicContact CB-CH2 3.94Å; P107-W117 HydrophobicContact CB-CZ2 3.95Å; P107-W117 HydrophobicContact CB-CZ3 4.08Å; P107-W117 VanDerWaalsContact CD-CZ3 3.46Å; P107-W117 HydrophobicContact CG-CH2 4.1Å; P107-W117 HydrophobicContact CG-CZ3 4.14Å; P107-W117 VanDerWaalsContact N-CE3 3.31Å
108	L	93.8	Very high	85.7	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.063	32%	0.323	C	S	.	.			trans	-71.9	110.8	168.2	-69.4	177.2	0	0	0	108.4	T67 W110 Y111 A116 H118 A153 M156	T67-L108 HydrophobicContact CG2-CD1 3.81Å; L108-W110 HydrophobicContact CB-CZ2 4.36Å; L108-W110 HydrophobicContact CD1-CH2 3.94Å; L108-W110 HydrophobicContact CD1-CZ2 3.8Å; L108-W110 HydrophobicContact CD2-CZ2 4.32Å; L108-W110 HydrophobicContact CG-CZ2 4.41Å; L108-W110 PolarHBondContact O-N 3.2Å; L108-Y111 PolarHBondContact O-N 3.29Å; L108-A116 HydrophobicContact CB-CB 4.41Å; L108-A116 HydrophobicContact CD1-CB 3.81Å; L108-A116 HydrophobicContact CG-CB 4.4Å; L108-A116 PolarHBondContact N-O 2.86Å; L108-H118 HydrophobicContact CD2-CB 4.22Å; L108-A153 HydrophobicContact CD1-CB 3.98Å; L108-A153 HydrophobicContact CD2-CB 4.31Å; L108-M156 HydrophobicContact CD1-CE 4.5Å; L108-M156 HydrophobicContact CD1-SD 4.12Å
109	S	93.2	Very high	86.5	Confident	85 Å²	85	56.2 Å²	56.2	59%	0.594	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.4	-171.1	57.9	0	0	0	0	115	P107 G344	P107-S109 PolarHBondContact O-N 3.39Å; S109-G344 PolarHBondContact OG-O 3.19Å
110	W	93.4	Very high	87.1	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.038	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-6.4	-178.6	52.1	-100.9	0	0	0	114.4	L108 A153 M156 I157 L160 P343 L345	L108-W110 HydrophobicContact CB-CZ2 4.36Å; L108-W110 HydrophobicContact CD1-CH2 3.94Å; L108-W110 HydrophobicContact CD1-CZ2 3.8Å; L108-W110 HydrophobicContact CD2-CZ2 4.32Å; L108-W110 HydrophobicContact CG-CZ2 4.41Å; L108-W110 PolarHBondContact O-N 3.2Å; W110-A153 WeakPolarHBondContact CH2-O 3.35Å; W110-A153 HydrophobicContact CZ2-CB 4.07Å; W110-M156 HydrophobicContact CH2-CB 4.08Å; W110-M156 HydrophobicContact CH2-SD 4.42Å; W110-M156 HydrophobicContact CZ3-CB 4.21Å; W110-I157 HydrophobicContact CH2-CG1 4.11Å; W110-I157 HydrophobicContact CZ3-CG1 4.07Å; W110-L160 HydrophobicContact CE3-CD1 4.35Å; W110-L160 HydrophobicContact CZ3-CD1 4.06Å; W110-P343 VanDerWaalsContact CA-O 3.28Å; W110-P343 WeakPolarHBondContact CA-O 3.38Å; W110-L345 HydrophobicContact CB-CB 3.76Å; W110-L345 HydrophobicContact CD2-CD1 4.04Å; W110-L345 HydrophobicContact CG-CB 3.87Å; W110-L345 HydrophobicContact CG-CD1 3.92Å; W110-L345 HydrophobicContact CG-CG 4.49Å
111	Y	92.9	Very high	87.4	Confident	15 Å²	15	48.1 Å²	48.1	6%	0.059	25%	0.25	C	S	.	.	S	Bend	trans	-86.3	129.1	176.9	-161.3	-75.9	0	0	0	109.4	R69 L108 Q115 A116 M156 L160	R69-Y111 WeakPolarHBondContact CD-OH 3.46Å; R69-Y111 HydrophobicContact CG-CE2 4.28Å; R69-Y111 PolarHBondContact NH1-OH 3.27Å; L108-Y111 PolarHBondContact O-N 3.29Å; Y111-Q115 HydrophobicContact CD1-CB 3.94Å; Y111-Q115 HydrophobicContact CE1-CB 3.68Å; Y111-A116 HydrophobicContact CD1-CB 3.74Å; Y111-A116 HydrophobicContact CD2-CB 3.61Å; Y111-A116 HydrophobicContact CE1-CB 4.32Å; Y111-A116 HydrophobicContact CE2-CB 4.17Å; Y111-A116 HydrophobicContact CG-CB 3.39Å; Y111-M156 HydrophobicContact CD2-CB 4.16Å; Y111-M156 HydrophobicContact CD2-SD 3.65Å; Y111-M156 HydrophobicContact CE2-CB 3.93Å; Y111-M156 HydrophobicContact CE2-CG 4.23Å; Y111-M156 HydrophobicContact CE2-SD 3.67Å; Y111-L160 HydrophobicContact CD2-CD1 3.88Å; Y111-L160 HydrophobicContact CE2-CD1 3.95Å; Y111-L160 HydrophobicContact CE2-CD2 4.44Å; Y111-L160 HydrophobicContact CE2-CG 4.5Å
112	P	88.5	Confident	87.2	Confident	58 Å²	58	43.9 Å²	43.9	38%	0.377	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.9	149	-176.8	-26.4	34.4	0	0	0	114.4	E114 Q115 L160	P112-E114 PolarHBondContact O-N 3.36Å; P112-Q115 PolarHBondContact O-N 3.4Å; P112-Q115 VanDerWaalsContact O-N 3.15Å; P112-L160 HydrophobicContact CG-CD2 4.21Å
113	D	86.2	Confident	86.7	Confident	129 Å²	129	51.2 Å²	51.2	69%	0.69	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	53.9	22.4	171.9	-55.8	-44.1	0	0	0	115.5	Q115	D113-Q115 HydrophobicContact CB-CG 4.03Å; D113-Q115 PolarHBondContact O-N 3Å
114	E	87.6	Confident	86.1	Confident	85 Å²	85	54.6 Å²	54.6	40%	0.397	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	50.8	37.3	-174.8	-58.8	178.9	-162.2	0	0	112.8	K85 P107 P112 A116 W117	K85-E114 VanDerWaalsContact CE-OE2 3.3Å; K85-E114 WeakPolarHBondContact CE-OE2 3.37Å; K85-E114 IonicContact NZ-OE2 3.52Å; K85-E114 PolarHBondContact NZ-OE2 3.23Å; P107-E114 HydrophobicContact CB-CB 4.32Å; P107-E114 HydrophobicContact CB-CG 4.24Å; P112-E114 PolarHBondContact O-N 3.36Å; E114-A116 VanDerWaalsContact C-N 3.33Å; E114-W117 HydrophobicContact CB-CZ2 4.13Å; E114-W117 PolarHBondContact O-NE1 2.89Å
115	Q	89.5	Confident	85.5	Confident	42 Å²	42	56.6 Å²	56.6	20%	0.196	29%	0.287	C	S	.	.			trans	-83.6	-9	-179	-71	177.2	0.9	0	0	113.3	I70 Y111 P112 D113	I70-Q115 HydrophobicContact CB-CB 4.5Å; I70-Q115 PolarHBondContact N-O 2.86Å; Y111-Q115 HydrophobicContact CD1-CB 3.94Å; Y111-Q115 HydrophobicContact CE1-CB 3.68Å; P112-Q115 PolarHBondContact O-N 3.4Å; P112-Q115 VanDerWaalsContact O-N 3.15Å; D113-Q115 HydrophobicContact CB-CG 4.03Å; D113-Q115 PolarHBondContact O-N 3Å
116	A	92.6	Very high	84.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139	177.5	0	0	0	0	0	111.8	I68 R69 L108 Y111 E114 M156	I68-A116 CarbonylContact O-C 3.58Å; I68-A116 WeakPolarHBondContact O-CA 3.19Å; R69-A116 HydrophobicContact CG-CB 4.39Å; L108-A116 HydrophobicContact CB-CB 4.41Å; L108-A116 HydrophobicContact CD1-CB 3.81Å; L108-A116 HydrophobicContact CG-CB 4.4Å; L108-A116 PolarHBondContact N-O 2.86Å; Y111-A116 HydrophobicContact CD1-CB 3.74Å; Y111-A116 HydrophobicContact CD2-CB 3.61Å; Y111-A116 HydrophobicContact CE1-CB 4.32Å; Y111-A116 HydrophobicContact CE2-CB 4.17Å; Y111-A116 HydrophobicContact CG-CB 3.39Å; E114-A116 VanDerWaalsContact C-N 3.33Å; A116-M156 HydrophobicContact CB-CE 4.26Å; A116-M156 HydrophobicContact CB-SD 3.77Å
117	W	92.8	Very high	83.8	Confident	16 Å²	16	64 Å²	64	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.5	-171.4	-63.2	71.3	0	0	0	110.5	T67 I68 L81 K85 F89 P105 Q106 P107 E114	T67-W117 CarbonylContact C-O 3.58Å; T67-W117 WeakPolarHBondContact CA-O 3.06Å; T67-W117 WeakPolarHBondContact CG2-O 3.3Å; I68-W117 HydrophobicContact CD1-CB 4.36Å; I68-W117 HydrophobicContact CG1-CB 3.91Å; I68-W117 PolarHBondContact N-O 3.43Å; I68-W117 PolarHBondContact O-N 3.38Å; L81-W117 HydrophobicContact CD1-CZ2 4.01Å; K85-W117 VanDerWaalsContact CE-CZ2 3.42Å; K85-W117 HydrophobicContact CG-CH2 4.37Å; K85-W117 HydrophobicContact CG-CZ2 4.42Å; F89-W117 HydrophobicContact CD2-CE3 4.08Å; F89-W117 HydrophobicContact CD2-CH2 4.22Å; F89-W117 AromaticContact CD2-CZ3 3.81Å; F89-W117 HydrophobicContact CD2-CZ3 3.81Å; F89-W117 AromaticContact CE2-CD2 3.66Å; F89-W117 HydrophobicContact CE2-CD2 3.66Å; F89-W117 AromaticContact CE2-CE2 3.98Å; F89-W117 AromaticContact CE2-CE3 3.4Å; F89-W117 HydrophobicContact CE2-CE3 3.4Å; F89-W117 VanDerWaalsContact CE2-CE3 3.4Å; F89-W117 HydrophobicContact CE2-CG 4.41Å; F89-W117 AromaticContact CE2-CH2 3.97Å; F89-W117 HydrophobicContact CE2-CH2 3.97Å; F89-W117 HydrophobicContact CE2-CZ2 4.17Å; F89-W117 AromaticContact CE2-CZ3 3.55Å; F89-W117 HydrophobicContact CE2-CZ3 3.55Å; F89-W117 HydrophobicContact CZ-CD2 4.12Å; F89-W117 HydrophobicContact CZ-CE3 4.04Å; F89-W117 HydrophobicContact CZ-CG 4.45Å; P105-W117 HydrophobicContact CB-CE3 4.26Å; P105-W117 WeakPolarHBondContact O-CZ3 3.42Å; Q106-W117 CarbonylContact O-C 3.54Å; Q106-W117 VanDerWaalsContact O-CA 3.22Å; Q106-W117 WeakPolarHBondContact O-CA 3.35Å; P107-W117 HydrophobicContact CB-CD2 4.17Å; P107-W117 HydrophobicContact CB-CE3 4.17Å; P107-W117 HydrophobicContact CB-CH2 3.94Å; P107-W117 HydrophobicContact CB-CZ2 3.95Å; P107-W117 HydrophobicContact CB-CZ3 4.08Å; P107-W117 VanDerWaalsContact CD-CZ3 3.46Å; P107-W117 HydrophobicContact CG-CH2 4.1Å; P107-W117 HydrophobicContact CG-CZ3 4.14Å; P107-W117 VanDerWaalsContact N-CE3 3.31Å; E114-W117 HydrophobicContact CB-CZ2 4.13Å; E114-W117 PolarHBondContact O-NE1 2.89Å
118	H	91.4	Very high	83.1	Confident	42 Å²	42	67.9 Å²	67.9	19%	0.194	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.6	174.5	70.2	106	0	0	0	111.7	P65 A66 P105 Q106 L108	P65-H118 HydrophobicContact CB-CB 4.33Å; A66-H118 CarbonylContact O-C 3.59Å; A66-H118 VanDerWaalsContact O-CA 3.29Å; A66-H118 WeakPolarHBondContact O-CA 3.22Å; P105-H118 CarbonylContact C-O 3.51Å; P105-H118 VanDerWaalsContact CA-O 3.29Å; P105-H118 WeakPolarHBondContact CA-O 3.3Å; Q106-H118 PolarHBondContact N-O 2.82Å; Q106-H118 PolarHBondContact O-CD2 3.47Å; Q106-H118 PolarHBondContact O-N 3.5Å; L108-H118 HydrophobicContact CD2-CB 4.22Å
119	T	87.4	Confident	82.4	Confident	18 Å²	18	67.9 Å²	67.9	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.8	178.4	-179.3	0	0	0	0	111.7	A66 M121	A66-T119 HydrophobicContact CB-CG2 4.04Å; A66-T119 PolarHBondContact N-O 2.96Å; A66-T119 PolarHBondContact O-N 2.97Å; T119-M121 VanDerWaalsContact C-N 3.27Å; T119-M121 HydrophobicContact CG2-CE 4.04Å; T119-M121 WeakPolarHBondContact OG1-CE 3.25Å; T119-M121 WeakPolarHBondContact OG1-CG 3.27Å; T119-M121 PolarHBondContact OG1-N 3.34Å
120	N	81.9	Confident	81.8	Confident	77 Å²	77	68.6 Å²	68.6	41%	0.412	33%	0.329	S	S	.	.			trans	-86.7	6.3	176.2	-65.1	-36.9	0	0	0	112.9	P65 E103 S122	P65-N120 WeakPolarHBondContact CB-OD1 3.32Å; E103-N120 PolarHBondContact OE2-ND2 3.25Å; N120-S122 PolarHBondContact O-N 3.34Å; N120-S122 VanDerWaalsContact O-N 3.11Å
121	M	78.1	Confident	81.2	Confident	20 Å²	20	70.3 Å²	70.3	10%	0.099	34%	0.339	C	S	.	.			trans	-63	114.6	-178.1	-74.8	-172.6	-76.9	0	0	112	I92 I102 P105 T119 L132 F135	I92-M121 HydrophobicContact CD1-CE 4.36Å; I92-M121 HydrophobicContact CG2-SD 4.43Å; I102-M121 HydrophobicContact CG2-CG 3.97Å; I102-M121 HydrophobicContact CG2-SD 4.15Å; P105-M121 HydrophobicContact CG-CE 3.87Å; T119-M121 VanDerWaalsContact C-N 3.27Å; T119-M121 HydrophobicContact CG2-CE 4.04Å; T119-M121 WeakPolarHBondContact OG1-CE 3.25Å; T119-M121 WeakPolarHBondContact OG1-CG 3.27Å; T119-M121 PolarHBondContact OG1-N 3.34Å; M121-L132 HydrophobicContact SD-CD2 3.63Å; M121-F135 HydrophobicContact CE-CD1 4.16Å; M121-F135 HydrophobicContact CE-CE1 3.74Å
122	S	69.8	Low	80.7	Confident	53 Å²	53	69.6 Å²	69.6	37%	0.371	34%	0.336	S	S	.	.			trans	-71.5	151.7	175.6	78.3	0	0	0	0	112.2	N120 K124 L125 I126	N120-S122 PolarHBondContact O-N 3.34Å; N120-S122 VanDerWaalsContact O-N 3.11Å; S122-K124 PolarHBondContact O-N 2.88Å; S122-K124 VanDerWaalsContact O-N 3.12Å; S122-L125 WeakPolarHBondContact O-CB 3.3Å; S122-L125 PolarHBondContact O-N 2.92Å; S122-L125 WeakPolarHBondContact OG-CG 3.46Å; S122-L125 PolarHBondContact OG-N 3.43Å; S122-I126 PolarHBondContact O-N 3.44Å; S122-I126 VanDerWaalsContact O-N 3.16Å
123	R	67.4	Low	80.4	Confident	171 Å²	171	69.7 Å²	69.7	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-56.5	-29.2	174.2	-68.9	-176.5	-172.9	163.2	3.1	113.1	N729	R123-N729 PolarHBondContact NH2-ND2 3.02Å
124	K	67.2	Low	80.3	Confident	173 Å²	173	67.7 Å²	67.7	75%	0.752	32%	0.316	S	S	*	.	H	α-helix	trans	-68	-41.1	176.7	-69.1	-178	-179.4	176.7	0	111.2	S122 R127	S122-K124 PolarHBondContact O-N 2.88Å; S122-K124 VanDerWaalsContact O-N 3.12Å; K124-R127 PolarHBondContact O-N 2.66Å
125	L	69.9	Low	80.2	Confident	55 Å²	55	64 Å²	64	29%	0.288	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-40.2	177.4	-69.5	169.9	0	0	0	111.7	S122 R127 K128 L132	S122-L125 WeakPolarHBondContact O-CB 3.3Å; S122-L125 PolarHBondContact O-N 2.92Å; S122-L125 WeakPolarHBondContact OG-CG 3.46Å; S122-L125 PolarHBondContact OG-N 3.43Å; L125-R127 PolarHBondContact O-N 2.6Å; L125-R127 VanDerWaalsContact O-N 3.16Å; L125-K128 PolarHBondContact O-N 3.02Å; L125-L132 WeakPolarHBondContact O-CD1 3.43Å
126	I	72.2	Confident	80	Confident	31 Å²	31	65.2 Å²	65.2	16%	0.159	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-35	178.3	-66.2	173.1	0	0	0	112.2	S122 L132 H136	S122-I126 PolarHBondContact O-N 3.44Å; S122-I126 VanDerWaalsContact O-N 3.16Å; I126-L132 HydrophobicContact CG2-CB 4.49Å; I126-H136 HydrophobicContact CG2-CB 3.67Å
127	R	70.9	Confident	79.6	Confident	211 Å²	211	67.2 Å²	67.2	80%	0.796	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13	-179.1	-68.2	178.7	179.5	163.7	-1.2	114.2	K124 L125	K124-R127 PolarHBondContact O-N 2.66Å; L125-R127 PolarHBondContact O-N 2.6Å; L125-R127 VanDerWaalsContact O-N 3.16Å
128	K	77.5	Confident	79.3	Confident	123 Å²	123	66.6 Å²	66.6	54%	0.535	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.7	-176.4	-74.6	-176.5	170.6	-172.4	0	113.7	I97 D98 L125	I97-K128 HydrophobicContact CD1-CB 4.42Å; I97-K128 HydrophobicContact CG2-CB 4.45Å; I97-K128 HydrophobicContact CG2-CD 4.14Å; D98-K128 IonicContact OD2-NZ 2.67Å; D98-K128 PolarHBondContact OD2-NZ 2.84Å; L125-K128 PolarHBondContact O-N 3.02Å
129	S	79.1	Confident	79.1	Confident	11 Å²	11	65.3 Å²	65.3	8%	0.077	31%	0.306	C	S	.	.			trans	-122.3	130.1	-178.5	169.7	0	0	0	0	111.6	L131 L132 E133	S129-L131 PolarHBondContact O-N 3.06Å; S129-L131 PolarHBondContact OG-N 3.29Å; S129-L132 PolarHBondContact O-N 3.33Å; S129-E133 PolarHBondContact O-N 3.11Å
130	P	81.8	Confident	79.1	Confident	101 Å²	101	66.3 Å²	66.3	66%	0.656	31%	0.312	S	S	*	.	H	α-helix	trans	-56	-31.5	172	-25.1	34.2	0	0	0	113.2	E133 K134	P130-E133 PolarHBondContact O-N 3.41Å; P130-K134 WeakPolarHBondContact O-CG 3.32Å; P130-K134 PolarHBondContact O-N 3.46Å
131	L	81.1	Confident	79.2	Confident	45 Å²	45	63 Å²	63	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-43.6	179.4	-167.5	137.7	0	0	0	111.8	D91 I92 S129 E133 K134 F135	D91-L131 HydrophobicContact CB-CD1 3.64Å; D91-L131 HydrophobicContact CB-CD2 4.09Å; D91-L131 HydrophobicContact CB-CG 4.43Å; I92-L131 HydrophobicContact CG1-CD2 3.61Å; S129-L131 PolarHBondContact O-N 3.06Å; S129-L131 PolarHBondContact OG-N 3.29Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 3.42Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 2.76Å; L131-F135 PolarHBondContact O-N 3.12Å
132	L	80.8	Confident	79.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-32.8	176.1	-62.6	-179.8	0	0	0	111.8	I92 L95 I97 I102 M121 L125 I126 S129 F135 H136	I92-L132 HydrophobicContact CD1-CD2 4.1Å; I92-L132 HydrophobicContact CG1-CD2 3.91Å; L95-L132 HydrophobicContact CD2-CD1 4.34Å; L95-L132 HydrophobicContact CD2-CD2 4.34Å; L95-L132 HydrophobicContact CD2-CG 4.04Å; I97-L132 HydrophobicContact CD1-CD1 3.98Å; I102-L132 HydrophobicContact CD1-CD1 3.92Å; M121-L132 HydrophobicContact SD-CD2 3.63Å; L125-L132 WeakPolarHBondContact O-CD1 3.43Å; I126-L132 HydrophobicContact CG2-CB 4.49Å; S129-L132 PolarHBondContact O-N 3.33Å; L132-F135 PolarHBondContact O-N 3.06Å; L132-H136 WeakPolarHBondContact O-CB 3.38Å; L132-H136 PolarHBondContact O-N 3.24Å
133	E	82.9	Confident	80.5	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-44.7	171.5	-177.2	170	-167	0	0	111.5	S129 P130 L131 F135 H136 Q137 K700	S129-E133 PolarHBondContact O-N 3.11Å; P130-E133 PolarHBondContact O-N 3.41Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 3.42Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.13Å; E133-H136 PolarHBondContact O-N 3.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-K700 VanDerWaalsContact OE1-CE 3.24Å; E133-K700 WeakPolarHBondContact OE1-CE 3.44Å; E133-K700 IonicContact OE1-NZ 3.95Å; E133-K700 PolarHBondContact OE1-NZ 3.29Å
134	K	83.9	Confident	81.4	Confident	86 Å²	86	55.6 Å²	55.6	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-44.8	173.3	-74.9	-178.1	174.2	-167.3	0	111.7	P130 L131 Q137 F138 E695 F697	P130-K134 WeakPolarHBondContact O-CG 3.32Å; P130-K134 PolarHBondContact O-N 3.46Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 2.76Å; K134-Q137 PolarHBondContact O-N 2.78Å; K134-F138 PolarHBondContact O-N 2.81Å; K134-E695 IonicContact NZ-OE2 2.9Å; K134-F697 HydrophobicContact CB-CD1 4.34Å; K134-F697 HydrophobicContact CB-CE1 3.55Å; K134-F697 HydrophobicContact CB-CZ 3.85Å; K134-F697 HydrophobicContact CD-CE1 4.07Å; K134-F697 HydrophobicContact CD-CE2 3.91Å; K134-F697 HydrophobicContact CD-CZ 3.56Å; K134-F697 HydrophobicContact CG-CD1 4.03Å; K134-F697 HydrophobicContact CG-CE1 3.52Å; K134-F697 HydrophobicContact CG-CE2 4.14Å; K134-F697 HydrophobicContact CG-CZ 3.59Å
135	F	85.4	Confident	82.2	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.9	177.8	-118.8	0	0	0	112.1	L84 Y88 F89 I92 P105 M121 L131 L132 E133 F138 L139	L84-F135 HydrophobicContact CD2-CE2 3.72Å; Y88-F135 HydrophobicContact CD1-CB 3.89Å; Y88-F135 AromaticContact CD1-CD2 3.74Å; Y88-F135 HydrophobicContact CD1-CD2 3.74Å; Y88-F135 HydrophobicContact CD1-CG 4.27Å; Y88-F135 HydrophobicContact CD2-CD2 4.43Å; Y88-F135 HydrophobicContact CE1-CB 4.31Å; Y88-F135 HydrophobicContact CE1-CD2 4.46Å; Y88-F135 AromaticContact CG-CD2 3.71Å; Y88-F135 HydrophobicContact CG-CD2 3.71Å; Y88-F135 HydrophobicContact CG-CE2 4.39Å; F89-F135 AromaticContact CE1-CE2 4Å; F89-F135 HydrophobicContact CE1-CE2 4Å; F89-F135 AromaticContact CE1-CZ 3.99Å; F89-F135 HydrophobicContact CE1-CZ 3.99Å; I92-F135 HydrophobicContact CD1-CB 4.5Å; I92-F135 HydrophobicContact CD1-CD1 4.03Å; I92-F135 HydrophobicContact CD1-CD2 4.46Å; I92-F135 HydrophobicContact CD1-CE1 4.37Å; I92-F135 HydrophobicContact CD1-CG 4.08Å; P105-F135 HydrophobicContact CG-CZ 4.42Å; M121-F135 HydrophobicContact CE-CD1 4.16Å; M121-F135 HydrophobicContact CE-CE1 3.74Å; L131-F135 PolarHBondContact O-N 3.12Å; L132-F135 PolarHBondContact O-N 3.06Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.13Å; F135-F138 WeakPolarHBondContact O-CB 3.32Å; F135-F138 PolarHBondContact O-N 3.35Å; F135-L139 HydrophobicContact CD1-CD1 4.2Å; F135-L139 HydrophobicContact CD2-CG 4.5Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CG 4.29Å; F135-L139 HydrophobicContact CE2-CD1 4.29Å; F135-L139 HydrophobicContact CE2-CD2 4.13Å; F135-L139 HydrophobicContact CE2-CG 4.1Å; F135-L139 HydrophobicContact CZ-CD1 3.68Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.99Å; F135-L139 WeakPolarHBondContact O-CG 3.44Å; F135-L139 PolarHBondContact O-N 3.35Å
136	H	85.5	Confident	82.9	Confident	69 Å²	69	45.3 Å²	45.3	32%	0.319	22%	0.218	S	C	.	.	H	α-helix	trans	-63.3	-44.5	176.3	-177.3	75.1	0	0	0	112.3	I126 L132 E133 F138 L139 V140	I126-H136 HydrophobicContact CG2-CB 3.67Å; L132-H136 WeakPolarHBondContact O-CB 3.38Å; L132-H136 PolarHBondContact O-N 3.24Å; E133-H136 PolarHBondContact O-N 3.31Å; H136-F138 VanDerWaalsContact C-N 3.29Å; H136-F138 PolarHBondContact O-N 3.4Å; H136-L139 PolarHBondContact O-N 3.04Å; H136-V140 WeakPolarHBondContact O-CG2 3.23Å; H136-V140 PolarHBondContact O-N 3.31Å
137	Q	84.9	Confident	83.6	Confident	42 Å²	42	44 Å²	44	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-38.9	175.3	-71.3	-173.8	18.6	0	0	111.9	E133 K134 V140 S141	E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.46Å; K134-Q137 PolarHBondContact O-N 2.78Å; Q137-V140 PolarHBondContact O-N 3.1Å; Q137-S141 VanDerWaalsContact O-CB 3.32Å; Q137-S141 WeakPolarHBondContact O-CB 3.44Å; Q137-S141 PolarHBondContact O-N 3.34Å
138	F	86.4	Confident	84.5	Confident	2 Å²	2	34 Å²	34	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-54.1	171.8	169.2	-87.6	0	0	0	110.9	I80 L84 Y88 K134 F135 H136 V140 S141 E142 I148 R690	I80-F138 HydrophobicContact CG2-CZ 4.36Å; L84-F138 HydrophobicContact CD2-CD1 4.15Å; L84-F138 HydrophobicContact CD2-CE1 3.48Å; L84-F138 VanDerWaalsContact CD2-CE1 3.48Å; L84-F138 HydrophobicContact CD2-CZ 4.16Å; L84-F138 HydrophobicContact CG-CE1 3.98Å; L84-F138 HydrophobicContact CG-CZ 4.22Å; Y88-F138 HydrophobicContact CE1-CB 4.41Å; Y88-F138 HydrophobicContact CE2-CB 4.34Å; Y88-F138 HydrophobicContact CE2-CD1 4.32Å; Y88-F138 AromaticContact CE2-CD2 3.68Å; Y88-F138 HydrophobicContact CE2-CD2 3.68Å; Y88-F138 HydrophobicContact CE2-CE2 4.04Å; Y88-F138 AromaticContact CE2-CG 3.85Å; Y88-F138 HydrophobicContact CE2-CG 3.85Å; Y88-F138 AromaticContact CZ-CD2 3.92Å; Y88-F138 AromaticContact CZ-CG 3.93Å; K134-F138 PolarHBondContact O-N 2.81Å; F135-F138 WeakPolarHBondContact O-CB 3.32Å; F135-F138 PolarHBondContact O-N 3.35Å; H136-F138 VanDerWaalsContact C-N 3.29Å; H136-F138 PolarHBondContact O-N 3.4Å; F138-V140 VanDerWaalsContact C-N 3.32Å; F138-V140 PolarHBondContact O-N 3.1Å; F138-S141 PolarHBondContact O-N 2.91Å; F138-E142 HydrophobicContact CD1-CG 4.36Å; F138-E142 HydrophobicContact CD2-CG 4.18Å; F138-E142 HydrophobicContact CE1-CG 3.95Å; F138-E142 HydrophobicContact CE2-CG 3.78Å; F138-E142 HydrophobicContact CG-CG 4.44Å; F138-E142 HydrophobicContact CZ-CG 3.66Å; F138-E142 WeakPolarHBondContact O-CG 2.99Å; F138-E142 PolarHBondContact O-N 3.02Å; F138-I148 HydrophobicContact CE1-CD1 3.73Å; F138-I148 HydrophobicContact CZ-CD1 4.31Å; F138-R690 VanDerWaalsContact CD2-CD 3.43Å; F138-R690 VanDerWaalsContact CD2-CZ 3.48Å; F138-R690 VanDerWaalsContact CE2-CD 3.4Å
139	L	87.1	Confident	85.1	Confident	15 Å²	15	29.1 Å²	29.1	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-42	-179.2	-69.2	179.5	0	0	0	112.3	I68 F135 H136 T143 I148	I68-L139 HydrophobicContact CD1-CD2 3.81Å; I68-L139 HydrophobicContact CG2-CD1 4.47Å; I68-L139 HydrophobicContact CG2-CD2 4.33Å; F135-L139 HydrophobicContact CD1-CD1 4.2Å; F135-L139 HydrophobicContact CD2-CG 4.5Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CG 4.29Å; F135-L139 HydrophobicContact CE2-CD1 4.29Å; F135-L139 HydrophobicContact CE2-CD2 4.13Å; F135-L139 HydrophobicContact CE2-CG 4.1Å; F135-L139 HydrophobicContact CZ-CD1 3.68Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.99Å; F135-L139 WeakPolarHBondContact O-CG 3.44Å; F135-L139 PolarHBondContact O-N 3.35Å; H136-L139 PolarHBondContact O-N 3.04Å; L139-T143 VanDerWaalsContact O-CB 3.26Å; L139-T143 WeakPolarHBondContact O-CB 3.42Å; L139-T143 PolarHBondContact O-N 2.76Å; L139-T143 PolarHBondContact O-OG1 3.41Å; L139-I148 HydrophobicContact CD2-CD1 3.98Å
140	V	86.2	Confident	85.6	Confident	39 Å²	39	33.9 Å²	33.9	24%	0.236	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-49.1	177	172.5	0	0	0	0	110.8	H136 Q137 F138 E142 T143 E144	H136-V140 WeakPolarHBondContact O-CG2 3.23Å; H136-V140 PolarHBondContact O-N 3.31Å; Q137-V140 PolarHBondContact O-N 3.1Å; F138-V140 VanDerWaalsContact C-N 3.32Å; F138-V140 PolarHBondContact O-N 3.1Å; V140-E142 PolarHBondContact O-N 3.26Å; V140-T143 PolarHBondContact O-N 3.06Å; V140-E144 HydrophobicContact CG1-CG 4.46Å; V140-E144 WeakPolarHBondContact O-CG 3.29Å; V140-E144 PolarHBondContact O-N 3.4Å
141	S	85.7	Confident	86.1	Confident	9 Å²	9	29.6 Å²	29.6	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-44	179.3	177.8	0	0	0	0	112.8	Q137 F138 S145	Q137-S141 VanDerWaalsContact O-CB 3.32Å; Q137-S141 WeakPolarHBondContact O-CB 3.44Å; Q137-S141 PolarHBondContact O-N 3.34Å; F138-S141 PolarHBondContact O-N 2.91Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 3.09Å; S141-S145 VanDerWaalsContact O-N 3.14Å; S141-S145 PolarHBondContact O-OG 2.97Å
142	E	87.2	Confident	86.6	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-73.2	-30.6	179.3	-65	-57.2	150.9	0	0	111.9	F138 V140 S145 G146 N147 I148 H687 R690	F138-E142 HydrophobicContact CD1-CG 4.36Å; F138-E142 HydrophobicContact CD2-CG 4.18Å; F138-E142 HydrophobicContact CE1-CG 3.95Å; F138-E142 HydrophobicContact CE2-CG 3.78Å; F138-E142 HydrophobicContact CG-CG 4.44Å; F138-E142 HydrophobicContact CZ-CG 3.66Å; F138-E142 WeakPolarHBondContact O-CG 2.99Å; F138-E142 PolarHBondContact O-N 3.02Å; V140-E142 PolarHBondContact O-N 3.26Å; E142-S145 PolarHBondContact O-N 2.77Å; E142-G146 PolarHBondContact O-N 3.17Å; E142-G146 VanDerWaalsContact O-N 3.15Å; E142-N147 PolarHBondContact O-N 2.86Å; E142-N147 WeakPolarHBondContact OE2-CB 3.4Å; E142-N147 PolarHBondContact OE2-ND2 3Å; E142-I148 HydrophobicContact CB-CB 4.04Å; E142-I148 HydrophobicContact CB-CD1 3.7Å; E142-I148 HydrophobicContact CB-CG1 3.8Å; E142-I148 HydrophobicContact CG-CD1 4.15Å; E142-I148 PolarHBondContact O-N 3.5Å; E142-H687 IonicContact OE1-CG 3.72Å; E142-H687 IonicContact OE1-ND1 3.76Å; E142-H687 PolarHBondContact OE1-ND1 3.14Å; E142-H687 IonicContact OE2-CE1 3.02Å; E142-H687 IonicContact OE2-CG 2.61Å; E142-H687 IonicContact OE2-ND1 3.11Å; E142-H687 PolarHBondContact OE2-ND1 3.42Å; E142-R690 IonicContact OE1-CZ 2.64Å; E142-R690 IonicContact OE1-NH1 2.63Å; E142-R690 PolarHBondContact OE1-NH1 2.94Å
143	T	88.3	Confident	87.3	Confident	21 Å²	21	29.8 Å²	29.8	13%	0.129	14%	0.143	C	C	.	.	H	α-helix	trans	-68.1	-42.6	173.6	-57	0	0	0	0	112.1	L139 V140 S145 G146 I148 R220	L139-T143 VanDerWaalsContact O-CB 3.26Å; L139-T143 WeakPolarHBondContact O-CB 3.42Å; L139-T143 PolarHBondContact O-N 2.76Å; L139-T143 PolarHBondContact O-OG1 3.41Å; V140-T143 PolarHBondContact O-N 3.06Å; T143-S145 PolarHBondContact O-N 2.78Å; T143-G146 PolarHBondContact O-N 2.97Å; T143-I148 VanDerWaalsContact CA-O 3.27Å; T143-I148 WeakPolarHBondContact CA-O 3.5Å; T143-R220 PolarHBondContact O-NH1 3.12Å
144	E	84.9	Confident	87.9	Confident	66 Å²	66	27 Å²	27	31%	0.308	13%	0.13	S	C	.	.	H	α-helix	trans	-65.5	-29.9	175.1	-71.8	177.7	171.3	0	0	112	V140 G146 N683 R698	V140-E144 HydrophobicContact CG1-CG 4.46Å; V140-E144 WeakPolarHBondContact O-CG 3.29Å; V140-E144 PolarHBondContact O-N 3.4Å; E144-G146 VanDerWaalsContact C-N 3.33Å; E144-N683 HydrophobicContact CB-CB 4.02Å; E144-N683 WeakPolarHBondContact CB-ND2 3.32Å; E144-N683 PolarHBondContact OE2-ND2 3.05Å; E144-N683 PolarHBondContact OE2-OD1 3.03Å; E144-N683 VanDerWaalsContact OE2-OD1 3.07Å; E144-R698 IonicContact OE1-NH2 2.62Å; E144-R698 PolarHBondContact OE1-NH2 3.24Å; E144-R698 IonicContact OE2-NH2 2.73Å; E144-R698 PolarHBondContact OE2-NH2 3.04Å; E144-R698 VanDerWaalsContact OE2-NH2 3.12Å
145	S	83.5	Confident	88.4	Confident	9 Å²	9	23.5 Å²	23.5	6%	0.063	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.7	178	-53.2	0	0	0	0	113.6	S141 E142 T143 N147 N683 E684	S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 3.09Å; S141-S145 VanDerWaalsContact O-N 3.14Å; S141-S145 PolarHBondContact O-OG 2.97Å; E142-S145 PolarHBondContact O-N 2.77Å; T143-S145 PolarHBondContact O-N 2.78Å; S145-N147 VanDerWaalsContact C-N 3.33Å; S145-N683 PolarHBondContact OG-O 3.21Å; S145-N683 VanDerWaalsContact OG-O 3.13Å; S145-E684 PolarHBondContact OG-N 3.22Å
146	G	86.3	Confident	88.9	Confident	3 Å²	3	23.1 Å²	23.1	3%	0.031	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	19.2	-179	0	0	0	0	0	114.7	T71 E142 T143 E144	T71-G146 WeakPolarHBondContact CB-O 3.48Å; T71-G146 WeakPolarHBondContact CG2-O 3.4Å; T71-G146 PolarHBondContact OG1-O 3.49Å; E142-G146 PolarHBondContact O-N 3.17Å; E142-G146 VanDerWaalsContact O-N 3.15Å; T143-G146 PolarHBondContact O-N 2.97Å; E144-G146 VanDerWaalsContact C-N 3.33Å
147	N	86.4	Confident	89.5	Confident	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-95.3	-22.5	177.1	-60.2	-39.3	0	0	0	112.7	T71 K74 I80 E142 S145 H687	T71-N147 PolarHBondContact N-O 3.17Å; K74-N147 PolarHBondContact NZ-OD1 2.97Å; I80-N147 HydrophobicContact CD1-CB 3.53Å; E142-N147 PolarHBondContact O-N 2.86Å; E142-N147 WeakPolarHBondContact OE2-CB 3.4Å; E142-N147 PolarHBondContact OE2-ND2 3Å; S145-N147 VanDerWaalsContact C-N 3.33Å; N147-H687 PolarHBondContact ND2-CD2 3.1Å; N147-H687 PolarHBondContact ND2-CE1 3.4Å; N147-H687 PolarHBondContact ND2-ND1 3.41Å; N147-H687 PolarHBondContact ND2-NE2 3.46Å
148	I	90.4	Very high	90.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144	171.6	-65.9	179.3	0	0	0	107.9	I68 R69 I80 L84 F138 L139 E142 T143	I68-I148 HydrophobicContact CB-CG2 4.1Å; I68-I148 HydrophobicContact CG2-CG2 4.44Å; R69-I148 CarbonylContact O-C 3.19Å; R69-I148 WeakPolarHBondContact O-CA 3.44Å; I80-I148 HydrophobicContact CG2-CD1 4.26Å; I80-I148 HydrophobicContact CG2-CG1 4.43Å; L84-I148 HydrophobicContact CD1-CD1 4.36Å; F138-I148 HydrophobicContact CE1-CD1 3.73Å; F138-I148 HydrophobicContact CZ-CD1 4.31Å; L139-I148 HydrophobicContact CD2-CD1 3.98Å; E142-I148 HydrophobicContact CB-CB 4.04Å; E142-I148 HydrophobicContact CB-CD1 3.7Å; E142-I148 HydrophobicContact CB-CG1 3.8Å; E142-I148 HydrophobicContact CG-CD1 4.15Å; E142-I148 PolarHBondContact O-N 3.5Å; T143-I148 VanDerWaalsContact CA-O 3.27Å; T143-I148 WeakPolarHBondContact CA-O 3.5Å
149	S	89.9	Confident	90.6	Very high	19 Å²	19	17.8 Å²	17.8	13%	0.133	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.2	173.2	-70	0	0	0	0	109.5	R69 T71	R69-S149 PolarHBondContact N-O 3.49Å; R69-S149 PolarHBondContact O-N 3.46Å; T71-S149 PolarHBondContact OG1-OG 2.61Å
150	R	89.6	Confident	91	Very high	112 Å²	112	18.2 Å²	18.2	42%	0.423	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116	166.9	-66.6	-179.1	-177.4	174.4	2.2	107.8	I68	I68-R150 HydrophobicContact CG2-CG 4.46Å
151	Q	91.4	Very high	91.5	Very high	10 Å²	10	16.3 Å²	16.3	5%	0.047	8%	0.081	C	C	.	.			trans	-149.4	138.4	-176.7	178.4	179	6.2	0	0	107.9	T67 S155 M156	T67-Q151 WeakPolarHBondContact CB-O 3.33Å; T67-Q151 WeakPolarHBondContact CG2-O 3.37Å; Q151-S155 PolarHBondContact NE2-O 3.43Å; Q151-S155 VanDerWaalsContact NE2-O 3.14Å; Q151-M156 HydrophobicContact CB-CE 4.02Å; Q151-M156 HydrophobicContact CG-CE 4.33Å; Q151-M156 HydrophobicContact CG-CG 3.99Å; Q151-M156 WeakPolarHBondContact O-CE 3.3Å
152	E	92.2	Very high	92.1	Very high	43 Å²	43	15.9 Å²	15.9	20%	0.201	8%	0.078	C	C	.	.			trans	-63.1	140.7	176.1	-176.9	175.7	178.1	0	0	111	L64 V154 S155 G410	L64-E152 HydrophobicContact CD1-CG 4.28Å; L64-E152 WeakPolarHBondContact CD1-OE1 3.49Å; E152-V154 HydrophobicContact CG-CG2 3.96Å; E152-V154 PolarHBondContact O-N 3.31Å; E152-V154 WeakPolarHBondContact OE1-CG2 3.09Å; E152-S155 VanDerWaalsContact O-CB 3.31Å; E152-S155 WeakPolarHBondContact O-CB 3.49Å; E152-S155 PolarHBondContact O-N 3.21Å; E152-G410 WeakPolarHBondContact OE1-CA 3.49Å
153	A	94.8	Very high	92.4	Very high	6 Å²	6	20.5 Å²	20.5	5%	0.05	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-49.1	-54.9	-178.1	0	0	0	0	0	112.4	T67 L108 W110 S155 M156 T409	T67-A153 HydrophobicContact CG2-CB 4.34Å; L108-A153 HydrophobicContact CD1-CB 3.98Å; L108-A153 HydrophobicContact CD2-CB 4.31Å; W110-A153 WeakPolarHBondContact CH2-O 3.35Å; W110-A153 HydrophobicContact CZ2-CB 4.07Å; A153-S155 PolarHBondContact O-N 2.71Å; A153-M156 VanDerWaalsContact O-CB 3.3Å; A153-M156 WeakPolarHBondContact O-CB 3.32Å; A153-M156 PolarHBondContact O-N 2.84Å; A153-T409 HydrophobicContact CB-CG2 4.1Å
154	V	95.3	Very high	92.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65.8	-25.4	-178.3	-65.2	0	0	0	0	114.2	E152 M156 I157 I402 T409 F412	E152-V154 HydrophobicContact CG-CG2 3.96Å; E152-V154 PolarHBondContact O-N 3.31Å; E152-V154 WeakPolarHBondContact OE1-CG2 3.09Å; V154-M156 PolarHBondContact O-N 2.9Å; V154-I157 HydrophobicContact CB-CD1 4.3Å; V154-I157 HydrophobicContact CG1-CD1 4.3Å; V154-I157 PolarHBondContact O-N 3Å; V154-I402 HydrophobicContact CG1-CB 4.38Å; V154-I402 HydrophobicContact CG1-CG2 3.76Å; V154-T409 HydrophobicContact CG1-CG2 4.48Å; V154-F412 HydrophobicContact CB-CB 3.64Å; V154-F412 HydrophobicContact CB-CD1 4.28Å; V154-F412 HydrophobicContact CB-CD2 4.08Å; V154-F412 HydrophobicContact CB-CG 3.75Å; V154-F412 HydrophobicContact CG1-CB 4Å; V154-F412 HydrophobicContact CG2-CB 3.94Å; V154-F412 HydrophobicContact CG2-CD2 3.78Å; V154-F412 HydrophobicContact CG2-CG 3.96Å
155	S	95.2	Very high	93.1	Very high	13 Å²	13	21.7 Å²	21.7	9%	0.091	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-69.2	-15.6	175.7	-170.3	0	0	0	0	112.4	Q151 E152 A153 K180	Q151-S155 PolarHBondContact NE2-O 3.43Å; Q151-S155 VanDerWaalsContact NE2-O 3.14Å; E152-S155 VanDerWaalsContact O-CB 3.31Å; E152-S155 WeakPolarHBondContact O-CB 3.49Å; E152-S155 PolarHBondContact O-N 3.21Å; A153-S155 PolarHBondContact O-N 2.71Å; S155-K180 WeakPolarHBondContact O-CE 3.5Å; S155-K180 WeakPolarHBondContact OG-CE 3.46Å; S155-K180 PolarHBondContact OG-NZ 3.44Å
156	M	96.3	Very high	93.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-82.5	-17.5	177.7	-57.3	179.1	-169.4	0	0	113.7	T67 R69 L108 W110 Y111 A116 Q151 A153 V154 L160 Q183	T67-M156 HydrophobicContact CG2-CE 3.43Å; T67-M156 VanDerWaalsContact CG2-CE 3.43Å; R69-M156 HydrophobicContact CB-CE 3.84Å; R69-M156 HydrophobicContact CB-SD 4.43Å; R69-M156 HydrophobicContact CG-CE 4.4Å; R69-M156 HydrophobicContact CG-SD 4.36Å; L108-M156 HydrophobicContact CD1-CE 4.5Å; L108-M156 HydrophobicContact CD1-SD 4.12Å; W110-M156 HydrophobicContact CH2-CB 4.08Å; W110-M156 HydrophobicContact CH2-SD 4.42Å; W110-M156 HydrophobicContact CZ3-CB 4.21Å; Y111-M156 HydrophobicContact CD2-CB 4.16Å; Y111-M156 HydrophobicContact CD2-SD 3.65Å; Y111-M156 HydrophobicContact CE2-CB 3.93Å; Y111-M156 HydrophobicContact CE2-CG 4.23Å; Y111-M156 HydrophobicContact CE2-SD 3.67Å; A116-M156 HydrophobicContact CB-CE 4.26Å; A116-M156 HydrophobicContact CB-SD 3.77Å; Q151-M156 HydrophobicContact CB-CE 4.02Å; Q151-M156 HydrophobicContact CG-CE 4.33Å; Q151-M156 HydrophobicContact CG-CG 3.99Å; Q151-M156 WeakPolarHBondContact O-CE 3.3Å; A153-M156 VanDerWaalsContact O-CB 3.3Å; A153-M156 WeakPolarHBondContact O-CB 3.32Å; A153-M156 PolarHBondContact O-N 2.84Å; V154-M156 PolarHBondContact O-N 2.9Å; M156-L160 WeakPolarHBondContact O-CG 3.49Å; M156-Q183 PolarHBondContact O-NE2 3.34Å
157	I	97.3	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-49.4	-172.6	-63.5	168.8	0	0	0	111.8	W110 V154 L160 L161 L342 L345 I402 V414	W110-I157 HydrophobicContact CH2-CG1 4.11Å; W110-I157 HydrophobicContact CZ3-CG1 4.07Å; V154-I157 HydrophobicContact CB-CD1 4.3Å; V154-I157 HydrophobicContact CG1-CD1 4.3Å; V154-I157 PolarHBondContact O-N 3Å; I157-L160 PolarHBondContact O-N 2.99Å; I157-L160 VanDerWaalsContact O-N 3.16Å; I157-L161 HydrophobicContact CG2-CD1 3.71Å; I157-L161 HydrophobicContact CG2-CG 4.14Å; I157-L161 PolarHBondContact O-N 3.18Å; I157-L161 VanDerWaalsContact O-N 3.09Å; I157-L342 HydrophobicContact CB-CD1 4.45Å; I157-L342 HydrophobicContact CG1-CD1 4.47Å; I157-L342 HydrophobicContact CG2-CD1 3.76Å; I157-L345 HydrophobicContact CD1-CD1 3.9Å; I157-L345 HydrophobicContact CD1-CD2 3.97Å; I157-L345 HydrophobicContact CG1-CD2 4.41Å; I157-L345 HydrophobicContact CG2-CD2 4.41Å; I157-I402 HydrophobicContact CD1-CD1 4.1Å; I157-I402 HydrophobicContact CD1-CG1 3.95Å; I157-V414 HydrophobicContact CG2-CG2 3.96Å
158	P	97.6	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-43.6	-174	-25.4	36	0	0	0	114.7	L160 L161 L162 L256 V307 S309 F412 V414	P158-L160 PolarHBondContact O-N 3.47Å; P158-L161 PolarHBondContact O-N 3.13Å; P158-L162 PolarHBondContact O-N 3Å; P158-L256 HydrophobicContact CB-CD1 3.56Å; P158-V307 HydrophobicContact CB-CG1 3.75Å; P158-S309 WeakPolarHBondContact CG-OG 3.4Å; P158-F412 HydrophobicContact CG-CE1 3.52Å; P158-F412 HydrophobicContact CG-CZ 3.92Å; P158-V414 HydrophobicContact CG-CG2 4.31Å
159	P	96.9	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-39.7	175.7	-28.9	40.5	0	0	0	113.8	L161 L162 K180 Q183 L184 M187	P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 3.36Å; P159-L162 WeakPolarHBondContact O-CB 2.66Å; P159-L162 PolarHBondContact O-N 2.97Å; P159-L162 VanDerWaalsContact O-N 3.11Å; P159-K180 HydrophobicContact CG-CB 3.99Å; P159-K180 HydrophobicContact CG-CG 4.22Å; P159-Q183 HydrophobicContact CB-CB 4.19Å; P159-Q183 HydrophobicContact CB-CG 3.7Å; P159-Q183 HydrophobicContact CG-CB 4.27Å; P159-Q183 HydrophobicContact CG-CG 4.18Å; P159-L184 HydrophobicContact CB-CD2 3.82Å; P159-L184 HydrophobicContact CG-CD2 4.23Å; P159-M187 HydrophobicContact CB-SD 4.06Å; P159-M187 WeakPolarHBondContact O-CE 3.11Å
160	L	95.9	Very high	95.1	Very high	24 Å²	24	28 Å²	28	13%	0.126	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-41.7	177.5	-66.3	172.6	0	0	0	111.2	W110 Y111 P112 M156 I157 P158 L162 K163 M187 L342	W110-L160 HydrophobicContact CE3-CD1 4.35Å; W110-L160 HydrophobicContact CZ3-CD1 4.06Å; Y111-L160 HydrophobicContact CD2-CD1 3.88Å; Y111-L160 HydrophobicContact CE2-CD1 3.95Å; Y111-L160 HydrophobicContact CE2-CD2 4.44Å; Y111-L160 HydrophobicContact CE2-CG 4.5Å; P112-L160 HydrophobicContact CG-CD2 4.21Å; M156-L160 WeakPolarHBondContact O-CG 3.49Å; I157-L160 PolarHBondContact O-N 2.99Å; I157-L160 VanDerWaalsContact O-N 3.16Å; P158-L160 PolarHBondContact O-N 3.47Å; L160-L162 PolarHBondContact O-N 3.34Å; L160-K163 PolarHBondContact O-N 3.03Å; L160-M187 HydrophobicContact CD2-CE 4.41Å; L160-L342 HydrophobicContact CB-CD2 3.93Å; L160-L342 HydrophobicContact CD1-CD2 3.73Å; L160-L342 HydrophobicContact CG-CD2 4.44Å
161	L	97.3	Very high	95.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-3	177.4	-65.7	-175.8	0	0	0	113.9	I157 P158 P159 R305 V307 A338 D341 L342 M400 V414 V416	I157-L161 HydrophobicContact CG2-CD1 3.71Å; I157-L161 HydrophobicContact CG2-CG 4.14Å; I157-L161 PolarHBondContact O-N 3.18Å; I157-L161 VanDerWaalsContact O-N 3.09Å; P158-L161 PolarHBondContact O-N 3.13Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 3.36Å; L161-R305 PolarHBondContact O-NE 3.11Å; L161-R305 PolarHBondContact O-NH2 3Å; L161-V307 HydrophobicContact CB-CG2 4.15Å; L161-A338 HydrophobicContact CD1-CB 4.49Å; L161-A338 HydrophobicContact CD2-CB 4.02Å; L161-D341 HydrophobicContact CD2-CB 3.61Å; L161-L342 HydrophobicContact CD1-CD1 4.45Å; L161-L342 HydrophobicContact CD2-CD1 3.76Å; L161-L342 HydrophobicContact CD2-CG 3.89Å; L161-L342 HydrophobicContact CG-CD1 3.97Å; L161-M400 HydrophobicContact CD1-SD 3.85Å; L161-V414 HydrophobicContact CD1-CB 4.38Å; L161-V414 HydrophobicContact CD1-CG1 3.77Å; L161-V416 HydrophobicContact CB-CG2 4.05Å; L161-V416 HydrophobicContact CD1-CG2 4.04Å
162	L	97	Very high	95.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-20	171.3	-78.5	166.2	0	0	0	112.8	P158 P159 L160 I164 L184 R254 L256 V307	P158-L162 PolarHBondContact O-N 3Å; P159-L162 WeakPolarHBondContact O-CB 2.66Å; P159-L162 PolarHBondContact O-N 2.97Å; P159-L162 VanDerWaalsContact O-N 3.11Å; L160-L162 PolarHBondContact O-N 3.34Å; L162-I164 HydrophobicContact CB-CD1 4.09Å; L162-I164 HydrophobicContact CB-CG1 3.88Å; L162-I164 HydrophobicContact CD1-CD1 4.36Å; L162-L184 HydrophobicContact CD1-CD2 3.66Å; L162-R254 HydrophobicContact CD2-CB 4.23Å; L162-R254 WeakPolarHBondContact O-CD 2.96Å; L162-R254 PolarHBondContact O-NE 3.41Å; L162-L256 HydrophobicContact CD1-CB 3.95Å; L162-L256 HydrophobicContact CD1-CD1 4.21Å; L162-V307 HydrophobicContact CD2-CB 3.95Å; L162-V307 HydrophobicContact CD2-CG2 3.54Å; L162-V307 HydrophobicContact CG-CB 4.1Å; L162-V307 HydrophobicContact CG-CG2 3.65Å
163	K	94.9	Very high	96.1	Very high	98 Å²	98	20.1 Å²	20.1	43%	0.426	10%	0.097	S	C	.	.			trans	48.7	66.8	-174	-59.2	-168.2	-179.3	-177.8	0	111.8	L160 R254 D341	L160-K163 PolarHBondContact O-N 3.03Å; K163-R254 PolarHBondContact O-NE 3.4Å; K163-R254 PolarHBondContact O-NH2 3.5Å; K163-D341 WeakPolarHBondContact CE-OD1 3.44Å; K163-D341 WeakPolarHBondContact CE-OD2 3.3Å; K163-D341 IonicContact NZ-OD1 3.51Å; K163-D341 PolarHBondContact NZ-OD1 3.03Å; K163-D341 IonicContact NZ-OD2 3.49Å; K163-D341 PolarHBondContact NZ-OD2 3.29Å
164	I	94.8	Very high	96.2	Very high	15 Å²	15	21 Å²	21	8%	0.077	10%	0.102	C	C	.	.			trans	-79.4	148.3	-177.5	-68.2	162.6	0	0	0	110.1	L162 I170 L184 M187 L188 R254	L162-I164 HydrophobicContact CB-CD1 4.09Å; L162-I164 HydrophobicContact CB-CG1 3.88Å; L162-I164 HydrophobicContact CD1-CD1 4.36Å; I164-I170 HydrophobicContact CD1-CD1 4.19Å; I164-I170 HydrophobicContact CG1-CD1 4.21Å; I164-I170 HydrophobicContact CG2-CD1 3.65Å; I164-L184 HydrophobicContact CD1-CB 4.18Å; I164-L184 HydrophobicContact CD1-CD2 3.24Å; I164-L184 HydrophobicContact CD1-CG 4.29Å; I164-M187 HydrophobicContact CB-CB 3.93Å; I164-M187 HydrophobicContact CB-CE 4.28Å; I164-M187 HydrophobicContact CD1-CB 4.25Å; I164-M187 HydrophobicContact CD1-CE 4.47Å; I164-M187 HydrophobicContact CD1-SD 4.11Å; I164-M187 HydrophobicContact CG2-CB 3.98Å; I164-L188 HydrophobicContact CG2-CB 4.31Å; I164-R254 HydrophobicContact CG1-CG 4.39Å
165	E	93.3	Very high	96.2	Very high	97 Å²	97	21.1 Å²	21.1	45%	0.453	10%	0.104	S	C	.	.			trans	-140.3	159	179	-60.5	177.4	-151.9	0	0	107.4	H167 H168	E165-H167 PolarHBondContact O-N 3.33Å; E165-H167 VanDerWaalsContact O-N 3.08Å; E165-H167 IonicContact OE2-CE1 3.5Å; E165-H167 PolarHBondContact OE2-CE1 2.86Å; E165-H167 IonicContact OE2-ND1 2.74Å; E165-H168 WeakPolarHBondContact CB-ND1 3.46Å; E165-H168 PolarHBondContact N-ND1 3.14Å; E165-H168 WeakPolarHBondContact O-CB 3.28Å; E165-H168 PolarHBondContact O-N 3.34Å; E165-H168 IonicContact OE1-CE1 2.63Å
166	S	91.9	Very high	96	Very high	17 Å²	17	20.9 Å²	20.9	12%	0.119	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.9	-168.2	-60.9	0	0	0	0	116.1	L188 P197 E198 G199	S166-L188 VanDerWaalsContact CA-O 3.26Å; S166-L188 WeakPolarHBondContact CA-O 3.48Å; S166-L188 WeakPolarHBondContact CB-O 3.36Å; S166-L188 PolarHBondContact OG-O 2.66Å; S166-P197 VanDerWaalsContact O-CB 3.3Å; S166-P197 WeakPolarHBondContact O-CB 3.32Å; S166-E198 PolarHBondContact O-N 2.97Å; S166-G199 WeakPolarHBondContact O-CA 3.48Å; S166-G199 PolarHBondContact O-N 3.17Å
167	H	92.9	Very high	95.7	Very high	91 Å²	91	24.6 Å²	24.6	42%	0.421	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.1	177.1	67.4	-91.1	0	0	0	113.5	E165 E198	E165-H167 PolarHBondContact O-N 3.33Å; E165-H167 VanDerWaalsContact O-N 3.08Å; E165-H167 IonicContact OE2-CE1 3.5Å; E165-H167 PolarHBondContact OE2-CE1 2.86Å; E165-H167 IonicContact OE2-ND1 2.74Å; H167-E198 HydrophobicContact CB-CB 4.49Å
168	H	96.2	Very high	95.5	Very high	11 Å²	11	24.6 Å²	24.6	5%	0.051	13%	0.126	C	C	.	.			trans	-69.7	137.2	-174	-74.3	136.7	0	0	0	112.9	E165 I170 G199 F200 D253 R254	E165-H168 WeakPolarHBondContact CB-ND1 3.46Å; E165-H168 PolarHBondContact N-ND1 3.14Å; E165-H168 WeakPolarHBondContact O-CB 3.28Å; E165-H168 PolarHBondContact O-N 3.34Å; E165-H168 IonicContact OE1-CE1 2.63Å; H168-I170 HydrophobicContact CB-CG1 4.19Å; H168-G199 VanDerWaalsContact O-CA 3.23Å; H168-G199 WeakPolarHBondContact O-CA 3.3Å; H168-F200 PolarHBondContact O-N 3.47Å; H168-D253 HydrophobicContact CB-CB 4.15Å; H168-D253 WeakPolarHBondContact CD2-CB 3.12Å; H168-D253 IonicContact CD2-OD2 3.44Å; H168-R254 HydrophobicContact CB-CG 4.26Å; H168-R254 PolarHBondContact CE1-NH2 3.32Å; H168-R254 PolarHBondContact NE2-NH1 2.92Å; H168-R254 VanDerWaalsContact NE2-NH1 3.14Å; H168-R254 PolarHBondContact NE2-NH2 2.78Å; H168-R254 VanDerWaalsContact NE2-NH2 3.19Å
169	K	97.4	Very high	95.2	Very high	48 Å²	48	26 Å²	26	21%	0.209	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.3	169.3	-54.2	177.7	-166	173.6	0	108.3	F200 L250 Y252 D253 R254	K169-F200 HydrophobicContact CB-CE1 4.18Å; K169-F200 HydrophobicContact CB-CE2 4.4Å; K169-F200 HydrophobicContact CB-CZ 3.99Å; K169-F200 HydrophobicContact CD-CE1 3.91Å; K169-F200 HydrophobicContact CD-CZ 4.09Å; K169-F200 HydrophobicContact CG-CD1 4.3Å; K169-F200 HydrophobicContact CG-CE1 3.69Å; K169-F200 HydrophobicContact CG-CZ 3.97Å; K169-L250 HydrophobicContact CD-CD1 3.6Å; K169-Y252 HydrophobicContact CB-CD1 4.37Å; K169-Y252 CarbonylContact O-C 3.48Å; K169-Y252 WeakPolarHBondContact O-CB 3.03Å; K169-D253 PolarHBondContact N-OD2 3.26Å; K169-D253 PolarHBondContact O-N 3.36Å; K169-R254 PolarHBondContact O-N 3.47Å
170	I	98.4	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.6	-167.5	-53.1	156.6	0	0	0	109.9	I164 H168 L184 L188 F200 V201 I202 R254	I164-I170 HydrophobicContact CD1-CD1 4.19Å; I164-I170 HydrophobicContact CG1-CD1 4.21Å; I164-I170 HydrophobicContact CG2-CD1 3.65Å; H168-I170 HydrophobicContact CB-CG1 4.19Å; I170-L184 HydrophobicContact CG2-CD1 3.94Å; I170-L188 HydrophobicContact CD1-CB 4.4Å; I170-L188 HydrophobicContact CD1-CD1 4.05Å; I170-F200 PolarHBondContact N-O 2.93Å; I170-V201 HydrophobicContact CB-CG2 4.23Å; I170-V201 HydrophobicContact CD1-CG2 3.91Å; I170-V201 WeakPolarHBondContact O-CA 3.38Å; I170-I202 PolarHBondContact O-N 3.35Å; I170-R254 CarbonylContact C-O 3.59Å; I170-R254 WeakPolarHBondContact CA-O 3.32Å; I170-R254 HydrophobicContact CB-CB 4.42Å; I170-R254 HydrophobicContact CG1-CB 4.02Å; I170-R254 HydrophobicContact CG2-CB 4.19Å
171	L	98.4	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.3	172	179.4	60.4	0	0	0	110.4	M173 I202 I236 Y252 R254 V255 L256 Q299	L171-M173 HydrophobicContact CD2-CG 4.37Å; L171-M173 HydrophobicContact CD2-SD 3.44Å; L171-M173 WeakPolarHBondContact CD2-SD 3.42Å; L171-M173 HydrophobicContact CG-CG 4.3Å; L171-M173 HydrophobicContact CG-SD 3.88Å; L171-I202 WeakPolarHBondContact CA-O 3.31Å; L171-I202 HydrophobicContact CD1-CB 4.06Å; L171-I202 HydrophobicContact CD1-CG2 3.87Å; L171-I236 HydrophobicContact CD1-CD1 3.93Å; L171-Y252 HydrophobicContact CB-CD1 3.62Å; L171-Y252 HydrophobicContact CB-CD2 4.04Å; L171-Y252 HydrophobicContact CB-CE1 3.78Å; L171-Y252 HydrophobicContact CB-CE2 4.2Å; L171-Y252 HydrophobicContact CB-CG 3.73Å; L171-Y252 HydrophobicContact CD1-CE1 4.38Å; L171-Y252 HydrophobicContact CD2-CD2 3.98Å; L171-Y252 HydrophobicContact CD2-CE2 3.77Å; L171-Y252 HydrophobicContact CG-CE2 4.44Å; L171-R254 PolarHBondContact N-O 3.19Å; L171-V255 HydrophobicContact CB-CG2 4.26Å; L171-V255 CarbonylContact O-C 3.43Å; L171-V255 WeakPolarHBondContact O-CA 3.39Å; L171-L256 PolarHBondContact O-N 2.96Å; L171-Q299 HydrophobicContact CD2-CB 4.09Å; L171-Q299 HydrophobicContact CD2-CG 4.22Å
172	D	98.5	Very high	95	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.1	168.7	-173.3	-5.8	0	0	0	108.7	A175 T181 L184 I202 N204	D172-A175 HydrophobicContact CB-CB 4.13Å; D172-A175 WeakPolarHBondContact OD2-CA 3.31Å; D172-A175 WeakPolarHBondContact OD2-CB 3.31Å; D172-T181 PolarHBondContact OD2-OG1 3.13Å; D172-L184 HydrophobicContact CB-CD1 3.98Å; D172-I202 PolarHBondContact N-O 3.36Å; D172-N204 WeakPolarHBondContact O-CB 3.03Å; D172-N204 PolarHBondContact O-N 2.72Å
173	M	97.9	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-73.4	-31.8	-168.4	-69.6	-75	-78.1	0	0	113.3	L171 N204 A233 I236 V255 L256 I292 R295	L171-M173 HydrophobicContact CD2-CG 4.37Å; L171-M173 HydrophobicContact CD2-SD 3.44Å; L171-M173 WeakPolarHBondContact CD2-SD 3.42Å; L171-M173 HydrophobicContact CG-CG 4.3Å; L171-M173 HydrophobicContact CG-SD 3.88Å; M173-N204 CarbonylContact C-O 3.5Å; M173-N204 PolarHBondContact O-ND2 3.05Å; M173-A233 HydrophobicContact CB-CB 4.41Å; M173-A233 HydrophobicContact CE-CB 4.18Å; M173-A233 WeakPolarHBondContact CE-O 3.43Å; M173-A233 WeakPolarHBondContact O-CB 3.3Å; M173-I236 HydrophobicContact CE-CG2 4.04Å; M173-I236 HydrophobicContact SD-CG2 4.02Å; M173-V255 HydrophobicContact CG-CG1 3.96Å; M173-L256 WeakPolarHBondContact CB-O 3.44Å; M173-L256 WeakPolarHBondContact CG-O 3.38Å; M173-L256 PolarHBondContact N-O 2.62Å; M173-I292 HydrophobicContact CB-CG2 4.37Å; M173-I292 HydrophobicContact CE-CG2 3.96Å; M173-R295 HydrophobicContact CE-CB 4.18Å; M173-R295 HydrophobicContact CE-CG 4.23Å
174	C	96.7	Very high	94.9	Very high	24 Å²	24	21.2 Å²	21.2	16%	0.162	12%	0.115	C	C	.	.	S	Bend	trans	-140.9	70.7	-174.4	-64.1	0	0	0	0	109	N204 D258	C174-N204 CarbonylContact C-O 3.45Å; C174-N204 WeakPolarHBondContact CA-O 3.41Å; C174-N204 PolarHBondContact N-O 3.46Å; C174-D258 WeakPolarHBondContact CB-O 3.42Å
175	A	95.8	Very high	94.7	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.041	11%	0.113	C	C	.	.			trans	-80.6	-31.3	-159.6	0	0	0	0	0	115	D172 G178 T181 A203 N204 L214	D172-A175 HydrophobicContact CB-CB 4.13Å; D172-A175 WeakPolarHBondContact OD2-CA 3.31Å; D172-A175 WeakPolarHBondContact OD2-CB 3.31Å; A175-G178 WeakPolarHBondContact O-CA 3.18Å; A175-G178 PolarHBondContact O-N 3.14Å; A175-T181 WeakPolarHBondContact CB-OG1 3.35Å; A175-A203 HydrophobicContact CB-CB 3.79Å; A175-N204 WeakPolarHBondContact CB-O 3.49Å; A175-N204 PolarHBondContact N-O 3.27Å; A175-L214 HydrophobicContact CB-CD1 4.23Å; A175-L214 HydrophobicContact CB-CD2 3.65Å
176	A	90.9	Very high	94.6	Very high	7 Å²	7	16.5 Å²	16.5	6%	0.058	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	141.2	-171.7	0	0	0	0	0	111.4	D205 R210 L214	A176-D205 HydrophobicContact CB-CB 4.03Å; A176-D205 WeakPolarHBondContact CB-OD2 3.39Å; A176-D205 PolarHBondContact N-OD2 3.03Å; A176-D205 VanDerWaalsContact N-OD2 3.09Å; A176-R210 HydrophobicContact CB-CB 3.59Å; A176-R210 PolarHBondContact O-NH2 3.34Å; A176-L214 HydrophobicContact CB-CB 4.29Å
177	P	89.8	Confident	94.6	Very high	78 Å²	78	17.4 Å²	17.4	51%	0.506	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	-0.1	15.8	32.9	-37.1	0	0	0	115.8	L214	P177-L214 WeakPolarHBondContact O-CA 3.3Å
178	G	92.1	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.			trans	103.4	9.4	170.5	0	0	0	0	0	116.6	A175 A182	A175-G178 WeakPolarHBondContact O-CA 3.18Å; A175-G178 PolarHBondContact O-N 3.14Å; G178-A182 VanDerWaalsContact O-CB 3.28Å; G178-A182 WeakPolarHBondContact O-CB 3.36Å; G178-A182 PolarHBondContact O-N 3.14Å
179	S	92.3	Very high	94	Very high	30 Å²	30	13 Å²	13	21%	0.21	8%	0.076	C	C	.	.	H	α-helix	trans	-66.1	-44.1	177.3	52.7	0	0	0	0	112.4	A182 Q183	S179-A182 PolarHBondContact O-N 3.49Å; S179-Q183 PolarHBondContact O-N 3.13Å; S179-Q183 VanDerWaalsContact O-N 3.15Å
180	K	95.8	Very high	93.3	Very high	18 Å²	18	14.2 Å²	14.2	8%	0.078	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-46.6	173.6	-63.7	-170.7	178.7	72.3	0	110.8	S155 P159 A182 Q183 L184 L256 D258	S155-K180 WeakPolarHBondContact O-CE 3.5Å; S155-K180 WeakPolarHBondContact OG-CE 3.46Å; S155-K180 PolarHBondContact OG-NZ 3.44Å; P159-K180 HydrophobicContact CG-CB 3.99Å; P159-K180 HydrophobicContact CG-CG 4.22Å; K180-A182 VanDerWaalsContact C-N 3.3Å; K180-A182 PolarHBondContact O-N 3.27Å; K180-Q183 CarbonylContact O-C 3.51Å; K180-Q183 WeakPolarHBondContact O-CA 3.4Å; K180-Q183 VanDerWaalsContact O-CB 3.31Å; K180-Q183 WeakPolarHBondContact O-CB 3.41Å; K180-Q183 PolarHBondContact O-N 3.29Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 2.94Å; K180-L256 HydrophobicContact CB-CD2 3.83Å; K180-L256 HydrophobicContact CD-CD2 3.93Å; K180-D258 HydrophobicContact CD-CB 4.05Å; K180-D258 VanDerWaalsContact CE-CG 3.47Å; K180-D258 VanDerWaalsContact CE-OD2 3.25Å; K180-D258 WeakPolarHBondContact CE-OD2 3.36Å; K180-D258 VanDerWaalsContact NZ-CG 3.27Å; K180-D258 IonicContact NZ-OD1 3.65Å; K180-D258 PolarHBondContact NZ-OD1 2.73Å; K180-D258 IonicContact NZ-OD2 3.07Å; K180-D258 PolarHBondContact NZ-OD2 2.96Å
181	T	96.1	Very high	92.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.1	-43	175.8	-39	0	0	0	0	112.7	D172 A175 Q183 L184 I185 V201 A203 L214 I226	D172-T181 PolarHBondContact OD2-OG1 3.13Å; A175-T181 WeakPolarHBondContact CB-OG1 3.35Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.97Å; T181-L184 WeakPolarHBondContact O-CB 3.2Å; T181-L184 PolarHBondContact O-N 2.99Å; T181-L184 VanDerWaalsContact O-N 3.16Å; T181-I185 HydrophobicContact CG2-CD1 4.48Å; T181-I185 WeakPolarHBondContact O-CG1 3.16Å; T181-I185 PolarHBondContact O-N 3.19Å; T181-V201 HydrophobicContact CG2-CG1 3.85Å; T181-A203 HydrophobicContact CG2-CB 3.51Å; T181-L214 HydrophobicContact CG2-CD1 4.13Å; T181-I226 HydrophobicContact CG2-CD1 3.87Å
182	A	93.3	Very high	90.7	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-59	-44.8	174.9	0	0	0	0	0	111.3	G178 S179 K180 L184 I185 E186 L221	G178-A182 VanDerWaalsContact O-CB 3.28Å; G178-A182 WeakPolarHBondContact O-CB 3.36Å; G178-A182 PolarHBondContact O-N 3.14Å; S179-A182 PolarHBondContact O-N 3.49Å; K180-A182 VanDerWaalsContact C-N 3.3Å; K180-A182 PolarHBondContact O-N 3.27Å; A182-L184 PolarHBondContact O-N 3.17Å; A182-I185 PolarHBondContact O-N 3.14Å; A182-E186 VanDerWaalsContact O-CG 3.3Å; A182-E186 WeakPolarHBondContact O-CG 3.32Å; A182-E186 PolarHBondContact O-N 2.99Å; A182-L221 HydrophobicContact CB-CD1 3.74Å; A182-L221 VanDerWaalsContact O-CD1 3.29Å; A182-L221 WeakPolarHBondContact O-CD1 3.5Å
183	Q	94.4	Very high	89.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-39.3	173.5	-173.3	173.5	9.6	0	0	112.7	M156 P159 S179 K180 T181 I185 E186 M187	M156-Q183 PolarHBondContact O-NE2 3.34Å; P159-Q183 HydrophobicContact CB-CB 4.19Å; P159-Q183 HydrophobicContact CB-CG 3.7Å; P159-Q183 HydrophobicContact CG-CB 4.27Å; P159-Q183 HydrophobicContact CG-CG 4.18Å; S179-Q183 PolarHBondContact O-N 3.13Å; S179-Q183 VanDerWaalsContact O-N 3.15Å; K180-Q183 CarbonylContact O-C 3.51Å; K180-Q183 WeakPolarHBondContact O-CA 3.4Å; K180-Q183 VanDerWaalsContact O-CB 3.31Å; K180-Q183 WeakPolarHBondContact O-CB 3.41Å; K180-Q183 PolarHBondContact O-N 3.29Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.97Å; Q183-I185 PolarHBondContact O-N 2.91Å; Q183-E186 WeakPolarHBondContact O-CB 3.44Å; Q183-E186 PolarHBondContact O-N 3.04Å; Q183-M187 HydrophobicContact CG-SD 4.25Å; Q183-M187 VanDerWaalsContact O-CG 3.29Å; Q183-M187 WeakPolarHBondContact O-CG 3.36Å; Q183-M187 PolarHBondContact O-N 3.47Å
184	L	95.3	Very high	87.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-43.5	175	-57.9	174.3	0	0	0	111.6	P159 L162 I164 I170 D172 K180 T181 A182 E186 M187 L188 V201 L256	P159-L184 HydrophobicContact CB-CD2 3.82Å; P159-L184 HydrophobicContact CG-CD2 4.23Å; L162-L184 HydrophobicContact CD1-CD2 3.66Å; I164-L184 HydrophobicContact CD1-CB 4.18Å; I164-L184 HydrophobicContact CD1-CD2 3.24Å; I164-L184 HydrophobicContact CD1-CG 4.29Å; I170-L184 HydrophobicContact CG2-CD1 3.94Å; D172-L184 HydrophobicContact CB-CD1 3.98Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 2.94Å; T181-L184 WeakPolarHBondContact O-CB 3.2Å; T181-L184 PolarHBondContact O-N 2.99Å; T181-L184 VanDerWaalsContact O-N 3.16Å; A182-L184 PolarHBondContact O-N 3.17Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-M187 PolarHBondContact O-N 2.66Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 PolarHBondContact O-N 2.76Å; L184-V201 HydrophobicContact CB-CG2 4.22Å; L184-V201 HydrophobicContact CD1-CG1 4.35Å; L184-L256 HydrophobicContact CD1-CD2 4.09Å
185	I	92.4	Very high	86.2	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-44.4	177.2	-65.3	165.4	0	0	0	110.1	T181 A182 Q183 M187 L188 H189 V201 A218 L221 S223 I226	T181-I185 HydrophobicContact CG2-CD1 4.48Å; T181-I185 WeakPolarHBondContact O-CG1 3.16Å; T181-I185 PolarHBondContact O-N 3.19Å; A182-I185 PolarHBondContact O-N 3.14Å; Q183-I185 PolarHBondContact O-N 2.91Å; I185-M187 VanDerWaalsContact C-N 3.34Å; I185-M187 PolarHBondContact O-N 3.24Å; I185-L188 WeakPolarHBondContact O-CB 3.48Å; I185-L188 PolarHBondContact O-N 3.1Å; I185-H189 WeakPolarHBondContact O-CB 3.17Å; I185-H189 PolarHBondContact O-CD2 2.9Å; I185-H189 VanDerWaalsContact O-CD2 3.27Å; I185-H189 PolarHBondContact O-N 3Å; I185-H189 VanDerWaalsContact O-N 3.13Å; I185-V201 HydrophobicContact CG1-CB 4.42Å; I185-V201 HydrophobicContact CG1-CG2 4.05Å; I185-A218 HydrophobicContact CD1-CB 4.1Å; I185-L221 HydrophobicContact CB-CD1 3.87Å; I185-L221 HydrophobicContact CD1-CD1 4.14Å; I185-L221 HydrophobicContact CG2-CB 4.25Å; I185-L221 HydrophobicContact CG2-CD1 3.92Å; I185-S223 VanDerWaalsContact CG2-CB 3.42Å; I185-I226 HydrophobicContact CD1-CB 4.09Å; I185-I226 HydrophobicContact CD1-CD1 3.43Å; I185-I226 VanDerWaalsContact CD1-CD1 3.43Å; I185-I226 HydrophobicContact CD1-CG1 4.28Å; I185-I226 HydrophobicContact CD1-CG2 4.35Å; I185-I226 HydrophobicContact CG1-CD1 4.32Å
186	E	90	Very high	85.3	Confident	9 Å²	9	36.8 Å²	36.8	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-45	177.3	-70	170.3	-146.6	0	0	112	R69 T71 G72 A182 Q183 L184 H189 S190 L221	R69-E186 IonicContact CZ-OE1 2.66Å; R69-E186 IonicContact CZ-OE2 2.96Å; R69-E186 IonicContact NH1-OE1 3.46Å; R69-E186 IonicContact NH1-OE2 3.44Å; R69-E186 PolarHBondContact NH1-OE2 2.88Å; R69-E186 IonicContact NH2-OE1 3.42Å; R69-E186 PolarHBondContact NH2-OE1 2.99Å; R69-E186 IonicContact NH2-OE2 3.59Å; R69-E186 PolarHBondContact NH2-OE2 3.33Å; T71-E186 VanDerWaalsContact CA-OE2 3.3Å; T71-E186 WeakPolarHBondContact CA-OE2 3.29Å; T71-E186 VanDerWaalsContact CG2-CD 3.42Å; T71-E186 HydrophobicContact CG2-CG 3.63Å; T71-E186 WeakPolarHBondContact CG2-OE1 3.47Å; T71-E186 PolarHBondContact OG1-OE1 3.08Å; G72-E186 PolarHBondContact N-OE2 2.87Å; A182-E186 VanDerWaalsContact O-CG 3.3Å; A182-E186 WeakPolarHBondContact O-CG 3.32Å; A182-E186 PolarHBondContact O-N 2.99Å; Q183-E186 WeakPolarHBondContact O-CB 3.44Å; Q183-E186 PolarHBondContact O-N 3.04Å; L184-E186 VanDerWaalsContact C-N 3.34Å; E186-H189 CarbonylContact O-C 3.52Å; E186-H189 PolarHBondContact O-N 3.34Å; E186-S190 PolarHBondContact O-N 3.15Å; E186-S190 VanDerWaalsContact O-N 3.12Å; E186-L221 HydrophobicContact CG-CD1 4.14Å; E186-L221 HydrophobicContact CG-CD2 4.23Å
187	M	91.3	Very high	85	Confident	36 Å²	36	36.6 Å²	36.6	18%	0.177	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-38.2	179.1	-66.6	174.7	76.3	0	0	112.2	P159 L160 I164 Q183 L184 I185 H189 S190	P159-M187 HydrophobicContact CB-SD 4.06Å; P159-M187 WeakPolarHBondContact O-CE 3.11Å; L160-M187 HydrophobicContact CD2-CE 4.41Å; I164-M187 HydrophobicContact CB-CB 3.93Å; I164-M187 HydrophobicContact CB-CE 4.28Å; I164-M187 HydrophobicContact CD1-CB 4.25Å; I164-M187 HydrophobicContact CD1-CE 4.47Å; I164-M187 HydrophobicContact CD1-SD 4.11Å; I164-M187 HydrophobicContact CG2-CB 3.98Å; Q183-M187 HydrophobicContact CG-SD 4.25Å; Q183-M187 VanDerWaalsContact O-CG 3.29Å; Q183-M187 WeakPolarHBondContact O-CG 3.36Å; Q183-M187 PolarHBondContact O-N 3.47Å; L184-M187 PolarHBondContact O-N 2.66Å; I185-M187 VanDerWaalsContact C-N 3.34Å; I185-M187 PolarHBondContact O-N 3.24Å; M187-H189 PolarHBondContact O-N 2.92Å; M187-S190 VanDerWaalsContact O-CB 3.32Å; M187-S190 WeakPolarHBondContact O-CB 3.42Å; M187-S190 PolarHBondContact O-N 2.74Å; M187-S190 PolarHBondContact O-OG 3.28Å
188	L	91.4	Very high	84.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-34.8	174.4	-177.7	71.8	0	0	0	111.4	I164 S166 I170 L184 I185 P197 V201 C225	I164-L188 HydrophobicContact CG2-CB 4.31Å; S166-L188 VanDerWaalsContact CA-O 3.26Å; S166-L188 WeakPolarHBondContact CA-O 3.48Å; S166-L188 WeakPolarHBondContact CB-O 3.36Å; S166-L188 PolarHBondContact OG-O 2.66Å; I170-L188 HydrophobicContact CD1-CB 4.4Å; I170-L188 HydrophobicContact CD1-CD1 4.05Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 PolarHBondContact O-N 2.76Å; I185-L188 WeakPolarHBondContact O-CB 3.48Å; I185-L188 PolarHBondContact O-N 3.1Å; L188-P197 HydrophobicContact CD2-CG 4.37Å; L188-P197 HydrophobicContact CG-CB 4.13Å; L188-P197 HydrophobicContact CG-CG 4.26Å; L188-V201 HydrophobicContact CD2-CG2 4.3Å; L188-C225 HydrophobicContact CD2-CB 3.85Å
189	H	86.9	Confident	84.9	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.051	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.1	179.4	-84.4	-82.6	0	0	0	113.2	Y73 I185 E186 M187 D191 P197 S223	Y73-H189 HydrophobicContact CD1-CB 3.71Å; Y73-H189 AromaticContact CD1-CG 3.99Å; Y73-H189 HydrophobicContact CD2-CB 3.49Å; Y73-H189 VanDerWaalsContact CD2-CB 3.49Å; Y73-H189 WeakPolarHBondContact CD2-O 3.44Å; Y73-H189 HydrophobicContact CE1-CB 3.69Å; Y73-H189 AromaticContact CE1-CG 3.65Å; Y73-H189 AromaticContact CE1-ND1 3.26Å; Y73-H189 VanDerWaalsContact CE1-ND1 3.26Å; Y73-H189 WeakPolarHBondContact CE1-ND1 3.36Å; Y73-H189 HydrophobicContact CE2-CB 3.56Å; Y73-H189 WeakPolarHBondContact CE2-O 3.48Å; Y73-H189 HydrophobicContact CG-CB 3.55Å; Y73-H189 AromaticContact CZ-CG 3.75Å; Y73-H189 AromaticContact CZ-ND1 3.27Å; Y73-H189 VanDerWaalsContact CZ-ND1 3.27Å; Y73-H189 PolarHBondContact OH-ND1 3.27Å; Y73-H189 VanDerWaalsContact OH-ND1 3.1Å; I185-H189 WeakPolarHBondContact O-CB 3.17Å; I185-H189 PolarHBondContact O-CD2 2.9Å; I185-H189 VanDerWaalsContact O-CD2 3.27Å; I185-H189 PolarHBondContact O-N 3Å; I185-H189 VanDerWaalsContact O-N 3.13Å; E186-H189 CarbonylContact O-C 3.52Å; E186-H189 PolarHBondContact O-N 3.34Å; M187-H189 PolarHBondContact O-N 2.92Å; H189-D191 CarbonylContact O-C 3.58Å; H189-D191 PolarHBondContact O-N 3.07Å; H189-P197 WeakPolarHBondContact CE1-CD 3.48Å; H189-P197 WeakPolarHBondContact CE1-CG 3.4Å; H189-S223 WeakPolarHBondContact NE2-CB 3.05Å; H189-S223 PolarHBondContact NE2-OG 2.85Å
190	S	81.4	Confident	85.1	Confident	73 Å²	73	37.4 Å²	37.4	51%	0.51	20%	0.203	S	C	.	.			trans	-53.1	-28.5	-172.5	56.7	0	0	0	0	116.3	E186 M187 M192	E186-S190 PolarHBondContact O-N 3.15Å; E186-S190 VanDerWaalsContact O-N 3.12Å; M187-S190 VanDerWaalsContact O-CB 3.32Å; M187-S190 WeakPolarHBondContact O-CB 3.42Å; M187-S190 PolarHBondContact O-N 2.74Å; M187-S190 PolarHBondContact O-OG 3.28Å; S190-M192 PolarHBondContact O-N 3.28Å
191	D	75.6	Confident	85.2	Confident	67 Å²	67	36.6 Å²	36.6	36%	0.358	20%	0.199	S	C	.	.			trans	-78.1	105.9	172.7	-168.3	-14.7	0	0	0	111.5	H189 D193 V194	H189-D191 CarbonylContact O-C 3.58Å; H189-D191 PolarHBondContact O-N 3.07Å; D191-D193 VanDerWaalsContact C-N 3.29Å; D191-D193 PolarHBondContact O-N 3.27Å; D191-D193 WeakPolarHBondContact OD1-CB 3.3Å; D191-D193 PolarHBondContact OD1-N 3.26Å; D191-V194 HydrophobicContact CB-CB 4.49Å; D191-V194 HydrophobicContact CB-CG2 4.31Å; D191-V194 PolarHBondContact O-N 3.21Å
192	M	67.8	Low	85.2	Confident	103 Å²	103	36.6 Å²	36.6	51%	0.507	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.1	179.4	-63.5	-62.7	-54.8	0	0	113.3	Y73 S190	Y73-M192 HydrophobicContact CD2-SD 3.49Å; Y73-M192 WeakPolarHBondContact CD2-SD 3.33Å; Y73-M192 HydrophobicContact CE2-CE 4.22Å; Y73-M192 HydrophobicContact CE2-SD 3.3Å; Y73-M192 WeakPolarHBondContact CE2-SD 3.31Å; S190-M192 PolarHBondContact O-N 3.28Å
193	D	66.4	Low	85.5	Confident	151 Å²	151	36.4 Å²	36.4	81%	0.807	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-12.5	177.4	-66.6	-34.7	0	0	0	111.7	D191 P195	D191-D193 VanDerWaalsContact C-N 3.29Å; D191-D193 PolarHBondContact O-N 3.27Å; D191-D193 WeakPolarHBondContact OD1-CB 3.3Å; D191-D193 PolarHBondContact OD1-N 3.26Å; D193-P195 WeakPolarHBondContact O-CD 3.41Å
194	V	68.1	Low	85.6	Confident	49 Å²	49	36.4 Å²	36.4	30%	0.297	20%	0.197	S	C	.	.			trans	-103.7	100.6	174.3	-177.2	0	0	0	0	109.1	D191 F196	D191-V194 HydrophobicContact CB-CB 4.49Å; D191-V194 HydrophobicContact CB-CG2 4.31Å; D191-V194 PolarHBondContact O-N 3.21Å; V194-F196 WeakPolarHBondContact CG1-O 3.37Å; V194-F196 PolarHBondContact O-N 3.13Å; V194-F196 VanDerWaalsContact O-N 3.12Å
195	P	63.7	Low	85.7	Confident	89 Å²	89	36.9 Å²	36.9	58%	0.578	20%	0.2	S	C	*	.	S	Bend	trans	-64.6	-21.5	-179.4	-20.6	32.9	0	0	0	113	D193	D193-P195 WeakPolarHBondContact O-CD 3.41Å
196	F	76.1	Confident	85.8	Confident	45 Å²	45	41.5 Å²	41.5	20%	0.197	23%	0.228	C	C	.	.	S	Bend	trans	-145.6	97.5	-172.4	-160.1	-88.1	0	0	0	110	V194 P224 M552 S554 T600	V194-F196 WeakPolarHBondContact CG1-O 3.37Å; V194-F196 PolarHBondContact O-N 3.13Å; V194-F196 VanDerWaalsContact O-N 3.12Å; F196-P224 HydrophobicContact CD2-CG 4.02Å; F196-P224 HydrophobicContact CE2-CB 3.81Å; F196-P224 HydrophobicContact CE2-CG 3.33Å; F196-P224 HydrophobicContact CZ-CB 4.05Å; F196-P224 HydrophobicContact CZ-CG 3.86Å; F196-M552 HydrophobicContact CE2-CE 4.14Å; F196-S554 VanDerWaalsContact CE1-CA 3.42Å; F196-S554 VanDerWaalsContact CE1-CB 3.41Å; F196-T600 HydrophobicContact CD2-CG2 3.97Å; F196-T600 HydrophobicContact CE2-CG2 3.73Å
197	P	84.6	Confident	86	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.013	24%	0.243	C	C	.	.			trans	-63.4	142.5	-177.5	21.9	-28.1	0	0	0	110.9	S166 L188 H189	S166-P197 VanDerWaalsContact O-CB 3.3Å; S166-P197 WeakPolarHBondContact O-CB 3.32Å; L188-P197 HydrophobicContact CD2-CG 4.37Å; L188-P197 HydrophobicContact CG-CB 4.13Å; L188-P197 HydrophobicContact CG-CG 4.26Å; H189-P197 WeakPolarHBondContact CE1-CD 3.48Å; H189-P197 WeakPolarHBondContact CE1-CG 3.4Å
198	E	87.7	Confident	86.1	Confident	125 Å²	125	43.7 Å²	43.7	58%	0.584	24%	0.241	S	C	*	.	S	Bend	trans	-71.4	-35	176.9	-176.8	176.8	-178	0	0	111.4	S166 H167 E556	S166-E198 PolarHBondContact O-N 2.97Å; H167-E198 HydrophobicContact CB-CB 4.49Å; E198-E556 HydrophobicContact CG-CG 4.09Å; E198-E556 VanDerWaalsContact O-CG 3.3Å; E198-E556 WeakPolarHBondContact O-CG 3.33Å
199	G	93	Very high	86.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.			trans	-70.8	175.7	179	0	0	0	0	0	113.7	S166 H168 C225	S166-G199 WeakPolarHBondContact O-CA 3.48Å; S166-G199 PolarHBondContact O-N 3.17Å; H168-G199 VanDerWaalsContact O-CA 3.23Å; H168-G199 WeakPolarHBondContact O-CA 3.3Å; G199-C225 WeakPolarHBondContact O-CB 3.42Å
200	F	95.8	Very high	86.4	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162	-179.8	61	-96.8	0	0	0	112.3	H168 K169 I170 I202 C225 L250 Y252 E556 L557 V560	H168-F200 PolarHBondContact O-N 3.47Å; K169-F200 HydrophobicContact CB-CE1 4.18Å; K169-F200 HydrophobicContact CB-CE2 4.4Å; K169-F200 HydrophobicContact CB-CZ 3.99Å; K169-F200 HydrophobicContact CD-CE1 3.91Å; K169-F200 HydrophobicContact CD-CZ 4.09Å; K169-F200 HydrophobicContact CG-CD1 4.3Å; K169-F200 HydrophobicContact CG-CE1 3.69Å; K169-F200 HydrophobicContact CG-CZ 3.97Å; I170-F200 PolarHBondContact N-O 2.93Å; F200-I202 HydrophobicContact CD2-CD1 4.23Å; F200-I202 HydrophobicContact CD2-CG1 3.82Å; F200-I202 HydrophobicContact CE2-CD1 3.62Å; F200-I202 HydrophobicContact CE2-CG1 3.71Å; F200-C225 CarbonylContact C-O 3.58Å; F200-C225 VanDerWaalsContact CA-O 3.23Å; F200-C225 WeakPolarHBondContact CA-O 3.36Å; F200-C225 HydrophobicContact CB-CB 4.29Å; F200-C225 VanDerWaalsContact CB-O 3.3Å; F200-C225 WeakPolarHBondContact CB-O 3.49Å; F200-L250 HydrophobicContact CE2-CD2 4.43Å; F200-L250 HydrophobicContact CZ-CD1 4.16Å; F200-L250 HydrophobicContact CZ-CD2 3.99Å; F200-Y252 HydrophobicContact CE2-CE1 4.25Å; F200-E556 HydrophobicContact CD1-CB 3.71Å; F200-E556 HydrophobicContact CE1-CB 3.81Å; F200-L557 HydrophobicContact CB-CD1 3.96Å; F200-L557 HydrophobicContact CD2-CD1 3.71Å; F200-L557 HydrophobicContact CE2-CD1 4.38Å; F200-L557 HydrophobicContact CG-CD1 3.82Å; F200-V560 HydrophobicContact CE1-CG2 4.34Å; F200-V560 HydrophobicContact CZ-CG2 3.91Å
201	V	97.4	Very high	87	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	175.2	-174.9	0	0	0	0	109.7	I170 T181 L184 I185 L188 C225 I226 M227	I170-V201 HydrophobicContact CB-CG2 4.23Å; I170-V201 HydrophobicContact CD1-CG2 3.91Å; I170-V201 WeakPolarHBondContact O-CA 3.38Å; T181-V201 HydrophobicContact CG2-CG1 3.85Å; L184-V201 HydrophobicContact CB-CG2 4.22Å; L184-V201 HydrophobicContact CD1-CG1 4.35Å; I185-V201 HydrophobicContact CG1-CB 4.42Å; I185-V201 HydrophobicContact CG1-CG2 4.05Å; L188-V201 HydrophobicContact CD2-CG2 4.3Å; V201-C225 PolarHBondContact N-O 2.96Å; V201-I226 WeakPolarHBondContact O-CA 3.23Å; V201-M227 PolarHBondContact O-N 3.34Å
202	I	97.4	Very high	87.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.8	164.5	-64.6	-177	0	0	0	107.7	I170 L171 D172 F200 M227 V229 L239 Y252 V560	I170-I202 PolarHBondContact O-N 3.35Å; L171-I202 WeakPolarHBondContact CA-O 3.31Å; L171-I202 HydrophobicContact CD1-CB 4.06Å; L171-I202 HydrophobicContact CD1-CG2 3.87Å; D172-I202 PolarHBondContact N-O 3.36Å; F200-I202 HydrophobicContact CD2-CD1 4.23Å; F200-I202 HydrophobicContact CD2-CG1 3.82Å; F200-I202 HydrophobicContact CE2-CD1 3.62Å; F200-I202 HydrophobicContact CE2-CG1 3.71Å; I202-M227 WeakPolarHBondContact CA-O 3.3Å; I202-M227 HydrophobicContact CD1-CE 3.25Å; I202-M227 HydrophobicContact CG1-CB 4.47Å; I202-M227 HydrophobicContact CG1-CE 3.53Å; I202-M227 HydrophobicContact CG2-CE 4.28Å; I202-V229 HydrophobicContact CG2-CG1 3.98Å; I202-V229 HydrophobicContact CG2-CG2 3.83Å; I202-L239 HydrophobicContact CD1-CD1 3.74Å; I202-Y252 HydrophobicContact CB-CE1 4.28Å; I202-Y252 HydrophobicContact CD1-CE1 3.9Å; I202-Y252 WeakPolarHBondContact CD1-OH 3.39Å; I202-Y252 HydrophobicContact CG1-CE1 4.28Å; I202-V560 HydrophobicContact CD1-CG1 4.29Å
203	A	97.9	Very high	88.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.1	-177.3	0	0	0	0	0	110	A175 T181 L214 I226 M227 V228 V229	A175-A203 HydrophobicContact CB-CB 3.79Å; T181-A203 HydrophobicContact CG2-CB 3.51Å; A203-L214 HydrophobicContact CB-CD1 4.42Å; A203-L214 HydrophobicContact CB-CD2 3.89Å; A203-I226 HydrophobicContact CB-CD1 4.35Å; A203-M227 PolarHBondContact N-O 3.4Å; A203-V228 HydrophobicContact CB-CG2 4.48Å; A203-V228 CarbonylContact O-C 3.54Å; A203-V228 WeakPolarHBondContact O-CA 3.26Å; A203-V229 PolarHBondContact O-N 2.99Å
204	N	97.6	Very high	90.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.1	-175.2	178.1	69.8	0	0	0	111.8	D172 M173 C174 A175 V229 H231 I236	D172-N204 WeakPolarHBondContact O-CB 3.03Å; D172-N204 PolarHBondContact O-N 2.72Å; M173-N204 CarbonylContact C-O 3.5Å; M173-N204 PolarHBondContact O-ND2 3.05Å; C174-N204 CarbonylContact C-O 3.45Å; C174-N204 WeakPolarHBondContact CA-O 3.41Å; C174-N204 PolarHBondContact N-O 3.46Å; A175-N204 WeakPolarHBondContact CB-O 3.49Å; A175-N204 PolarHBondContact N-O 3.27Å; N204-V229 WeakPolarHBondContact CA-O 3.23Å; N204-V229 HydrophobicContact CB-CG2 3.61Å; N204-V229 WeakPolarHBondContact OD1-CG2 3.42Å; N204-H231 PolarHBondContact ND2-O 3.14Å; N204-H231 WeakPolarHBondContact OD1-CB 3.3Å; N204-H231 PolarHBondContact OD1-N 3.15Å; N204-H231 PolarHBondContact OD1-O 3.07Å; N204-I236 HydrophobicContact CB-CD1 3.89Å
205	D	96.9	Very high	91.3	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.053	22%	0.219	C	C	.	.			trans	-141.7	148	164.3	-160.2	-75.1	0	0	0	110.6	A176 D207 V229 N230 H231	A176-D205 HydrophobicContact CB-CB 4.03Å; A176-D205 WeakPolarHBondContact CB-OD2 3.39Å; A176-D205 PolarHBondContact N-OD2 3.03Å; A176-D205 VanDerWaalsContact N-OD2 3.09Å; D205-D207 PolarHBondContact OD1-N 3.23Å; D205-V229 PolarHBondContact N-O 3.4Å; D205-N230 VanDerWaalsContact O-CA 3.28Å; D205-N230 WeakPolarHBondContact O-CA 3.4Å; D205-N230 PolarHBondContact O-ND2 3.3Å; D205-H231 PolarHBondContact O-N 3.3Å
206	V	95.4	Very high	92.5	Very high	100 Å²	100	45 Å²	45	61%	0.606	21%	0.214	S	C	*	.	S	Bend	trans	-76.7	-30.7	-179.5	68.9	0	0	0	0	111.8	N230 D232	V206-N230 PolarHBondContact O-ND2 3.46Å; V206-D232 HydrophobicContact CG2-CB 4.29Å
207	D	94.3	Very high	93	Very high	67 Å²	67	45 Å²	45	36%	0.358	22%	0.215	S	C	.	.			trans	-88.9	117.7	179.5	-177	-16.8	0	0	0	110.6	D205 K209 R210 C211	D205-D207 PolarHBondContact OD1-N 3.23Å; D207-K209 VanDerWaalsContact C-N 3.33Å; D207-K209 PolarHBondContact O-N 3.16Å; D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.85Å; D207-R210 HydrophobicContact CB-CB 3.92Å; D207-R210 HydrophobicContact CB-CG 3.92Å; D207-R210 PolarHBondContact O-N 2.67Å; D207-R210 PolarHBondContact OD1-N 3.33Å; D207-C211 PolarHBondContact O-N 2.99Å; D207-C211 PolarHBondContact O-SG 3.26Å
208	N	92.1	Very high	93.2	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-36.5	179.9	-172.9	-103	0	0	0	113.1	C211 Y212 K569 I571	N208-C211 WeakPolarHBondContact O-CB 3.33Å; N208-C211 PolarHBondContact O-N 2.97Å; N208-Y212 WeakPolarHBondContact O-CD2 3.26Å; N208-Y212 PolarHBondContact O-N 2.9Å; N208-Y212 WeakPolarHBondContact OD1-CE2 3.4Å; N208-K569 PolarHBondContact ND2-NZ 3.06Å; N208-I571 VanDerWaalsContact ND2-CD1 3.31Å; N208-I571 WeakPolarHBondContact ND2-CD1 3.48Å
209	K	92.3	Very high	93.1	Very high	164 Å²	164	44 Å²	44	71%	0.713	21%	0.208	S	C	*	.	H	α-helix	trans	-66.7	-42.9	176.7	-65.1	179.4	-178.7	175.5	0	110.5	D207 C211 Y212 L213	D207-K209 VanDerWaalsContact C-N 3.33Å; D207-K209 PolarHBondContact O-N 3.16Å; D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.85Å; K209-C211 VanDerWaalsContact C-N 3.29Å; K209-C211 PolarHBondContact O-N 3.15Å; K209-Y212 WeakPolarHBondContact O-CB 3.26Å; K209-Y212 PolarHBondContact O-N 2.81Å; K209-Y212 VanDerWaalsContact O-N 3.12Å; K209-L213 PolarHBondContact O-N 3.09Å
210	R	93.3	Very high	92.7	Very high	76 Å²	76	46.4 Å²	46.4	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-31.7	176.5	-68.7	-179.7	56	152.5	-2.4	112.3	A176 D207 Y212 L213 L214 E732	A176-R210 HydrophobicContact CB-CB 3.59Å; A176-R210 PolarHBondContact O-NH2 3.34Å; D207-R210 HydrophobicContact CB-CB 3.92Å; D207-R210 HydrophobicContact CB-CG 3.92Å; D207-R210 PolarHBondContact O-N 2.67Å; D207-R210 PolarHBondContact OD1-N 3.33Å; R210-Y212 VanDerWaalsContact C-N 3.28Å; R210-Y212 PolarHBondContact O-N 3.24Å; R210-L213 WeakPolarHBondContact O-CB 3.29Å; R210-L213 PolarHBondContact O-N 2.95Å; R210-L214 PolarHBondContact O-N 3.49Å; R210-E732 IonicContact CZ-OE1 2.72Å; R210-E732 IonicContact NH1-OE1 2.77Å; R210-E732 PolarHBondContact NH1-OE1 3.02Å
211	C	93.5	Very high	92.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-39.6	170.7	-66.1	0	0	0	0	112.2	D207 N208 K209 L214 V215 V228 I571	D207-C211 PolarHBondContact O-N 2.99Å; D207-C211 PolarHBondContact O-SG 3.26Å; N208-C211 WeakPolarHBondContact O-CB 3.33Å; N208-C211 PolarHBondContact O-N 2.97Å; K209-C211 VanDerWaalsContact C-N 3.29Å; K209-C211 PolarHBondContact O-N 3.15Å; C211-L214 WeakPolarHBondContact O-CB 3.2Å; C211-L214 PolarHBondContact O-N 2.78Å; C211-V215 VanDerWaalsContact O-CG2 3.28Å; C211-V215 WeakPolarHBondContact O-CG2 3.1Å; C211-V215 PolarHBondContact O-N 3.19Å; C211-V228 HydrophobicContact CB-CG1 4.16Å; C211-I571 HydrophobicContact CB-CG1 4.09Å; C211-I571 HydrophobicContact CB-CG2 4.3Å
212	Y	91.9	Very high	91.5	Very high	108 Å²	108	49.7 Å²	49.7	42%	0.424	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-34.3	178.1	-75.3	-76.3	0	0	0	112.9	N208 K209 R210 V215 H216 E507 I571	N208-Y212 WeakPolarHBondContact O-CD2 3.26Å; N208-Y212 PolarHBondContact O-N 2.9Å; N208-Y212 WeakPolarHBondContact OD1-CE2 3.4Å; K209-Y212 WeakPolarHBondContact O-CB 3.26Å; K209-Y212 PolarHBondContact O-N 2.81Å; K209-Y212 VanDerWaalsContact O-N 3.12Å; R210-Y212 VanDerWaalsContact C-N 3.28Å; R210-Y212 PolarHBondContact O-N 3.24Å; Y212-V215 PolarHBondContact O-N 2.96Å; Y212-H216 PolarHBondContact O-N 3.26Å; Y212-E507 PolarHBondContact OH-OE1 3.36Å; Y212-I571 HydrophobicContact CD1-CG2 4.4Å; Y212-I571 HydrophobicContact CE1-CG2 4.13Å
213	L	91.3	Very high	91.1	Very high	102 Å²	102	50 Å²	50	53%	0.534	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-45.7	171.2	-64.3	174.6	0	0	0	111	K209 R210 V215 H216 Q217	K209-L213 PolarHBondContact O-N 3.09Å; R210-L213 WeakPolarHBondContact O-CB 3.29Å; R210-L213 PolarHBondContact O-N 2.95Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.34Å; L213-H216 WeakPolarHBondContact O-CB 3.34Å; L213-H216 PolarHBondContact O-N 3.21Å; L213-H216 VanDerWaalsContact O-N 3.14Å; L213-Q217 PolarHBondContact O-N 2.69Å
214	L	93.5	Very high	90.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-44.1	173.1	164.4	66.9	0	0	0	111.8	A175 A176 P177 T181 A203 R210 C211 H216 Q217 A218 V228	A175-L214 HydrophobicContact CB-CD1 4.23Å; A175-L214 HydrophobicContact CB-CD2 3.65Å; A176-L214 HydrophobicContact CB-CB 4.29Å; P177-L214 WeakPolarHBondContact O-CA 3.3Å; T181-L214 HydrophobicContact CG2-CD1 4.13Å; A203-L214 HydrophobicContact CB-CD1 4.42Å; A203-L214 HydrophobicContact CB-CD2 3.89Å; R210-L214 PolarHBondContact O-N 3.49Å; C211-L214 WeakPolarHBondContact O-CB 3.2Å; C211-L214 PolarHBondContact O-N 2.78Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 2.87Å; L214-Q217 PolarHBondContact O-N 3.35Å; L214-A218 WeakPolarHBondContact O-CB 3.39Å; L214-A218 PolarHBondContact O-N 3.13Å; L214-V228 HydrophobicContact CD2-CG1 3.63Å; L214-V228 HydrophobicContact CD2-CG2 4.17Å; L214-V228 HydrophobicContact CG-CG1 4.22Å; L214-V228 HydrophobicContact CG-CG2 4.15Å
215	V	92	Very high	90.5	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-44.6	175.1	170.4	0	0	0	0	111.2	C211 Y212 L213 Q217 A218 K219 V228 I571 N572	C211-V215 VanDerWaalsContact O-CG2 3.28Å; C211-V215 WeakPolarHBondContact O-CG2 3.1Å; C211-V215 PolarHBondContact O-N 3.19Å; Y212-V215 PolarHBondContact O-N 2.96Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.34Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 3.44Å; V215-A218 PolarHBondContact O-N 3.2Å; V215-K219 WeakPolarHBondContact O-CB 3.05Å; V215-K219 PolarHBondContact O-N 3.42Å; V215-V228 HydrophobicContact CG2-CB 3.97Å; V215-V228 HydrophobicContact CG2-CG1 4Å; V215-V228 HydrophobicContact CG2-CG2 3.85Å; V215-I571 HydrophobicContact CG2-CG2 4.3Å; V215-N572 HydrophobicContact CB-CB 4.31Å; V215-N572 HydrophobicContact CG1-CB 3.87Å; V215-N572 HydrophobicContact CG2-CB 3.37Å
216	H	88.7	Confident	90.4	Very high	102 Å²	102	50 Å²	50	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-42.2	178.8	-179.9	-118.2	0	0	0	112.2	Y212 L213 L214 R220	Y212-H216 PolarHBondContact O-N 3.26Å; L213-H216 WeakPolarHBondContact O-CB 3.34Å; L213-H216 PolarHBondContact O-N 3.21Å; L213-H216 VanDerWaalsContact O-N 3.14Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 2.87Å; H216-R220 PolarHBondContact CE1-NH2 2.93Å; H216-R220 PolarHBondContact ND1-NH2 3.2Å
217	Q	86.9	Confident	90.4	Very high	45 Å²	45	45.2 Å²	45.2	21%	0.21	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-50	176.7	-71.8	-62.2	107.8	0	0	111.8	L213 L214 V215 K219 R220	L213-Q217 PolarHBondContact O-N 2.69Å; L214-Q217 PolarHBondContact O-N 3.35Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 3.44Å; Q217-K219 VanDerWaalsContact C-N 3.34Å; Q217-K219 PolarHBondContact O-N 3.47Å; Q217-R220 PolarHBondContact O-N 2.85Å; Q217-R220 VanDerWaalsContact OE1-CZ 3.29Å; Q217-R220 VanDerWaalsContact OE1-NH2 3.1Å
218	A	87.9	Confident	90.4	Very high	3 Å²	3	42 Å²	42	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-32.6	-178.6	0	0	0	0	0	113.2	I185 L214 V215 R220 L221 I226	I185-A218 HydrophobicContact CD1-CB 4.1Å; L214-A218 WeakPolarHBondContact O-CB 3.39Å; L214-A218 PolarHBondContact O-N 3.13Å; V215-A218 PolarHBondContact O-N 3.2Å; A218-R220 PolarHBondContact O-N 3.36Å; A218-L221 WeakPolarHBondContact O-CB 3.29Å; A218-L221 PolarHBondContact O-N 2.79Å; A218-I226 HydrophobicContact CB-CD1 3.69Å
219	K	85.8	Confident	90.6	Very high	101 Å²	101	40.8 Å²	40.8	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-28.4	-179.4	-175.2	174.7	178.1	-173.6	0	112.5	V215 Q217 L221 N222 E596	V215-K219 WeakPolarHBondContact O-CB 3.05Å; V215-K219 PolarHBondContact O-N 3.42Å; Q217-K219 VanDerWaalsContact C-N 3.34Å; Q217-K219 PolarHBondContact O-N 3.47Å; K219-L221 PolarHBondContact O-N 3.4Å; K219-N222 PolarHBondContact O-N 3.31Å; K219-N222 VanDerWaalsContact O-N 3.08Å; K219-N222 PolarHBondContact O-OD1 3.43Å; K219-E596 VanDerWaalsContact CE-CD 3.49Å; K219-E596 WeakPolarHBondContact CE-OE2 3.31Å; K219-E596 IonicContact NZ-OE1 3.72Å; K219-E596 IonicContact NZ-OE2 3.8Å
220	R	84	Confident	90.7	Very high	51 Å²	51	33.9 Å²	33.9	19%	0.192	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23	177.2	-58.6	-179.5	-171	171	10.2	113.1	T143 H216 Q217 A218	T143-R220 PolarHBondContact O-NH1 3.12Å; H216-R220 PolarHBondContact CE1-NH2 2.93Å; H216-R220 PolarHBondContact ND1-NH2 3.2Å; Q217-R220 PolarHBondContact O-N 2.85Å; Q217-R220 VanDerWaalsContact OE1-CZ 3.29Å; Q217-R220 VanDerWaalsContact OE1-NH2 3.1Å; A218-R220 PolarHBondContact O-N 3.36Å
221	L	83.6	Confident	90.8	Very high	34 Å²	34	31.9 Å²	31.9	18%	0.178	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.3	177.3	-59.1	-179.2	0	0	0	113	T71 A182 I185 E186 A218 K219 S223	T71-L221 HydrophobicContact CG2-CD2 3.42Å; T71-L221 VanDerWaalsContact CG2-CD2 3.42Å; A182-L221 HydrophobicContact CB-CD1 3.74Å; A182-L221 VanDerWaalsContact O-CD1 3.29Å; A182-L221 WeakPolarHBondContact O-CD1 3.5Å; I185-L221 HydrophobicContact CB-CD1 3.87Å; I185-L221 HydrophobicContact CD1-CD1 4.14Å; I185-L221 HydrophobicContact CG2-CB 4.25Å; I185-L221 HydrophobicContact CG2-CD1 3.92Å; E186-L221 HydrophobicContact CG-CD1 4.14Å; E186-L221 HydrophobicContact CG-CD2 4.23Å; A218-L221 WeakPolarHBondContact O-CB 3.29Å; A218-L221 PolarHBondContact O-N 2.79Å; K219-L221 PolarHBondContact O-N 3.4Å; L221-S223 PolarHBondContact O-N 3.18Å
222	N	86.2	Confident	91	Very high	36 Å²	36	35 Å²	35	19%	0.193	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	27.3	176.5	-68.9	-40.7	0	0	0	115	K219 V575 E596	K219-N222 PolarHBondContact O-N 3.31Å; K219-N222 VanDerWaalsContact O-N 3.08Å; K219-N222 PolarHBondContact O-OD1 3.43Å; N222-V575 HydrophobicContact CB-CG2 4.1Å; N222-V575 WeakPolarHBondContact O-CG2 3.35Å; N222-E596 VanDerWaalsContact CB-O 3.23Å; N222-E596 WeakPolarHBondContact CB-O 3.42Å; N222-E596 WeakPolarHBondContact OD1-CB 3.5Å
223	S	88.8	Confident	91.2	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	15%	0.148	C	C	.	.			trans	-76.9	133.9	-178.5	177.5	0	0	0	0	112	I185 H189 L221 C225	I185-S223 VanDerWaalsContact CG2-CB 3.42Å; H189-S223 WeakPolarHBondContact NE2-CB 3.05Å; H189-S223 PolarHBondContact NE2-OG 2.85Å; L221-S223 PolarHBondContact O-N 3.18Å; S223-C225 PolarHBondContact O-N 2.96Å; S223-C225 PolarHBondContact OG-N 3.27Å; S223-C225 VanDerWaalsContact OG-N 3.11Å
224	P	89.7	Confident	91.4	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.026	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.5	170.8	31.2	-32.6	0	0	0	113.3	F196 V553 S554 V575 T600	F196-P224 HydrophobicContact CD2-CG 4.02Å; F196-P224 HydrophobicContact CE2-CB 3.81Å; F196-P224 HydrophobicContact CE2-CG 3.33Å; F196-P224 HydrophobicContact CZ-CB 4.05Å; F196-P224 HydrophobicContact CZ-CG 3.86Å; P224-V553 WeakPolarHBondContact O-CA 3.44Å; P224-S554 PolarHBondContact O-N 2.96Å; P224-V575 HydrophobicContact CB-CG1 3.9Å; P224-T600 HydrophobicContact CG-CG2 4.25Å
225	C	92.6	Very high	91.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	23.7	-170.4	-58.8	0	0	0	0	113.1	L188 G199 F200 V201 S223	L188-C225 HydrophobicContact CD2-CB 3.85Å; G199-C225 WeakPolarHBondContact O-CB 3.42Å; F200-C225 CarbonylContact C-O 3.58Å; F200-C225 VanDerWaalsContact CA-O 3.23Å; F200-C225 WeakPolarHBondContact CA-O 3.36Å; F200-C225 HydrophobicContact CB-CB 4.29Å; F200-C225 VanDerWaalsContact CB-O 3.3Å; F200-C225 WeakPolarHBondContact CB-O 3.49Å; V201-C225 PolarHBondContact N-O 2.96Å; S223-C225 PolarHBondContact O-N 2.96Å; S223-C225 PolarHBondContact OG-N 3.27Å; S223-C225 VanDerWaalsContact OG-N 3.11Å
226	I	94.4	Very high	91.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.1	175.4	-178.8	164.9	0	0	0	112.7	T181 I185 V201 A203 A218 V228 T573 G574	T181-I226 HydrophobicContact CG2-CD1 3.87Å; I185-I226 HydrophobicContact CD1-CB 4.09Å; I185-I226 HydrophobicContact CD1-CD1 3.43Å; I185-I226 VanDerWaalsContact CD1-CD1 3.43Å; I185-I226 HydrophobicContact CD1-CG1 4.28Å; I185-I226 HydrophobicContact CD1-CG2 4.35Å; I185-I226 HydrophobicContact CG1-CD1 4.32Å; V201-I226 WeakPolarHBondContact O-CA 3.23Å; A203-I226 HydrophobicContact CB-CD1 4.35Å; A218-I226 HydrophobicContact CB-CD1 3.69Å; I226-V228 HydrophobicContact CD1-CG2 4.15Å; I226-V228 HydrophobicContact CG1-CG2 4.3Å; I226-T573 WeakPolarHBondContact O-CA 3.43Å; I226-T573 PolarHBondContact O-OG1 3.01Å; I226-G574 PolarHBondContact O-N 3.46Å
227	M	94.8	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.6	166	-179.2	173.2	56.1	0	0	110.4	V201 I202 A203 V229 L557 V560 L561 M568 V570	V201-M227 PolarHBondContact O-N 3.34Å; I202-M227 WeakPolarHBondContact CA-O 3.3Å; I202-M227 HydrophobicContact CD1-CE 3.25Å; I202-M227 HydrophobicContact CG1-CB 4.47Å; I202-M227 HydrophobicContact CG1-CE 3.53Å; I202-M227 HydrophobicContact CG2-CE 4.28Å; A203-M227 PolarHBondContact N-O 3.4Å; M227-V229 HydrophobicContact CE-CG1 4.16Å; M227-V229 HydrophobicContact CG-CG1 3.75Å; M227-V229 HydrophobicContact SD-CG1 4.19Å; M227-L557 HydrophobicContact CB-CD1 3.77Å; M227-L557 HydrophobicContact CB-CD2 4.06Å; M227-L557 HydrophobicContact CB-CG 4.23Å; M227-L557 HydrophobicContact CE-CD1 4.19Å; M227-V560 HydrophobicContact CE-CG1 3.89Å; M227-L561 HydrophobicContact SD-CD2 3.56Å; M227-L561 VanDerWaalsContact SD-CD2 3.56Å; M227-L561 HydrophobicContact SD-CG 4.05Å; M227-M568 HydrophobicContact CE-CE 3.41Å; M227-M568 VanDerWaalsContact CE-CE 3.41Å; M227-M568 HydrophobicContact CE-SD 4.15Å; M227-M568 HydrophobicContact SD-CE 3.99Å; M227-V570 HydrophobicContact CG-CG1 3.76Å; M227-V570 HydrophobicContact CG-CG2 4.35Å; M227-V570 HydrophobicContact SD-CG1 4.11Å; M227-V570 HydrophobicContact SD-CG2 3.75Å
228	V	96	Very high	91.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	175	-179.5	0	0	0	0	109.6	A203 C211 L214 V215 I226 I571 N572	A203-V228 HydrophobicContact CB-CG2 4.48Å; A203-V228 CarbonylContact O-C 3.54Å; A203-V228 WeakPolarHBondContact O-CA 3.26Å; C211-V228 HydrophobicContact CB-CG1 4.16Å; L214-V228 HydrophobicContact CD2-CG1 3.63Å; L214-V228 HydrophobicContact CD2-CG2 4.17Å; L214-V228 HydrophobicContact CG-CG1 4.22Å; L214-V228 HydrophobicContact CG-CG2 4.15Å; V215-V228 HydrophobicContact CG2-CB 3.97Å; V215-V228 HydrophobicContact CG2-CG1 4Å; V215-V228 HydrophobicContact CG2-CG2 3.85Å; I226-V228 HydrophobicContact CD1-CG2 4.15Å; I226-V228 HydrophobicContact CG1-CG2 4.3Å; V228-I571 HydrophobicContact CG1-CB 4.25Å; V228-I571 PolarHBondContact O-N 3.34Å; V228-N572 HydrophobicContact CB-CB 4.33Å; V228-N572 PolarHBondContact N-O 2.82Å; V228-N572 PolarHBondContact O-N 2.95Å
229	V	95.4	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.7	-172	-51.2	0	0	0	0	110.3	I202 A203 N204 D205 M227 M568 K569	I202-V229 HydrophobicContact CG2-CG1 3.98Å; I202-V229 HydrophobicContact CG2-CG2 3.83Å; A203-V229 PolarHBondContact O-N 2.99Å; N204-V229 WeakPolarHBondContact CA-O 3.23Å; N204-V229 HydrophobicContact CB-CG2 3.61Å; N204-V229 WeakPolarHBondContact OD1-CG2 3.42Å; D205-V229 PolarHBondContact N-O 3.4Å; M227-V229 HydrophobicContact CE-CG1 4.16Å; M227-V229 HydrophobicContact CG-CG1 3.75Å; M227-V229 HydrophobicContact SD-CG1 4.19Å; V229-M568 HydrophobicContact CB-CE 4.05Å; V229-M568 HydrophobicContact CG1-CE 3.23Å; V229-K569 VanDerWaalsContact CA-O 3.31Å; V229-K569 WeakPolarHBondContact CA-O 3.49Å
230	N	95.4	Very high	92.4	Very high	19 Å²	19	24.2 Å²	24.2	10%	0.102	13%	0.132	C	C	.	.			trans	-124.2	96.9	-177	176.7	-128	0	0	0	111.6	D205 V206 K569 I571	D205-N230 VanDerWaalsContact O-CA 3.28Å; D205-N230 WeakPolarHBondContact O-CA 3.4Å; D205-N230 PolarHBondContact O-ND2 3.3Å; V206-N230 PolarHBondContact O-ND2 3.46Å; N230-K569 HydrophobicContact CB-CD 4.08Å; N230-K569 HydrophobicContact CB-CG 4.38Å; N230-K569 PolarHBondContact N-O 2.97Å; N230-K569 WeakPolarHBondContact OD1-CE 3.45Å; N230-K569 PolarHBondContact OD1-NZ 3.32Å; N230-I571 HydrophobicContact CB-CD1 3.85Å; N230-I571 HydrophobicContact CB-CG1 3.82Å
231	H	95.4	Very high	92.8	Very high	33 Å²	33	22.5 Å²	22.5	15%	0.153	13%	0.127	C	C	.	.			trans	-144.8	157.8	178.3	-63.7	-90.4	0	0	0	111.4	N204 D205 A233 I236 K569	N204-H231 PolarHBondContact ND2-O 3.14Å; N204-H231 WeakPolarHBondContact OD1-CB 3.3Å; N204-H231 PolarHBondContact OD1-N 3.15Å; N204-H231 PolarHBondContact OD1-O 3.07Å; D205-H231 PolarHBondContact O-N 3.3Å; H231-A233 PolarHBondContact O-N 3.34Å; H231-I236 HydrophobicContact CB-CG1 4.36Å; H231-K569 PolarHBondContact NE2-N 3.12Å; H231-K569 VanDerWaalsContact NE2-N 3.17Å
232	D	96.3	Very high	93.1	Very high	67 Å²	67	24.7 Å²	24.7	36%	0.358	14%	0.138	S	C	.	.			trans	-66.9	119.6	163.6	172.9	-8	0	0	0	109	V206 S234 C235 I236	V206-D232 HydrophobicContact CG2-CB 4.29Å; D232-S234 VanDerWaalsContact CG-OG 3.23Å; D232-S234 PolarHBondContact O-N 3.49Å; D232-S234 VanDerWaalsContact O-N 3.17Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 3.19Å; D232-S234 PolarHBondContact OD1-OG 3.21Å; D232-S234 PolarHBondContact OD2-OG 3Å; D232-C235 CarbonylContact O-C 3.47Å; D232-C235 PolarHBondContact O-N 3.47Å; D232-I236 PolarHBondContact O-N 3.32Å
233	A	96.1	Very high	93	Very high	4 Å²	4	25 Å²	25	3%	0.033	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.5	-176.9	0	0	0	0	0	112.8	M173 H231 C235 I292 R295	M173-A233 HydrophobicContact CB-CB 4.41Å; M173-A233 HydrophobicContact CE-CB 4.18Å; M173-A233 WeakPolarHBondContact CE-O 3.43Å; M173-A233 WeakPolarHBondContact O-CB 3.3Å; H231-A233 PolarHBondContact O-N 3.34Å; A233-C235 PolarHBondContact O-N 3.27Å; A233-I292 HydrophobicContact CB-CD1 4.23Å; A233-I292 HydrophobicContact CB-CG1 4.03Å; A233-I292 HydrophobicContact CB-CG2 4.07Å; A233-R295 WeakPolarHBondContact O-CG 3.44Å
234	S	96.1	Very high	92.4	Very high	24 Å²	24	32.9 Å²	32.9	17%	0.168	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.5	-16.5	178.2	71.8	0	0	0	0	113.6	D232	D232-S234 VanDerWaalsContact CG-OG 3.23Å; D232-S234 PolarHBondContact O-N 3.49Å; D232-S234 VanDerWaalsContact O-N 3.17Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 3.19Å; D232-S234 PolarHBondContact OD1-OG 3.21Å; D232-S234 PolarHBondContact OD2-OG 3Å
235	C	94.1	Very high	91.7	Very high	83 Å²	83	37 Å²	37	56%	0.561	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-132.5	18.7	179.5	64.2	0	0	0	0	114.2	D232 A233	D232-C235 CarbonylContact O-C 3.47Å; D232-C235 PolarHBondContact O-N 3.47Å; A233-C235 PolarHBondContact O-N 3.27Å
236	I	93.3	Very high	91.2	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-53.6	128.2	178	-167.1	175.2	0	0	0	110.5	L171 M173 N204 H231 D232 R295 Q299	L171-I236 HydrophobicContact CD1-CD1 3.93Å; M173-I236 HydrophobicContact CE-CG2 4.04Å; M173-I236 HydrophobicContact SD-CG2 4.02Å; N204-I236 HydrophobicContact CB-CD1 3.89Å; H231-I236 HydrophobicContact CB-CG1 4.36Å; D232-I236 PolarHBondContact O-N 3.32Å; I236-R295 HydrophobicContact CG2-CG 3.9Å; I236-R295 PolarHBondContact O-NE 3.42Å; I236-R295 PolarHBondContact O-NH2 2.93Å; I236-Q299 PolarHBondContact O-NE2 2.83Å
237	P	92	Very high	90.9	Very high	30 Å²	30	44.5 Å²	44.5	20%	0.195	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-69.1	154.2	-168.2	25.6	-34.7	0	0	0	113.7	L239 Q299 R567	P237-L239 HydrophobicContact CG-CD2 4.13Å; P237-Q299 PolarHBondContact O-NE2 3.27Å; P237-R567 WeakPolarHBondContact CG-O 3.28Å
238	M	91.4	Very high	90.7	Very high	49 Å²	49	48.6 Å²	48.6	24%	0.241	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-72.1	126.1	165.3	-61.7	-57.8	-64.8	0	0	108	I249 F251 R295 Q299	M238-I249 HydrophobicContact CB-CG2 4.2Å; M238-I249 HydrophobicContact CE-CG2 3.39Å; M238-F251 HydrophobicContact CE-CD1 4Å; M238-F251 HydrophobicContact CE-CE1 3.55Å; M238-F251 HydrophobicContact CE-CZ 4.06Å; M238-R295 VanDerWaalsContact N-NH2 3.14Å; M238-R295 PolarHBondContact SD-NH2 3.49Å; M238-R295 VanDerWaalsContact SD-NH2 3.35Å; M238-Q299 HydrophobicContact SD-CG 4.25Å; M238-Q299 PolarHBondContact SD-OE1 2.85Å
239	L	93.1	Very high	90.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-89.6	158	-179.1	-53.2	-174.2	0	0	0	110.7	I202 P237 I249 L250 Y252 V560 N564 M568	I202-L239 HydrophobicContact CD1-CD1 3.74Å; P237-L239 HydrophobicContact CG-CD2 4.13Å; L239-I249 WeakPolarHBondContact O-CA 3.42Å; L239-L250 HydrophobicContact CB-CB 4.05Å; L239-L250 HydrophobicContact CB-CD2 4Å; L239-L250 HydrophobicContact CD1-CD2 4.08Å; L239-L250 PolarHBondContact O-N 3.42Å; L239-Y252 WeakPolarHBondContact CD1-OH 3.45Å; L239-V560 HydrophobicContact CD1-CG1 3.73Å; L239-N564 WeakPolarHBondContact CA-OD1 3.43Å; L239-N564 HydrophobicContact CD2-CB 4.2Å; L239-M568 HydrophobicContact CD1-CE 3.96Å; L239-M568 HydrophobicContact CD1-SD 3.34Å; L239-M568 WeakPolarHBondContact CD1-SD 3.31Å; L239-M568 HydrophobicContact CD2-CE 4.43Å; L239-M568 HydrophobicContact CD2-CG 3.53Å; L239-M568 HydrophobicContact CD2-SD 3.26Å; L239-M568 WeakPolarHBondContact CD2-SD 3.43Å; L239-M568 HydrophobicContact CG-SD 3.92Å
240	Q	91.9	Very high	90.4	Very high	52 Å²	52	52.1 Å²	52.1	24%	0.243	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.7	177.5	-55.4	-170.4	-76.6	0	0	110.6	D248 N563 N564	Q240-D248 CarbonylContact C-O 3.39Å; Q240-D248 WeakPolarHBondContact CA-O 3.49Å; Q240-N563 HydrophobicContact CB-CB 4.37Å; Q240-N563 VanDerWaalsContact O-CB 3.27Å; Q240-N563 WeakPolarHBondContact O-CB 3.42Å; Q240-N564 PolarHBondContact N-ND2 3.46Å; Q240-N564 PolarHBondContact N-OD1 2.08Å; Q240-N564 PolarHBondContact O-ND2 2.87Å
241	I	91.8	Very high	90.4	Very high	16 Å²	16	55 Å²	55	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.5	173.6	52.3	169.4	0	0	0	109.2	D248 L250 V560	I241-D248 PolarHBondContact N-O 3.04Å; I241-D248 PolarHBondContact O-N 2.79Å; I241-L250 HydrophobicContact CD1-CD1 4.07Å; I241-L250 HydrophobicContact CG1-CB 4.38Å; I241-L250 HydrophobicContact CG2-CB 4.13Å; I241-L250 HydrophobicContact CG2-CD1 4.26Å; I241-V560 HydrophobicContact CG2-CG2 3.68Å
242	D	89.4	Confident	90.6	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.9	169.3	-63.2	-40.4	0	0	0	109	G246 N559 N563	D242-G246 WeakPolarHBondContact CA-O 3.47Å; D242-N559 PolarHBondContact N-ND2 3Å; D242-N559 PolarHBondContact N-OD1 2.95Å; D242-N559 PolarHBondContact O-ND2 2.98Å; D242-N563 VanDerWaalsContact CG-ND2 3.27Å; D242-N563 PolarHBondContact OD1-OD1 2.83Å; D242-N563 PolarHBondContact OD2-ND2 3.01Å
243	S	84.3	Confident	90.7	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.1	174.4	-162.9	0	0	0	0	108.8	G245 G246 D248	S243-G245 PolarHBondContact O-N 2.95Å; S243-G246 PolarHBondContact N-O 2.76Å; S243-G246 PolarHBondContact O-N 3.45Å; S243-G246 VanDerWaalsContact O-O 3.11Å; S243-D248 WeakPolarHBondContact CB-OD2 3.33Å
244	D	76.6	Confident	90.8	Very high	170 Å²	170	53.3 Å²	53.3	91%	0.909	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	36.3	175.3	-57.3	-41.1	0	0	0	115.8	G246	D244-G246 VanDerWaalsContact C-N 3.32Å; D244-G246 PolarHBondContact O-N 2.74Å
245	G	75.3	Confident	90.9	Very high	91 Å²	91	52.1 Å²	52.1	94%	0.938	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	3.7	179.7	0	0	0	0	0	115.3	S243	S243-G245 PolarHBondContact O-N 2.95Å
246	G	83	Confident	91.1	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	172	173.3	0	0	0	0	0	113.2	D242 S243 D244	D242-G246 WeakPolarHBondContact CA-O 3.47Å; S243-G246 PolarHBondContact N-O 2.76Å; S243-G246 PolarHBondContact O-N 3.45Å; S243-G246 VanDerWaalsContact O-O 3.11Å; D244-G246 VanDerWaalsContact C-N 3.32Å; D244-G246 PolarHBondContact O-N 2.74Å
247	K	87.5	Confident	91.3	Very high	130 Å²	130	47.9 Å²	47.9	57%	0.565	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.7	172.2	-72.3	-169.1	173.8	-163.9	0	110.2	N563	K247-N563 WeakPolarHBondContact CE-OD1 3.43Å
248	D	90.2	Very high	91.6	Very high	85 Å²	85	48 Å²	48	46%	0.455	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	165.8	177.1	-78.8	-34.3	0	0	0	112.3	Q240 I241 S243	Q240-D248 CarbonylContact C-O 3.39Å; Q240-D248 WeakPolarHBondContact CA-O 3.49Å; I241-D248 PolarHBondContact N-O 3.04Å; I241-D248 PolarHBondContact O-N 2.79Å; S243-D248 WeakPolarHBondContact CB-OD2 3.33Å
249	I	91.6	Very high	91.8	Very high	72 Å²	72	45.9 Å²	45.9	37%	0.369	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.5	175.4	-63	174.3	0	0	0	108.4	M238 L239 F251	M238-I249 HydrophobicContact CB-CG2 4.2Å; M238-I249 HydrophobicContact CE-CG2 3.39Å; L239-I249 WeakPolarHBondContact O-CA 3.42Å; I249-F251 HydrophobicContact CB-CE2 4.02Å; I249-F251 HydrophobicContact CB-CZ 4.45Å; I249-F251 HydrophobicContact CG2-CD2 4.31Å; I249-F251 HydrophobicContact CG2-CE1 4.46Å; I249-F251 HydrophobicContact CG2-CE2 3.84Å; I249-F251 HydrophobicContact CG2-CZ 3.92Å; I249-F251 PolarHBondContact O-N 3.15Å
250	L	93.9	Very high	91.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	28%	0.28	C	S	.	.			trans	-71.7	124	170.2	176.7	67.6	0	0	0	109.7	K169 F200 L239 I241 Y252 V560	K169-L250 HydrophobicContact CD-CD1 3.6Å; F200-L250 HydrophobicContact CE2-CD2 4.43Å; F200-L250 HydrophobicContact CZ-CD1 4.16Å; F200-L250 HydrophobicContact CZ-CD2 3.99Å; L239-L250 HydrophobicContact CB-CB 4.05Å; L239-L250 HydrophobicContact CB-CD2 4Å; L239-L250 HydrophobicContact CD1-CD2 4.08Å; L239-L250 PolarHBondContact O-N 3.42Å; I241-L250 HydrophobicContact CD1-CD1 4.07Å; I241-L250 HydrophobicContact CG1-CB 4.38Å; I241-L250 HydrophobicContact CG2-CB 4.13Å; I241-L250 HydrophobicContact CG2-CD1 4.26Å; L250-Y252 HydrophobicContact CD2-CE1 4.08Å; L250-Y252 HydrophobicContact CD2-CE2 4.42Å; L250-V560 HydrophobicContact CD2-CG2 3.97Å
251	F	96.1	Very high	92.1	Very high	79 Å²	79	47.2 Å²	47.2	35%	0.346	28%	0.278	S	S	.	.			trans	-111.2	151	162.6	-66.6	-81.6	0	0	0	109.6	M238 I249 E298 Q299 A301	M238-F251 HydrophobicContact CE-CD1 4Å; M238-F251 HydrophobicContact CE-CE1 3.55Å; M238-F251 HydrophobicContact CE-CZ 4.06Å; I249-F251 HydrophobicContact CB-CE2 4.02Å; I249-F251 HydrophobicContact CB-CZ 4.45Å; I249-F251 HydrophobicContact CG2-CD2 4.31Å; I249-F251 HydrophobicContact CG2-CE1 4.46Å; I249-F251 HydrophobicContact CG2-CE2 3.84Å; I249-F251 HydrophobicContact CG2-CZ 3.92Å; I249-F251 PolarHBondContact O-N 3.15Å; F251-E298 WeakPolarHBondContact CE1-O 3.29Å; F251-Q299 WeakPolarHBondContact CA-O 3.43Å; F251-A301 HydrophobicContact CB-CB 3.8Å
252	Y	97.9	Very high	92.2	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.2	-179.5	-60.2	-92.1	0	0	0	110.5	K169 L171 F200 I202 L239 L250 R254 Q299 L300 A301	K169-Y252 HydrophobicContact CB-CD1 4.37Å; K169-Y252 CarbonylContact O-C 3.48Å; K169-Y252 WeakPolarHBondContact O-CB 3.03Å; L171-Y252 HydrophobicContact CB-CD1 3.62Å; L171-Y252 HydrophobicContact CB-CD2 4.04Å; L171-Y252 HydrophobicContact CB-CE1 3.78Å; L171-Y252 HydrophobicContact CB-CE2 4.2Å; L171-Y252 HydrophobicContact CB-CG 3.73Å; L171-Y252 HydrophobicContact CD1-CE1 4.38Å; L171-Y252 HydrophobicContact CD2-CD2 3.98Å; L171-Y252 HydrophobicContact CD2-CE2 3.77Å; L171-Y252 HydrophobicContact CG-CE2 4.44Å; F200-Y252 HydrophobicContact CE2-CE1 4.25Å; I202-Y252 HydrophobicContact CB-CE1 4.28Å; I202-Y252 HydrophobicContact CD1-CE1 3.9Å; I202-Y252 WeakPolarHBondContact CD1-OH 3.39Å; I202-Y252 HydrophobicContact CG1-CE1 4.28Å; L239-Y252 WeakPolarHBondContact CD1-OH 3.45Å; L250-Y252 HydrophobicContact CD2-CE1 4.08Å; L250-Y252 HydrophobicContact CD2-CE2 4.42Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; Y252-Q299 HydrophobicContact CD2-CB 3.9Å; Y252-Q299 WeakPolarHBondContact CD2-O 3.34Å; Y252-Q299 HydrophobicContact CE2-CB 4.19Å; Y252-Q299 PolarHBondContact N-O 3.01Å; Y252-L300 WeakPolarHBondContact O-CD1 3.4Å; Y252-A301 WeakPolarHBondContact O-CB 3.37Å; Y252-A301 PolarHBondContact O-N 3.14Å
253	D	98.3	Very high	92.4	Very high	42 Å²	42	44 Å²	44	23%	0.225	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-28	176.3	-51.9	-59.7	0	0	0	111.4	H168 K169 G304 R305	H168-D253 HydrophobicContact CB-CB 4.15Å; H168-D253 WeakPolarHBondContact CD2-CB 3.12Å; H168-D253 IonicContact CD2-OD2 3.44Å; K169-D253 PolarHBondContact N-OD2 3.26Å; K169-D253 PolarHBondContact O-N 3.36Å; D253-G304 VanDerWaalsContact O-CA 3.28Å; D253-G304 WeakPolarHBondContact O-CA 3.37Å; D253-R305 PolarHBondContact O-N 2.85Å
254	R	98.5	Very high	92.8	Very high	26 Å²	26	42 Å²	42	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.8	-179.1	-62.5	-59.9	-177.4	-80.7	-2.8	111.1	L162 K163 I164 H168 K169 I170 L171 Y252 R305	L162-R254 HydrophobicContact CD2-CB 4.23Å; L162-R254 WeakPolarHBondContact O-CD 2.96Å; L162-R254 PolarHBondContact O-NE 3.41Å; K163-R254 PolarHBondContact O-NE 3.4Å; K163-R254 PolarHBondContact O-NH2 3.5Å; I164-R254 HydrophobicContact CG1-CG 4.39Å; H168-R254 HydrophobicContact CB-CG 4.26Å; H168-R254 PolarHBondContact CE1-NH2 3.32Å; H168-R254 PolarHBondContact NE2-NH1 2.92Å; H168-R254 VanDerWaalsContact NE2-NH1 3.14Å; H168-R254 PolarHBondContact NE2-NH2 2.78Å; H168-R254 VanDerWaalsContact NE2-NH2 3.19Å; K169-R254 PolarHBondContact O-N 3.47Å; I170-R254 CarbonylContact C-O 3.59Å; I170-R254 WeakPolarHBondContact CA-O 3.32Å; I170-R254 HydrophobicContact CB-CB 4.42Å; I170-R254 HydrophobicContact CG1-CB 4.02Å; I170-R254 HydrophobicContact CG2-CB 4.19Å; L171-R254 PolarHBondContact N-O 3.19Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; R254-R305 VanDerWaalsContact CA-O 3.31Å; R254-R305 WeakPolarHBondContact CA-O 3.29Å
255	V	98.7	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.3	175.5	178.8	0	0	0	0	109.7	L171 M173 L300 R305 M306 V307	L171-V255 HydrophobicContact CB-CG2 4.26Å; L171-V255 CarbonylContact O-C 3.43Å; L171-V255 WeakPolarHBondContact O-CA 3.39Å; M173-V255 HydrophobicContact CG-CG1 3.96Å; V255-L300 HydrophobicContact CB-CD1 4.16Å; V255-L300 HydrophobicContact CG2-CB 4.21Å; V255-L300 HydrophobicContact CG2-CD1 3.63Å; V255-R305 PolarHBondContact N-O 3.27Å; V255-R305 VanDerWaalsContact N-O 3.12Å; V255-M306 HydrophobicContact CB-CB 4.19Å; V255-M306 HydrophobicContact CB-CG 4.18Å; V255-M306 HydrophobicContact CG1-CG 4.31Å; V255-M306 HydrophobicContact CG1-SD 4.33Å; V255-M306 CarbonylContact O-C 3.57Å; V255-M306 WeakPolarHBondContact O-CA 3.43Å; V255-V307 PolarHBondContact O-N 3.27Å
256	L	98.8	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	170.1	-176	60.7	0	0	0	109.5	P158 L162 L171 M173 K180 L184 D258 V307	P158-L256 HydrophobicContact CB-CD1 3.56Å; L162-L256 HydrophobicContact CD1-CB 3.95Å; L162-L256 HydrophobicContact CD1-CD1 4.21Å; L171-L256 PolarHBondContact O-N 2.96Å; M173-L256 WeakPolarHBondContact CB-O 3.44Å; M173-L256 WeakPolarHBondContact CG-O 3.38Å; M173-L256 PolarHBondContact N-O 2.62Å; K180-L256 HydrophobicContact CB-CD2 3.83Å; K180-L256 HydrophobicContact CD-CD2 3.93Å; L184-L256 HydrophobicContact CD1-CD2 4.09Å; L256-D258 HydrophobicContact CG-CB 4.47Å; L256-V307 HydrophobicContact CD1-CB 4.26Å; L256-V307 HydrophobicContact CD1-CG1 4.36Å
257	C	97.8	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	72.8	173.9	-72.1	0	0	0	0	109.8	V259 M306 V307 Y308 S309	C257-V259 HydrophobicContact CB-CG1 4.18Å; C257-V259 PolarHBondContact O-N 2.93Å; C257-M306 HydrophobicContact CB-CE 3.82Å; C257-M306 WeakPolarHBondContact SG-CE 3.15Å; C257-V307 PolarHBondContact N-O 3.22Å; C257-Y308 HydrophobicContact CB-CD2 4.2Å; C257-Y308 WeakPolarHBondContact O-CA 3.37Å; C257-S309 PolarHBondContact O-N 3.47Å
258	D	97.4	Very high	95.2	Very high	33 Å²	33	23.8 Å²	23.8	18%	0.176	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	82.9	168.2	-169.9	50	0	0	0	109.2	C174 K180 L256 S309	C174-D258 WeakPolarHBondContact CB-O 3.42Å; K180-D258 HydrophobicContact CD-CB 4.05Å; K180-D258 VanDerWaalsContact CE-CG 3.47Å; K180-D258 VanDerWaalsContact CE-OD2 3.25Å; K180-D258 WeakPolarHBondContact CE-OD2 3.36Å; K180-D258 VanDerWaalsContact NZ-CG 3.27Å; K180-D258 IonicContact NZ-OD1 3.65Å; K180-D258 PolarHBondContact NZ-OD1 2.73Å; K180-D258 IonicContact NZ-OD2 3.07Å; K180-D258 PolarHBondContact NZ-OD2 2.96Å; L256-D258 HydrophobicContact CG-CB 4.47Å; D258-S309 WeakPolarHBondContact CA-OG 3.26Å; D258-S309 PolarHBondContact OD1-OG 3.44Å
259	V	96.7	Very high	95.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.134	C	C	.	.			trans	-80	152.2	-164.8	-63.5	0	0	0	0	112.4	C257 C261 Q289 I292 Y308 S309 T310	C257-V259 HydrophobicContact CB-CG1 4.18Å; C257-V259 PolarHBondContact O-N 2.93Å; V259-C261 PolarHBondContact O-N 3.02Å; V259-C261 PolarHBondContact O-SG 2.88Å; V259-Q289 HydrophobicContact CB-CG 4.21Å; V259-Q289 HydrophobicContact CG2-CB 4.27Å; V259-Q289 HydrophobicContact CG2-CG 3.8Å; V259-I292 HydrophobicContact CG1-CB 4.2Å; V259-I292 HydrophobicContact CG1-CG2 3.75Å; V259-Y308 HydrophobicContact CB-CE2 4.33Å; V259-Y308 HydrophobicContact CG1-CD2 4.25Å; V259-Y308 HydrophobicContact CG1-CE2 3.8Å; V259-Y308 HydrophobicContact CG2-CD2 4.45Å; V259-Y308 HydrophobicContact CG2-CE2 3.54Å; V259-Y308 WeakPolarHBondContact CG2-OH 3.39Å; V259-S309 PolarHBondContact N-O 2.97Å; V259-S309 VanDerWaalsContact N-O 3.15Å; V259-T310 HydrophobicContact CG2-CG2 3.84Å
260	P	95.4	Very high	94.9	Very high	56 Å²	56	25.9 Å²	25.9	36%	0.364	14%	0.135	S	C	.	.			trans	-57.9	128.5	171.9	24.1	-34.1	0	0	0	110.8	L288 Q289 I292	P260-L288 HydrophobicContact CG-CD2 4.19Å; P260-Q289 PolarHBondContact O-NE2 3.18Å; P260-I292 HydrophobicContact CG-CD1 4.24Å
261	C	95.5	Very high	94.6	Very high	29 Å²	29	28.4 Å²	28.4	20%	0.196	15%	0.148	C	C	.	.			trans	-124.1	165.7	-172.1	25.2	0	0	0	0	111.7	V259 G263 L285 C311 E317	V259-C261 PolarHBondContact O-N 3.02Å; V259-C261 PolarHBondContact O-SG 2.88Å; C261-G263 PolarHBondContact O-N 2.82Å; C261-L285 VanDerWaalsContact C-CD1 3.4Å; C261-C311 WeakPolarHBondContact CB-SG 3.46Å; C261-C311 WeakPolarHBondContact SG-CB 3.34Å; C261-C311 PolarHBondContact SG-N 2.89Å; C261-C311 CovalentContact SG-SG 2.08Å; C261-C311 PolarHBondContact SG-SG 2.83Å; C261-E317 VanDerWaalsContact CA-OE1 3.28Å; C261-E317 WeakPolarHBondContact CA-OE1 3.21Å
262	S	94.2	Very high	94.2	Very high	21 Å²	21	27.1 Å²	27.1	15%	0.147	15%	0.145	C	C	.	.			trans	-60.6	-23.1	168.5	65.1	0	0	0	0	113	S312 E317	S262-S312 PolarHBondContact OG-OG 3.05Å; S262-E317 WeakPolarHBondContact CB-OE2 3.48Å; S262-E317 PolarHBondContact N-OE1 3.35Å; S262-E317 PolarHBondContact OG-OE2 2.86Å
263	G	93.4	Very high	93.8	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	15%	0.149	C	C	.	.			trans	76	20.5	173.6	0	0	0	0	0	114.6	C261 G265 T266 C311	C261-G263 PolarHBondContact O-N 2.82Å; G263-G265 VanDerWaalsContact C-N 3.26Å; G263-G265 PolarHBondContact O-N 2.81Å; G263-T266 WeakPolarHBondContact O-CA 2.96Å; G263-T266 WeakPolarHBondContact O-CB 2.78Å; G263-T266 PolarHBondContact O-N 3.21Å; G263-T266 PolarHBondContact O-OG1 3.23Å; G263-C311 CarbonylContact C-O 3.55Å; G263-C311 WeakPolarHBondContact CA-SG 3.38Å
264	D	92.7	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70.4	-18.5	-177.8	64.9	-8.1	0	0	0	114.8	F38 Y42 M60 T266 M267 W277 S312 L313	F38-D264 HydrophobicContact CE2-CB 4.3Å; Y42-D264 PolarHBondContact OH-OD2 3.18Å; M60-D264 WeakPolarHBondContact CE-O 3.45Å; D264-T266 PolarHBondContact O-N 2.82Å; D264-M267 HydrophobicContact CB-CE 4.29Å; D264-M267 WeakPolarHBondContact O-CG 3.43Å; D264-W277 PolarHBondContact OD2-NE1 3.16Å; D264-S312 WeakPolarHBondContact OD1-CA 3.32Å; D264-S312 WeakPolarHBondContact OD1-CB 3.13Å; D264-S312 PolarHBondContact OD1-OG 3.31Å; D264-L313 PolarHBondContact OD1-N 3.36Å
265	G	93.3	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-70.5	-11.5	165	0	0	0	0	0	114.1	G263 C311 G411	G263-G265 VanDerWaalsContact C-N 3.26Å; G263-G265 PolarHBondContact O-N 2.81Å; G265-C311 VanDerWaalsContact CA-O 3.31Å; G265-C311 WeakPolarHBondContact CA-O 3.29Å; G265-C311 PolarHBondContact N-O 3.32Å; G265-G411 PolarHBondContact O-N 2.63Å
266	T	93.2	Very high	92.4	Very high	25 Å²	25	37.4 Å²	37.4	15%	0.153	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-98.6	5.6	-176.2	76.7	0	0	0	0	114.3	G263 D264 R268 K269 N270 C311	G263-T266 WeakPolarHBondContact O-CA 2.96Å; G263-T266 WeakPolarHBondContact O-CB 2.78Å; G263-T266 PolarHBondContact O-N 3.21Å; G263-T266 PolarHBondContact O-OG1 3.23Å; D264-T266 PolarHBondContact O-N 2.82Å; T266-R268 PolarHBondContact O-N 2.86Å; T266-K269 WeakPolarHBondContact O-CA 3.48Å; T266-K269 PolarHBondContact O-N 2.72Å; T266-N270 PolarHBondContact O-N 2.7Å; T266-C311 HydrophobicContact CG2-CB 3.73Å
267	M	92.9	Very high	92.2	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.2	-175.5	-77.1	-174.7	175.3	0	0	114.9	F38 M60 D264 K269 V273 W274 W277	F38-M267 HydrophobicContact CD2-CE 3.3Å; F38-M267 HydrophobicContact CD2-SD 4.14Å; F38-M267 HydrophobicContact CE1-SD 4.26Å; F38-M267 HydrophobicContact CE2-CE 3.4Å; F38-M267 HydrophobicContact CE2-SD 3.78Å; F38-M267 HydrophobicContact CG-CE 3.9Å; F38-M267 HydrophobicContact CG-SD 4.5Å; F38-M267 HydrophobicContact CZ-CE 4.1Å; F38-M267 HydrophobicContact CZ-SD 3.88Å; M60-M267 HydrophobicContact CE-CB 3.64Å; M60-M267 HydrophobicContact CE-CG 3.91Å; M60-M267 HydrophobicContact CE-SD 3.6Å; M60-M267 VanDerWaalsContact CE-SD 3.6Å; D264-M267 HydrophobicContact CB-CE 4.29Å; D264-M267 WeakPolarHBondContact O-CG 3.43Å; M267-K269 PolarHBondContact O-N 3.11Å; M267-V273 HydrophobicContact CE-CG1 3.81Å; M267-V273 HydrophobicContact CG-CB 3.96Å; M267-V273 HydrophobicContact CG-CG1 3.66Å; M267-W274 HydrophobicContact CB-CZ2 4.35Å; M267-W274 PolarHBondContact O-NE1 3.2Å; M267-W274 HydrophobicContact SD-CD2 4.06Å; M267-W274 HydrophobicContact SD-CE3 4.22Å; M267-W274 HydrophobicContact SD-CH2 4.33Å; M267-W274 HydrophobicContact SD-CZ2 4.18Å; M267-W274 HydrophobicContact SD-CZ3 4.36Å; M267-W277 HydrophobicContact CE-CB 3.81Å; M267-W277 HydrophobicContact CE-CG 3.7Å
268	R	92.4	Very high	91.8	Very high	16 Å²	16	39.4 Å²	39.4	6%	0.06	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.9	175.8	-61.6	-175.4	65.4	-179.1	5.5	113.6	A59 M60 E62 P63 L64 T266 N408 T409	A59-R268 WeakPolarHBondContact O-CD 3.15Å; A59-R268 PolarHBondContact O-NE 2.7Å; M60-R268 WeakPolarHBondContact O-CG 3.42Å; M60-R268 HydrophobicContact SD-CG 4.17Å; E62-R268 WeakPolarHBondContact O-CB 3.42Å; E62-R268 PolarHBondContact O-NE 3.28Å; P63-R268 PolarHBondContact O-NH2 2.81Å; L64-R268 HydrophobicContact CD1-CB 4.42Å; L64-R268 HydrophobicContact CD2-CB 4Å; L64-R268 HydrophobicContact CG-CB 3.7Å; T266-R268 PolarHBondContact O-N 2.86Å; R268-N408 VanDerWaalsContact CZ-OD1 3.28Å; R268-N408 PolarHBondContact NH1-O 2.82Å; R268-N408 PolarHBondContact NH1-OD1 2.93Å; R268-N408 PolarHBondContact NH2-OD1 3.04Å; R268-T409 PolarHBondContact NH1-O 2.97Å
269	K	88.5	Confident	91.5	Very high	128 Å²	128	37.9 Å²	37.9	56%	0.557	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-49.2	-179.2	-176.1	-176.5	176.9	-174.4	0	111.5	L64 T266 M267	L64-K269 HydrophobicContact CD1-CB 3.93Å; T266-K269 WeakPolarHBondContact O-CA 3.48Å; T266-K269 PolarHBondContact O-N 2.72Å; M267-K269 PolarHBondContact O-N 3.11Å
270	N	88.1	Confident	91.1	Very high	73 Å²	73	39.1 Å²	39.1	39%	0.39	20%	0.201	S	C	.	.			trans	-99.5	93.5	-177.5	-170.9	-5.1	0	0	0	109.9	T266 D272 V273	T266-N270 PolarHBondContact O-N 2.7Å; N270-D272 PolarHBondContact O-N 3.44Å; N270-D272 WeakPolarHBondContact OD1-CB 3.29Å; N270-D272 PolarHBondContact OD1-N 2.97Å; N270-V273 HydrophobicContact CB-CG2 3.8Å; N270-V273 WeakPolarHBondContact O-CB 3.43Å; N270-V273 WeakPolarHBondContact O-CG2 3.48Å; N270-V273 PolarHBondContact O-N 2.91Å
271	I	87.2	Confident	90.9	Very high	56 Å²	56	40 Å²	40	29%	0.287	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.5	-172.8	-50.6	172	0	0	0	111.7	I31 V273 W274	I31-I271 HydrophobicContact CB-CG2 4.27Å; I31-I271 HydrophobicContact CD1-CD1 3.63Å; I31-I271 HydrophobicContact CD1-CG2 4.45Å; I31-I271 HydrophobicContact CG2-CG2 3.25Å; I271-V273 PolarHBondContact O-N 2.93Å; I271-W274 WeakPolarHBondContact O-CB 3.3Å; I271-W274 PolarHBondContact O-N 2.75Å; I271-W274 VanDerWaalsContact O-N 3.17Å
272	D	87.4	Confident	90.7	Very high	52 Å²	52	38.8 Å²	38.8	28%	0.278	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-26.7	176.9	-96.7	16.3	0	0	0	113.2	N270 W274 K275 K276	N270-D272 PolarHBondContact O-N 3.44Å; N270-D272 WeakPolarHBondContact OD1-CB 3.29Å; N270-D272 PolarHBondContact OD1-N 2.97Å; D272-W274 VanDerWaalsContact C-N 3.28Å; D272-W274 PolarHBondContact O-N 2.77Å; D272-K275 PolarHBondContact O-N 2.77Å; D272-K276 HydrophobicContact CB-CD 4.37Å; D272-K276 WeakPolarHBondContact O-CB 3.25Å; D272-K276 WeakPolarHBondContact O-CG 3.28Å; D272-K276 PolarHBondContact O-N 3.45Å; D272-K276 IonicContact OD2-NZ 2.79Å; D272-K276 PolarHBondContact OD2-NZ 2.64Å
273	V	89.5	Confident	90.6	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-38.8	177.5	-176.5	0	0	0	0	110.2	M267 N270 I271 K275 K276 W277	M267-V273 HydrophobicContact CE-CG1 3.81Å; M267-V273 HydrophobicContact CG-CB 3.96Å; M267-V273 HydrophobicContact CG-CG1 3.66Å; N270-V273 HydrophobicContact CB-CG2 3.8Å; N270-V273 WeakPolarHBondContact O-CB 3.43Å; N270-V273 WeakPolarHBondContact O-CG2 3.48Å; N270-V273 PolarHBondContact O-N 2.91Å; I271-V273 PolarHBondContact O-N 2.93Å; V273-K275 VanDerWaalsContact C-N 3.27Å; V273-K275 PolarHBondContact O-N 3.21Å; V273-K276 PolarHBondContact O-N 3.02Å; V273-W277 HydrophobicContact CG1-CB 4.43Å; V273-W277 WeakPolarHBondContact O-CA 3.48Å; V273-W277 WeakPolarHBondContact O-CB 3.27Å; V273-W277 PolarHBondContact O-N 3.29Å
274	W	89.9	Confident	90.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-52.8	-44.5	176.7	-77.4	98.9	0	0	0	112.7	K33 N35 M57 M60 R61 M267 I271 D272	K33-W274 VanDerWaalsContact C-CE3 3.45Å; K33-W274 HydrophobicContact CB-CD2 4.14Å; K33-W274 HydrophobicContact CB-CG 4.48Å; K33-W274 HydrophobicContact CB-CZ2 4.29Å; K33-W274 WeakPolarHBondContact O-CZ3 3.23Å; N35-W274 HydrophobicContact CB-CE3 4.23Å; N35-W274 PolarHBondContact ND2-O 3.5Å; M57-W274 HydrophobicContact CE-CH2 3.78Å; M57-W274 HydrophobicContact CE-CZ3 4.04Å; M60-W274 HydrophobicContact CB-CH2 4.22Å; M60-W274 HydrophobicContact CB-CZ2 3.99Å; M60-W274 WeakPolarHBondContact O-CZ2 3.24Å; R61-W274 HydrophobicContact CG-CH2 4Å; R61-W274 HydrophobicContact CG-CZ2 3.99Å; M267-W274 HydrophobicContact CB-CZ2 4.35Å; M267-W274 PolarHBondContact O-NE1 3.2Å; M267-W274 HydrophobicContact SD-CD2 4.06Å; M267-W274 HydrophobicContact SD-CE3 4.22Å; M267-W274 HydrophobicContact SD-CH2 4.33Å; M267-W274 HydrophobicContact SD-CZ2 4.18Å; M267-W274 HydrophobicContact SD-CZ3 4.36Å; I271-W274 WeakPolarHBondContact O-CB 3.3Å; I271-W274 PolarHBondContact O-N 2.75Å; I271-W274 VanDerWaalsContact O-N 3.17Å; D272-W274 VanDerWaalsContact C-N 3.28Å; D272-W274 PolarHBondContact O-N 2.77Å
275	K	88.3	Confident	90.7	Very high	140 Å²	140	45.4 Å²	45.4	61%	0.609	22%	0.222	S	C	*	.	H	α-helix	trans	-80.1	-33.8	-176.8	-64	178	-176.7	172.6	0	112.9	D272 V273	D272-K275 PolarHBondContact O-N 2.77Å; V273-K275 VanDerWaalsContact C-N 3.27Å; V273-K275 PolarHBondContact O-N 3.21Å
276	K	88.9	Confident	90.9	Very high	127 Å²	127	45.4 Å²	45.4	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-96.3	-10.2	-172.3	-66.8	171.5	179.3	164.3	0	113.2	D272 V273 T278	D272-K276 HydrophobicContact CB-CD 4.37Å; D272-K276 WeakPolarHBondContact O-CB 3.25Å; D272-K276 WeakPolarHBondContact O-CG 3.28Å; D272-K276 PolarHBondContact O-N 3.45Å; D272-K276 IonicContact OD2-NZ 2.79Å; D272-K276 PolarHBondContact OD2-NZ 2.64Å; V273-K276 PolarHBondContact O-N 3.02Å; K276-T278 PolarHBondContact O-N 3.31Å
277	W	92.6	Very high	91	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.038	22%	0.218	C	C	.	.			trans	-61.4	124.9	-174	-172.8	94.2	0	0	0	111.3	N35 L37 F38 Y41 Y42 D264 M267 V273 T279	N35-W277 PolarHBondContact ND2-O 3.11Å; L37-W277 HydrophobicContact CB-CZ3 4.13Å; L37-W277 HydrophobicContact CD2-CZ3 4.03Å; L37-W277 HydrophobicContact CG-CZ3 3.88Å; F38-W277 HydrophobicContact CB-CD2 3.97Å; F38-W277 HydrophobicContact CB-CE3 3.65Å; F38-W277 HydrophobicContact CB-CH2 4.4Å; F38-W277 HydrophobicContact CB-CZ3 3.9Å; F38-W277 AromaticContact CD2-CD2 3.76Å; F38-W277 HydrophobicContact CD2-CD2 3.76Å; F38-W277 AromaticContact CD2-CE2 3.57Å; F38-W277 HydrophobicContact CD2-CE3 4.28Å; F38-W277 HydrophobicContact CD2-CG 4.06Å; F38-W277 HydrophobicContact CD2-CH2 4.48Å; F38-W277 AromaticContact CD2-CZ2 3.96Å; F38-W277 HydrophobicContact CD2-CZ2 3.96Å; F38-W277 AromaticContact CD2-NE1 3.72Å; F38-W277 HydrophobicContact CG-CD2 4.37Å; F38-W277 HydrophobicContact CG-CE3 4.5Å; F38-W277 VanDerWaalsContact N-CZ3 3.33Å; Y41-W277 AromaticContact CD1-CH2 3.78Å; Y41-W277 HydrophobicContact CD1-CH2 3.78Å; Y41-W277 AromaticContact CD1-CZ2 3.85Å; Y41-W277 HydrophobicContact CD1-CZ2 3.85Å; Y41-W277 HydrophobicContact CD2-CH2 4.42Å; Y41-W277 HydrophobicContact CE1-CZ2 4.33Å; Y41-W277 AromaticContact CG-CH2 3.7Å; Y41-W277 HydrophobicContact CG-CH2 3.7Å; Y41-W277 HydrophobicContact CG-CZ2 4.25Å; Y42-W277 HydrophobicContact CE2-CZ2 4.04Å; D264-W277 PolarHBondContact OD2-NE1 3.16Å; M267-W277 HydrophobicContact CE-CB 3.81Å; M267-W277 HydrophobicContact CE-CG 3.7Å; V273-W277 HydrophobicContact CG1-CB 4.43Å; V273-W277 WeakPolarHBondContact O-CA 3.48Å; V273-W277 WeakPolarHBondContact O-CB 3.27Å; V273-W277 PolarHBondContact O-N 3.29Å; W277-T279 HydrophobicContact CH2-CG2 3.85Å; W277-T279 HydrophobicContact CZ2-CG2 4.33Å
278	T	91.3	Very high	91.2	Very high	32 Å²	32	46.6 Å²	46.6	20%	0.196	23%	0.229	C	C	.	.			trans	-150.6	156.5	171.6	65.8	0	0	0	0	108.2	K276 S280 K359	K276-T278 PolarHBondContact O-N 3.31Å; T278-S280 PolarHBondContact O-N 3.16Å; T278-K359 HydrophobicContact CG2-CG 4.45Å
279	T	89.4	Confident	91.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-70.3	-11.7	175.4	57.2	0	0	0	0	114	Y41 W277 N281 S282 L283 M357 T358 K359	Y41-T279 HydrophobicContact CD2-CG2 3.95Å; Y41-T279 HydrophobicContact CE2-CG2 3.88Å; W277-T279 HydrophobicContact CH2-CG2 3.85Å; W277-T279 HydrophobicContact CZ2-CG2 4.33Å; T279-N281 PolarHBondContact O-N 3.09Å; T279-S282 PolarHBondContact O-N 3.3Å; T279-S282 PolarHBondContact O-OG 3.27Å; T279-L283 VanDerWaalsContact O-CG 3.3Å; T279-L283 WeakPolarHBondContact O-CG 3.46Å; T279-L283 PolarHBondContact O-N 3.16Å; T279-M357 WeakPolarHBondContact CB-O 3.37Å; T279-M357 HydrophobicContact CG2-CB 4.28Å; T279-M357 HydrophobicContact CG2-CE 3.5Å; T279-M357 VanDerWaalsContact CG2-CE 3.5Å; T279-M357 PolarHBondContact OG1-O 3.43Å; T279-T358 PolarHBondContact OG1-O 3.44Å; T279-K359 PolarHBondContact OG1-N 3.46Å
280	S	90	Very high	91.9	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-39.3	176.9	-174.9	0	0	0	0	111.5	T278 L283 H284	T278-S280 PolarHBondContact O-N 3.16Å; S280-L283 PolarHBondContact O-N 2.87Å; S280-H284 PolarHBondContact O-N 3.08Å; S280-H284 VanDerWaalsContact O-N 3.09Å; S280-H284 PolarHBondContact O-ND1 3.18Å; S280-H284 PolarHBondContact OG-CE1 3.15Å; S280-H284 VanDerWaalsContact OG-CE1 3.25Å; S280-H284 PolarHBondContact OG-ND1 2.71Å
281	N	89.7	Confident	92.4	Very high	74 Å²	74	43.5 Å²	43.5	40%	0.396	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-45.4	-176.3	-69.4	-11.8	0	0	0	111.8	T279 L283 H284 L285	T279-N281 PolarHBondContact O-N 3.09Å; N281-L283 PolarHBondContact O-N 3.46Å; N281-H284 PolarHBondContact O-N 3.03Å; N281-L285 WeakPolarHBondContact O-CG 3.41Å; N281-L285 PolarHBondContact O-N 3.06Å
282	S	91.3	Very high	92.9	Very high	3 Å²	3	41 Å²	41	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-41.4	178.7	55.9	0	0	0	0	111.8	T279 H284 L285 H286 N314 E317	T279-S282 PolarHBondContact O-N 3.3Å; T279-S282 PolarHBondContact O-OG 3.27Å; S282-H284 PolarHBondContact O-N 3Å; S282-L285 PolarHBondContact O-N 3.49Å; S282-H286 PolarHBondContact O-N 2.98Å; S282-N314 PolarHBondContact OG-ND2 2.79Å; S282-N314 VanDerWaalsContact OG-ND2 3.12Å; S282-E317 WeakPolarHBondContact CB-OE2 3.3Å
283	L	93.3	Very high	93.4	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-41.5	176	-64.2	174.3	0	0	0	112.9	T279 S280 N281 I316 L356 M382	T279-L283 VanDerWaalsContact O-CG 3.3Å; T279-L283 WeakPolarHBondContact O-CG 3.46Å; T279-L283 PolarHBondContact O-N 3.16Å; S280-L283 PolarHBondContact O-N 2.87Å; N281-L283 PolarHBondContact O-N 3.46Å; L283-I316 HydrophobicContact CD2-CG2 4.32Å; L283-L356 HydrophobicContact CD2-CD1 3.63Å; L283-L356 HydrophobicContact CD2-CD2 4.21Å; L283-L356 HydrophobicContact CD2-CG 3.94Å; L283-M382 HydrophobicContact CD2-CE 4.24Å; L283-M382 HydrophobicContact CD2-SD 3.73Å; L283-M382 VanDerWaalsContact O-CE 3.24Å; L283-M382 WeakPolarHBondContact O-CE 3.2Å
284	H	92.7	Very high	93.8	Very high	117 Å²	117	38.6 Å²	38.6	54%	0.542	18%	0.184	S	C	.	.	H	α-helix	trans	-70.6	-35.6	179.3	-75.3	82.8	0	0	0	112.5	S280 N281 S282	S280-H284 PolarHBondContact O-N 3.08Å; S280-H284 VanDerWaalsContact O-N 3.09Å; S280-H284 PolarHBondContact O-ND1 3.18Å; S280-H284 PolarHBondContact OG-CE1 3.15Å; S280-H284 VanDerWaalsContact OG-CE1 3.25Å; S280-H284 PolarHBondContact OG-ND1 2.71Å; N281-H284 PolarHBondContact O-N 3.03Å; S282-H284 PolarHBondContact O-N 3Å
285	L	95.6	Very high	94.2	Very high	40 Å²	40	40.1 Å²	40.1	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-79.3	-30	-176.8	-71.3	172.7	0	0	0	113.5	C261 N281 S282 G287 L288 Q289	C261-L285 VanDerWaalsContact C-CD1 3.4Å; N281-L285 WeakPolarHBondContact O-CG 3.41Å; N281-L285 PolarHBondContact O-N 3.06Å; S282-L285 PolarHBondContact O-N 3.49Å; L285-G287 VanDerWaalsContact C-N 3.26Å; L285-G287 PolarHBondContact O-N 3.45Å; L285-G287 VanDerWaalsContact O-N 3.13Å; L285-L288 HydrophobicContact CD2-CD2 4.42Å; L285-L288 WeakPolarHBondContact O-CA 3.29Å; L285-L288 WeakPolarHBondContact O-CB 3.16Å; L285-L288 PolarHBondContact O-N 3.15Å; L285-Q289 HydrophobicContact CB-CG 4.47Å; L285-Q289 WeakPolarHBondContact O-CG 3.17Å; L285-Q289 PolarHBondContact O-N 3.24Å
286	H	96.3	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-47.2	-47.8	-179.6	175.9	91	0	0	0	112.9	S282 L288 Q289 L290 I316 I321 T381 M382	S282-H286 PolarHBondContact O-N 2.98Å; H286-L288 VanDerWaalsContact C-N 3.3Å; H286-L288 PolarHBondContact O-N 2.74Å; H286-Q289 PolarHBondContact O-N 3.4Å; H286-L290 WeakPolarHBondContact O-CB 3.18Å; H286-L290 PolarHBondContact O-N 3.44Å; H286-I316 HydrophobicContact CB-CG2 4.15Å; H286-I316 PolarHBondContact ND1-O 2.9Å; H286-I321 HydrophobicContact CB-CD1 4.44Å; H286-I321 VanDerWaalsContact ND1-CD1 3.29Å; H286-I321 WeakPolarHBondContact ND1-CD1 3.44Å; H286-I321 VanDerWaalsContact O-CD1 3.29Å; H286-I321 WeakPolarHBondContact O-CD1 3.4Å; H286-T381 PolarHBondContact CE1-O 3.48Å; H286-T381 VanDerWaalsContact CE1-O 3.29Å; H286-T381 PolarHBondContact NE2-OG1 3.13Å; H286-M382 HydrophobicContact CB-CE 3.66Å
287	G	96	Very high	95	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-33.2	-179.9	0	0	0	0	0	113.5	L285 R291	L285-G287 VanDerWaalsContact C-N 3.26Å; L285-G287 PolarHBondContact O-N 3.45Å; L285-G287 VanDerWaalsContact O-N 3.13Å; G287-R291 VanDerWaalsContact C-NH1 3.26Å; G287-R291 WeakPolarHBondContact O-CG 3.46Å; G287-R291 PolarHBondContact O-N 3.42Å; G287-R291 PolarHBondContact O-NH1 2.98Å
288	L	96.8	Very high	95.2	Very high	47 Å²	47	28.5 Å²	28.5	25%	0.246	14%	0.14	C	C	.	.	H	α-helix	trans	-75	-47.9	175.8	174.8	63.3	0	0	0	110.9	P260 L285 H286 L290 R291 I292	P260-L288 HydrophobicContact CG-CD2 4.19Å; L285-L288 HydrophobicContact CD2-CD2 4.42Å; L285-L288 WeakPolarHBondContact O-CA 3.29Å; L285-L288 WeakPolarHBondContact O-CB 3.16Å; L285-L288 PolarHBondContact O-N 3.15Å; H286-L288 VanDerWaalsContact C-N 3.3Å; H286-L288 PolarHBondContact O-N 2.74Å; L288-L290 VanDerWaalsContact C-N 3.3Å; L288-L290 PolarHBondContact O-N 3.25Å; L288-R291 PolarHBondContact O-N 3.37Å; L288-R291 VanDerWaalsContact O-N 3.08Å; L288-I292 HydrophobicContact CD1-CD1 4Å; L288-I292 HydrophobicContact CD1-CG1 4.21Å; L288-I292 HydrophobicContact CG-CD1 3.88Å; L288-I292 HydrophobicContact CG-CG1 4.46Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 2.96Å
289	Q	98.1	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-45.6	178.2	-69.2	166.8	-22.7	0	0	111.2	V259 P260 L285 H286 R291 I292 A293 E317 I321	V259-Q289 HydrophobicContact CB-CG 4.21Å; V259-Q289 HydrophobicContact CG2-CB 4.27Å; V259-Q289 HydrophobicContact CG2-CG 3.8Å; P260-Q289 PolarHBondContact O-NE2 3.18Å; L285-Q289 HydrophobicContact CB-CG 4.47Å; L285-Q289 WeakPolarHBondContact O-CG 3.17Å; L285-Q289 PolarHBondContact O-N 3.24Å; H286-Q289 PolarHBondContact O-N 3.4Å; Q289-R291 PolarHBondContact O-N 3.14Å; Q289-I292 PolarHBondContact O-N 3.01Å; Q289-A293 WeakPolarHBondContact O-CB 3.46Å; Q289-A293 PolarHBondContact O-N 2.91Å; Q289-E317 PolarHBondContact NE2-OE1 2.75Å; Q289-I321 HydrophobicContact CB-CD1 3.89Å; Q289-I321 HydrophobicContact CB-CG1 4.28Å
290	L	97.7	Very high	95.8	Very high	29 Å²	29	26.9 Å²	26.9	15%	0.152	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-40.2	177.3	-175.7	59	0	0	0	112	H286 L288 A293 V294 I321 A324 L325 T381	H286-L290 WeakPolarHBondContact O-CB 3.18Å; H286-L290 PolarHBondContact O-N 3.44Å; L288-L290 VanDerWaalsContact C-N 3.3Å; L288-L290 PolarHBondContact O-N 3.25Å; L290-A293 PolarHBondContact O-N 3.15Å; L290-V294 HydrophobicContact CD1-CG2 4.33Å; L290-V294 WeakPolarHBondContact O-CB 3.43Å; L290-V294 WeakPolarHBondContact O-CG2 3.4Å; L290-V294 PolarHBondContact O-N 2.88Å; L290-I321 HydrophobicContact CB-CD1 3.82Å; L290-I321 HydrophobicContact CD1-CG2 4.39Å; L290-A324 HydrophobicContact CD1-CB 4.01Å; L290-A324 HydrophobicContact CD2-CB 4.19Å; L290-L325 HydrophobicContact CD1-CB 4.47Å; L290-T381 HydrophobicContact CD2-CG2 4.4Å
291	R	97.6	Very high	96.1	Very high	122 Å²	122	26.3 Å²	26.3	46%	0.46	13%	0.128	S	C	.	.	H	α-helix	trans	-66.2	-40.9	176.4	-71.7	-169.7	-50.6	-87	10.2	111.9	G287 L288 Q289 R295	G287-R291 VanDerWaalsContact C-NH1 3.26Å; G287-R291 WeakPolarHBondContact O-CG 3.46Å; G287-R291 PolarHBondContact O-N 3.42Å; G287-R291 PolarHBondContact O-NH1 2.98Å; L288-R291 PolarHBondContact O-N 3.37Å; L288-R291 VanDerWaalsContact O-N 3.08Å; Q289-R291 PolarHBondContact O-N 3.14Å; R291-R295 WeakPolarHBondContact O-CB 3.18Å; R291-R295 PolarHBondContact O-N 2.92Å
292	I	98.3	Very high	96.5	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-46	176.1	-65.4	170.4	0	0	0	109.9	M173 A233 V259 P260 L288 Q289 R295 G296	M173-I292 HydrophobicContact CB-CG2 4.37Å; M173-I292 HydrophobicContact CE-CG2 3.96Å; A233-I292 HydrophobicContact CB-CD1 4.23Å; A233-I292 HydrophobicContact CB-CG1 4.03Å; A233-I292 HydrophobicContact CB-CG2 4.07Å; V259-I292 HydrophobicContact CG1-CB 4.2Å; V259-I292 HydrophobicContact CG1-CG2 3.75Å; P260-I292 HydrophobicContact CG-CD1 4.24Å; L288-I292 HydrophobicContact CD1-CD1 4Å; L288-I292 HydrophobicContact CD1-CG1 4.21Å; L288-I292 HydrophobicContact CG-CD1 3.88Å; L288-I292 HydrophobicContact CG-CG1 4.46Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 2.96Å; Q289-I292 PolarHBondContact O-N 3.01Å; I292-R295 PolarHBondContact O-N 3.21Å; I292-G296 PolarHBondContact O-N 2.89Å
293	A	98.1	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-45.1	179.7	0	0	0	0	0	112.1	Q289 L290 R295 G296 V297 M306 Y308 I321 L325	Q289-A293 WeakPolarHBondContact O-CB 3.46Å; Q289-A293 PolarHBondContact O-N 2.91Å; L290-A293 PolarHBondContact O-N 3.15Å; A293-R295 VanDerWaalsContact C-N 3.31Å; A293-R295 PolarHBondContact O-N 2.94Å; A293-G296 PolarHBondContact O-N 2.85Å; A293-V297 WeakPolarHBondContact O-CG2 3.5Å; A293-V297 PolarHBondContact O-N 3.12Å; A293-M306 HydrophobicContact CB-CE 4.14Å; A293-Y308 HydrophobicContact CB-CD2 4.15Å; A293-Y308 HydrophobicContact CB-CE2 4.23Å; A293-I321 HydrophobicContact CB-CG2 4.25Å; A293-L325 HydrophobicContact CB-CD2 4.09Å
294	V	97.8	Very high	97	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.097	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-47	172.6	166.5	0	0	0	0	110.5	L290 G296 V297 E298 L325 K328 W425	L290-V294 HydrophobicContact CD1-CG2 4.33Å; L290-V294 WeakPolarHBondContact O-CB 3.43Å; L290-V294 WeakPolarHBondContact O-CG2 3.4Å; L290-V294 PolarHBondContact O-N 2.88Å; V294-G296 VanDerWaalsContact C-N 3.33Å; V294-G296 PolarHBondContact O-N 2.81Å; V294-V297 PolarHBondContact O-N 2.65Å; V294-E298 WeakPolarHBondContact O-CG 3.45Å; V294-E298 PolarHBondContact O-N 2.82Å; V294-L325 HydrophobicContact CB-CD1 4.49Å; V294-L325 HydrophobicContact CG2-CD1 3.76Å; V294-K328 HydrophobicContact CG2-CD 4.3Å; V294-W425 HydrophobicContact CG1-CZ2 3.9Å
295	R	97.5	Very high	97.2	Very high	35 Å²	35	24.4 Å²	24.4	13%	0.132	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-37	179.5	-171	63.1	-174.6	146.5	8	112.3	M173 A233 I236 M238 R291 I292 A293 E298 Q299	M173-R295 HydrophobicContact CE-CB 4.18Å; M173-R295 HydrophobicContact CE-CG 4.23Å; A233-R295 WeakPolarHBondContact O-CG 3.44Å; I236-R295 HydrophobicContact CG2-CG 3.9Å; I236-R295 PolarHBondContact O-NE 3.42Å; I236-R295 PolarHBondContact O-NH2 2.93Å; M238-R295 VanDerWaalsContact N-NH2 3.14Å; M238-R295 PolarHBondContact SD-NH2 3.49Å; M238-R295 VanDerWaalsContact SD-NH2 3.35Å; R291-R295 WeakPolarHBondContact O-CB 3.18Å; R291-R295 PolarHBondContact O-N 2.92Å; I292-R295 PolarHBondContact O-N 3.21Å; A293-R295 VanDerWaalsContact C-N 3.31Å; A293-R295 PolarHBondContact O-N 2.94Å; R295-E298 WeakPolarHBondContact CD-OE2 3.4Å; R295-E298 IonicContact CZ-OE2 2.71Å; R295-E298 IonicContact NE-OE2 2.63Å; R295-E298 IonicContact NH1-OE2 3Å; R295-E298 PolarHBondContact NH1-OE2 2.97Å; R295-E298 WeakPolarHBondContact O-CB 3.33Å; R295-E298 PolarHBondContact O-N 2.96Å; R295-Q299 VanDerWaalsContact O-CG 3.23Å; R295-Q299 WeakPolarHBondContact O-CG 3.49Å; R295-Q299 PolarHBondContact O-N 3.23Å
296	G	97.5	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-47.8	174.4	0	0	0	0	0	112.2	I292 A293 V294 E298 Q299 L300	I292-G296 PolarHBondContact O-N 2.89Å; A293-G296 PolarHBondContact O-N 2.85Å; V294-G296 VanDerWaalsContact C-N 3.33Å; V294-G296 PolarHBondContact O-N 2.81Å; G296-E298 VanDerWaalsContact C-N 3.31Å; G296-E298 PolarHBondContact O-N 3.47Å; G296-Q299 PolarHBondContact O-N 2.97Å; G296-Q299 VanDerWaalsContact O-N 3.16Å; G296-L300 PolarHBondContact O-N 3.24Å; G296-L300 VanDerWaalsContact O-N 3.13Å
297	V	97.4	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-29.8	178.3	-179.5	0	0	0	0	112.6	A293 V294 Q299 L300 M306 L325 L333 K419 M423	A293-V297 WeakPolarHBondContact O-CG2 3.5Å; A293-V297 PolarHBondContact O-N 3.12Å; V294-V297 PolarHBondContact O-N 2.65Å; V297-Q299 VanDerWaalsContact C-N 3.29Å; V297-Q299 PolarHBondContact O-N 3.07Å; V297-L300 PolarHBondContact O-N 3.36Å; V297-M306 HydrophobicContact CB-SD 4.49Å; V297-M306 HydrophobicContact CG2-CE 4.13Å; V297-M306 HydrophobicContact CG2-SD 3.47Å; V297-M306 WeakPolarHBondContact CG2-SD 3.2Å; V297-L325 HydrophobicContact CG2-CD1 4.28Å; V297-L325 HydrophobicContact CG2-CD2 3.96Å; V297-L325 HydrophobicContact CG2-CG 4.5Å; V297-L333 HydrophobicContact CG1-CD1 3.91Å; V297-L333 HydrophobicContact CG1-CD2 4.31Å; V297-L333 HydrophobicContact CG2-CD1 4.25Å; V297-L333 HydrophobicContact CG2-CD2 3.92Å; V297-K419 HydrophobicContact CG1-CD 4.34Å; V297-K419 PolarHBondContact O-NZ 3.23Å; V297-M423 HydrophobicContact CG1-CE 3.6Å; V297-M423 HydrophobicContact CG1-CG 3.85Å; V297-M423 HydrophobicContact CG1-SD 3.38Å; V297-M423 WeakPolarHBondContact CG1-SD 3.21Å
298	E	96.1	Very high	97.6	Very high	32 Å²	32	22.3 Å²	22.3	15%	0.15	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-36.2	172.7	-74.8	172.5	-176.5	0	0	112.6	F251 V294 R295 G296 W425	F251-E298 WeakPolarHBondContact CE1-O 3.29Å; V294-E298 WeakPolarHBondContact O-CG 3.45Å; V294-E298 PolarHBondContact O-N 2.82Å; R295-E298 WeakPolarHBondContact CD-OE2 3.4Å; R295-E298 IonicContact CZ-OE2 2.71Å; R295-E298 IonicContact NE-OE2 2.63Å; R295-E298 IonicContact NH1-OE2 3Å; R295-E298 PolarHBondContact NH1-OE2 2.97Å; R295-E298 WeakPolarHBondContact O-CB 3.33Å; R295-E298 PolarHBondContact O-N 2.96Å; G296-E298 VanDerWaalsContact C-N 3.31Å; G296-E298 PolarHBondContact O-N 3.47Å; E298-W425 PolarHBondContact OE1-NE1 2.69Å
299	Q	95.9	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-80.4	-19.4	179.2	-63.3	-79	10	0	0	112.6	L171 I236 P237 M238 F251 Y252 R295 G296 V297	L171-Q299 HydrophobicContact CD2-CB 4.09Å; L171-Q299 HydrophobicContact CD2-CG 4.22Å; I236-Q299 PolarHBondContact O-NE2 2.83Å; P237-Q299 PolarHBondContact O-NE2 3.27Å; M238-Q299 HydrophobicContact SD-CG 4.25Å; M238-Q299 PolarHBondContact SD-OE1 2.85Å; F251-Q299 WeakPolarHBondContact CA-O 3.43Å; Y252-Q299 HydrophobicContact CD2-CB 3.9Å; Y252-Q299 WeakPolarHBondContact CD2-O 3.34Å; Y252-Q299 HydrophobicContact CE2-CB 4.19Å; Y252-Q299 PolarHBondContact N-O 3.01Å; R295-Q299 VanDerWaalsContact O-CG 3.23Å; R295-Q299 WeakPolarHBondContact O-CG 3.49Å; R295-Q299 PolarHBondContact O-N 3.23Å; G296-Q299 PolarHBondContact O-N 2.97Å; G296-Q299 VanDerWaalsContact O-N 3.16Å; V297-Q299 VanDerWaalsContact C-N 3.29Å; V297-Q299 PolarHBondContact O-N 3.07Å
300	L	97.9	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.3	-178.1	-167.7	69.5	0	0	0	112	Y252 V255 G296 V297 M306 K419	Y252-L300 WeakPolarHBondContact O-CD1 3.4Å; V255-L300 HydrophobicContact CB-CD1 4.16Å; V255-L300 HydrophobicContact CG2-CB 4.21Å; V255-L300 HydrophobicContact CG2-CD1 3.63Å; G296-L300 PolarHBondContact O-N 3.24Å; G296-L300 VanDerWaalsContact O-N 3.13Å; V297-L300 PolarHBondContact O-N 3.36Å; L300-M306 HydrophobicContact CD1-CB 4.46Å; L300-M306 HydrophobicContact CD2-CB 3.82Å; L300-K419 HydrophobicContact CB-CD 4.24Å; L300-K419 HydrophobicContact CD2-CB 3.78Å; L300-K419 HydrophobicContact CD2-CD 4.47Å; L300-K419 HydrophobicContact CG-CB 4.42Å; L300-K419 WeakPolarHBondContact O-CD 3.11Å; L300-K419 PolarHBondContact O-NZ 2.91Å
301	A	97.3	Very high	97.6	Very high	18 Å²	18	20 Å²	20	15%	0.149	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	154.7	171.8	0	0	0	0	0	111.1	F251 Y252 G303 G304	F251-A301 HydrophobicContact CB-CB 3.8Å; Y252-A301 WeakPolarHBondContact O-CB 3.37Å; Y252-A301 PolarHBondContact O-N 3.14Å; A301-G303 PolarHBondContact O-N 3.2Å; A301-G304 WeakPolarHBondContact O-CA 3.28Å; A301-G304 PolarHBondContact O-N 2.63Å
302	V	97.3	Very high	97.5	Very high	82 Å²	82	14.2 Å²	14.2	50%	0.497	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.5	167.8	178.9	0	0	0	0	108.2	G304 K420 P422	V302-G304 VanDerWaalsContact C-N 3.26Å; V302-K420 VanDerWaalsContact CG1-O 3.3Å; V302-K420 WeakPolarHBondContact CG1-O 3.36Å; V302-P422 HydrophobicContact CG2-CG 4.13Å
303	G	97.1	Very high	97.4	Very high	55 Å²	55	14.1 Å²	14.1	57%	0.567	9%	0.091	S	C	*	.	E	Extended strand (participates in β ladder)	trans	86.1	-11.1	-167.5	0	0	0	0	0	113.9	A301 K419	A301-G303 PolarHBondContact O-N 3.2Å; G303-K419 WeakPolarHBondContact CA-O 3.41Å; G303-K419 PolarHBondContact N-O 3.03Å
304	G	97.7	Very high	97.3	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	159.5	178.6	0	0	0	0	0	113.1	D253 A301 V302 V418 K419	D253-G304 VanDerWaalsContact O-CA 3.28Å; D253-G304 WeakPolarHBondContact O-CA 3.37Å; A301-G304 WeakPolarHBondContact O-CA 3.28Å; A301-G304 PolarHBondContact O-N 2.63Å; V302-G304 VanDerWaalsContact C-N 3.26Å; G304-V418 WeakPolarHBondContact O-CA 3.48Å; G304-K419 PolarHBondContact O-N 2.82Å
305	R	98.4	Very high	97.3	Very high	26 Å²	26	13.4 Å²	13.4	10%	0.098	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.6	-179.5	-175.1	170.4	175.5	147.5	-4.2	110.6	L161 D253 R254 V255 D341 V416 L417 V418	L161-R305 PolarHBondContact O-NE 3.11Å; L161-R305 PolarHBondContact O-NH2 3Å; D253-R305 PolarHBondContact O-N 2.85Å; R254-R305 VanDerWaalsContact CA-O 3.31Å; R254-R305 WeakPolarHBondContact CA-O 3.29Å; V255-R305 PolarHBondContact N-O 3.27Å; V255-R305 VanDerWaalsContact N-O 3.12Å; R305-D341 IonicContact CZ-OD2 2.72Å; R305-D341 IonicContact NH1-OD2 3.88Å; R305-D341 IonicContact NH2-OD2 3.88Å; R305-D341 PolarHBondContact NH2-OD2 3.01Å; R305-V416 HydrophobicContact CG-CG1 3.89Å; R305-L417 CarbonylContact C-O 3.04Å; R305-L417 WeakPolarHBondContact CA-O 3.46Å; R305-V418 HydrophobicContact CB-CG2 4.5Å; R305-V418 HydrophobicContact CG-CG2 4.36Å
306	M	98.6	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.6	174.5	170	172.7	149.5	0	0	109.8	V255 C257 A293 V297 L300 L417	V255-M306 HydrophobicContact CB-CB 4.19Å; V255-M306 HydrophobicContact CB-CG 4.18Å; V255-M306 HydrophobicContact CG1-CG 4.31Å; V255-M306 HydrophobicContact CG1-SD 4.33Å; V255-M306 CarbonylContact O-C 3.57Å; V255-M306 WeakPolarHBondContact O-CA 3.43Å; C257-M306 HydrophobicContact CB-CE 3.82Å; C257-M306 WeakPolarHBondContact SG-CE 3.15Å; A293-M306 HydrophobicContact CB-CE 4.14Å; V297-M306 HydrophobicContact CB-SD 4.49Å; V297-M306 HydrophobicContact CG2-CE 4.13Å; V297-M306 HydrophobicContact CG2-SD 3.47Å; V297-M306 WeakPolarHBondContact CG2-SD 3.2Å; L300-M306 HydrophobicContact CD1-CB 4.46Å; L300-M306 HydrophobicContact CD2-CB 3.82Å; M306-L417 HydrophobicContact CB-CB 4.41Å; M306-L417 HydrophobicContact CE-CD1 4.18Å; M306-L417 PolarHBondContact N-O 2.78Å; M306-L417 PolarHBondContact O-N 3.1Å
307	V	98.7	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.2	170.7	175.6	0	0	0	0	108.2	P158 L161 L162 V255 L256 C257 V414 A415 V416	P158-V307 HydrophobicContact CB-CG1 3.75Å; L161-V307 HydrophobicContact CB-CG2 4.15Å; L162-V307 HydrophobicContact CD2-CB 3.95Å; L162-V307 HydrophobicContact CD2-CG2 3.54Å; L162-V307 HydrophobicContact CG-CB 4.1Å; L162-V307 HydrophobicContact CG-CG2 3.65Å; V255-V307 PolarHBondContact O-N 3.27Å; L256-V307 HydrophobicContact CD1-CB 4.26Å; L256-V307 HydrophobicContact CD1-CG1 4.36Å; C257-V307 PolarHBondContact N-O 3.22Å; V307-V414 HydrophobicContact CG1-CG1 3.46Å; V307-V414 VanDerWaalsContact CG1-CG1 3.46Å; V307-A415 WeakPolarHBondContact CA-O 3.3Å; V307-V416 HydrophobicContact CG2-CG1 4.39Å; V307-V416 HydrophobicContact CG2-CG2 4.23Å
308	Y	98.7	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.5	168.3	178.6	-91.3	0	0	0	108.4	C257 V259 A293 T310 E317 I321 I322 F413 V414 A415	C257-Y308 HydrophobicContact CB-CD2 4.2Å; C257-Y308 WeakPolarHBondContact O-CA 3.37Å; V259-Y308 HydrophobicContact CB-CE2 4.33Å; V259-Y308 HydrophobicContact CG1-CD2 4.25Å; V259-Y308 HydrophobicContact CG1-CE2 3.8Å; V259-Y308 HydrophobicContact CG2-CD2 4.45Å; V259-Y308 HydrophobicContact CG2-CE2 3.54Å; V259-Y308 WeakPolarHBondContact CG2-OH 3.39Å; A293-Y308 HydrophobicContact CB-CD2 4.15Å; A293-Y308 HydrophobicContact CB-CE2 4.23Å; Y308-T310 HydrophobicContact CD1-CG2 4.42Å; Y308-T310 HydrophobicContact CE1-CG2 3.5Å; Y308-E317 PolarHBondContact OH-O 2.87Å; Y308-I321 HydrophobicContact CE1-CG2 4.4Å; Y308-I321 HydrophobicContact CE2-CG2 3.81Å; Y308-I322 HydrophobicContact CD1-CD1 3.73Å; Y308-I322 HydrophobicContact CD1-CG1 4.42Å; Y308-I322 HydrophobicContact CE1-CD1 4.38Å; Y308-I322 HydrophobicContact CG-CD1 3.91Å; Y308-F413 HydrophobicContact CD1-CD1 4.23Å; Y308-F413 HydrophobicContact CD1-CE1 4.01Å; Y308-F413 HydrophobicContact CE1-CD1 4.26Å; Y308-F413 HydrophobicContact CE1-CE1 4.18Å; Y308-V414 WeakPolarHBondContact O-CA 3.27Å; Y308-A415 PolarHBondContact N-O 2.9Å; Y308-A415 PolarHBondContact O-N 2.81Å
309	S	98.3	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.7	176.4	60.8	0	0	0	0	112.4	P158 C257 D258 V259 F413	P158-S309 WeakPolarHBondContact CG-OG 3.4Å; C257-S309 PolarHBondContact O-N 3.47Å; D258-S309 WeakPolarHBondContact CA-OG 3.26Å; D258-S309 PolarHBondContact OD1-OG 3.44Å; V259-S309 PolarHBondContact N-O 2.97Å; V259-S309 VanDerWaalsContact N-O 3.15Å; S309-F413 WeakPolarHBondContact CA-O 3.35Å; S309-F413 WeakPolarHBondContact CB-O 3.22Å
310	T	98.1	Very high	97.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.6	172.1	83.6	0	0	0	0	110.2	V259 Y308 S312 D318 F412 F413	V259-T310 HydrophobicContact CG2-CG2 3.84Å; Y308-T310 HydrophobicContact CD1-CG2 4.42Å; Y308-T310 HydrophobicContact CE1-CG2 3.5Å; T310-S312 PolarHBondContact O-N 3.44Å; T310-S312 PolarHBondContact OG1-N 2.73Å; T310-S312 VanDerWaalsContact OG1-N 3.15Å; T310-D318 WeakPolarHBondContact CG2-OD1 3.29Å; T310-D318 PolarHBondContact OG1-OD1 2.89Å; T310-F412 WeakPolarHBondContact O-CD2 3.44Å; T310-F412 WeakPolarHBondContact O-CE2 3.36Å; T310-F412 WeakPolarHBondContact O-CG 3.41Å; T310-F413 PolarHBondContact N-O 3.14Å; T310-F413 PolarHBondContact O-N 3.47Å
311	C	96	Very high	97.4	Very high	28 Å²	28	10.3 Å²	10.3	19%	0.189	7%	0.074	C	C	.	.	S	Bend	trans	-88.1	23.7	168.4	67.7	0	0	0	0	112.7	C261 G263 G265 T266 F412	C261-C311 WeakPolarHBondContact CB-SG 3.46Å; C261-C311 WeakPolarHBondContact SG-CB 3.34Å; C261-C311 PolarHBondContact SG-N 2.89Å; C261-C311 CovalentContact SG-SG 2.08Å; C261-C311 PolarHBondContact SG-SG 2.83Å; G263-C311 CarbonylContact C-O 3.55Å; G263-C311 WeakPolarHBondContact CA-SG 3.38Å; G265-C311 VanDerWaalsContact CA-O 3.31Å; G265-C311 WeakPolarHBondContact CA-O 3.29Å; G265-C311 PolarHBondContact N-O 3.32Å; T266-C311 HydrophobicContact CG2-CB 3.73Å; C311-F412 HydrophobicContact CB-CD2 4.43Å; C311-F412 HydrophobicContact CB-CE2 4.3Å
312	S	95.6	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.067	C	C	.	.			trans	-113.6	160.7	-178	-169.9	0	0	0	0	111	S262 D264 T310 N314 E317	S262-S312 PolarHBondContact OG-OG 3.05Å; D264-S312 WeakPolarHBondContact OD1-CA 3.32Å; D264-S312 WeakPolarHBondContact OD1-CB 3.13Å; D264-S312 PolarHBondContact OD1-OG 3.31Å; T310-S312 PolarHBondContact O-N 3.44Å; T310-S312 PolarHBondContact OG1-N 2.73Å; T310-S312 VanDerWaalsContact OG1-N 3.15Å; S312-N314 WeakPolarHBondContact OG-CB 3.39Å; S312-N314 PolarHBondContact OG-N 3.02Å; S312-E317 PolarHBondContact OG-OE2 3.43Å
313	L	95.8	Very high	97.5	Very high	3 Å²	3	5.7 Å²	5.7	2%	0.016	4%	0.044	C	C	.	.			trans	-107.9	0.3	166.6	-61.2	173.3	0	0	0	111.5	Y42 F56 D264 R401 L403	Y42-L313 HydrophobicContact CE1-CB 3.69Å; Y42-L313 WeakPolarHBondContact OH-CB 3.38Å; F56-L313 HydrophobicContact CE2-CD1 3.69Å; F56-L313 HydrophobicContact CZ-CD1 3.75Å; D264-L313 PolarHBondContact OD1-N 3.36Å; L313-R401 PolarHBondContact O-NH1 2.82Å; L313-L403 HydrophobicContact CD2-CD2 4.08Å
314	N	96.2	Very high	97.4	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.005	2%	0.021	C	C	.	.			trans	-80.9	120.3	-171.2	-167.4	-42.8	0	0	0	111.4	Y41 Y42 S282 S312 I316 E317 D318	Y41-N314 PolarHBondContact OH-ND2 3.42Å; Y41-N314 PolarHBondContact OH-OD1 2.91Å; Y41-N314 VanDerWaalsContact OH-OD1 3.07Å; Y42-N314 PolarHBondContact OH-N 3.45Å; S282-N314 PolarHBondContact OG-ND2 2.79Å; S282-N314 VanDerWaalsContact OG-ND2 3.12Å; S312-N314 WeakPolarHBondContact OG-CB 3.39Å; S312-N314 PolarHBondContact OG-N 3.02Å; N314-I316 PolarHBondContact O-N 2.92Å; N314-I316 VanDerWaalsContact OD1-CB 3.29Å; N314-I316 WeakPolarHBondContact OD1-CB 3.47Å; N314-I316 VanDerWaalsContact OD1-CG1 3.27Å; N314-I316 WeakPolarHBondContact OD1-CG1 3.24Å; N314-I316 PolarHBondContact OD1-N 3.24Å; N314-E317 PolarHBondContact O-N 3.43Å; N314-D318 PolarHBondContact O-N 3.4Å
315	P	96.8	Very high	97.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	-177.4	24.7	-34.1	0	0	0	113.7	L47 E317 D318 E319 A320 V351 W354	L47-P315 HydrophobicContact CD1-CG 4.31Å; P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 2.74Å; P315-D318 PolarHBondContact O-N 2.81Å; P315-E319 WeakPolarHBondContact CA-OE2 3.27Å; P315-E319 PolarHBondContact O-N 3Å; P315-A320 VanDerWaalsContact O-CB 3.3Å; P315-A320 WeakPolarHBondContact O-CB 3.49Å; P315-A320 PolarHBondContact O-N 3.12Å; P315-V351 HydrophobicContact CB-CG2 4.36Å; P315-W354 HydrophobicContact CB-CB 3.81Å; P315-W354 HydrophobicContact CB-CD2 4.1Å; P315-W354 HydrophobicContact CB-CG 3.8Å; P315-W354 HydrophobicContact CG-CB 3.64Å; P315-W354 HydrophobicContact CG-CG 4Å
316	I	96.8	Very high	97.3	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.01	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.6	175.3	-53.8	-56.8	0	0	0	111.9	L283 H286 N314 L356 M382	L283-I316 HydrophobicContact CD2-CG2 4.32Å; H286-I316 HydrophobicContact CB-CG2 4.15Å; H286-I316 PolarHBondContact ND1-O 2.9Å; N314-I316 PolarHBondContact O-N 2.92Å; N314-I316 VanDerWaalsContact OD1-CB 3.29Å; N314-I316 WeakPolarHBondContact OD1-CB 3.47Å; N314-I316 VanDerWaalsContact OD1-CG1 3.27Å; N314-I316 WeakPolarHBondContact OD1-CG1 3.24Å; N314-I316 PolarHBondContact OD1-N 3.24Å; I316-L356 HydrophobicContact CD1-CD1 4.34Å; I316-M382 HydrophobicContact CD1-CB 4.28Å; I316-M382 WeakPolarHBondContact CD1-O 3.22Å; I316-M382 HydrophobicContact CG2-CB 4.27Å; I316-M382 HydrophobicContact CG2-CG 4.03Å; I316-M382 HydrophobicContact CG2-SD 4.47Å
317	E	97.4	Very high	97.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-14.2	177	-61.1	-176.7	80.1	0	0	112.1	C261 S262 S282 Q289 Y308 S312 N314 P315 I321	C261-E317 VanDerWaalsContact CA-OE1 3.28Å; C261-E317 WeakPolarHBondContact CA-OE1 3.21Å; S262-E317 WeakPolarHBondContact CB-OE2 3.48Å; S262-E317 PolarHBondContact N-OE1 3.35Å; S262-E317 PolarHBondContact OG-OE2 2.86Å; S282-E317 WeakPolarHBondContact CB-OE2 3.3Å; Q289-E317 PolarHBondContact NE2-OE1 2.75Å; Y308-E317 PolarHBondContact OH-O 2.87Å; S312-E317 PolarHBondContact OG-OE2 3.43Å; N314-E317 PolarHBondContact O-N 3.43Å; P315-E317 VanDerWaalsContact C-N 3.31Å; P315-E317 PolarHBondContact O-N 2.74Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å
318	D	97.7	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-98.2	-170.5	-63.1	-23.1	0	0	0	110.7	T310 N314 P315 A320 I321 I322 R401 F413	T310-D318 WeakPolarHBondContact CG2-OD1 3.29Å; T310-D318 PolarHBondContact OG1-OD1 2.89Å; N314-D318 PolarHBondContact O-N 3.4Å; P315-D318 PolarHBondContact O-N 2.81Å; D318-A320 VanDerWaalsContact C-N 3.3Å; D318-A320 PolarHBondContact O-N 2.86Å; D318-I321 WeakPolarHBondContact O-CB 3.44Å; D318-I321 PolarHBondContact O-N 2.92Å; D318-I321 VanDerWaalsContact O-N 3.08Å; D318-I322 PolarHBondContact O-N 3.38Å; D318-R401 IonicContact OD2-NH1 2.73Å; D318-R401 IonicContact OD2-NH2 2.93Å; D318-F413 HydrophobicContact CB-CB 4.32Å; D318-F413 HydrophobicContact CB-CD1 3.68Å; D318-F413 HydrophobicContact CB-CD2 3.65Å; D318-F413 HydrophobicContact CB-CE1 3.78Å; D318-F413 HydrophobicContact CB-CE2 3.74Å; D318-F413 HydrophobicContact CB-CG 3.61Å; D318-F413 HydrophobicContact CB-CZ 3.8Å; D318-F413 VanDerWaalsContact CG-CB 3.5Å; D318-F413 WeakPolarHBondContact OD1-CB 3.18Å; D318-F413 WeakPolarHBondContact OD1-CD1 3.43Å; D318-F413 WeakPolarHBondContact OD1-CG 3.46Å
319	E	97.8	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-32.3	-174.5	-65.9	89.7	162.4	0	0	113.4	P315 I321 I322 A323 G350 V351 W354 L396 R401 F413	P315-E319 WeakPolarHBondContact CA-OE2 3.27Å; P315-E319 PolarHBondContact O-N 3Å; E319-I321 VanDerWaalsContact C-N 3.27Å; E319-I321 PolarHBondContact O-N 3.17Å; E319-I322 PolarHBondContact O-N 2.81Å; E319-A323 WeakPolarHBondContact O-CB 3.49Å; E319-A323 PolarHBondContact O-N 3.35Å; E319-G350 WeakPolarHBondContact OE1-CA 3.49Å; E319-V351 HydrophobicContact CG-CG2 4.39Å; E319-V351 WeakPolarHBondContact CG-O 3.22Å; E319-V351 PolarHBondContact OE1-N 3.44Å; E319-W354 HydrophobicContact CB-CE3 4.37Å; E319-W354 HydrophobicContact CB-CH2 4Å; E319-W354 HydrophobicContact CB-CZ3 3.78Å; E319-L396 HydrophobicContact CB-CD1 4.43Å; E319-R401 IonicContact OE1-CZ 2.69Å; E319-R401 VanDerWaalsContact OE1-CZ 3.24Å; E319-R401 IonicContact OE1-NE 3.74Å; E319-R401 PolarHBondContact OE1-NE 2.84Å; E319-R401 IonicContact OE1-NH2 2.62Å; E319-R401 PolarHBondContact OE1-NH2 2.92Å; E319-R401 IonicContact OE2-CZ 3.89Å; E319-R401 IonicContact OE2-NE 3.67Å; E319-R401 IonicContact OE2-NH2 3.97Å; E319-R401 PolarHBondContact OE2-NH2 3.2Å; E319-F413 HydrophobicContact CG-CE2 4.24Å; E319-F413 HydrophobicContact CG-CZ 4.38Å
320	A	97.5	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-36.6	176.3	0	0	0	0	0	111.8	P315 D318 A324 W354	P315-A320 VanDerWaalsContact O-CB 3.3Å; P315-A320 WeakPolarHBondContact O-CB 3.49Å; P315-A320 PolarHBondContact O-N 3.12Å; D318-A320 VanDerWaalsContact C-N 3.3Å; D318-A320 PolarHBondContact O-N 2.86Å; A320-A324 VanDerWaalsContact O-CB 3.26Å; A320-A324 WeakPolarHBondContact O-CB 3.34Å; A320-A324 PolarHBondContact O-N 3.22Å; A320-W354 HydrophobicContact CB-CZ2 3.75Å
321	I	98.1	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-46.1	175.2	-62	-67.5	0	0	0	110.3	H286 Q289 L290 A293 Y308 E317 D318 E319 A324 L325	H286-I321 HydrophobicContact CB-CD1 4.44Å; H286-I321 VanDerWaalsContact ND1-CD1 3.29Å; H286-I321 WeakPolarHBondContact ND1-CD1 3.44Å; H286-I321 VanDerWaalsContact O-CD1 3.29Å; H286-I321 WeakPolarHBondContact O-CD1 3.4Å; Q289-I321 HydrophobicContact CB-CD1 3.89Å; Q289-I321 HydrophobicContact CB-CG1 4.28Å; L290-I321 HydrophobicContact CB-CD1 3.82Å; L290-I321 HydrophobicContact CD1-CG2 4.39Å; A293-I321 HydrophobicContact CB-CG2 4.25Å; Y308-I321 HydrophobicContact CE1-CG2 4.4Å; Y308-I321 HydrophobicContact CE2-CG2 3.81Å; E317-I321 WeakPolarHBondContact O-CG1 3.46Å; D318-I321 WeakPolarHBondContact O-CB 3.44Å; D318-I321 PolarHBondContact O-N 2.92Å; D318-I321 VanDerWaalsContact O-N 3.08Å; E319-I321 VanDerWaalsContact C-N 3.27Å; E319-I321 PolarHBondContact O-N 3.17Å; I321-A324 PolarHBondContact O-N 2.84Å; I321-L325 VanDerWaalsContact O-CB 3.29Å; I321-L325 WeakPolarHBondContact O-CB 3.48Å; I321-L325 PolarHBondContact O-N 2.99Å
322	I	98.3	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-46.3	180	-60.6	-54.6	0	0	0	111.2	Y308 D318 E319 L325 L326 L335 L396 F413 A415 L417	Y308-I322 HydrophobicContact CD1-CD1 3.73Å; Y308-I322 HydrophobicContact CD1-CG1 4.42Å; Y308-I322 HydrophobicContact CE1-CD1 4.38Å; Y308-I322 HydrophobicContact CG-CD1 3.91Å; D318-I322 PolarHBondContact O-N 3.38Å; E319-I322 PolarHBondContact O-N 2.81Å; I322-L325 PolarHBondContact O-N 2.96Å; I322-L326 HydrophobicContact CG2-CD1 3.76Å; I322-L326 HydrophobicContact CG2-CG 4.28Å; I322-L326 WeakPolarHBondContact O-CB 3.4Å; I322-L326 VanDerWaalsContact O-CG 3.27Å; I322-L326 WeakPolarHBondContact O-CG 3.47Å; I322-L326 PolarHBondContact O-N 3.39Å; I322-L335 HydrophobicContact CG2-CD1 3.85Å; I322-L335 HydrophobicContact CG2-CD2 3.95Å; I322-L335 HydrophobicContact CG2-CG 4.15Å; I322-L396 HydrophobicContact CB-CD2 4.47Å; I322-L396 HydrophobicContact CG2-CD2 3.99Å; I322-F413 HydrophobicContact CG1-CE1 4.07Å; I322-F413 HydrophobicContact CG1-CZ 4.18Å; I322-A415 HydrophobicContact CD1-CB 3.54Å; I322-A415 HydrophobicContact CG1-CB 3.77Å; I322-L417 HydrophobicContact CD1-CD1 4.24Å
323	A	97.3	Very high	96.3	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-49.9	177.2	0	0	0	0	0	111.2	E319 L325 L326 E327 W354 P385 L394 L396	E319-A323 WeakPolarHBondContact O-CB 3.49Å; E319-A323 PolarHBondContact O-N 3.35Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 PolarHBondContact O-N 2.81Å; A323-L326 PolarHBondContact O-N 2.83Å; A323-E327 WeakPolarHBondContact O-CB 3.37Å; A323-E327 WeakPolarHBondContact O-CG 3.48Å; A323-E327 PolarHBondContact O-N 2.78Å; A323-W354 HydrophobicContact CB-CH2 4.48Å; A323-P385 HydrophobicContact CB-CG 4.29Å; A323-L394 HydrophobicContact CB-CD1 3.82Å; A323-L396 HydrophobicContact CB-CD1 4.42Å; A323-L396 HydrophobicContact CB-CD2 4.42Å
324	A	96.6	Very high	96.4	Very high	10 Å²	10	24.8 Å²	24.8	8%	0.083	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-36.9	178.4	0	0	0	0	0	112.7	L290 A320 I321 K328 T381	L290-A324 HydrophobicContact CD1-CB 4.01Å; L290-A324 HydrophobicContact CD2-CB 4.19Å; A320-A324 VanDerWaalsContact O-CB 3.26Å; A320-A324 WeakPolarHBondContact O-CB 3.34Å; A320-A324 PolarHBondContact O-N 3.22Å; I321-A324 PolarHBondContact O-N 2.84Å; A324-K328 VanDerWaalsContact O-CB 3.3Å; A324-K328 WeakPolarHBondContact O-CB 3.28Å; A324-K328 PolarHBondContact O-N 2.92Å; A324-T381 HydrophobicContact CB-CG2 4.01Å
325	L	96.9	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.7	-43.3	178	-176.4	64.8	0	0	0	112.2	L290 A293 V294 V297 I321 I322 A323 S329 L333 L417 W425	L290-L325 HydrophobicContact CD1-CB 4.47Å; A293-L325 HydrophobicContact CB-CD2 4.09Å; V294-L325 HydrophobicContact CB-CD1 4.49Å; V294-L325 HydrophobicContact CG2-CD1 3.76Å; V297-L325 HydrophobicContact CG2-CD1 4.28Å; V297-L325 HydrophobicContact CG2-CD2 3.96Å; V297-L325 HydrophobicContact CG2-CG 4.5Å; I321-L325 VanDerWaalsContact O-CB 3.29Å; I321-L325 WeakPolarHBondContact O-CB 3.48Å; I321-L325 PolarHBondContact O-N 2.99Å; I322-L325 PolarHBondContact O-N 2.96Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 PolarHBondContact O-N 2.81Å; L325-S329 PolarHBondContact O-N 3.43Å; L325-S329 VanDerWaalsContact O-N 3.17Å; L325-L333 HydrophobicContact CD2-CD2 3.81Å; L325-L333 HydrophobicContact CG-CD2 3.74Å; L325-L417 HydrophobicContact CD2-CD1 3.78Å; L325-W425 HydrophobicContact CD1-CH2 4.41Å
326	L	96.6	Very high	96.4	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.063	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-44.8	178.4	-70.5	170.4	0	0	0	111.8	I322 A323 K328 S329 L333 L335 L394 L396 L417	I322-L326 HydrophobicContact CG2-CD1 3.76Å; I322-L326 HydrophobicContact CG2-CG 4.28Å; I322-L326 WeakPolarHBondContact O-CB 3.4Å; I322-L326 VanDerWaalsContact O-CG 3.27Å; I322-L326 WeakPolarHBondContact O-CG 3.47Å; I322-L326 PolarHBondContact O-N 3.39Å; A323-L326 PolarHBondContact O-N 2.83Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.95Å; L326-S329 WeakPolarHBondContact O-CB 3.43Å; L326-S329 PolarHBondContact O-N 2.72Å; L326-S329 PolarHBondContact O-OG 3.46Å; L326-L333 HydrophobicContact CD2-CB 4.31Å; L326-L333 HydrophobicContact CD2-CD2 4.29Å; L326-L333 HydrophobicContact CD2-CG 4.24Å; L326-L333 WeakPolarHBondContact CD2-O 3.33Å; L326-L335 HydrophobicContact CD1-CD1 3.89Å; L326-L335 HydrophobicContact CD1-CG 3.97Å; L326-L394 HydrophobicContact CB-CD2 3.65Å; L326-L394 HydrophobicContact CD1-CB 4.2Å; L326-L394 HydrophobicContact CD1-CD2 4.13Å; L326-L396 HydrophobicContact CD1-CD2 4.49Å; L326-L417 HydrophobicContact CD2-CD2 3.92Å; L326-L417 HydrophobicContact CG-CD2 4.48Å
327	E	94.3	Very high	96.3	Very high	90 Å²	90	29.9 Å²	29.9	42%	0.421	16%	0.164	S	C	.	.	H	α-helix	trans	-57.1	-46.8	175.6	-76.5	-171.4	145.1	0	0	111.3	A323 S329 E330 P385 L394	A323-E327 WeakPolarHBondContact O-CB 3.37Å; A323-E327 WeakPolarHBondContact O-CG 3.48Å; A323-E327 PolarHBondContact O-N 2.78Å; E327-S329 PolarHBondContact O-N 3.11Å; E327-E330 PolarHBondContact O-N 3.02Å; E327-P385 WeakPolarHBondContact OE1-CB 3.22Å; E327-P385 WeakPolarHBondContact OE1-CG 3.33Å; E327-L394 HydrophobicContact CG-CD2 4.42Å
328	K	94.2	Very high	96.1	Very high	90 Å²	90	30 Å²	30	39%	0.391	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-27.7	177.6	-163.4	-169.6	174.2	-171.3	0	112.2	V294 A324 L326 E330 P424 W425	V294-K328 HydrophobicContact CG2-CD 4.3Å; A324-K328 VanDerWaalsContact O-CB 3.3Å; A324-K328 WeakPolarHBondContact O-CB 3.28Å; A324-K328 PolarHBondContact O-N 2.92Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.95Å; K328-E330 VanDerWaalsContact C-N 3.31Å; K328-E330 PolarHBondContact O-N 3.31Å; K328-P424 WeakPolarHBondContact O-CG 3.43Å; K328-W425 HydrophobicContact CB-CH2 4.49Å; K328-W425 HydrophobicContact CB-CZ3 3.87Å; K328-W425 HydrophobicContact CD-CD2 4.45Å; K328-W425 HydrophobicContact CD-CE3 3.87Å; K328-W425 HydrophobicContact CD-CH2 3.92Å; K328-W425 HydrophobicContact CD-CZ3 3.59Å; K328-W425 HydrophobicContact CG-CE3 3.73Å; K328-W425 HydrophobicContact CG-CH2 4.23Å; K328-W425 HydrophobicContact CG-CZ3 3.46Å; K328-W425 VanDerWaalsContact CG-CZ3 3.46Å; K328-W425 VanDerWaalsContact O-CZ3 3.23Å; K328-W425 WeakPolarHBondContact O-CZ3 3.5Å
329	S	94.5	Very high	95.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-75.6	-16.7	-174.8	80.6	0	0	0	0	114.3	L325 L326 E327 G331 A332 L333 P424	L325-S329 PolarHBondContact O-N 3.43Å; L325-S329 VanDerWaalsContact O-N 3.17Å; L326-S329 WeakPolarHBondContact O-CB 3.43Å; L326-S329 PolarHBondContact O-N 2.72Å; L326-S329 PolarHBondContact O-OG 3.46Å; E327-S329 PolarHBondContact O-N 3.11Å; S329-G331 PolarHBondContact O-N 3.14Å; S329-A332 WeakPolarHBondContact O-CB 3.31Å; S329-A332 PolarHBondContact O-N 3.47Å; S329-L333 PolarHBondContact OG-N 2.87Å; S329-P424 WeakPolarHBondContact O-CD 3.5Å
330	E	93.1	Very high	95.3	Very high	160 Å²	160	36.3 Å²	36.3	75%	0.748	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.8	-178.6	-59.1	173.3	-160.6	0	0	112.7	E327 K328 A332 P424	E327-E330 PolarHBondContact O-N 3.02Å; K328-E330 VanDerWaalsContact C-N 3.31Å; K328-E330 PolarHBondContact O-N 3.31Å; E330-A332 VanDerWaalsContact C-N 3.35Å; E330-A332 PolarHBondContact O-N 3.28Å; E330-P424 HydrophobicContact CB-CG 4.3Å; E330-P424 HydrophobicContact CG-CG 4.29Å
331	G	93	Very high	95	Very high	63 Å²	63	38.2 Å²	38.2	65%	0.649	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	0.1	-179.7	0	0	0	0	0	115.3	S329 L333	S329-G331 PolarHBondContact O-N 3.14Å; G331-L333 PolarHBondContact O-N 3.42Å
332	A	96.2	Very high	94.8	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	23%	0.227	C	C	.	.	S	Bend	trans	-72	-16.1	173.9	0	0	0	0	0	113.4	S329 E330 K419 K420 A421 M423	S329-A332 WeakPolarHBondContact O-CB 3.31Å; S329-A332 PolarHBondContact O-N 3.47Å; E330-A332 VanDerWaalsContact C-N 3.35Å; E330-A332 PolarHBondContact O-N 3.28Å; A332-K419 CarbonylContact O-C 3.55Å; A332-K420 PolarHBondContact O-N 3.25Å; A332-A421 HydrophobicContact CB-CB 4.07Å; A332-A421 PolarHBondContact O-N 2.77Å; A332-M423 HydrophobicContact CB-SD 4.06Å
333	L	97.4	Very high	94.4	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.5	179.4	-166.8	71.3	0	0	0	109.4	V297 L325 L326 S329 G331 L417 K419 M423	V297-L333 HydrophobicContact CG1-CD1 3.91Å; V297-L333 HydrophobicContact CG1-CD2 4.31Å; V297-L333 HydrophobicContact CG2-CD1 4.25Å; V297-L333 HydrophobicContact CG2-CD2 3.92Å; L325-L333 HydrophobicContact CD2-CD2 3.81Å; L325-L333 HydrophobicContact CG-CD2 3.74Å; L326-L333 HydrophobicContact CD2-CB 4.31Å; L326-L333 HydrophobicContact CD2-CD2 4.29Å; L326-L333 HydrophobicContact CD2-CG 4.24Å; L326-L333 WeakPolarHBondContact CD2-O 3.33Å; S329-L333 PolarHBondContact OG-N 2.87Å; G331-L333 PolarHBondContact O-N 3.42Å; L333-L417 HydrophobicContact CD1-CB 4.05Å; L333-L417 HydrophobicContact CD2-CB 4.41Å; L333-L417 HydrophobicContact CD2-CD1 4.23Å; L333-L417 HydrophobicContact CD2-CD2 3.92Å; L333-L417 HydrophobicContact CD2-CG 4.42Å; L333-L417 HydrophobicContact CG-CB 4.25Å; L333-L417 HydrophobicContact CG-CD2 4.08Å; L333-K419 HydrophobicContact CD1-CB 4.12Å; L333-M423 HydrophobicContact CB-CE 4.38Å
334	E	97.2	Very high	94.2	Very high	74 Å²	74	45.3 Å²	45.3	35%	0.346	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.5	175.8	78	-179.6	-171.4	0	0	111.4	L417 V418 K420	E334-L417 CarbonylContact O-C 3.49Å; E334-L417 VanDerWaalsContact O-CA 3.28Å; E334-L417 WeakPolarHBondContact O-CA 3.49Å; E334-V418 HydrophobicContact CG-CB 4.11Å; E334-V418 PolarHBondContact N-O 2.87Å; E334-V418 PolarHBondContact O-N 3.48Å; E334-K420 HydrophobicContact CG-CG 4.46Å; E334-K420 WeakPolarHBondContact OE1-CE 3.36Å; E334-K420 IonicContact OE1-NZ 3.47Å; E334-K420 PolarHBondContact OE1-NZ 2.92Å; E334-K420 WeakPolarHBondContact OE2-CE 3.32Å; E334-K420 IonicContact OE2-NZ 3.35Å
335	L	97.5	Very high	94.2	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.4	163	-80.7	171.1	0	0	0	110.2	I322 L326 L394 H395 L396 R398 A415 V416 L417	I322-L335 HydrophobicContact CG2-CD1 3.85Å; I322-L335 HydrophobicContact CG2-CD2 3.95Å; I322-L335 HydrophobicContact CG2-CG 4.15Å; L326-L335 HydrophobicContact CD1-CD1 3.89Å; L326-L335 HydrophobicContact CD1-CG 3.97Å; L335-L394 WeakPolarHBondContact CD1-O 3.23Å; L335-H395 VanDerWaalsContact CD1-O 3.31Å; L335-H395 WeakPolarHBondContact CD1-O 3.34Å; L335-L396 HydrophobicContact CD1-CD2 4.25Å; L335-R398 HydrophobicContact CB-CB 4.22Å; L335-R398 WeakPolarHBondContact O-CD 3.27Å; L335-R398 PolarHBondContact O-NH1 3.02Å; L335-A415 HydrophobicContact CD2-CB 3.98Å; L335-V416 CarbonylContact C-O 3.58Å; L335-V416 WeakPolarHBondContact CA-O 3.46Å; L335-V416 WeakPolarHBondContact CD2-O 3.49Å; L335-L417 HydrophobicContact CD2-CD2 3.63Å; L335-L417 HydrophobicContact CD2-CG 4.23Å; L335-L417 HydrophobicContact CG-CD2 4.06Å
336	A	96.4	Very high	94.1	Very high	13 Å²	13	51.3 Å²	51.3	11%	0.107	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-80.7	141.8	172.4	0	0	0	0	0	110.4	A338 V416 V418	A336-A338 PolarHBondContact O-N 3.48Å; A336-V416 HydrophobicContact CB-CB 4.25Å; A336-V416 HydrophobicContact CB-CG1 3.89Å; A336-V416 PolarHBondContact N-O 2.89Å; A336-V418 HydrophobicContact CB-CG2 3.9Å
337	D	94.1	Very high	94.1	Very high	94 Å²	94	54 Å²	54	50%	0.503	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.8	116.4	169.7	-174.8	-4.3	0	0	0	109.6	S339	D337-S339 WeakPolarHBondContact OD1-CB 3.35Å; D337-S339 PolarHBondContact OD1-N 3.24Å; D337-S339 PolarHBondContact OD1-OG 3.35Å; D337-S339 PolarHBondContact OD2-OG 3.33Å
338	A	92.8	Very high	94.2	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	31%	0.307	C	S	.	.			trans	-109.1	7.3	-179.9	0	0	0	0	0	112.8	L161 A336 A340 D341 M400 V416	L161-A338 HydrophobicContact CD1-CB 4.49Å; L161-A338 HydrophobicContact CD2-CB 4.02Å; A336-A338 PolarHBondContact O-N 3.48Å; A338-A340 PolarHBondContact O-N 2.98Å; A338-D341 WeakPolarHBondContact O-CB 3.27Å; A338-D341 PolarHBondContact O-N 2.78Å; A338-M400 HydrophobicContact CB-SD 3.99Å; A338-V416 HydrophobicContact CB-CB 4.5Å; A338-V416 HydrophobicContact CB-CG2 3.8Å
339	S	88.6	Confident	94.3	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.1	-175.6	58.5	0	0	0	0	113.6	D337	D337-S339 WeakPolarHBondContact OD1-CB 3.35Å; D337-S339 PolarHBondContact OD1-N 3.24Å; D337-S339 PolarHBondContact OD1-OG 3.35Å; D337-S339 PolarHBondContact OD2-OG 3.33Å
340	A	90.7	Very high	94.4	Very high	84 Å²	84	51.6 Å²	51.6	69%	0.694	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.1	179.6	0	0	0	0	0	114.1	A338	A338-A340 PolarHBondContact O-N 2.98Å
341	D	91.4	Very high	94.5	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.6	-171.9	-71.1	-12.1	0	0	0	112.6	L161 K163 R305 A338	L161-D341 HydrophobicContact CD2-CB 3.61Å; K163-D341 WeakPolarHBondContact CE-OD1 3.44Å; K163-D341 WeakPolarHBondContact CE-OD2 3.3Å; K163-D341 IonicContact NZ-OD1 3.51Å; K163-D341 PolarHBondContact NZ-OD1 3.03Å; K163-D341 IonicContact NZ-OD2 3.49Å; K163-D341 PolarHBondContact NZ-OD2 3.29Å; R305-D341 IonicContact CZ-OD2 2.72Å; R305-D341 IonicContact NH1-OD2 3.88Å; R305-D341 IonicContact NH2-OD2 3.88Å; R305-D341 PolarHBondContact NH2-OD2 3.01Å; A338-D341 WeakPolarHBondContact O-CB 3.27Å; A338-D341 PolarHBondContact O-N 2.78Å
342	L	93.3	Very high	94.5	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	27%	0.274	C	S	.	.	S	Bend	trans	-131	76.7	-178.2	-66.2	176.8	0	0	0	111	I157 L160 L161 G344 L345	I157-L342 HydrophobicContact CB-CD1 4.45Å; I157-L342 HydrophobicContact CG1-CD1 4.47Å; I157-L342 HydrophobicContact CG2-CD1 3.76Å; L160-L342 HydrophobicContact CB-CD2 3.93Å; L160-L342 HydrophobicContact CD1-CD2 3.73Å; L160-L342 HydrophobicContact CG-CD2 4.44Å; L161-L342 HydrophobicContact CD1-CD1 4.45Å; L161-L342 HydrophobicContact CD2-CD1 3.76Å; L161-L342 HydrophobicContact CD2-CG 3.89Å; L161-L342 HydrophobicContact CG-CD1 3.97Å; L342-G344 PolarHBondContact O-N 3.2Å; L342-L345 HydrophobicContact CB-CB 4.02Å; L342-L345 HydrophobicContact CB-CD2 4.23Å; L342-L345 HydrophobicContact CD1-CD2 3.84Å; L342-L345 WeakPolarHBondContact O-CB 3.42Å; L342-L345 PolarHBondContact O-N 3.04Å
343	P	91.4	Very high	94.4	Very high	98 Å²	98	49.4 Å²	49.4	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	131.4	179.8	26	-33.8	0	0	0	110.5	W110	W110-P343 VanDerWaalsContact CA-O 3.28Å; W110-P343 WeakPolarHBondContact CA-O 3.38Å
344	G	92.6	Very high	94.3	Very high	47 Å²	47	49.4 Å²	49.4	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-1.5	-179.2	0	0	0	0	0	115.2	S109 L342 Q407	S109-G344 PolarHBondContact OG-O 3.19Å; L342-G344 PolarHBondContact O-N 3.2Å; G344-Q407 PolarHBondContact O-NE2 3.3Å
345	L	95.7	Very high	94.1	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	30%	0.3	C	S	.	.			trans	-78.8	127.7	167.7	-178.7	68.1	0	0	0	107.9	W110 I157 L342 M400	W110-L345 HydrophobicContact CB-CB 3.76Å; W110-L345 HydrophobicContact CD2-CD1 4.04Å; W110-L345 HydrophobicContact CG-CB 3.87Å; W110-L345 HydrophobicContact CG-CD1 3.92Å; W110-L345 HydrophobicContact CG-CG 4.49Å; I157-L345 HydrophobicContact CD1-CD1 3.9Å; I157-L345 HydrophobicContact CD1-CD2 3.97Å; I157-L345 HydrophobicContact CG1-CD2 4.41Å; I157-L345 HydrophobicContact CG2-CD2 4.41Å; L342-L345 HydrophobicContact CB-CB 4.02Å; L342-L345 HydrophobicContact CB-CD2 4.23Å; L342-L345 HydrophobicContact CD1-CD2 3.84Å; L342-L345 WeakPolarHBondContact O-CB 3.42Å; L342-L345 PolarHBondContact O-N 3.04Å; L345-M400 HydrophobicContact CD2-CE 3.86Å
346	K	95.8	Very high	93.9	Very high	121 Å²	121	49.7 Å²	49.7	53%	0.526	30%	0.299	S	S	.	.			trans	-90.7	128.1	169.7	-61.2	-173.5	-173	171.4	0	108.7	H406 Q407	K346-H406 HydrophobicContact CB-CB 4.13Å; K346-H406 HydrophobicContact CD-CB 4.28Å; K346-H406 PolarHBondContact NZ-O 3.04Å; K346-Q407 HydrophobicContact CB-CG 3.9Å; K346-Q407 HydrophobicContact CD-CG 3.87Å; K346-Q407 HydrophobicContact CG-CG 3.87Å
347	W	96.1	Very high	93.8	Very high	70 Å²	70	49.4 Å²	49.4	27%	0.265	30%	0.296	S	S	.	.			trans	-149.1	157.6	-179.8	58.8	-83.8	0	0	0	109.2	P349 M400 R401	W347-P349 HydrophobicContact CZ3-CB 4.25Å; W347-M400 HydrophobicContact CB-CB 4.37Å; W347-M400 HydrophobicContact CB-CE 4.25Å; W347-M400 VanDerWaalsContact CD1-CE 3.43Å; W347-M400 HydrophobicContact CD2-CB 4.33Å; W347-M400 HydrophobicContact CD2-CE 3.74Å; W347-M400 HydrophobicContact CD2-CG 4.07Å; W347-M400 HydrophobicContact CE3-CB 4.08Å; W347-M400 HydrophobicContact CE3-CE 4.49Å; W347-M400 HydrophobicContact CE3-CG 3.89Å; W347-M400 HydrophobicContact CG-CB 4.46Å; W347-M400 HydrophobicContact CG-CE 3.55Å; W347-M400 HydrophobicContact CZ3-CG 4.28Å; W347-R401 CarbonylContact C-O 3.57Å; W347-R401 VanDerWaalsContact CA-O 3.29Å; W347-R401 WeakPolarHBondContact CA-O 3.41Å
348	M	96.4	Very high	93.6	Very high	59 Å²	59	45.1 Å²	45.1	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.1	173.5	-68	-63.9	-64.6	0	0	109.5	P49 R401 L403	P49-M348 HydrophobicContact CG-CE 3.76Å; P49-M348 HydrophobicContact CG-SD 4.22Å; M348-R401 HydrophobicContact CB-CB 4.11Å; M348-R401 PolarHBondContact N-O 3.38Å; M348-R401 WeakPolarHBondContact O-CB 3.5Å; M348-R401 PolarHBondContact O-N 2.85Å; M348-L403 HydrophobicContact CG-CD1 3.85Å; M348-L403 HydrophobicContact CG-CG 4.23Å
349	P	96.6	Very high	93.3	Very high	62 Å²	62	51 Å²	51	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	153.2	175	27.4	-34.7	0	0	0	111.6	W347 E397 C399	W347-P349 HydrophobicContact CZ3-CB 4.25Å; P349-E397 HydrophobicContact CB-CB 4.27Å; P349-E397 VanDerWaalsContact CB-O 3.32Å; P349-E397 WeakPolarHBondContact CB-O 3.39Å; P349-C399 CarbonylContact C-O 3.46Å
350	G	95.6	Very high	93.3	Very high	9 Å²	9	54.4 Å²	54.4	9%	0.093	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.8	170.9	0	0	0	0	0	112.2	E319 L396 C399	E319-G350 WeakPolarHBondContact OE1-CA 3.49Å; G350-L396 WeakPolarHBondContact CA-O 3.1Å; G350-C399 PolarHBondContact N-O 3.5Å
351	V	95.3	Very high	93	Very high	33 Å²	33	51.9 Å²	51.9	20%	0.2	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-97.9	149.4	-178	-63.5	0	0	0	0	112.2	L47 P315 E319 W354	L47-V351 HydrophobicContact CD2-CB 4.34Å; L47-V351 HydrophobicContact CD2-CG1 3.75Å; L47-V351 HydrophobicContact CD2-CG2 3.8Å; P315-V351 HydrophobicContact CB-CG2 4.36Å; E319-V351 HydrophobicContact CG-CG2 4.39Å; E319-V351 WeakPolarHBondContact CG-O 3.22Å; E319-V351 PolarHBondContact OE1-N 3.44Å; V351-W354 HydrophobicContact CG2-CE3 4.13Å; V351-W354 WeakPolarHBondContact O-CZ3 3.37Å
352	T	94.1	Very high	93	Very high	64 Å²	64	54.2 Å²	54.2	39%	0.393	30%	0.3	S	S	.	.	S	Bend	trans	-104	-7.9	178.4	52.2	0	0	0	0	113.2	L391 L396	T352-L391 HydrophobicContact CG2-CD1 4.44Å; T352-L391 HydrophobicContact CG2-CG 4.39Å; T352-L396 HydrophobicContact CG2-CB 4.2Å; T352-L396 HydrophobicContact CG2-CD1 4.44Å
353	S	93	Very high	93	Very high	88 Å²	88	57.5 Å²	57.5	62%	0.615	31%	0.312	S	S	*	.			trans	-137.2	133.3	179.8	174.3	0	0	0	0	109.6
354	W	95.1	Very high	93.1	Very high	7 Å²	7	53 Å²	53	3%	0.027	28%	0.283	C	S	.	.			trans	-154.4	158.9	175.6	57.3	88.4	0	0	0	109.8	P315 E319 A320 A323 V351 M382 P384 L396	P315-W354 HydrophobicContact CB-CB 3.81Å; P315-W354 HydrophobicContact CB-CD2 4.1Å; P315-W354 HydrophobicContact CB-CG 3.8Å; P315-W354 HydrophobicContact CG-CB 3.64Å; P315-W354 HydrophobicContact CG-CG 4Å; E319-W354 HydrophobicContact CB-CE3 4.37Å; E319-W354 HydrophobicContact CB-CH2 4Å; E319-W354 HydrophobicContact CB-CZ3 3.78Å; A320-W354 HydrophobicContact CB-CZ2 3.75Å; A323-W354 HydrophobicContact CB-CH2 4.48Å; V351-W354 HydrophobicContact CG2-CE3 4.13Å; V351-W354 WeakPolarHBondContact O-CZ3 3.37Å; W354-M382 PolarHBondContact NE1-O 2.99Å; W354-P384 HydrophobicContact CD2-CG 3.66Å; W354-P384 HydrophobicContact CE3-CG 3.96Å; W354-P384 HydrophobicContact CG-CG 4.09Å; W354-P384 HydrophobicContact CH2-CB 4.12Å; W354-P384 HydrophobicContact CH2-CG 4.23Å; W354-P384 HydrophobicContact CZ2-CB 4.14Å; W354-P384 HydrophobicContact CZ2-CG 3.94Å; W354-P384 HydrophobicContact CZ3-CB 4.3Å; W354-P384 HydrophobicContact CZ3-CG 4.23Å; W354-L396 HydrophobicContact CH2-CD1 4.33Å; W354-L396 HydrophobicContact CZ3-CD1 4.19Å
355	K	94.1	Very high	93.1	Very high	82 Å²	82	53.8 Å²	53.8	36%	0.357	28%	0.28	S	S	.	.			trans	-111.3	159.9	174.8	-62	175.4	-175.1	165.5	0	110.6	Q45 W363	Q45-K355 PolarHBondContact NE2-O 3.46Å; Q45-K355 PolarHBondContact OE1-O 3.47Å; K355-W363 HydrophobicContact CB-CE3 3.62Å; K355-W363 HydrophobicContact CB-CZ3 3.85Å; K355-W363 HydrophobicContact CD-CE3 4.42Å
356	L	93.7	Very high	92.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.7	176	-172.7	150.2	0	0	0	109.5	L283 I316 T358 W363 F364 I378 M382 F383	L283-L356 HydrophobicContact CD2-CD1 3.63Å; L283-L356 HydrophobicContact CD2-CD2 4.21Å; L283-L356 HydrophobicContact CD2-CG 3.94Å; I316-L356 HydrophobicContact CD1-CD1 4.34Å; L356-T358 HydrophobicContact CD2-CG2 4.22Å; L356-W363 CarbonylContact O-C 3.52Å; L356-W363 WeakPolarHBondContact O-CA 3.32Å; L356-F364 HydrophobicContact CD2-CD2 4.03Å; L356-F364 PolarHBondContact N-O 2.9Å; L356-F364 PolarHBondContact O-N 3.16Å; L356-I378 HydrophobicContact CD1-CG1 4.34Å; L356-I378 HydrophobicContact CD1-CG2 3.65Å; L356-I378 HydrophobicContact CD2-CD1 3.68Å; L356-I378 HydrophobicContact CD2-CG1 4.04Å; L356-I378 HydrophobicContact CD2-CG2 4.44Å; L356-M382 HydrophobicContact CD1-CB 3.88Å; L356-M382 HydrophobicContact CD1-SD 4Å; L356-F383 HydrophobicContact CB-CE1 3.92Å; L356-F383 HydrophobicContact CB-CZ 4.05Å; L356-F383 HydrophobicContact CD1-CE2 4.17Å; L356-F383 HydrophobicContact CD1-CZ 3.96Å
357	M	93.1	Very high	92.7	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.5	174.2	-167.9	-173.8	71.6	0	0	110.8	L37 Y41 T279 Q362 W363	L37-M357 HydrophobicContact CD1-CE 3.56Å; L37-M357 HydrophobicContact CD1-SD 4.17Å; L37-M357 HydrophobicContact CD2-CE 4.13Å; L37-M357 HydrophobicContact CG-CE 3.67Å; Y41-M357 HydrophobicContact CD2-CB 3.71Å; Y41-M357 HydrophobicContact CD2-CE 3.64Å; Y41-M357 HydrophobicContact CD2-CG 4.43Å; Y41-M357 HydrophobicContact CD2-SD 3.95Å; Y41-M357 HydrophobicContact CE2-CB 3.74Å; Y41-M357 HydrophobicContact CG-CE 4.18Å; T279-M357 WeakPolarHBondContact CB-O 3.37Å; T279-M357 HydrophobicContact CG2-CB 4.28Å; T279-M357 HydrophobicContact CG2-CE 3.5Å; T279-M357 VanDerWaalsContact CG2-CE 3.5Å; T279-M357 PolarHBondContact OG1-O 3.43Å; M357-Q362 CarbonylContact C-O 3.55Å; M357-Q362 VanDerWaalsContact CA-O 3.32Å; M357-Q362 WeakPolarHBondContact CA-O 3.4Å; M357-W363 HydrophobicContact CB-CD2 3.82Å; M357-W363 HydrophobicContact CB-CE3 3.68Å; M357-W363 HydrophobicContact CB-CH2 3.88Å; M357-W363 HydrophobicContact CB-CZ2 3.97Å; M357-W363 HydrophobicContact CB-CZ3 3.73Å; M357-W363 HydrophobicContact CG-CD2 3.92Å; M357-W363 HydrophobicContact CG-CE3 4.31Å; M357-W363 HydrophobicContact CG-CG 4.38Å; M357-W363 HydrophobicContact CG-CH2 4.39Å; M357-W363 HydrophobicContact CG-CZ2 3.96Å; M357-W363 HydrophobicContact SD-CD2 4.45Å; M357-W363 HydrophobicContact SD-CH2 4.18Å; M357-W363 HydrophobicContact SD-CZ2 3.47Å; M357-W363 WeakPolarHBondContact SD-CZ2 3.36Å
358	T	90.5	Very high	92.5	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.025	29%	0.292	C	S	.	.			trans	-87.8	169.9	174.6	76.7	0	0	0	0	111.9	T279 L356 E360 G361 Q362 F364 R374 I378	T279-T358 PolarHBondContact OG1-O 3.44Å; L356-T358 HydrophobicContact CD2-CG2 4.22Å; T358-E360 WeakPolarHBondContact CB-OE2 3.46Å; T358-E360 PolarHBondContact O-N 3.11Å; T358-E360 VanDerWaalsContact O-N 3.13Å; T358-E360 PolarHBondContact OG1-OE2 3.02Å; T358-G361 PolarHBondContact O-N 3.12Å; T358-Q362 PolarHBondContact N-O 3.15Å; T358-F364 HydrophobicContact CG2-CD2 4.01Å; T358-F364 HydrophobicContact CG2-CE2 3.54Å; T358-R374 PolarHBondContact OG1-NH1 2.99Å; T358-R374 VanDerWaalsContact OG1-NH1 3.12Å; T358-I378 HydrophobicContact CG2-CD1 4.13Å
359	K	87.3	Confident	92.3	Very high	124 Å²	124	55.5 Å²	55.5	54%	0.539	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.3	179.5	-176.8	178.2	175.1	-179	0	112.9	T278 T279 G361	T278-K359 HydrophobicContact CG2-CG 4.45Å; T279-K359 PolarHBondContact OG1-N 3.46Å; K359-G361 VanDerWaalsContact C-N 3.27Å; K359-G361 PolarHBondContact O-N 3.16Å
360	E	88	Confident	92	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.4	178.1	-53.9	73.4	-143.6	0	0	113.4	T358 R374	T358-E360 WeakPolarHBondContact CB-OE2 3.46Å; T358-E360 PolarHBondContact O-N 3.11Å; T358-E360 VanDerWaalsContact O-N 3.13Å; T358-E360 PolarHBondContact OG1-OE2 3.02Å; E360-R374 IonicContact OE1-NH2 3.61Å; E360-R374 IonicContact OE2-CZ 2.86Å; E360-R374 VanDerWaalsContact OE2-CZ 3.31Å; E360-R374 IonicContact OE2-NH1 3.58Å; E360-R374 PolarHBondContact OE2-NH1 3.21Å; E360-R374 IonicContact OE2-NH2 3.97Å; E360-R374 PolarHBondContact OE2-NH2 3.31Å
361	G	84.9	Confident	91.8	Very high	30 Å²	30	55 Å²	55	31%	0.309	30%	0.295	S	S	.	.	S	Bend	trans	83.2	11.9	-178.6	0	0	0	0	0	114.6	T358 K359	T358-G361 PolarHBondContact O-N 3.12Å; K359-G361 VanDerWaalsContact C-N 3.27Å; K359-G361 PolarHBondContact O-N 3.16Å
362	Q	90.3	Very high	91.5	Very high	89 Å²	89	58.2 Å²	58.2	42%	0.416	32%	0.32	S	S	.	.			trans	-80.3	131.3	175.5	-174.9	176.6	4.3	0	0	110.4	M357 T358 F364	M357-Q362 CarbonylContact C-O 3.55Å; M357-Q362 VanDerWaalsContact CA-O 3.32Å; M357-Q362 WeakPolarHBondContact CA-O 3.4Å; T358-Q362 PolarHBondContact N-O 3.15Å; Q362-F364 HydrophobicContact CG-CE1 4.29Å; Q362-F364 HydrophobicContact CG-CE2 4.08Å; Q362-F364 HydrophobicContact CG-CZ 3.82Å
363	W	93.9	Very high	91.3	Very high	75 Å²	75	59.9 Å²	59.9	28%	0.284	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143.4	178.6	-67.8	92.4	0	0	0	112.4	Y41 E44 Q45 K355 L356 M357	Y41-W363 AromaticContact CD2-CH2 3.33Å; Y41-W363 HydrophobicContact CD2-CH2 3.33Å; Y41-W363 AromaticContact CD2-CZ2 3.97Å; Y41-W363 HydrophobicContact CD2-CZ2 3.97Å; Y41-W363 HydrophobicContact CD2-CZ3 4Å; Y41-W363 AromaticContact CE2-CH2 3.76Å; Y41-W363 HydrophobicContact CE2-CH2 3.76Å; Y41-W363 AromaticContact CE2-CZ3 3.95Å; Y41-W363 HydrophobicContact CE2-CZ3 3.95Å; Y41-W363 HydrophobicContact CG-CH2 4.16Å; E44-W363 HydrophobicContact CB-CH2 3.78Å; E44-W363 HydrophobicContact CB-CZ2 3.54Å; E44-W363 HydrophobicContact CG-CZ2 4.08Å; Q45-W363 HydrophobicContact CG-CH2 4.06Å; Q45-W363 HydrophobicContact CG-CZ3 4.2Å; K355-W363 HydrophobicContact CB-CE3 3.62Å; K355-W363 HydrophobicContact CB-CZ3 3.85Å; K355-W363 HydrophobicContact CD-CE3 4.42Å; L356-W363 CarbonylContact O-C 3.52Å; L356-W363 WeakPolarHBondContact O-CA 3.32Å; M357-W363 HydrophobicContact CB-CD2 3.82Å; M357-W363 HydrophobicContact CB-CE3 3.68Å; M357-W363 HydrophobicContact CB-CH2 3.88Å; M357-W363 HydrophobicContact CB-CZ2 3.97Å; M357-W363 HydrophobicContact CB-CZ3 3.73Å; M357-W363 HydrophobicContact CG-CD2 3.92Å; M357-W363 HydrophobicContact CG-CE3 4.31Å; M357-W363 HydrophobicContact CG-CG 4.38Å; M357-W363 HydrophobicContact CG-CH2 4.39Å; M357-W363 HydrophobicContact CG-CZ2 3.96Å; M357-W363 HydrophobicContact SD-CD2 4.45Å; M357-W363 HydrophobicContact SD-CH2 4.18Å; M357-W363 HydrophobicContact SD-CZ2 3.47Å; M357-W363 WeakPolarHBondContact SD-CZ2 3.36Å
364	F	93.9	Very high	91	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.5	171.9	-60.4	-70.9	0	0	0	108.8	L356 T358 Q362 E369 V370 P371 I378 F383	L356-F364 HydrophobicContact CD2-CD2 4.03Å; L356-F364 PolarHBondContact N-O 2.9Å; L356-F364 PolarHBondContact O-N 3.16Å; T358-F364 HydrophobicContact CG2-CD2 4.01Å; T358-F364 HydrophobicContact CG2-CE2 3.54Å; Q362-F364 HydrophobicContact CG-CE1 4.29Å; Q362-F364 HydrophobicContact CG-CE2 4.08Å; Q362-F364 HydrophobicContact CG-CZ 3.82Å; F364-E369 HydrophobicContact CD1-CB 3.76Å; F364-E369 HydrophobicContact CE1-CB 4.46Å; F364-E369 VanDerWaalsContact CE1-O 3.28Å; F364-E369 WeakPolarHBondContact CE1-O 3.41Å; F364-V370 HydrophobicContact CB-CG2 4.31Å; F364-V370 HydrophobicContact CD1-CG2 4.34Å; F364-V370 HydrophobicContact CD2-CG2 4.41Å; F364-V370 HydrophobicContact CG-CG2 4.1Å; F364-P371 HydrophobicContact CZ-CG 4.44Å; F364-I378 HydrophobicContact CD2-CD1 4.27Å; F364-I378 HydrophobicContact CE2-CD1 4.21Å; F364-F383 HydrophobicContact CB-CE1 3.99Å; F364-F383 HydrophobicContact CB-CZ 4.1Å
365	S	92.1	Very high	90.7	Very high	62 Å²	62	61.6 Å²	61.6	43%	0.434	33%	0.33	S	S	.	.	S	Bend	trans	-96.8	-22.5	174.2	-53.3	0	0	0	0	111.4	E369	S365-E369 PolarHBondContact N-OE2 3.32Å
366	D	91.1	Very high	90.3	Very high	34 Å²	34	63 Å²	63	18%	0.182	35%	0.346	C	S	.	.	S	Bend	trans	-136.1	149.8	-178.5	-160.4	-80.1	0	0	0	112.5	S368 E369 K386	D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 WeakPolarHBondContact OD1-CB 3.43Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 3.02Å; D366-E369 HydrophobicContact CB-CG 4.22Å; D366-E369 PolarHBondContact N-OE2 2.76Å; D366-E369 WeakPolarHBondContact O-CB 3.31Å; D366-E369 PolarHBondContact O-N 3.45Å; D366-E369 VanDerWaalsContact O-N 3.13Å; D366-K386 IonicContact OD1-NZ 2.75Å; D366-K386 PolarHBondContact OD1-NZ 3.07Å; D366-K386 WeakPolarHBondContact OD2-CE 3.28Å; D366-K386 IonicContact OD2-NZ 3.67Å; D366-K386 PolarHBondContact OD2-NZ 2.99Å
367	W	91.5	Very high	89.9	Confident	69 Å²	69	67.4 Å²	67.4	26%	0.261	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-56	-35.4	171.8	172.5	-112.7	0	0	0	113.1	E369 V370 H375 I378 P380 F383	W367-E369 PolarHBondContact O-N 2.82Å; W367-V370 HydrophobicContact CE3-CB 4.02Å; W367-V370 HydrophobicContact CE3-CG1 4.41Å; W367-V370 HydrophobicContact CE3-CG2 3.9Å; W367-V370 HydrophobicContact CZ3-CB 4.15Å; W367-V370 HydrophobicContact CZ3-CG1 4.06Å; W367-V370 HydrophobicContact CZ3-CG2 4.34Å; W367-V370 WeakPolarHBondContact O-CB 3.37Å; W367-V370 PolarHBondContact O-N 2.64Å; W367-H375 HydrophobicContact CH2-CB 3.74Å; W367-H375 AromaticContact CH2-CD2 3.29Å; W367-H375 WeakPolarHBondContact CH2-CD2 3.14Å; W367-H375 AromaticContact CH2-CG 3.4Å; W367-H375 AromaticContact CH2-ND1 3.97Å; W367-H375 AromaticContact CH2-NE2 3.8Å; W367-H375 HydrophobicContact CZ2-CB 4.25Å; W367-H375 AromaticContact CZ2-CD2 3.64Å; W367-H375 AromaticContact CZ2-CE1 3.68Å; W367-H375 AromaticContact CZ2-CG 3.61Å; W367-H375 AromaticContact CZ2-ND1 3.66Å; W367-H375 AromaticContact CZ2-NE2 3.68Å; W367-H375 AromaticContact CZ3-CD2 3.87Å; W367-I378 HydrophobicContact CE3-CG2 4.1Å; W367-I378 VanDerWaalsContact CH2-O 3.31Å; W367-I378 WeakPolarHBondContact CH2-O 3.29Å; W367-I378 HydrophobicContact CZ3-CB 4.17Å; W367-I378 HydrophobicContact CZ3-CG2 3.86Å; W367-I378 WeakPolarHBondContact CZ3-O 3.31Å; W367-P380 HydrophobicContact CD2-CB 4.46Å; W367-P380 HydrophobicContact CD2-CG 3.94Å; W367-P380 HydrophobicContact CE3-CG 4.47Å; W367-P380 HydrophobicContact CG-CB 4.37Å; W367-P380 HydrophobicContact CG-CG 4.22Å; W367-P380 HydrophobicContact CZ2-CG 4.1Å; W367-F383 HydrophobicContact CB-CD2 3.99Å; W367-F383 HydrophobicContact CB-CE2 4.13Å; W367-F383 AromaticContact CE3-CE2 3.96Å; W367-F383 HydrophobicContact CE3-CE2 3.96Å
368	S	91.8	Very high	89.8	Confident	96 Å²	96	67.1 Å²	67.1	67%	0.671	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21	180	60.6	0	0	0	0	113.8	D366 V370	D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 WeakPolarHBondContact OD1-CB 3.43Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 3.02Å; S368-V370 VanDerWaalsContact C-N 3.31Å
369	E	92.4	Very high	89.9	Confident	102 Å²	102	72 Å²	72	48%	0.477	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-81	-15.3	177.4	-59.5	171.7	172.1	0	0	112	F364 S365 D366 W367 P371	F364-E369 HydrophobicContact CD1-CB 3.76Å; F364-E369 HydrophobicContact CE1-CB 4.46Å; F364-E369 VanDerWaalsContact CE1-O 3.28Å; F364-E369 WeakPolarHBondContact CE1-O 3.41Å; S365-E369 PolarHBondContact N-OE2 3.32Å; D366-E369 HydrophobicContact CB-CG 4.22Å; D366-E369 PolarHBondContact N-OE2 2.76Å; D366-E369 WeakPolarHBondContact O-CB 3.31Å; D366-E369 PolarHBondContact O-N 3.45Å; D366-E369 VanDerWaalsContact O-N 3.13Å; W367-E369 PolarHBondContact O-N 2.82Å; E369-P371 WeakPolarHBondContact O-CD 3.28Å
370	V	91.3	Very high	90.2	Very high	7 Å²	7	69.7 Å²	69.7	4%	0.042	38%	0.381	C	S	.	.	S	Bend	trans	-76.5	121.6	-174.3	-176.1	0	0	0	0	110.3	F364 W367 S368 R374 H375 I378 F383	F364-V370 HydrophobicContact CB-CG2 4.31Å; F364-V370 HydrophobicContact CD1-CG2 4.34Å; F364-V370 HydrophobicContact CD2-CG2 4.41Å; F364-V370 HydrophobicContact CG-CG2 4.1Å; W367-V370 HydrophobicContact CE3-CB 4.02Å; W367-V370 HydrophobicContact CE3-CG1 4.41Å; W367-V370 HydrophobicContact CE3-CG2 3.9Å; W367-V370 HydrophobicContact CZ3-CB 4.15Å; W367-V370 HydrophobicContact CZ3-CG1 4.06Å; W367-V370 HydrophobicContact CZ3-CG2 4.34Å; W367-V370 WeakPolarHBondContact O-CB 3.37Å; W367-V370 PolarHBondContact O-N 2.64Å; S368-V370 VanDerWaalsContact C-N 3.31Å; V370-R374 HydrophobicContact CG1-CB 4.07Å; V370-H375 PolarHBondContact O-NE2 3.25Å; V370-I378 HydrophobicContact CG1-CB 4.02Å; V370-I378 HydrophobicContact CG1-CD1 3.83Å; V370-I378 HydrophobicContact CG1-CG2 4.16Å; V370-I378 HydrophobicContact CG2-CG2 3.97Å; V370-F383 HydrophobicContact CG2-CE2 4.07Å; V370-F383 HydrophobicContact CG2-CZ 3.66Å
371	P	90.8	Very high	90.6	Very high	52 Å²	52	66.2 Å²	66.2	34%	0.338	37%	0.368	S	S	.	.			trans	-60.2	142.5	176.9	-22.6	33	0	0	0	112.1	F364 E369 S373 R374 H375	F364-P371 HydrophobicContact CZ-CG 4.44Å; E369-P371 WeakPolarHBondContact O-CD 3.28Å; P371-S373 PolarHBondContact O-N 3.48Å; P371-R374 PolarHBondContact O-N 3.16Å; P371-H375 PolarHBondContact O-CD2 2.87Å; P371-H375 VanDerWaalsContact O-CD2 3.27Å
372	S	89.4	Confident	91.1	Very high	101 Å²	101	64.8 Å²	64.8	71%	0.706	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.5	-179	-47.1	0	0	0	0	114	R374 H375	S372-R374 PolarHBondContact O-N 3.4Å; S372-H375 PolarHBondContact O-N 2.63Å
373	S	89.3	Confident	91.3	Very high	99 Å²	99	61.4 Å²	61.4	69%	0.692	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.5	175.5	57.5	0	0	0	0	113.9	P371	P371-S373 PolarHBondContact O-N 3.48Å
374	R	87.1	Confident	91.3	Very high	55 Å²	55	59.1 Å²	59.1	21%	0.208	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-106.9	2	-177.1	-63.7	-172.8	175.8	-142.6	-7.5	113.8	T358 E360 V370 P371 S372 T376 Q377 I378	T358-R374 PolarHBondContact OG1-NH1 2.99Å; T358-R374 VanDerWaalsContact OG1-NH1 3.12Å; E360-R374 IonicContact OE1-NH2 3.61Å; E360-R374 IonicContact OE2-CZ 2.86Å; E360-R374 VanDerWaalsContact OE2-CZ 3.31Å; E360-R374 IonicContact OE2-NH1 3.58Å; E360-R374 PolarHBondContact OE2-NH1 3.21Å; E360-R374 IonicContact OE2-NH2 3.97Å; E360-R374 PolarHBondContact OE2-NH2 3.31Å; V370-R374 HydrophobicContact CG1-CB 4.07Å; P371-R374 PolarHBondContact O-N 3.16Å; S372-R374 PolarHBondContact O-N 3.4Å; R374-T376 PolarHBondContact O-N 3.04Å; R374-T376 VanDerWaalsContact O-N 3.1Å; R374-Q377 PolarHBondContact O-N 3.34Å; R374-I378 HydrophobicContact CB-CD1 4.24Å; R374-I378 PolarHBondContact O-N 3.42Å
375	H	87.9	Confident	91	Very high	76 Å²	76	59.7 Å²	59.7	35%	0.352	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.2	-179.2	-72.2	-169.7	0	0	0	114.4	W367 V370 P371 S372 I378	W367-H375 HydrophobicContact CH2-CB 3.74Å; W367-H375 AromaticContact CH2-CD2 3.29Å; W367-H375 WeakPolarHBondContact CH2-CD2 3.14Å; W367-H375 AromaticContact CH2-CG 3.4Å; W367-H375 AromaticContact CH2-ND1 3.97Å; W367-H375 AromaticContact CH2-NE2 3.8Å; W367-H375 HydrophobicContact CZ2-CB 4.25Å; W367-H375 AromaticContact CZ2-CD2 3.64Å; W367-H375 AromaticContact CZ2-CE1 3.68Å; W367-H375 AromaticContact CZ2-CG 3.61Å; W367-H375 AromaticContact CZ2-ND1 3.66Å; W367-H375 AromaticContact CZ2-NE2 3.68Å; W367-H375 AromaticContact CZ3-CD2 3.87Å; V370-H375 PolarHBondContact O-NE2 3.25Å; P371-H375 PolarHBondContact O-CD2 2.87Å; P371-H375 VanDerWaalsContact O-CD2 3.27Å; S372-H375 PolarHBondContact O-N 2.63Å; H375-I378 CarbonylContact C-O 3.51Å; H375-I378 VanDerWaalsContact O-O 3.09Å
376	T	85.3	Confident	90.8	Very high	113 Å²	113	64 Å²	64	69%	0.693	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-31.4	172.8	52.2	0	0	0	0	112.7	R374	R374-T376 PolarHBondContact O-N 3.04Å; R374-T376 VanDerWaalsContact O-N 3.1Å
377	Q	85.8	Confident	90.6	Very high	92 Å²	92	65.1 Å²	65.1	43%	0.43	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-46	-176.7	-64	177.1	17.3	0	0	111.3	R374 M382	R374-Q377 PolarHBondContact O-N 3.34Å; Q377-M382 WeakPolarHBondContact O-CE 3.33Å
378	I	92.1	Very high	90.4	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	37%	0.371	C	S	.	.	S	Bend	trans	-94.4	137.5	178.8	-59.4	167.8	0	0	0	108	L356 T358 F364 W367 V370 R374 H375 M382 F383	L356-I378 HydrophobicContact CD1-CG1 4.34Å; L356-I378 HydrophobicContact CD1-CG2 3.65Å; L356-I378 HydrophobicContact CD2-CD1 3.68Å; L356-I378 HydrophobicContact CD2-CG1 4.04Å; L356-I378 HydrophobicContact CD2-CG2 4.44Å; T358-I378 HydrophobicContact CG2-CD1 4.13Å; F364-I378 HydrophobicContact CD2-CD1 4.27Å; F364-I378 HydrophobicContact CE2-CD1 4.21Å; W367-I378 HydrophobicContact CE3-CG2 4.1Å; W367-I378 VanDerWaalsContact CH2-O 3.31Å; W367-I378 WeakPolarHBondContact CH2-O 3.29Å; W367-I378 HydrophobicContact CZ3-CB 4.17Å; W367-I378 HydrophobicContact CZ3-CG2 3.86Å; W367-I378 WeakPolarHBondContact CZ3-O 3.31Å; V370-I378 HydrophobicContact CG1-CB 4.02Å; V370-I378 HydrophobicContact CG1-CD1 3.83Å; V370-I378 HydrophobicContact CG1-CG2 4.16Å; V370-I378 HydrophobicContact CG2-CG2 3.97Å; R374-I378 HydrophobicContact CB-CD1 4.24Å; R374-I378 PolarHBondContact O-N 3.42Å; H375-I378 CarbonylContact C-O 3.51Å; H375-I378 VanDerWaalsContact O-O 3.09Å; I378-M382 HydrophobicContact CB-SD 4.46Å; I378-M382 HydrophobicContact CG2-SD 4.17Å; I378-F383 HydrophobicContact CG2-CE2 3.6Å; I378-F383 HydrophobicContact CG2-CZ 3.98Å
379	R	92.6	Very high	90.2	Very high	107 Å²	107	69.9 Å²	69.9	40%	0.404	38%	0.376	S	S	.	.			trans	-125.2	154.1	-177.5	-60.3	-179.1	-178.7	-152	-4.1	110.5	T381 M382	R379-T381 PolarHBondContact O-N 3.37Å; R379-M382 HydrophobicContact CB-CE 4.39Å; R379-M382 HydrophobicContact CB-CG 4.28Å; R379-M382 HydrophobicContact CB-SD 4.31Å; R379-M382 HydrophobicContact CG-CE 4.29Å; R379-M382 PolarHBondContact N-SD 3.4Å; R379-M382 VanDerWaalsContact O-CB 3.32Å; R379-M382 WeakPolarHBondContact O-CB 3.47Å; R379-M382 PolarHBondContact O-N 3.23Å
380	P	93.4	Very high	89.8	Confident	75 Å²	75	71 Å²	71	49%	0.487	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-55.9	-35.6	175.4	-25.2	33	0	0	0	113.4	W367 M382 F383	W367-P380 HydrophobicContact CD2-CB 4.46Å; W367-P380 HydrophobicContact CD2-CG 3.94Å; W367-P380 HydrophobicContact CE3-CG 4.47Å; W367-P380 HydrophobicContact CG-CB 4.37Å; W367-P380 HydrophobicContact CG-CG 4.22Å; W367-P380 HydrophobicContact CZ2-CG 4.1Å; P380-M382 PolarHBondContact O-N 3.16Å; P380-F383 PolarHBondContact O-N 3.18Å; P380-F383 VanDerWaalsContact O-N 3.15Å
381	T	94.9	Very high	89.7	Confident	50 Å²	50	72.1 Å²	72.1	31%	0.307	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-66.1	-6.4	179.5	55.6	0	0	0	0	114.4	H286 L290 A324 R379	H286-T381 PolarHBondContact CE1-O 3.48Å; H286-T381 VanDerWaalsContact CE1-O 3.29Å; H286-T381 PolarHBondContact NE2-OG1 3.13Å; L290-T381 HydrophobicContact CD2-CG2 4.4Å; A324-T381 HydrophobicContact CB-CG2 4.01Å; R379-T381 PolarHBondContact O-N 3.37Å
382	M	95.8	Very high	89.7	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-87.6	-10	176.6	-63.5	173.7	169.7	0	0	112.7	L283 H286 I316 W354 L356 Q377 I378 R379 P380	L283-M382 HydrophobicContact CD2-CE 4.24Å; L283-M382 HydrophobicContact CD2-SD 3.73Å; L283-M382 VanDerWaalsContact O-CE 3.24Å; L283-M382 WeakPolarHBondContact O-CE 3.2Å; H286-M382 HydrophobicContact CB-CE 3.66Å; I316-M382 HydrophobicContact CD1-CB 4.28Å; I316-M382 WeakPolarHBondContact CD1-O 3.22Å; I316-M382 HydrophobicContact CG2-CB 4.27Å; I316-M382 HydrophobicContact CG2-CG 4.03Å; I316-M382 HydrophobicContact CG2-SD 4.47Å; W354-M382 PolarHBondContact NE1-O 2.99Å; L356-M382 HydrophobicContact CD1-CB 3.88Å; L356-M382 HydrophobicContact CD1-SD 4Å; Q377-M382 WeakPolarHBondContact O-CE 3.33Å; I378-M382 HydrophobicContact CB-SD 4.46Å; I378-M382 HydrophobicContact CG2-SD 4.17Å; R379-M382 HydrophobicContact CB-CE 4.39Å; R379-M382 HydrophobicContact CB-CG 4.28Å; R379-M382 HydrophobicContact CB-SD 4.31Å; R379-M382 HydrophobicContact CG-CE 4.29Å; R379-M382 PolarHBondContact N-SD 3.4Å; R379-M382 VanDerWaalsContact O-CB 3.32Å; R379-M382 WeakPolarHBondContact O-CB 3.47Å; R379-M382 PolarHBondContact O-N 3.23Å; P380-M382 PolarHBondContact O-N 3.16Å
383	F	95.4	Very high	89.7	Confident	17 Å²	17	70.4 Å²	70.4	8%	0.075	39%	0.386	C	S	.	.	S	Bend	trans	-103.7	155	-179.1	-65.4	-89.7	0	0	0	111	L356 F364 W367 V370 I378 P380	L356-F383 HydrophobicContact CB-CE1 3.92Å; L356-F383 HydrophobicContact CB-CZ 4.05Å; L356-F383 HydrophobicContact CD1-CE2 4.17Å; L356-F383 HydrophobicContact CD1-CZ 3.96Å; F364-F383 HydrophobicContact CB-CE1 3.99Å; F364-F383 HydrophobicContact CB-CZ 4.1Å; W367-F383 HydrophobicContact CB-CD2 3.99Å; W367-F383 HydrophobicContact CB-CE2 4.13Å; W367-F383 AromaticContact CE3-CE2 3.96Å; W367-F383 HydrophobicContact CE3-CE2 3.96Å; V370-F383 HydrophobicContact CG2-CE2 4.07Å; V370-F383 HydrophobicContact CG2-CZ 3.66Å; I378-F383 HydrophobicContact CG2-CE2 3.6Å; I378-F383 HydrophobicContact CG2-CZ 3.98Å; P380-F383 PolarHBondContact O-N 3.18Å; P380-F383 VanDerWaalsContact O-N 3.15Å
384	P	92.7	Very high	89.8	Confident	28 Å²	28	66.6 Å²	66.6	18%	0.182	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-60.2	145.8	173.2	-18.7	29.3	0	0	0	112.2	W354 K386	W354-P384 HydrophobicContact CD2-CG 3.66Å; W354-P384 HydrophobicContact CE3-CG 3.96Å; W354-P384 HydrophobicContact CG-CG 4.09Å; W354-P384 HydrophobicContact CH2-CB 4.12Å; W354-P384 HydrophobicContact CH2-CG 4.23Å; W354-P384 HydrophobicContact CZ2-CB 4.14Å; W354-P384 HydrophobicContact CZ2-CG 3.94Å; W354-P384 HydrophobicContact CZ3-CB 4.3Å; W354-P384 HydrophobicContact CZ3-CG 4.23Å; P384-K386 PolarHBondContact O-N 3.05Å
385	P	89.3	Confident	90.2	Very high	16 Å²	16	67.3 Å²	67.3	10%	0.104	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-54.7	133.7	167.6	-25.6	32.9	0	0	0	112.1	A323 E327 L391 L394	A323-P385 HydrophobicContact CB-CG 4.29Å; E327-P385 WeakPolarHBondContact OE1-CB 3.22Å; E327-P385 WeakPolarHBondContact OE1-CG 3.33Å; P385-L391 HydrophobicContact CB-CD1 4.35Å; P385-L391 HydrophobicContact CG-CD1 4.13Å; P385-L394 HydrophobicContact CG-CD1 3.79Å
386	K	86.1	Confident	90.6	Very high	152 Å²	152	63.7 Å²	63.7	66%	0.661	35%	0.347	S	S	*	.	S	Bend	trans	-77.7	-26.2	-177.6	-58.6	-167.5	-171.2	-156	0	114.1	D366 P384 P388	D366-K386 IonicContact OD1-NZ 2.75Å; D366-K386 PolarHBondContact OD1-NZ 3.07Å; D366-K386 WeakPolarHBondContact OD2-CE 3.28Å; D366-K386 IonicContact OD2-NZ 3.67Å; D366-K386 PolarHBondContact OD2-NZ 2.99Å; P384-K386 PolarHBondContact O-N 3.05Å; K386-P388 VanDerWaalsContact O-CD 3.3Å; K386-P388 WeakPolarHBondContact O-CD 3.49Å
387	D	88.1	Confident	91.1	Very high	59 Å²	59	62.3 Å²	62.3	32%	0.316	33%	0.332	S	S	.	.			trans	-83.3	111.8	-174.5	-178.3	-15.5	0	0	0	109.3	E389 K390 L391	D387-E389 VanDerWaalsContact C-N 3.27Å; D387-E389 PolarHBondContact O-N 3.06Å; D387-E389 PolarHBondContact OD1-N 3.22Å; D387-E389 VanDerWaalsContact OD1-N 3.16Å; D387-K390 HydrophobicContact CB-CB 4Å; D387-K390 HydrophobicContact CB-CD 3.88Å; D387-K390 HydrophobicContact CB-CG 4.04Å; D387-K390 PolarHBondContact O-N 3.37Å; D387-K390 VanDerWaalsContact OD2-CD 3.3Å; D387-K390 WeakPolarHBondContact OD2-CD 3.46Å; D387-K390 WeakPolarHBondContact OD2-CE 3.49Å; D387-K390 WeakPolarHBondContact OD2-CG 3.38Å; D387-K390 IonicContact OD2-NZ 3.67Å; D387-K390 PolarHBondContact OD2-NZ 3.05Å; D387-L391 WeakPolarHBondContact O-CB 3.43Å; D387-L391 PolarHBondContact O-N 3.41Å
388	P	87.3	Confident	91.6	Very high	99 Å²	99	61.5 Å²	61.5	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-62.3	-32.5	-175.1	-22.8	34.7	0	0	0	113.5	K386 A392	K386-P388 VanDerWaalsContact O-CD 3.3Å; K386-P388 WeakPolarHBondContact O-CD 3.49Å; P388-A392 WeakPolarHBondContact O-CB 3.38Å; P388-A392 PolarHBondContact O-N 3.47Å
389	E	86.5	Confident	91.9	Very high	166 Å²	166	61.4 Å²	61.4	78%	0.776	33%	0.325	S	S	*	.	H	α-helix	trans	-70	-42.8	178.7	-67.5	-173	174.2	0	0	110.5	D387 G393	D387-E389 VanDerWaalsContact C-N 3.27Å; D387-E389 PolarHBondContact O-N 3.06Å; D387-E389 PolarHBondContact OD1-N 3.22Å; D387-E389 VanDerWaalsContact OD1-N 3.16Å; E389-G393 PolarHBondContact O-N 3.13Å
390	K	85.8	Confident	92.1	Very high	125 Å²	125	56.5 Å²	56.5	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-46.3	174.1	-70.2	179.4	-171.6	159.8	0	111.1	D387 A392 G393 L394	D387-K390 HydrophobicContact CB-CB 4Å; D387-K390 HydrophobicContact CB-CD 3.88Å; D387-K390 HydrophobicContact CB-CG 4.04Å; D387-K390 PolarHBondContact O-N 3.37Å; D387-K390 VanDerWaalsContact OD2-CD 3.3Å; D387-K390 WeakPolarHBondContact OD2-CD 3.46Å; D387-K390 WeakPolarHBondContact OD2-CE 3.49Å; D387-K390 WeakPolarHBondContact OD2-CG 3.38Å; D387-K390 IonicContact OD2-NZ 3.67Å; D387-K390 PolarHBondContact OD2-NZ 3.05Å; K390-A392 VanDerWaalsContact C-N 3.35Å; K390-A392 PolarHBondContact O-N 3.41Å; K390-G393 CarbonylContact O-C 3.12Å; K390-G393 WeakPolarHBondContact O-CA 3.2Å; K390-G393 PolarHBondContact O-N 3.03Å; K390-L394 WeakPolarHBondContact O-CG 3.26Å; K390-L394 PolarHBondContact O-N 2.99Å
391	L	88.8	Confident	92.3	Very high	30 Å²	30	53.1 Å²	53.1	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-44.7	-179.9	-174.5	61.2	0	0	0	111.8	T352 P385 D387 G393 L394 L396	T352-L391 HydrophobicContact CG2-CD1 4.44Å; T352-L391 HydrophobicContact CG2-CG 4.39Å; P385-L391 HydrophobicContact CB-CD1 4.35Å; P385-L391 HydrophobicContact CG-CD1 4.13Å; D387-L391 WeakPolarHBondContact O-CB 3.43Å; D387-L391 PolarHBondContact O-N 3.41Å; L391-G393 VanDerWaalsContact C-N 3.31Å; L391-G393 PolarHBondContact O-N 2.89Å; L391-L394 HydrophobicContact CD1-CD1 4.47Å; L391-L394 WeakPolarHBondContact O-CB 3.35Å; L391-L394 PolarHBondContact O-N 2.8Å; L391-L396 HydrophobicContact CD1-CD1 4Å
392	A	89.4	Confident	92.5	Very high	66 Å²	66	50.8 Å²	50.8	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-37.1	174.2	0	0	0	0	0	112.2	P388 K390 L394 H395	P388-A392 WeakPolarHBondContact O-CB 3.38Å; P388-A392 PolarHBondContact O-N 3.47Å; K390-A392 VanDerWaalsContact C-N 3.35Å; K390-A392 PolarHBondContact O-N 3.41Å; A392-L394 VanDerWaalsContact C-N 3.26Å; A392-L394 PolarHBondContact O-N 2.85Å; A392-H395 PolarHBondContact O-N 3.44Å
393	G	89.4	Confident	92.5	Very high	51 Å²	51	51 Å²	51	53%	0.526	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-16.6	175.9	0	0	0	0	0	114.9	E389 K390 L391 H395	E389-G393 PolarHBondContact O-N 3.13Å; K390-G393 CarbonylContact O-C 3.12Å; K390-G393 WeakPolarHBondContact O-CA 3.2Å; K390-G393 PolarHBondContact O-N 3.03Å; L391-G393 VanDerWaalsContact C-N 3.31Å; L391-G393 PolarHBondContact O-N 2.89Å; G393-H395 VanDerWaalsContact C-N 3.34Å; G393-H395 PolarHBondContact O-CD2 2.81Å
394	L	92.5	Very high	92.5	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-74.6	-24.2	176.2	-64.8	-174.4	0	0	0	112.9	A323 L326 E327 L335 P385 K390 L391 A392 L396	A323-L394 HydrophobicContact CB-CD1 3.82Å; L326-L394 HydrophobicContact CB-CD2 3.65Å; L326-L394 HydrophobicContact CD1-CB 4.2Å; L326-L394 HydrophobicContact CD1-CD2 4.13Å; E327-L394 HydrophobicContact CG-CD2 4.42Å; L335-L394 WeakPolarHBondContact CD1-O 3.23Å; P385-L394 HydrophobicContact CG-CD1 3.79Å; K390-L394 WeakPolarHBondContact O-CG 3.26Å; K390-L394 PolarHBondContact O-N 2.99Å; L391-L394 HydrophobicContact CD1-CD1 4.47Å; L391-L394 WeakPolarHBondContact O-CB 3.35Å; L391-L394 PolarHBondContact O-N 2.8Å; A392-L394 VanDerWaalsContact C-N 3.26Å; A392-L394 PolarHBondContact O-N 2.85Å; L394-L396 HydrophobicContact CB-CD2 4.21Å; L394-L396 HydrophobicContact CB-CG 4.02Å; L394-L396 HydrophobicContact CD1-CD1 4.48Å; L394-L396 PolarHBondContact O-N 2.85Å
395	H	95.8	Very high	92.7	Very high	71 Å²	71	50.3 Å²	50.3	33%	0.329	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.4	-177	-63.4	-64	0	0	0	114.5	L335 A392 G393 E397 R398	L335-H395 VanDerWaalsContact CD1-O 3.31Å; L335-H395 WeakPolarHBondContact CD1-O 3.34Å; A392-H395 PolarHBondContact O-N 3.44Å; G393-H395 VanDerWaalsContact C-N 3.34Å; G393-H395 PolarHBondContact O-CD2 2.81Å; H395-E397 WeakPolarHBondContact CA-OE1 3.45Å; H395-E397 WeakPolarHBondContact CA-OE2 3.26Å; H395-E397 WeakPolarHBondContact CB-OE1 3.41Å; H395-E397 IonicContact CG-OE1 3.24Å; H395-E397 IonicContact ND1-OE1 3.58Å; H395-E397 PolarHBondContact ND1-OE1 2.83Å; H395-E397 PolarHBondContact O-N 2.84Å; H395-E397 VanDerWaalsContact O-N 3.13Å; H395-R398 HydrophobicContact CB-CG 4.18Å; H395-R398 WeakPolarHBondContact O-CB 3.4Å; H395-R398 WeakPolarHBondContact O-CG 3.23Å; H395-R398 PolarHBondContact O-N 2.86Å
396	L	96.1	Very high	93	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.4	-178.1	-64.1	180	0	0	0	113.1	E319 I322 A323 L326 L335 G350 T352 W354 L391 L394 R398 C399	E319-L396 HydrophobicContact CB-CD1 4.43Å; I322-L396 HydrophobicContact CB-CD2 4.47Å; I322-L396 HydrophobicContact CG2-CD2 3.99Å; A323-L396 HydrophobicContact CB-CD1 4.42Å; A323-L396 HydrophobicContact CB-CD2 4.42Å; L326-L396 HydrophobicContact CD1-CD2 4.49Å; L335-L396 HydrophobicContact CD1-CD2 4.25Å; G350-L396 WeakPolarHBondContact CA-O 3.1Å; T352-L396 HydrophobicContact CG2-CB 4.2Å; T352-L396 HydrophobicContact CG2-CD1 4.44Å; W354-L396 HydrophobicContact CH2-CD1 4.33Å; W354-L396 HydrophobicContact CZ3-CD1 4.19Å; L391-L396 HydrophobicContact CD1-CD1 4Å; L394-L396 HydrophobicContact CB-CD2 4.21Å; L394-L396 HydrophobicContact CB-CG 4.02Å; L394-L396 HydrophobicContact CD1-CD1 4.48Å; L394-L396 PolarHBondContact O-N 2.85Å; L396-R398 PolarHBondContact O-N 3.44Å; L396-R398 VanDerWaalsContact O-N 3.11Å; L396-C399 VanDerWaalsContact O-CB 3.32Å; L396-C399 WeakPolarHBondContact O-CB 3.32Å; L396-C399 PolarHBondContact O-N 2.8Å
397	E	95.3	Very high	93.3	Very high	83 Å²	83	46 Å²	46	39%	0.388	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-59.4	-18.9	173	70.4	-76.4	175.3	0	0	113.5	P349 H395 C399	P349-E397 HydrophobicContact CB-CB 4.27Å; P349-E397 VanDerWaalsContact CB-O 3.32Å; P349-E397 WeakPolarHBondContact CB-O 3.39Å; H395-E397 WeakPolarHBondContact CA-OE1 3.45Å; H395-E397 WeakPolarHBondContact CA-OE2 3.26Å; H395-E397 WeakPolarHBondContact CB-OE1 3.41Å; H395-E397 IonicContact CG-OE1 3.24Å; H395-E397 IonicContact ND1-OE1 3.58Å; H395-E397 PolarHBondContact ND1-OE1 2.83Å; H395-E397 PolarHBondContact O-N 2.84Å; H395-E397 VanDerWaalsContact O-N 3.13Å; E397-C399 VanDerWaalsContact C-N 3.3Å
398	R	97.1	Very high	93.6	Very high	76 Å²	76	45.5 Å²	45.5	29%	0.287	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-78.5	-12.4	175.9	-62.1	-179.1	-175.1	174.8	4.4	113.5	L335 H395 L396	L335-R398 HydrophobicContact CB-CB 4.22Å; L335-R398 WeakPolarHBondContact O-CD 3.27Å; L335-R398 PolarHBondContact O-NH1 3.02Å; H395-R398 HydrophobicContact CB-CG 4.18Å; H395-R398 WeakPolarHBondContact O-CB 3.4Å; H395-R398 WeakPolarHBondContact O-CG 3.23Å; H395-R398 PolarHBondContact O-N 2.86Å; L396-R398 PolarHBondContact O-N 3.44Å; L396-R398 VanDerWaalsContact O-N 3.11Å
399	C	97.5	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-68.7	148.8	169.7	-61.9	0	0	0	0	110	P349 G350 L396 E397 F413	P349-C399 CarbonylContact C-O 3.46Å; G350-C399 PolarHBondContact N-O 3.5Å; L396-C399 VanDerWaalsContact O-CB 3.32Å; L396-C399 WeakPolarHBondContact O-CB 3.32Å; L396-C399 PolarHBondContact O-N 2.8Å; E397-C399 VanDerWaalsContact C-N 3.3Å; C399-F413 HydrophobicContact CB-CE2 3.6Å; C399-F413 HydrophobicContact CB-CZ 3.63Å
400	M	97.8	Very high	94.3	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	-175.6	-56.5	176.8	79.9	0	0	110.1	L161 A338 L345 W347 I402 F413 V414	L161-M400 HydrophobicContact CD1-SD 3.85Å; A338-M400 HydrophobicContact CB-SD 3.99Å; L345-M400 HydrophobicContact CD2-CE 3.86Å; W347-M400 HydrophobicContact CB-CB 4.37Å; W347-M400 HydrophobicContact CB-CE 4.25Å; W347-M400 VanDerWaalsContact CD1-CE 3.43Å; W347-M400 HydrophobicContact CD2-CB 4.33Å; W347-M400 HydrophobicContact CD2-CE 3.74Å; W347-M400 HydrophobicContact CD2-CG 4.07Å; W347-M400 HydrophobicContact CE3-CB 4.08Å; W347-M400 HydrophobicContact CE3-CE 4.49Å; W347-M400 HydrophobicContact CE3-CG 3.89Å; W347-M400 HydrophobicContact CG-CB 4.46Å; W347-M400 HydrophobicContact CG-CE 3.55Å; W347-M400 HydrophobicContact CZ3-CG 4.28Å; M400-I402 HydrophobicContact CB-CD1 4.44Å; M400-F413 WeakPolarHBondContact O-CA 3.31Å; M400-V414 PolarHBondContact N-O 3.02Å; M400-V414 PolarHBondContact O-N 2.97Å
401	R	97.6	Very high	94.7	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.8	170.8	-72	176.6	162.5	-77.8	-7.3	109.8	L313 D318 E319 W347 M348 F413	L313-R401 PolarHBondContact O-NH1 2.82Å; D318-R401 IonicContact OD2-NH1 2.73Å; D318-R401 IonicContact OD2-NH2 2.93Å; E319-R401 IonicContact OE1-CZ 2.69Å; E319-R401 VanDerWaalsContact OE1-CZ 3.24Å; E319-R401 IonicContact OE1-NE 3.74Å; E319-R401 PolarHBondContact OE1-NE 2.84Å; E319-R401 IonicContact OE1-NH2 2.62Å; E319-R401 PolarHBondContact OE1-NH2 2.92Å; E319-R401 IonicContact OE2-CZ 3.89Å; E319-R401 IonicContact OE2-NE 3.67Å; E319-R401 IonicContact OE2-NH2 3.97Å; E319-R401 PolarHBondContact OE2-NH2 3.2Å; W347-R401 CarbonylContact C-O 3.57Å; W347-R401 VanDerWaalsContact CA-O 3.29Å; W347-R401 WeakPolarHBondContact CA-O 3.41Å; M348-R401 HydrophobicContact CB-CB 4.11Å; M348-R401 PolarHBondContact N-O 3.38Å; M348-R401 WeakPolarHBondContact O-CB 3.5Å; M348-R401 PolarHBondContact O-N 2.85Å; R401-F413 HydrophobicContact CG-CD2 3.92Å; R401-F413 HydrophobicContact CG-CE2 4.4Å
402	I	97.5	Very high	95.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.6	176.2	-61.2	84.6	0	0	0	107.7	V154 I157 M400 G411 F412 V414	V154-I402 HydrophobicContact CG1-CB 4.38Å; V154-I402 HydrophobicContact CG1-CG2 3.76Å; I157-I402 HydrophobicContact CD1-CD1 4.1Å; I157-I402 HydrophobicContact CD1-CG1 3.95Å; M400-I402 HydrophobicContact CB-CD1 4.44Å; I402-G411 WeakPolarHBondContact O-CA 3.47Å; I402-F412 HydrophobicContact CB-CB 4.17Å; I402-F412 HydrophobicContact CD1-CB 4.33Å; I402-F412 PolarHBondContact N-O 2.95Å; I402-F412 PolarHBondContact O-N 3.44Å; I402-F412 VanDerWaalsContact O-N 3.1Å; I402-V414 HydrophobicContact CD1-CG2 4.27Å
403	L	96.9	Very high	95.6	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.122	C	C	.	.			trans	-92.5	134.7	178.8	-57.8	-174.2	0	0	0	110.7	L313 M348 H405 H406	L313-L403 HydrophobicContact CD2-CD2 4.08Å; M348-L403 HydrophobicContact CG-CD1 3.85Å; M348-L403 HydrophobicContact CG-CG 4.23Å; L403-H405 VanDerWaalsContact C-N 3.33Å; L403-H405 PolarHBondContact O-N 2.64Å; L403-H406 PolarHBondContact O-N 2.83Å
404	P	95.6	Very high	96	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-52	-43.2	-175.5	-29.1	33.1	0	0	0	115.4	F56 A59 M60 H406 N408 T409	F56-P404 HydrophobicContact CD2-CG 4.38Å; F56-P404 HydrophobicContact CE2-CG 4.03Å; A59-P404 HydrophobicContact CB-CB 4.29Å; M60-P404 HydrophobicContact CG-CG 4.29Å; M60-P404 HydrophobicContact SD-CB 4.25Å; M60-P404 HydrophobicContact SD-CG 3.58Å; M60-P404 VanDerWaalsContact SD-CG 3.58Å; P404-H406 VanDerWaalsContact C-N 3.33Å; P404-H406 PolarHBondContact O-N 3.42Å; P404-N408 CarbonylContact O-C 3.53Å; P404-N408 WeakPolarHBondContact O-CA 3.5Å; P404-N408 PolarHBondContact O-N 2.95Å; P404-T409 VanDerWaalsContact CA-O 3.28Å; P404-T409 WeakPolarHBondContact CA-O 3.48Å; P404-T409 VanDerWaalsContact CB-O 3.31Å; P404-T409 WeakPolarHBondContact CB-O 3.44Å; P404-T409 PolarHBondContact O-N 2.87Å
405	H	95.7	Very high	96.3	Very high	31 Å²	31	20 Å²	20	14%	0.144	9%	0.093	C	C	.	.	H	α-helix	trans	-76.4	-16.2	-172.5	60.6	-65.7	0	0	0	113.7	E52 Q55 F56 A59 L403	E52-H405 IonicContact OE2-CD2 3.82Å; E52-H405 IonicContact OE2-CE1 2.78Å; E52-H405 IonicContact OE2-NE2 3.93Å; E52-H405 PolarHBondContact OE2-NE2 3.11Å; Q55-H405 HydrophobicContact CB-CB 4.42Å; F56-H405 AromaticContact CD2-ND1 3.71Å; A59-H405 HydrophobicContact CB-CB 3.76Å; L403-H405 VanDerWaalsContact C-N 3.33Å; L403-H405 PolarHBondContact O-N 2.64Å
406	H	95.4	Very high	96.4	Very high	33 Å²	33	16.8 Å²	16.8	15%	0.153	8%	0.078	C	C	.	.	H	α-helix	trans	-72.1	-35.4	-177.6	-71.6	176.8	0	0	0	113.5	E52 K346 L403 P404	E52-H406 IonicContact OE2-CD2 3.47Å; E52-H406 IonicContact OE2-CE1 3.9Å; E52-H406 IonicContact OE2-NE2 2.67Å; E52-H406 PolarHBondContact OE2-NE2 2.94Å; K346-H406 HydrophobicContact CB-CB 4.13Å; K346-H406 HydrophobicContact CD-CB 4.28Å; K346-H406 PolarHBondContact NZ-O 3.04Å; L403-H406 PolarHBondContact O-N 2.83Å; P404-H406 VanDerWaalsContact C-N 3.33Å; P404-H406 PolarHBondContact O-N 3.42Å
407	Q	93.8	Very high	96.5	Very high	45 Å²	45	16.8 Å²	16.8	21%	0.21	8%	0.078	C	C	.	.	H	α-helix	trans	-140.4	20.4	-179	-68.3	-172.1	-70.3	0	0	113.6	G344 K346 T409	G344-Q407 PolarHBondContact O-NE2 3.3Å; K346-Q407 HydrophobicContact CB-CG 3.9Å; K346-Q407 HydrophobicContact CD-CG 3.87Å; K346-Q407 HydrophobicContact CG-CG 3.87Å; Q407-T409 HydrophobicContact CB-CG2 4.15Å; Q407-T409 WeakPolarHBondContact O-CG2 3.34Å; Q407-T409 PolarHBondContact O-N 3.36Å
408	N	93.2	Very high	96.7	Very high	47 Å²	47	13.8 Å²	13.8	25%	0.251	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	48.3	-179.2	-168.4	16.2	0	0	0	113	P65 R268 P404	P65-N408 WeakPolarHBondContact CD-O 3.18Å; P65-N408 VanDerWaalsContact CG-O 3.28Å; P65-N408 WeakPolarHBondContact CG-O 3.38Å; R268-N408 VanDerWaalsContact CZ-OD1 3.28Å; R268-N408 PolarHBondContact NH1-O 2.82Å; R268-N408 PolarHBondContact NH1-OD1 2.93Å; R268-N408 PolarHBondContact NH2-OD1 3.04Å; P404-N408 CarbonylContact O-C 3.53Å; P404-N408 WeakPolarHBondContact O-CA 3.5Å; P404-N408 PolarHBondContact O-N 2.95Å
409	T	94.1	Very high	96.7	Very high	8 Å²	8	10.4 Å²	10.4	5%	0.049	5%	0.053	C	C	.	.			trans	-117.6	-176.4	-178.8	64.2	0	0	0	0	112.2	L64 A153 V154 R268 P404 Q407	L64-T409 VanDerWaalsContact CD2-C 3.44Å; A153-T409 HydrophobicContact CB-CG2 4.1Å; V154-T409 HydrophobicContact CG1-CG2 4.48Å; R268-T409 PolarHBondContact NH1-O 2.97Å; P404-T409 VanDerWaalsContact CA-O 3.28Å; P404-T409 WeakPolarHBondContact CA-O 3.48Å; P404-T409 VanDerWaalsContact CB-O 3.31Å; P404-T409 WeakPolarHBondContact CB-O 3.44Å; P404-T409 PolarHBondContact O-N 2.87Å; Q407-T409 HydrophobicContact CB-CG2 4.15Å; Q407-T409 WeakPolarHBondContact O-CG2 3.34Å; Q407-T409 PolarHBondContact O-N 3.36Å
410	G	94.2	Very high	96.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	8%	0.075	C	C	.	.			trans	-70.3	169.3	162.3	0	0	0	0	0	111.8	E152	E152-G410 WeakPolarHBondContact OE1-CA 3.49Å
411	G	96.1	Very high	96.7	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	9%	0.089	C	C	.	.			trans	-85	137.4	169.3	0	0	0	0	0	110.4	G265 I402	G265-G411 PolarHBondContact O-N 2.63Å; I402-G411 WeakPolarHBondContact O-CA 3.47Å
412	F	97.7	Very high	96.5	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.035	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	151.6	-173.3	-150.4	-105.8	0	0	0	112.4	V154 P158 T310 C311 I402 V414	V154-F412 HydrophobicContact CB-CB 3.64Å; V154-F412 HydrophobicContact CB-CD1 4.28Å; V154-F412 HydrophobicContact CB-CD2 4.08Å; V154-F412 HydrophobicContact CB-CG 3.75Å; V154-F412 HydrophobicContact CG1-CB 4Å; V154-F412 HydrophobicContact CG2-CB 3.94Å; V154-F412 HydrophobicContact CG2-CD2 3.78Å; V154-F412 HydrophobicContact CG2-CG 3.96Å; P158-F412 HydrophobicContact CG-CE1 3.52Å; P158-F412 HydrophobicContact CG-CZ 3.92Å; T310-F412 WeakPolarHBondContact O-CD2 3.44Å; T310-F412 WeakPolarHBondContact O-CE2 3.36Å; T310-F412 WeakPolarHBondContact O-CG 3.41Å; C311-F412 HydrophobicContact CB-CD2 4.43Å; C311-F412 HydrophobicContact CB-CE2 4.3Å; I402-F412 HydrophobicContact CB-CB 4.17Å; I402-F412 HydrophobicContact CD1-CB 4.33Å; I402-F412 PolarHBondContact N-O 2.95Å; I402-F412 PolarHBondContact O-N 3.44Å; I402-F412 VanDerWaalsContact O-N 3.1Å; F412-V414 HydrophobicContact CD1-CG2 3.58Å; F412-V414 HydrophobicContact CE1-CG2 3.65Å
413	F	98.3	Very high	96.4	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.7	175.2	177.5	-96.4	0	0	0	110.8	Y308 S309 T310 D318 E319 I322 C399 M400 R401 A415	Y308-F413 HydrophobicContact CD1-CD1 4.23Å; Y308-F413 HydrophobicContact CD1-CE1 4.01Å; Y308-F413 HydrophobicContact CE1-CD1 4.26Å; Y308-F413 HydrophobicContact CE1-CE1 4.18Å; S309-F413 WeakPolarHBondContact CA-O 3.35Å; S309-F413 WeakPolarHBondContact CB-O 3.22Å; T310-F413 PolarHBondContact N-O 3.14Å; T310-F413 PolarHBondContact O-N 3.47Å; D318-F413 HydrophobicContact CB-CB 4.32Å; D318-F413 HydrophobicContact CB-CD1 3.68Å; D318-F413 HydrophobicContact CB-CD2 3.65Å; D318-F413 HydrophobicContact CB-CE1 3.78Å; D318-F413 HydrophobicContact CB-CE2 3.74Å; D318-F413 HydrophobicContact CB-CG 3.61Å; D318-F413 HydrophobicContact CB-CZ 3.8Å; D318-F413 VanDerWaalsContact CG-CB 3.5Å; D318-F413 WeakPolarHBondContact OD1-CB 3.18Å; D318-F413 WeakPolarHBondContact OD1-CD1 3.43Å; D318-F413 WeakPolarHBondContact OD1-CG 3.46Å; E319-F413 HydrophobicContact CG-CE2 4.24Å; E319-F413 HydrophobicContact CG-CZ 4.38Å; I322-F413 HydrophobicContact CG1-CE1 4.07Å; I322-F413 HydrophobicContact CG1-CZ 4.18Å; C399-F413 HydrophobicContact CB-CE2 3.6Å; C399-F413 HydrophobicContact CB-CZ 3.63Å; M400-F413 WeakPolarHBondContact O-CA 3.31Å; R401-F413 HydrophobicContact CG-CD2 3.92Å; R401-F413 HydrophobicContact CG-CE2 4.4Å; F413-A415 HydrophobicContact CE1-CB 3.97Å; F413-A415 HydrophobicContact CZ-CB 4.22Å
414	V	98.3	Very high	96.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.5	175.5	-165.8	0	0	0	0	111.5	I157 P158 L161 V307 Y308 M400 I402 F412	I157-V414 HydrophobicContact CG2-CG2 3.96Å; P158-V414 HydrophobicContact CG-CG2 4.31Å; L161-V414 HydrophobicContact CD1-CB 4.38Å; L161-V414 HydrophobicContact CD1-CG1 3.77Å; V307-V414 HydrophobicContact CG1-CG1 3.46Å; V307-V414 VanDerWaalsContact CG1-CG1 3.46Å; Y308-V414 WeakPolarHBondContact O-CA 3.27Å; M400-V414 PolarHBondContact N-O 3.02Å; M400-V414 PolarHBondContact O-N 2.97Å; I402-V414 HydrophobicContact CD1-CG2 4.27Å; F412-V414 HydrophobicContact CD1-CG2 3.58Å; F412-V414 HydrophobicContact CE1-CG2 3.65Å
415	A	98.5	Very high	96	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.7	171.1	0	0	0	0	0	110.1	V307 Y308 I322 L335 F413	V307-A415 WeakPolarHBondContact CA-O 3.3Å; Y308-A415 PolarHBondContact N-O 2.9Å; Y308-A415 PolarHBondContact O-N 2.81Å; I322-A415 HydrophobicContact CD1-CB 3.54Å; I322-A415 HydrophobicContact CG1-CB 3.77Å; L335-A415 HydrophobicContact CD2-CB 3.98Å; F413-A415 HydrophobicContact CE1-CB 3.97Å; F413-A415 HydrophobicContact CZ-CB 4.22Å
416	V	98.5	Very high	95.3	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.1	179.6	-173.9	0	0	0	0	109.1	L161 R305 V307 L335 A336 A338	L161-V416 HydrophobicContact CB-CG2 4.05Å; L161-V416 HydrophobicContact CD1-CG2 4.04Å; R305-V416 HydrophobicContact CG-CG1 3.89Å; V307-V416 HydrophobicContact CG2-CG1 4.39Å; V307-V416 HydrophobicContact CG2-CG2 4.23Å; L335-V416 CarbonylContact C-O 3.58Å; L335-V416 WeakPolarHBondContact CA-O 3.46Å; L335-V416 WeakPolarHBondContact CD2-O 3.49Å; A336-V416 HydrophobicContact CB-CB 4.25Å; A336-V416 HydrophobicContact CB-CG1 3.89Å; A336-V416 PolarHBondContact N-O 2.89Å; A338-V416 HydrophobicContact CB-CB 4.5Å; A338-V416 HydrophobicContact CB-CG2 3.8Å
417	L	98.4	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.9	-175.7	-64	158.6	0	0	0	110.3	R305 M306 I322 L325 L326 L333 E334 L335	R305-L417 CarbonylContact C-O 3.04Å; R305-L417 WeakPolarHBondContact CA-O 3.46Å; M306-L417 HydrophobicContact CB-CB 4.41Å; M306-L417 HydrophobicContact CE-CD1 4.18Å; M306-L417 PolarHBondContact N-O 2.78Å; M306-L417 PolarHBondContact O-N 3.1Å; I322-L417 HydrophobicContact CD1-CD1 4.24Å; L325-L417 HydrophobicContact CD2-CD1 3.78Å; L326-L417 HydrophobicContact CD2-CD2 3.92Å; L326-L417 HydrophobicContact CG-CD2 4.48Å; L333-L417 HydrophobicContact CD1-CB 4.05Å; L333-L417 HydrophobicContact CD2-CB 4.41Å; L333-L417 HydrophobicContact CD2-CD1 4.23Å; L333-L417 HydrophobicContact CD2-CD2 3.92Å; L333-L417 HydrophobicContact CD2-CG 4.42Å; L333-L417 HydrophobicContact CG-CB 4.25Å; L333-L417 HydrophobicContact CG-CD2 4.08Å; E334-L417 CarbonylContact O-C 3.49Å; E334-L417 VanDerWaalsContact O-CA 3.28Å; E334-L417 WeakPolarHBondContact O-CA 3.49Å; L335-L417 HydrophobicContact CD2-CD2 3.63Å; L335-L417 HydrophobicContact CD2-CG 4.23Å; L335-L417 HydrophobicContact CG-CD2 4.06Å
418	V	98.2	Very high	92.1	Very high	20 Å²	20	41.6 Å²	41.6	12%	0.121	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	174.6	175.6	0	0	0	0	109.4	G304 R305 E334 A336 K420	G304-V418 WeakPolarHBondContact O-CA 3.48Å; R305-V418 HydrophobicContact CB-CG2 4.5Å; R305-V418 HydrophobicContact CG-CG2 4.36Å; E334-V418 HydrophobicContact CG-CB 4.11Å; E334-V418 PolarHBondContact N-O 2.87Å; E334-V418 PolarHBondContact O-N 3.48Å; A336-V418 HydrophobicContact CB-CG2 3.9Å; V418-K420 HydrophobicContact CG1-CD 4.25Å
419	K	98	Very high	89.2	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.5	179.8	179.9	175.2	-177.3	176.2	0	110.3	V297 L300 G303 G304 A332 L333 A421 M423	V297-K419 HydrophobicContact CG1-CD 4.34Å; V297-K419 PolarHBondContact O-NZ 3.23Å; L300-K419 HydrophobicContact CB-CD 4.24Å; L300-K419 HydrophobicContact CD2-CB 3.78Å; L300-K419 HydrophobicContact CD2-CD 4.47Å; L300-K419 HydrophobicContact CG-CB 4.42Å; L300-K419 WeakPolarHBondContact O-CD 3.11Å; L300-K419 PolarHBondContact O-NZ 2.91Å; G303-K419 WeakPolarHBondContact CA-O 3.41Å; G303-K419 PolarHBondContact N-O 3.03Å; G304-K419 PolarHBondContact O-N 2.82Å; A332-K419 CarbonylContact O-C 3.55Å; L333-K419 HydrophobicContact CD1-CB 4.12Å; K419-A421 WeakPolarHBondContact CE-O 3.46Å; K419-A421 VanDerWaalsContact CG-O 3.26Å; K419-A421 WeakPolarHBondContact CG-O 3.46Å; K419-M423 HydrophobicContact CD-SD 4.25Å; K419-M423 HydrophobicContact CG-SD 4.29Å
420	K	97.5	Very high	86.3	Confident	108 Å²	108	53 Å²	53	47%	0.47	26%	0.262	S	S	.	.			trans	-92.3	-26.7	-178.3	-63.6	-60.2	-175.3	-177.2	0	113.9	V302 A332 E334 V418	V302-K420 VanDerWaalsContact CG1-O 3.3Å; V302-K420 WeakPolarHBondContact CG1-O 3.36Å; A332-K420 PolarHBondContact O-N 3.25Å; E334-K420 HydrophobicContact CG-CG 4.46Å; E334-K420 WeakPolarHBondContact OE1-CE 3.36Å; E334-K420 IonicContact OE1-NZ 3.47Å; E334-K420 PolarHBondContact OE1-NZ 2.92Å; E334-K420 WeakPolarHBondContact OE2-CE 3.32Å; E334-K420 IonicContact OE2-NZ 3.35Å; V418-K420 HydrophobicContact CG1-CD 4.25Å
421	A	96.5	Very high	83.4	Confident	38 Å²	38	62.6 Å²	62.6	31%	0.314	30%	0.303	S	S	.	.	S	Bend	trans	-144.2	165.2	-179	0	0	0	0	0	111.1	A332 K419 M423	A332-A421 HydrophobicContact CB-CB 4.07Å; A332-A421 PolarHBondContact O-N 2.77Å; K419-A421 WeakPolarHBondContact CE-O 3.46Å; K419-A421 VanDerWaalsContact CG-O 3.26Å; K419-A421 WeakPolarHBondContact CG-O 3.46Å; A421-M423 PolarHBondContact O-N 3.44Å
422	P	94.7	Very high	80.5	Confident	89 Å²	89	70.4 Å²	70.4	58%	0.578	34%	0.344	S	S	*	.			trans	-56.9	136.3	168.9	-23.5	34.5	0	0	0	111	V302	V302-P422 HydrophobicContact CG2-CG 4.13Å
423	M	94.4	Very high	77.4	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.385	C	S	.	.			trans	-60.5	139.7	-178.2	-57.2	-48	-73.4	0	0	111.1	V297 A332 L333 K419 A421 W425 N426	V297-M423 HydrophobicContact CG1-CE 3.6Å; V297-M423 HydrophobicContact CG1-CG 3.85Å; V297-M423 HydrophobicContact CG1-SD 3.38Å; V297-M423 WeakPolarHBondContact CG1-SD 3.21Å; A332-M423 HydrophobicContact CB-SD 4.06Å; L333-M423 HydrophobicContact CB-CE 4.38Å; K419-M423 HydrophobicContact CD-SD 4.25Å; K419-M423 HydrophobicContact CG-SD 4.29Å; A421-M423 PolarHBondContact O-N 3.44Å; M423-W425 HydrophobicContact CB-CD2 3.97Å; M423-W425 HydrophobicContact CB-CE3 4.28Å; M423-W425 HydrophobicContact CB-CH2 4.38Å; M423-W425 HydrophobicContact CB-CZ2 4.02Å; M423-W425 HydrophobicContact CB-CZ3 4.45Å; M423-W425 HydrophobicContact CE-CE3 4.39Å; M423-W425 HydrophobicContact CE-CH2 3.07Å; M423-W425 HydrophobicContact CE-CZ2 3.63Å; M423-W425 HydrophobicContact CE-CZ3 3.5Å; M423-W425 VanDerWaalsContact CE-CZ3 3.5Å; M423-W425 HydrophobicContact CG-CH2 4.38Å; M423-W425 HydrophobicContact CG-CZ2 4Å; M423-W425 PolarHBondContact O-N 3.06Å; M423-N426 HydrophobicContact CB-CB 4.37Å; M423-N426 WeakPolarHBondContact O-CB 3.41Å; M423-N426 PolarHBondContact O-N 3.2Å
424	P	92.7	Very high	74.3	Confident	25 Å²	25	91.1 Å²	91.1	16%	0.162	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-60.5	-36	-174	21.6	-31.5	0	0	0	112.1	K328 S329 E330 N426 K427	K328-P424 WeakPolarHBondContact O-CG 3.43Å; S329-P424 WeakPolarHBondContact O-CD 3.5Å; E330-P424 HydrophobicContact CB-CG 4.3Å; E330-P424 HydrophobicContact CG-CG 4.29Å; P424-N426 VanDerWaalsContact C-N 3.26Å; P424-N426 PolarHBondContact O-N 3.32Å; P424-K427 WeakPolarHBondContact O-CB 3.42Å; P424-K427 WeakPolarHBondContact O-CG 3.19Å; P424-K427 PolarHBondContact O-N 3.44Å
425	W	90.8	Very high	71.2	Confident	71 Å²	71	96.4 Å²	96.4	27%	0.269	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-76.1	-7	177.6	64.5	83.7	0	0	0	114.6	V294 E298 L325 K328 M423	V294-W425 HydrophobicContact CG1-CZ2 3.9Å; E298-W425 PolarHBondContact OE1-NE1 2.69Å; L325-W425 HydrophobicContact CD1-CH2 4.41Å; K328-W425 HydrophobicContact CB-CH2 4.49Å; K328-W425 HydrophobicContact CB-CZ3 3.87Å; K328-W425 HydrophobicContact CD-CD2 4.45Å; K328-W425 HydrophobicContact CD-CE3 3.87Å; K328-W425 HydrophobicContact CD-CH2 3.92Å; K328-W425 HydrophobicContact CD-CZ3 3.59Å; K328-W425 HydrophobicContact CG-CE3 3.73Å; K328-W425 HydrophobicContact CG-CH2 4.23Å; K328-W425 HydrophobicContact CG-CZ3 3.46Å; K328-W425 VanDerWaalsContact CG-CZ3 3.46Å; K328-W425 VanDerWaalsContact O-CZ3 3.23Å; K328-W425 WeakPolarHBondContact O-CZ3 3.5Å; M423-W425 HydrophobicContact CB-CD2 3.97Å; M423-W425 HydrophobicContact CB-CE3 4.28Å; M423-W425 HydrophobicContact CB-CH2 4.38Å; M423-W425 HydrophobicContact CB-CZ2 4.02Å; M423-W425 HydrophobicContact CB-CZ3 4.45Å; M423-W425 HydrophobicContact CE-CE3 4.39Å; M423-W425 HydrophobicContact CE-CH2 3.07Å; M423-W425 HydrophobicContact CE-CZ2 3.63Å; M423-W425 HydrophobicContact CE-CZ3 3.5Å; M423-W425 VanDerWaalsContact CE-CZ3 3.5Å; M423-W425 HydrophobicContact CG-CH2 4.38Å; M423-W425 HydrophobicContact CG-CZ2 4Å; M423-W425 PolarHBondContact O-N 3.06Å
426	N	82.4	Confident	67.9	Low	64 Å²	64	100.3 Å²	100.3	34%	0.342	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-87.8	-7.2	174.2	-73	-2.6	0	0	0	112.9	M423 P424 R428	M423-N426 HydrophobicContact CB-CB 4.37Å; M423-N426 WeakPolarHBondContact O-CB 3.41Å; M423-N426 PolarHBondContact O-N 3.2Å; P424-N426 VanDerWaalsContact C-N 3.26Å; P424-N426 PolarHBondContact O-N 3.32Å; N426-R428 PolarHBondContact O-N 2.95Å
427	K	67.6	Low	64.8	Low	157 Å²	157	106.1 Å²	106.1	68%	0.683	53%	0.534	S	S	*	.			trans	-64.6	99.8	178.6	-68.8	177.9	-178.2	171.6	0	109.6	P424 H429	P424-K427 WeakPolarHBondContact O-CB 3.42Å; P424-K427 WeakPolarHBondContact O-CG 3.19Å; P424-K427 PolarHBondContact O-N 3.44Å; K427-H429 PolarHBondContact O-N 2.94Å
428	R	54.1	Low	61.6	Low	225 Å²	225	112.4 Å²	112.4	85%	0.849	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-63.9	117.7	163.2	-78.1	-179.9	174.1	175	0.1	107.6	N426	N426-R428 PolarHBondContact O-N 2.95Å
429	H	33.2	Very low	58.4	Low	177 Å²	177	120.4 Å²	120.4	82%	0.819	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.8	163	-69.6	-77.5	0	0	0	108	K427 K431	K427-H429 PolarHBondContact O-N 2.94Å; H429-K431 PolarHBondContact O-N 2.92Å
430	P	31.6	Very low	55.1	Low	119 Å²	119	126.9 Å²	126.9	77%	0.773	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.2	175.5	-20.8	30.3	0	0	0	108.2	L432	P430-L432 PolarHBondContact O-N 2.95Å
431	K	34.9	Very low	51.8	Low	201 Å²	201	125.8 Å²	125.8	87%	0.874	67%	0.668	S	S	*	*			trans	-59.2	109.8	163.6	-71.7	-175.3	178.9	-178.1	0	105.4	H429 R433	H429-K431 PolarHBondContact O-N 2.92Å; K431-R433 VanDerWaalsContact C-N 3.34Å; K431-R433 PolarHBondContact O-N 3.03Å
432	L	33.3	Very low	48.4	Very low	167 Å²	167	127.6 Å²	127.6	87%	0.874	69%	0.691	S	S	*	*			trans	-47	102.9	168.7	-85.6	153.1	0	0	0	107.2	P430 K434	P430-L432 PolarHBondContact O-N 2.95Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.45Å
433	R	32.5	Very low	45.1	Very low	240 Å²	240	128.5 Å²	128.5	91%	0.906	70%	0.699	S	S	*	*			trans	-63.7	102.4	165.4	-86.1	-176.8	162.1	-173.4	-4.1	104.5	K431 S435	K431-R433 VanDerWaalsContact C-N 3.34Å; K431-R433 PolarHBondContact O-N 3.03Å; R433-S435 VanDerWaalsContact C-N 3.32Å; R433-S435 PolarHBondContact O-N 3.26Å
434	K	35.1	Very low	42	Very low	203 Å²	203	136.7 Å²	136.7	88%	0.883	74%	0.742	S	S	*	*			trans	-55.5	104.4	161.8	-78.7	-176.5	175.7	-178.6	0	105.9	L432 A436	L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.45Å; K434-A436 PolarHBondContact O-N 3.35Å
435	S	31.3	Very low	38.9	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.8	168.7	47.9	0	0	0	0	107.6	R433	R433-S435 VanDerWaalsContact C-N 3.32Å; R433-S435 PolarHBondContact O-N 3.26Å
436	A	31.1	Very low	35.9	Very low	83 Å²	83	141.5 Å²	141.5	69%	0.686	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.1	139.5	169	0	0	0	0	0	109.1	K434 T438	K434-A436 PolarHBondContact O-N 3.35Å; A436-T438 PolarHBondContact O-N 3.45Å
437	P	32.8	Very low	33.2	Very low	125 Å²	125	145.9 Å²	145.9	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.6	122.7	-176.6	27.9	-30.2	0	0	0	110	Q439	P437-Q439 PolarHBondContact O-N 3.35Å
438	T	30.3	Very low	31.3	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.4	122.4	171.8	-40.5	0	0	0	0	109	A436 T440	A436-T438 PolarHBondContact O-N 3.45Å; T438-T440 PolarHBondContact O-N 2.94Å
439	Q	31.1	Very low	30.5	Very low	188 Å²	188	138.7 Å²	138.7	88%	0.879	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.1	121.7	169.5	-71.1	-178.4	-7.3	0	0	110.1	P437	P437-Q439 PolarHBondContact O-N 3.35Å
440	T	29.4	Very low	30.1	Very low	140 Å²	140	141.2 Å²	141.2	86%	0.859	82%	0.82	S	S	*	*			trans	-145.3	129.5	148.5	37.2	0	0	0	0	107.9	T438	T438-T440 PolarHBondContact O-N 2.94Å
441	G	27.9	Very low	29.8	Very low	85 Å²	85	143.4 Å²	143.4	88%	0.876	83%	0.825	S	S	*	*			trans	-91.7	162.6	-176.1	0	0	0	0	0	113.7
442	G	26.1	Very low	29.4	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	82%	0.822	S	S	*	*			trans	123.3	80.5	148.8	0	0	0	0	0	119
443	S	24.9	Very low	29.3	Very low	108 Å²	108	139 Å²	139	76%	0.755	82%	0.818	S	S	*	*			trans	67.6	110.1	132	-153.5	0	0	0	0	122.4
444	L	28.8	Very low	29	Very low	172 Å²	172	137 Å²	137	90%	0.901	82%	0.818	S	S	*	*				164.8	146	105.1	-88.9	170.1	0	0	0	110.9
445	A	27.1	Very low	28.7	Very low	99 Å²	99	130.9 Å²	130.9	82%	0.818	81%	0.813	S	S	*	*			trans	-84.2	158.3	-164.1	0	0	0	0	0	116.2
446	A	27.3	Very low	28.4	Very low	97 Å²	97	131 Å²	131	80%	0.802	81%	0.813	S	S	*	*			trans	179.1	110.9	131.3	0	0	0	0	0	113.3
447	D	26.2	Very low	28.2	Very low	156 Å²	156	131.4 Å²	131.4	83%	0.834	82%	0.817	S	S	*	*			trans	40.1	122	132.1	-76.9	-21.3	0	0	0	126.4
448	V	29.1	Very low	27.9	Very low	125 Å²	125	133.4 Å²	133.4	76%	0.758	82%	0.816	S	S	*	*				90	144.2	122	177.1	0	0	0	0	119.3
449	P	35.5	Very low	27.8	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	81%	0.813	S	S	*	*				-138.7	178.9	-61.5	46.1	-26.7	0	0	0	114.9
450	R	25	Very low	27.4	Very low	230 Å²	230	132.8 Å²	132.8	87%	0.868	81%	0.814	S	S	*	*			trans	47.1	128.3	144.4	-109.6	178.3	178.9	176.6	-2.2	122
451	L	26	Very low	27.4	Very low	165 Å²	165	135.1 Å²	135.1	86%	0.864	82%	0.815	S	S	*	*				179.7	120.9	107.9	-93	156.6	0	0	0	112
452	L	26.6	Very low	27.4	Very low	157 Å²	157	139 Å²	139	82%	0.822	82%	0.816	S	S	*	*			trans	-102.9	154.4	155.3	-77.8	160.6	0	0	0	107.3
453	P	31.4	Very low	27.4	Very low	120 Å²	120	138.8 Å²	138.8	78%	0.779	81%	0.813	S	S	*	*			trans	-110.6	118.2	141.2	22.9	-7.1	0	0	0	108.4
454	E	26.6	Very low	27.5	Very low	197 Å²	197	137 Å²	137	92%	0.921	81%	0.812	S	S	*	*				65.8	125.7	72.1	-84.7	-164.8	-179.7	0	0	117.1
455	G	27.6	Very low	28.2	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	81%	0.813	S	S	*	*			trans	108.5	123.8	156	0	0	0	0	0	114.6
456	S	25.8	Very low	28.3	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	81%	0.814	S	S	*	*			cis	-179.8	127.8	-1.4	36.1	0	0	0	0	105.4
457	A	26.8	Very low	28.2	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	82%	0.818	S	S	*	*				44.7	128.2	107.8	0	0	0	0	0	114.7
458	E	27.3	Very low	28.2	Very low	166 Å²	166	139 Å²	139	78%	0.776	82%	0.824	S	S	*	*				-164.3	135.7	60.1	-83.9	173.1	165.8	0	0	110
459	E	26.4	Very low	28	Very low	164 Å²	164	136.5 Å²	136.5	77%	0.766	82%	0.824	S	S	*	*				81.2	125.3	96.7	-62.2	-170.1	165	0	0	116.6
460	T	23.9	Very low	27.6	Very low	145 Å²	145	139.7 Å²	139.7	89%	0.89	84%	0.835	S	S	*	*			trans	-139.8	122.9	153.9	47.2	0	0	0	0	109.2
461	E	28	Very low	27.6	Very low	188 Å²	188	131.9 Å²	131.9	88%	0.879	83%	0.826	S	S	*	*			trans	-74	161.1	179	-70.6	-177.1	135	0	0	114.3
462	D	28.2	Very low	27.6	Very low	168 Å²	168	133.6 Å²	133.6	90%	0.898	83%	0.83	S	S	*	*			trans	-85	163.5	176.6	-172.9	19.1	0	0	0	112.4
463	G	27.6	Very low	27.5	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	83%	0.828	S	S	*	*			trans	156.1	92	165	0	0	0	0	0	117.2
464	G	26.6	Very low	27.3	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	83%	0.827	S	S	*	*			trans	-78.6	173.4	157.6	0	0	0	0	0	112.9
465	P	43.9	Very low	27.2	Very low	142 Å²	142	131.5 Å²	131.5	92%	0.922	82%	0.819	S	S	*	*				-146.9	176.1	81.4	34.4	-14	0	0	0	112.5
466	G	27.6	Very low	27.1	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	82%	0.821	S	S	*	*			cis	152	142.2	10.7	0	0	0	0	0	107.7
467	G	25.3	Very low	26.9	Very low	86 Å²	86	131 Å²	131	89%	0.887	82%	0.823	S	S	*	*			trans	175.6	124.5	175.1	0	0	0	0	0	115.3
468	R	27.9	Very low	26.8	Very low	257 Å²	257	132.4 Å²	132.4	97%	0.97	82%	0.822	S	S	*	*			trans	-84.9	165.7	-162.5	-70.8	167.6	170.8	175.3	-3.9	116.6
469	G	24.6	Very low	27.3	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	82%	0.821	S	S	*	*			trans	170.7	115.6	149.9	0	0	0	0	0	114.7
470	D	26.8	Very low	27.2	Very low	172 Å²	172	129.5 Å²	129.5	92%	0.92	82%	0.822	S	S	*	*			trans	-60.1	168.1	-177.7	-48.7	-70.2	0	0	0	114.1
471	G	24.7	Very low	27.3	Very low	67 Å²	67	127.1 Å²	127.1	69%	0.691	82%	0.818	S	S	*	*			cis	136.5	132.2	19.6	0	0	0	0	0	107.6
472	E	25.3	Very low	27.2	Very low	201 Å²	201	126.9 Å²	126.9	94%	0.939	82%	0.816	S	S	*	*			trans	164.2	137.5	141.4	-90.4	179.9	178	0	0	114.9
473	T	24.2	Very low	27	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	82%	0.819	S	S	*	*			trans	-92.5	156	-174.9	28.1	0	0	0	0	112.5
474	E	27.3	Very low	26.9	Very low	161 Å²	161	130 Å²	130	75%	0.752	82%	0.824	S	S	*	*				156.1	155.1	104.9	-81.2	-167.4	175.2	0	0	106.2
475	N	24.6	Very low	26.9	Very low	142 Å²	142	131.8 Å²	131.8	76%	0.759	83%	0.831	S	S	*	*			cis	-162.3	153.3	29.1	-124.7	-34.2	0	0	0	110.7
476	A	25.6	Very low	26	Very low	97 Å²	97	129 Å²	129	80%	0.802	83%	0.828	S	S	*	*			trans	-110.1	161.2	175.2	0	0	0	0	0	111.3
477	G	23	Very low	25.9	Very low	81 Å²	81	134.8 Å²	134.8	84%	0.835	83%	0.83	S	S	*	*			trans	-163.7	99.5	171.1	0	0	0	0	0	114.1
478	T	24.7	Very low	26.1	Very low	122 Å²	122	139.9 Å²	139.9	75%	0.748	83%	0.831	S	S	*	*			trans	-85.3	171.7	171.2	-9.7	0	0	0	0	111.4
479	P	37.1	Very low	26.1	Very low	119 Å²	119	135.3 Å²	135.3	77%	0.773	83%	0.826	S	S	*	*				-145.3	141.9	75.3	23.6	1.3	0	0	0	115.1
480	L	24.8	Very low	26.3	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	83%	0.83	S	S	*	*				81.2	116.8	74.1	-81.1	164.6	0	0	0	117.5
481	A	25.7	Very low	26.5	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	83%	0.827	S	S	*	*			trans	173	96.4	131.4	0	0	0	0	0	109.8
482	Q	24.9	Very low	26.9	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	84%	0.836	S	S	*	*				60.2	110	98.5	-82.7	-176.1	-5.9	0	0	117
483	E	25	Very low	27.5	Very low	206 Å²	206	131.2 Å²	131.2	96%	0.963	82%	0.818	S	S	*	*				-165.9	154.5	112.2	-106.8	-177.7	178.2	0	0	111.8
484	A	25.4	Very low	28.3	Very low	99 Å²	99	131 Å²	131	82%	0.818	82%	0.818	S	S	*	*			trans	-100.9	154.3	-154.8	0	0	0	0	0	114.8
485	A	25.8	Very low	28.8	Very low	108 Å²	108	128.8 Å²	128.8	89%	0.893	82%	0.818	S	S	*	*				158.7	135.4	121.9	0	0	0	0	0	112.4
486	G	25.6	Very low	29.5	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	82%	0.82	S	S	*	*			trans	118.7	82.1	159.7	0	0	0	0	0	116.5
487	K	26	Very low	30.1	Very low	202 Å²	202	128.6 Å²	128.6	88%	0.878	82%	0.819	S	S	*	*			trans	-84.7	131.7	163.5	-82.6	-179.7	174.1	179.9	0	110.1
488	Q	28.4	Very low	30.8	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	82%	0.822	S	S	*	*			trans	-135.5	141.4	146	-88.3	-172.6	-8.7	0	0	109.1
489	D	27.9	Very low	31.7	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	82%	0.823	S	S	*	*			trans	-67.2	131	-159	-63.6	-57.8	0	0	0	115.1
490	A	28.7	Very low	31.6	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	83%	0.829	S	S	*	*			trans	-92.2	114.5	172.3	0	0	0	0	0	110.5
491	V	31.5	Very low	32.2	Very low	142 Å²	142	142.1 Å²	142.1	86%	0.861	83%	0.829	S	S	*	*			trans	-69.2	123.9	165.2	174.7	0	0	0	0	108.5	G493	V491-G493 PolarHBondContact O-N 3.42Å; V491-G493 VanDerWaalsContact O-N 3.16Å
492	C	33.2	Very low	33.2	Very low	130 Å²	130	142 Å²	142	88%	0.878	81%	0.814	S	S	*	*			trans	-70.8	103.9	-178.2	-149.3	0	0	0	0	110.4
493	G	38.8	Very low	33.7	Very low	53 Å²	53	142.7 Å²	142.7	55%	0.546	82%	0.815	S	S	.	*	P	Polyproline II helix	trans	-80.4	155.4	170	0	0	0	0	0	111.9	V491	V491-G493 PolarHBondContact O-N 3.42Å; V491-G493 VanDerWaalsContact O-N 3.16Å
494	P	39.6	Very low	34.6	Very low	122 Å²	122	135.1 Å²	135.1	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.4	147.1	175.7	25.6	-32.5	0	0	0	110.4
495	P	38.6	Very low	35.7	Very low	115 Å²	115	139 Å²	139	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-58.5	140.5	-176.6	23.5	-32.2	0	0	0	110.1	S497	P495-S497 PolarHBondContact O-N 3.32Å
496	P	38.5	Very low	37.1	Very low	123 Å²	123	144 Å²	144	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.1	179.2	22	-31.5	0	0	0	109.1	K498	P496-K498 PolarHBondContact O-N 3.49Å; P496-K498 VanDerWaalsContact O-N 3.1Å
497	S	39.2	Very low	39	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-50.3	121	178.8	57.9	0	0	0	0	109.2	P495 K499	P495-S497 PolarHBondContact O-N 3.32Å; S497-K499 PolarHBondContact O-N 3.26Å
498	K	37.8	Very low	41	Very low	208 Å²	208	137.7 Å²	137.7	90%	0.904	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-52.9	117.1	175.5	-82.1	179.1	176.3	174.8	0	108.5	P496 Q500	P496-K498 PolarHBondContact O-N 3.49Å; P496-K498 VanDerWaalsContact O-N 3.1Å; K498-Q500 PolarHBondContact O-N 2.91Å
499	K	42.8	Very low	43.1	Very low	178 Å²	178	131.1 Å²	131.1	77%	0.774	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-52.6	124.5	175.6	-62.8	-174.9	178	-168.2	0	108.7	S497 K501	S497-K499 PolarHBondContact O-N 3.26Å; K499-K501 PolarHBondContact O-N 3.07Å; K499-K501 VanDerWaalsContact O-N 3.08Å
500	Q	35.8	Very low	45.7	Very low	189 Å²	189	125.4 Å²	125.4	88%	0.883	69%	0.685	S	S	*	*			trans	-61.6	113.2	169.1	-101.1	-179.6	-43.8	0	0	107.6	K498 L502	K498-Q500 PolarHBondContact O-N 2.91Å; Q500-L502 PolarHBondContact O-N 2.8Å
501	K	36.8	Very low	48.4	Very low	180 Å²	180	122.1 Å²	122.1	78%	0.783	65%	0.654	S	S	*	*			trans	-71.3	112.1	170.3	-73.1	-178.1	177.1	179.9	0	107.2	K499 F503	K499-K501 PolarHBondContact O-N 3.07Å; K499-K501 VanDerWaalsContact O-N 3.08Å; K501-F503 PolarHBondContact O-N 2.93Å
502	L	47.1	Very low	51.2	Low	93 Å²	93	116.8 Å²	116.8	49%	0.487	62%	0.619	S	S	.	*			trans	-60.2	105.3	161.3	-87.9	91.8	0	0	0	107	Q500 E566 K569	Q500-L502 PolarHBondContact O-N 2.8Å; L502-E566 WeakPolarHBondContact CD1-O 3.28Å; L502-K569 HydrophobicContact CD2-CB 3.93Å
503	F	34.5	Very low	53.9	Low	198 Å²	198	111 Å²	111	87%	0.868	58%	0.58	S	S	*	*			trans	-71.8	125.7	174.5	-107.6	-93.3	0	0	0	109	K501	K501-F503 PolarHBondContact O-N 2.93Å
504	G	45.6	Very low	56.3	Low	47 Å²	47	112.8 Å²	112.8	49%	0.485	58%	0.58	S	S	.	*	S	Bend	trans	156.1	167.2	175	0	0	0	0	0	114	K506	G504-K506 PolarHBondContact O-N 3.24Å
505	Y	48.6	Very low	58.5	Low	182 Å²	182	111 Å²	111	71%	0.714	56%	0.561	S	S	*	*			trans	-42.2	132.6	176	-62.1	-88.5	0	0	0	111.9	E507	Y505-E507 VanDerWaalsContact C-N 3.3Å; Y505-E507 PolarHBondContact O-N 3.34Å
506	K	54.1	Low	60.8	Low	211 Å²	211	112.6 Å²	112.6	92%	0.917	56%	0.563	S	S	*	*			trans	-71.8	88.3	173.6	-73.8	-175.7	177.4	-179.1	0	108.4	G504	G504-K506 PolarHBondContact O-N 3.24Å
507	E	66.2	Low	63.2	Low	57 Å²	57	107.7 Å²	107.7	27%	0.266	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-64.9	145	165	-64.8	-63.8	159.5	0	0	109	Y212 Y505	Y212-E507 PolarHBondContact OH-OE1 3.36Å; Y505-E507 VanDerWaalsContact C-N 3.3Å; Y505-E507 PolarHBondContact O-N 3.34Å
508	D	66.6	Low	65.5	Low	97 Å²	97	107.2 Å²	107.2	52%	0.519	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-64.4	137.7	173.9	-81.8	-29.9	0	0	0	110.5	R541	D508-R541 HydrophobicContact CB-CB 4.17Å; D508-R541 WeakPolarHBondContact CB-O 3.47Å
509	P	73.3	Confident	67.9	Low	55 Å²	55	98.3 Å²	98.3	36%	0.357	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-69.9	143.5	-175.3	24.8	-30.1	0	0	0	112	V511 R541 H543	P509-V511 HydrophobicContact CB-CG2 4.35Å; P509-V511 HydrophobicContact CG-CG2 4.35Å; P509-V511 PolarHBondContact O-N 2.91Å; P509-R541 CarbonylContact O-C 3.51Å; P509-R541 WeakPolarHBondContact O-CA 3.41Å; P509-H543 WeakPolarHBondContact CG-CD2 3.38Å; P509-H543 WeakPolarHBondContact CG-NE2 3.28Å
510	F	82.8	Confident	70.1	Confident	42 Å²	42	89.9 Å²	89.9	18%	0.184	45%	0.451	C	S	.	.			trans	-80.3	110	169.7	-62.9	-78.5	0	0	0	109.4	L539 R541 V570 T573	F510-L539 HydrophobicContact CB-CD1 4.47Å; F510-L539 HydrophobicContact CD1-CD1 3.66Å; F510-L539 HydrophobicContact CD1-CD2 4.47Å; F510-L539 HydrophobicContact CE1-CD1 4.48Å; F510-R541 HydrophobicContact CD1-CG 4.43Å; F510-R541 HydrophobicContact CE1-CG 4.25Å; F510-V570 HydrophobicContact CD2-CB 4.24Å; F510-V570 HydrophobicContact CD2-CG1 4.11Å; F510-V570 HydrophobicContact CE2-CB 3.8Å; F510-V570 HydrophobicContact CE2-CG1 3.48Å; F510-V570 VanDerWaalsContact CE2-CG1 3.48Å; F510-V570 HydrophobicContact CZ-CG1 4.06Å; F510-T573 HydrophobicContact CD1-CG2 3.56Å; F510-T573 HydrophobicContact CD2-CG2 4.27Å; F510-T573 HydrophobicContact CE1-CG2 3.45Å; F510-T573 VanDerWaalsContact CE1-CG2 3.45Å; F510-T573 HydrophobicContact CE2-CG2 4.19Å; F510-T573 HydrophobicContact CG-CG2 3.98Å; F510-T573 HydrophobicContact CZ-CG2 3.8Å
511	V	85.6	Confident	72.7	Confident	31 Å²	31	85.9 Å²	85.9	19%	0.188	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.7	-175.9	-169.9	0	0	0	0	109.2	P509 L539 T540 H543	P509-V511 HydrophobicContact CB-CG2 4.35Å; P509-V511 HydrophobicContact CG-CG2 4.35Å; P509-V511 PolarHBondContact O-N 2.91Å; V511-L539 CarbonylContact O-C 3.53Å; V511-L539 WeakPolarHBondContact O-CA 3.33Å; V511-L539 WeakPolarHBondContact O-CB 3.43Å; V511-T540 HydrophobicContact CB-CG2 4.02Å; V511-T540 PolarHBondContact N-O 3.22Å; V511-T540 PolarHBondContact O-N 2.93Å; V511-H543 WeakPolarHBondContact CG2-CE1 3.47Å; V511-H543 WeakPolarHBondContact CG2-ND1 3.46Å
512	F	90.5	Very high	75.2	Confident	31 Å²	31	79.1 Å²	79.1	14%	0.136	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.8	174.7	-74	-80.7	0	0	0	111.3	R536 L539 V553 R558 L561 L562	F512-R536 VanDerWaalsContact CD1-O 3.29Å; F512-R536 WeakPolarHBondContact CD1-O 3.39Å; F512-L539 HydrophobicContact CD1-CB 3.88Å; F512-L539 HydrophobicContact CE1-CB 4Å; F512-L539 HydrophobicContact CE1-CD2 3.84Å; F512-L539 HydrophobicContact CG-CB 4.32Å; F512-L539 HydrophobicContact CZ-CD2 3.88Å; F512-V553 HydrophobicContact CE1-CG2 3.58Å; F512-V553 HydrophobicContact CZ-CG2 3.88Å; F512-R558 HydrophobicContact CD1-CG 4.04Å; F512-R558 HydrophobicContact CE1-CB 3.81Å; F512-R558 HydrophobicContact CE1-CG 3.56Å; F512-R558 HydrophobicContact CE2-CG 4.19Å; F512-R558 HydrophobicContact CZ-CB 3.8Å; F512-R558 HydrophobicContact CZ-CG 3.66Å; F512-L561 HydrophobicContact CE2-CB 3.88Å; F512-L561 HydrophobicContact CE2-CD1 4.26Å; F512-L561 HydrophobicContact CZ-CB 4.15Å; F512-L561 HydrophobicContact CZ-CD1 3.83Å; F512-L562 HydrophobicContact CD2-CD2 3.54Å; F512-L562 HydrophobicContact CD2-CG 3.95Å; F512-L562 HydrophobicContact CE2-CD2 4.05Å; F512-L562 HydrophobicContact CE2-CG 4.03Å; F512-L562 HydrophobicContact CG-CD2 4.39Å
513	L	89.1	Confident	77.3	Confident	9 Å²	9	74.7 Å²	74.7	5%	0.047	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-80	146.6	173.7	-56.6	-174	0	0	0	110.5	D517 F520 V538 T540 K547 L550	L513-D517 HydrophobicContact CB-CB 4.28Å; L513-F520 HydrophobicContact CB-CE2 3.79Å; L513-F520 HydrophobicContact CB-CZ 4.08Å; L513-F520 HydrophobicContact CD1-CE2 4.1Å; L513-F520 HydrophobicContact CD1-CZ 3.92Å; L513-V538 HydrophobicContact CD1-CB 4.44Å; L513-V538 HydrophobicContact CD1-CG1 3.87Å; L513-V538 HydrophobicContact CG-CG1 4.43Å; L513-V538 PolarHBondContact N-O 3.26Å; L513-T540 HydrophobicContact CD2-CG2 4.23Å; L513-K547 HydrophobicContact CD2-CD 4.18Å; L513-L550 HydrophobicContact CD1-CD2 4.05Å
514	T	88.7	Confident	80.1	Confident	90 Å²	90	67.7 Å²	67.7	55%	0.552	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-78.8	159	170.5	56.7	0	0	0	0	110.3	D516 D517 F520	T514-D516 PolarHBondContact O-N 3.14Å; T514-D517 WeakPolarHBondContact O-CB 3.48Å; T514-D517 PolarHBondContact O-N 3.49Å; T514-D517 VanDerWaalsContact O-N 3.14Å; T514-D517 PolarHBondContact OG1-N 3.37Å; T514-F520 VanDerWaalsContact O-CE2 3.31Å; T514-F520 WeakPolarHBondContact O-CE2 3.35Å
515	E	86.6	Confident	82.3	Confident	83 Å²	83	70.4 Å²	70.4	39%	0.388	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.5	179.4	-68.3	-177.4	149.7	0	0	113	D517 K535 R536	E515-D517 VanDerWaalsContact C-N 3.32Å; E515-K535 HydrophobicContact CG-CB 4.38Å; E515-R536 HydrophobicContact CG-CG 3.64Å; E515-R536 WeakPolarHBondContact OE1-CG 3.22Å; E515-R536 IonicContact OE1-CZ 3.21Å; E515-R536 IonicContact OE1-NE 3.83Å; E515-R536 PolarHBondContact OE1-NE 3.17Å; E515-R536 IonicContact OE1-NH2 2.66Å; E515-R536 PolarHBondContact OE1-NH2 3Å; E515-R536 IonicContact OE2-CZ 3.61Å; E515-R536 IonicContact OE2-NE 3.12Å; E515-R536 PolarHBondContact OE2-NE 2.89Å; E515-R536 IonicContact OE2-NH2 3.87Å; E515-R536 PolarHBondContact OE2-NH2 2.93Å
516	D	87	Confident	84.4	Confident	149 Å²	149	62.8 Å²	62.8	80%	0.797	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	6.5	179.6	-51.9	-52.9	0	0	0	113.2	T514	T514-D516 PolarHBondContact O-N 3.14Å
517	D	88.3	Confident	86.3	Confident	20 Å²	20	52.7 Å²	52.7	11%	0.107	30%	0.3	C	S	.	.			trans	-59.7	127.3	179.6	-166.7	-69.7	0	0	0	109.9	L513 T514 E515 V519 F520 K547	L513-D517 HydrophobicContact CB-CB 4.28Å; T514-D517 WeakPolarHBondContact O-CB 3.48Å; T514-D517 PolarHBondContact O-N 3.49Å; T514-D517 VanDerWaalsContact O-N 3.14Å; T514-D517 PolarHBondContact OG1-N 3.37Å; E515-D517 VanDerWaalsContact C-N 3.32Å; D517-V519 PolarHBondContact O-N 3Å; D517-V519 VanDerWaalsContact OD1-CB 3.3Å; D517-V519 WeakPolarHBondContact OD1-CB 3.25Å; D517-V519 VanDerWaalsContact OD1-CG2 3.25Å; D517-V519 WeakPolarHBondContact OD1-CG2 3.48Å; D517-V519 PolarHBondContact OD1-N 3.17Å; D517-V519 VanDerWaalsContact OD1-N 3.17Å; D517-F520 HydrophobicContact CB-CD2 3.92Å; D517-F520 HydrophobicContact CB-CE2 4.12Å; D517-F520 PolarHBondContact O-N 3.21Å; D517-K547 IonicContact OD1-NZ 2.78Å; D517-K547 PolarHBondContact OD1-NZ 2.99Å; D517-K547 IonicContact OD2-NZ 2.78Å; D517-K547 PolarHBondContact OD2-NZ 3.22Å
518	P	86.9	Confident	87.7	Confident	101 Å²	101	53.7 Å²	53.7	66%	0.656	31%	0.307	S	S	*	.	H	α-helix	trans	-62.1	-19.4	-171.5	24.2	-35.5	0	0	0	113.3	F520 T521	P518-F520 PolarHBondContact O-N 3.4Å; P518-T521 PolarHBondContact O-N 3.46Å
519	V	88.2	Confident	88.9	Confident	21 Å²	21	49.1 Å²	49.1	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-39	173.3	171.6	0	0	0	0	111	D517 T521 S522 I523 K547 L550 F591	D517-V519 PolarHBondContact O-N 3Å; D517-V519 VanDerWaalsContact OD1-CB 3.3Å; D517-V519 WeakPolarHBondContact OD1-CB 3.25Å; D517-V519 VanDerWaalsContact OD1-CG2 3.25Å; D517-V519 WeakPolarHBondContact OD1-CG2 3.48Å; D517-V519 PolarHBondContact OD1-N 3.17Å; D517-V519 VanDerWaalsContact OD1-N 3.17Å; V519-T521 PolarHBondContact O-N 2.73Å; V519-S522 PolarHBondContact O-N 3.35Å; V519-S522 PolarHBondContact O-OG 3.02Å; V519-I523 HydrophobicContact CG1-CD1 3.56Å; V519-I523 HydrophobicContact CG1-CG1 4.33Å; V519-I523 WeakPolarHBondContact O-CG1 3.48Å; V519-I523 PolarHBondContact O-N 2.68Å; V519-K547 HydrophobicContact CG2-CD 4.2Å; V519-L550 HydrophobicContact CG1-CD1 3.94Å; V519-F591 HydrophobicContact CB-CE2 4.34Å; V519-F591 HydrophobicContact CG1-CD2 3.79Å; V519-F591 HydrophobicContact CG1-CE2 3.39Å; V519-F591 HydrophobicContact CG1-CZ 3.99Å; V519-F591 HydrophobicContact CG2-CE2 4.05Å; V519-F591 HydrophobicContact CG2-CZ 4.45Å
520	F	90.3	Very high	89.8	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-31.9	-178.1	-69.4	-60.2	0	0	0	113.2	L513 T514 D517 P518 S522 I523 Q524 F533 K535 V538	L513-F520 HydrophobicContact CB-CE2 3.79Å; L513-F520 HydrophobicContact CB-CZ 4.08Å; L513-F520 HydrophobicContact CD1-CE2 4.1Å; L513-F520 HydrophobicContact CD1-CZ 3.92Å; T514-F520 VanDerWaalsContact O-CE2 3.31Å; T514-F520 WeakPolarHBondContact O-CE2 3.35Å; D517-F520 HydrophobicContact CB-CD2 3.92Å; D517-F520 HydrophobicContact CB-CE2 4.12Å; D517-F520 PolarHBondContact O-N 3.21Å; P518-F520 PolarHBondContact O-N 3.4Å; F520-S522 VanDerWaalsContact C-N 3.33Å; F520-S522 PolarHBondContact O-N 2.91Å; F520-I523 PolarHBondContact O-N 2.8Å; F520-Q524 WeakPolarHBondContact O-CA 3.5Å; F520-Q524 WeakPolarHBondContact O-CB 3.31Å; F520-Q524 PolarHBondContact O-N 3.34Å; F520-F533 HydrophobicContact CD1-CE1 4.47Å; F520-F533 AromaticContact CE1-CE1 3.99Å; F520-F533 HydrophobicContact CE1-CE1 3.99Å; F520-K535 HydrophobicContact CB-CD 4.31Å; F520-K535 HydrophobicContact CD1-CD 4.37Å; F520-K535 HydrophobicContact CD1-CG 4.1Å; F520-K535 HydrophobicContact CD2-CB 4.33Å; F520-K535 HydrophobicContact CD2-CD 4.11Å; F520-K535 HydrophobicContact CD2-CG 4.34Å; F520-K535 HydrophobicContact CE1-CB 4.21Å; F520-K535 HydrophobicContact CE1-CG 4.13Å; F520-K535 HydrophobicContact CE2-CB 3.93Å; F520-K535 HydrophobicContact CE2-CG 4.36Å; F520-K535 HydrophobicContact CG-CD 4.02Å; F520-K535 HydrophobicContact CG-CG 4.21Å; F520-K535 HydrophobicContact CZ-CB 3.85Å; F520-K535 HydrophobicContact CZ-CG 4.24Å; F520-K535 WeakPolarHBondContact CZ-O 3.42Å; F520-V538 HydrophobicContact CE1-CB 4.37Å; F520-V538 HydrophobicContact CE1-CG2 4.07Å; F520-V538 HydrophobicContact CZ-CB 3.93Å; F520-V538 HydrophobicContact CZ-CG1 4.36Å; F520-V538 HydrophobicContact CZ-CG2 4.03Å
521	T	89.2	Confident	90.1	Very high	105 Å²	105	49.8 Å²	49.8	64%	0.644	29%	0.292	S	S	*	.	H	α-helix	trans	-59.3	-46.5	179.1	-51.7	0	0	0	0	111.2	P518 V519 S525	P518-T521 PolarHBondContact O-N 3.46Å; V519-T521 PolarHBondContact O-N 2.73Å; T521-S525 WeakPolarHBondContact O-CB 3.45Å; T521-S525 PolarHBondContact O-N 2.77Å
522	S	89.6	Confident	90.3	Very high	39 Å²	39	54.2 Å²	54.2	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-44.7	178.2	67.9	0	0	0	0	112.3	V519 F520 F526	V519-S522 PolarHBondContact O-N 3.35Å; V519-S522 PolarHBondContact O-OG 3.02Å; F520-S522 VanDerWaalsContact C-N 3.33Å; F520-S522 PolarHBondContact O-N 2.91Å; S522-F526 WeakPolarHBondContact O-CB 3.28Å; S522-F526 PolarHBondContact O-N 3.4Å
523	I	92.3	Very high	90.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-44.7	-179.3	-64.2	176.4	0	0	0	110.7	V519 F520 F526 Y527 L529 L550 W578 F591	V519-I523 HydrophobicContact CG1-CD1 3.56Å; V519-I523 HydrophobicContact CG1-CG1 4.33Å; V519-I523 WeakPolarHBondContact O-CG1 3.48Å; V519-I523 PolarHBondContact O-N 2.68Å; F520-I523 PolarHBondContact O-N 2.8Å; I523-F526 PolarHBondContact O-N 3.16Å; I523-Y527 HydrophobicContact CG2-CD2 3.73Å; I523-Y527 HydrophobicContact CG2-CE2 4.28Å; I523-Y527 WeakPolarHBondContact O-CD2 3.42Å; I523-Y527 PolarHBondContact O-N 2.91Å; I523-L529 HydrophobicContact CG2-CD1 3.68Å; I523-L529 HydrophobicContact CG2-CG 4.39Å; I523-L550 HydrophobicContact CD1-CD1 3.99Å; I523-W578 HydrophobicContact CD1-CD2 4.36Å; I523-W578 HydrophobicContact CG2-CH2 4.37Å; I523-W578 HydrophobicContact CG2-CZ2 3.74Å; I523-F591 HydrophobicContact CD1-CB 4.04Å; I523-F591 HydrophobicContact CD1-CD2 3.99Å; I523-F591 HydrophobicContact CD1-CG 4.08Å; I523-F591 HydrophobicContact CG1-CB 4.18Å; I523-F591 HydrophobicContact CG1-CD2 4.28Å
524	Q	92.6	Very high	90.4	Very high	50 Å²	50	54.4 Å²	54.4	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-51	177.6	177.3	66.4	52.7	0	0	110.8	F520 F526 D528 L529	F520-Q524 WeakPolarHBondContact O-CA 3.5Å; F520-Q524 WeakPolarHBondContact O-CB 3.31Å; F520-Q524 PolarHBondContact O-N 3.34Å; Q524-F526 VanDerWaalsContact C-N 3.29Å; Q524-F526 PolarHBondContact O-N 3.31Å; Q524-D528 WeakPolarHBondContact O-CA 3.38Å; Q524-D528 PolarHBondContact O-N 3.28Å; Q524-L529 PolarHBondContact NE2-O 3.27Å
525	S	91.9	Very high	90.6	Very high	105 Å²	105	52.9 Å²	52.9	73%	0.734	30%	0.304	S	S	*	.	H	α-helix	trans	-65.7	-33.1	179.4	-176.8	0	0	0	0	112.5	T521	T521-S525 WeakPolarHBondContact O-CB 3.45Å; T521-S525 PolarHBondContact O-N 2.77Å
526	F	93.3	Very high	90.8	Very high	21 Å²	21	54.9 Å²	54.9	9%	0.092	31%	0.308	C	S	.	.	H	α-helix	trans	-82.3	-41.2	-174.8	-175	-93.7	0	0	0	113.3	S522 I523 Q524 F587 C589 R608	S522-F526 WeakPolarHBondContact O-CB 3.28Å; S522-F526 PolarHBondContact O-N 3.4Å; I523-F526 PolarHBondContact O-N 3.16Å; Q524-F526 VanDerWaalsContact C-N 3.29Å; Q524-F526 PolarHBondContact O-N 3.31Å; F526-F587 VanDerWaalsContact CE2-O 3.27Å; F526-F587 WeakPolarHBondContact CE2-O 3.48Å; F526-C589 HydrophobicContact CB-CB 3.64Å; F526-C589 HydrophobicContact CD1-CB 3.76Å; F526-C589 HydrophobicContact CD2-CB 3.57Å; F526-C589 HydrophobicContact CE1-CB 4.24Å; F526-C589 HydrophobicContact CE2-CB 4.06Å; F526-C589 HydrophobicContact CG-CB 3.37Å; F526-C589 HydrophobicContact CZ-CB 4.36Å; F526-R608 WeakPolarHBondContact O-CD 3.41Å
527	Y	94	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-98.2	-7.4	-179	-67.6	-71.1	0	0	0	113.7	I523 W578 F591 L593 S607 S646	I523-Y527 HydrophobicContact CG2-CD2 3.73Å; I523-Y527 HydrophobicContact CG2-CE2 4.28Å; I523-Y527 WeakPolarHBondContact O-CD2 3.42Å; I523-Y527 PolarHBondContact O-N 2.91Å; Y527-W578 AromaticContact CE2-NE1 3.73Å; Y527-F591 PolarHBondContact OH-O 3.44Å; Y527-F591 VanDerWaalsContact OH-O 3.1Å; Y527-L593 HydrophobicContact CD1-CD1 4.38Å; Y527-L593 HydrophobicContact CE1-CD1 3.72Å; Y527-L593 HydrophobicContact CE1-CD2 4.09Å; Y527-L593 HydrophobicContact CE1-CG 3.71Å; Y527-L593 PolarHBondContact OH-N 3.23Å; Y527-S607 PolarHBondContact O-N 3Å; Y527-S607 VanDerWaalsContact O-N 3.11Å; Y527-S607 PolarHBondContact O-OG 3.17Å; Y527-S646 WeakPolarHBondContact OH-CB 3.41Å; Y527-S646 PolarHBondContact OH-OG 2.9Å
528	D	94.2	Very high	91.4	Very high	77 Å²	77	47.5 Å²	47.5	41%	0.412	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	63.5	-170.4	-171.3	32	0	0	0	110.6	Q524 R606 S607	Q524-D528 WeakPolarHBondContact O-CA 3.38Å; Q524-D528 PolarHBondContact O-N 3.28Å; D528-R606 HydrophobicContact CB-CB 4.33Å; D528-R606 VanDerWaalsContact O-CB 3.24Å; D528-R606 WeakPolarHBondContact O-CB 3.22Å; D528-R606 WeakPolarHBondContact O-CG 3.49Å; D528-R606 PolarHBondContact O-N 3.32Å; D528-R606 VanDerWaalsContact O-N 3.11Å; D528-R606 WeakPolarHBondContact OD2-CB 3.44Å; D528-S607 WeakPolarHBondContact CB-OG 3.39Å; D528-S607 PolarHBondContact N-OG 2.92Å
529	L	92.8	Very high	91.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-67.2	145.4	-177.6	-64.3	179.5	0	0	0	111.1	I523 Q524 F533 W578 Y604 I605	I523-L529 HydrophobicContact CG2-CD1 3.68Å; I523-L529 HydrophobicContact CG2-CG 4.39Å; Q524-L529 PolarHBondContact NE2-O 3.27Å; L529-F533 HydrophobicContact CB-CB 4.46Å; L529-F533 HydrophobicContact CD1-CD1 3.97Å; L529-F533 HydrophobicContact CD1-CE1 4.26Å; L529-F533 HydrophobicContact CD1-CG 4.23Å; L529-W578 HydrophobicContact CD1-CH2 4.38Å; L529-W578 HydrophobicContact CD1-CZ2 4.35Å; L529-Y604 CarbonylContact C-O 3.56Å; L529-Y604 VanDerWaalsContact CA-O 3.27Å; L529-Y604 WeakPolarHBondContact CA-O 3.45Å; L529-I605 HydrophobicContact CD2-CG1 3.84Å
530	S	91.8	Very high	91.7	Very high	8 Å²	8	41.9 Å²	41.9	6%	0.056	23%	0.232	C	C	.	.			trans	-58.5	141.9	172.8	-166.8	0	0	0	0	110.4	D532 F533 Y604 R606	S530-D532 PolarHBondContact O-N 2.97Å; S530-D532 VanDerWaalsContact O-N 3.13Å; S530-D532 PolarHBondContact OG-OD2 3.41Å; S530-D532 VanDerWaalsContact OG-OD2 3.11Å; S530-F533 WeakPolarHBondContact O-CB 3.46Å; S530-F533 PolarHBondContact O-N 2.94Å; S530-Y604 PolarHBondContact N-O 3.08Å; S530-R606 PolarHBondContact OG-NH2 2.71Å
531	P	89	Confident	91.4	Very high	104 Å²	104	44.4 Å²	44.4	68%	0.675	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.4	169.9	-26.3	35.5	0	0	0	113.3	F533	P531-F533 PolarHBondContact O-N 3.22Å
532	D	89.9	Confident	90.8	Very high	123 Å²	123	41.6 Å²	41.6	66%	0.658	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.8	178.1	-46.5	-55.2	0	0	0	113.7	S530 P534	S530-D532 PolarHBondContact O-N 2.97Å; S530-D532 VanDerWaalsContact O-N 3.13Å; S530-D532 PolarHBondContact OG-OD2 3.41Å; S530-D532 VanDerWaalsContact OG-OD2 3.11Å; D532-P534 WeakPolarHBondContact O-CD 3.5Å
533	F	91	Very high	89.8	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.039	24%	0.241	C	C	.	.			trans	-63	123.3	179.7	175.8	-104.9	0	0	0	111.1	F520 L529 S530 P531 K535 V538 M552 W578 L601 Y604	F520-F533 HydrophobicContact CD1-CE1 4.47Å; F520-F533 AromaticContact CE1-CE1 3.99Å; F520-F533 HydrophobicContact CE1-CE1 3.99Å; L529-F533 HydrophobicContact CB-CB 4.46Å; L529-F533 HydrophobicContact CD1-CD1 3.97Å; L529-F533 HydrophobicContact CD1-CE1 4.26Å; L529-F533 HydrophobicContact CD1-CG 4.23Å; S530-F533 WeakPolarHBondContact O-CB 3.46Å; S530-F533 PolarHBondContact O-N 2.94Å; P531-F533 PolarHBondContact O-N 3.22Å; F533-K535 VanDerWaalsContact C-N 3.33Å; F533-K535 HydrophobicContact CD1-CG 3.7Å; F533-K535 HydrophobicContact CE1-CG 4.02Å; F533-K535 PolarHBondContact O-N 2.9Å; F533-V538 HydrophobicContact CE1-CG2 4.11Å; F533-V538 HydrophobicContact CZ-CG2 3.81Å; F533-M552 HydrophobicContact CE2-CE 4.46Å; F533-M552 HydrophobicContact CE2-SD 4.2Å; F533-W578 HydrophobicContact CE1-CH2 4.1Å; F533-W578 HydrophobicContact CE1-CZ3 4.48Å; F533-W578 AromaticContact CE2-CH2 3.95Å; F533-W578 HydrophobicContact CE2-CH2 3.95Å; F533-W578 AromaticContact CZ-CH2 3.46Å; F533-W578 HydrophobicContact CZ-CH2 3.46Å; F533-W578 VanDerWaalsContact CZ-CH2 3.46Å; F533-W578 AromaticContact CZ-CZ3 3.8Å; F533-W578 HydrophobicContact CZ-CZ3 3.8Å; F533-L601 HydrophobicContact CE2-CD2 3.76Å; F533-L601 HydrophobicContact CZ-CD2 4.32Å; F533-Y604 HydrophobicContact CB-CD1 4.08Å; F533-Y604 HydrophobicContact CB-CG 4.28Å; F533-Y604 HydrophobicContact CD2-CD1 4.22Å; F533-Y604 AromaticContact CD2-CD2 3.95Å; F533-Y604 HydrophobicContact CD2-CD2 3.95Å; F533-Y604 AromaticContact CD2-CG 3.73Å; F533-Y604 HydrophobicContact CD2-CG 3.73Å
534	P	90.9	Very high	88.4	Confident	35 Å²	35	54.6 Å²	54.6	23%	0.227	28%	0.281	C	S	.	.			trans	-78.9	76.1	-173.8	32.9	-38.1	0	0	0	112.1	D532 R536 N537 M552	D532-P534 WeakPolarHBondContact O-CD 3.5Å; P534-R536 PolarHBondContact O-N 3.21Å; P534-R536 VanDerWaalsContact O-N 3.14Å; P534-N537 HydrophobicContact CB-CB 4.3Å; P534-N537 WeakPolarHBondContact O-CB 3.36Å; P534-N537 PolarHBondContact O-N 2.95Å; P534-M552 HydrophobicContact CG-CE 3.53Å
535	K	92.3	Very high	87.4	Confident	59 Å²	59	55.4 Å²	55.4	26%	0.257	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-51.6	-38.6	-179.1	-66.8	179.5	-177.1	176.8	0	113.5	E515 F520 F533 N537 V538	E515-K535 HydrophobicContact CG-CB 4.38Å; F520-K535 HydrophobicContact CB-CD 4.31Å; F520-K535 HydrophobicContact CD1-CD 4.37Å; F520-K535 HydrophobicContact CD1-CG 4.1Å; F520-K535 HydrophobicContact CD2-CB 4.33Å; F520-K535 HydrophobicContact CD2-CD 4.11Å; F520-K535 HydrophobicContact CD2-CG 4.34Å; F520-K535 HydrophobicContact CE1-CB 4.21Å; F520-K535 HydrophobicContact CE1-CG 4.13Å; F520-K535 HydrophobicContact CE2-CB 3.93Å; F520-K535 HydrophobicContact CE2-CG 4.36Å; F520-K535 HydrophobicContact CG-CD 4.02Å; F520-K535 HydrophobicContact CG-CG 4.21Å; F520-K535 HydrophobicContact CZ-CB 3.85Å; F520-K535 HydrophobicContact CZ-CG 4.24Å; F520-K535 WeakPolarHBondContact CZ-O 3.42Å; F533-K535 VanDerWaalsContact C-N 3.33Å; F533-K535 HydrophobicContact CD1-CG 3.7Å; F533-K535 HydrophobicContact CE1-CG 4.02Å; F533-K535 PolarHBondContact O-N 2.9Å; K535-N537 PolarHBondContact O-N 2.76Å; K535-N537 VanDerWaalsContact O-N 3.13Å; K535-V538 WeakPolarHBondContact O-CB 3.44Å; K535-V538 PolarHBondContact O-N 2.82Å; K535-V538 VanDerWaalsContact O-N 3.13Å
536	R	92.1	Very high	86.6	Confident	125 Å²	125	57.9 Å²	57.9	47%	0.472	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.6	179.7	-63.9	-173.8	-175	-161.3	-6.4	113.5	F512 E515 P534 V538 R558	F512-R536 VanDerWaalsContact CD1-O 3.29Å; F512-R536 WeakPolarHBondContact CD1-O 3.39Å; E515-R536 HydrophobicContact CG-CG 3.64Å; E515-R536 WeakPolarHBondContact OE1-CG 3.22Å; E515-R536 IonicContact OE1-CZ 3.21Å; E515-R536 IonicContact OE1-NE 3.83Å; E515-R536 PolarHBondContact OE1-NE 3.17Å; E515-R536 IonicContact OE1-NH2 2.66Å; E515-R536 PolarHBondContact OE1-NH2 3Å; E515-R536 IonicContact OE2-CZ 3.61Å; E515-R536 IonicContact OE2-NE 3.12Å; E515-R536 PolarHBondContact OE2-NE 2.89Å; E515-R536 IonicContact OE2-NH2 3.87Å; E515-R536 PolarHBondContact OE2-NH2 2.93Å; P534-R536 PolarHBondContact O-N 3.21Å; P534-R536 VanDerWaalsContact O-N 3.14Å; R536-V538 VanDerWaalsContact C-N 3.27Å; R536-V538 PolarHBondContact O-N 3.33Å; R536-R558 WeakPolarHBondContact O-CD 3.42Å; R536-R558 PolarHBondContact O-NE 3.43Å
537	N	92.9	Very high	86	Confident	13 Å²	13	59 Å²	59	7%	0.07	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-84.8	-1.5	-177.8	-68.3	12.3	0	0	0	113.2	P534 K535 M552 V553 K555 R558	P534-N537 HydrophobicContact CB-CB 4.3Å; P534-N537 WeakPolarHBondContact O-CB 3.36Å; P534-N537 PolarHBondContact O-N 2.95Å; K535-N537 PolarHBondContact O-N 2.76Å; K535-N537 VanDerWaalsContact O-N 3.13Å; N537-M552 HydrophobicContact CB-CG 4.49Å; N537-V553 WeakPolarHBondContact CB-O 3.23Å; N537-V553 PolarHBondContact ND2-O 3.39Å; N537-V553 PolarHBondContact O-N 3.41Å; N537-V553 VanDerWaalsContact O-N 3.16Å; N537-K555 PolarHBondContact ND2-N 3.2Å; N537-R558 WeakPolarHBondContact OD1-CD 3.35Å
538	V	93.7	Very high	85.6	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135	178.2	-176	0	0	0	0	110	L513 F520 F533 K535 R536 L550 Y551 W578	L513-V538 HydrophobicContact CD1-CB 4.44Å; L513-V538 HydrophobicContact CD1-CG1 3.87Å; L513-V538 HydrophobicContact CG-CG1 4.43Å; L513-V538 PolarHBondContact N-O 3.26Å; F520-V538 HydrophobicContact CE1-CB 4.37Å; F520-V538 HydrophobicContact CE1-CG2 4.07Å; F520-V538 HydrophobicContact CZ-CB 3.93Å; F520-V538 HydrophobicContact CZ-CG1 4.36Å; F520-V538 HydrophobicContact CZ-CG2 4.03Å; F533-V538 HydrophobicContact CE1-CG2 4.11Å; F533-V538 HydrophobicContact CZ-CG2 3.81Å; K535-V538 WeakPolarHBondContact O-CB 3.44Å; K535-V538 PolarHBondContact O-N 2.82Å; K535-V538 VanDerWaalsContact O-N 3.13Å; R536-V538 VanDerWaalsContact C-N 3.27Å; R536-V538 PolarHBondContact O-N 3.33Å; V538-L550 HydrophobicContact CG1-CB 3.91Å; V538-L550 HydrophobicContact CG1-CD1 4.42Å; V538-Y551 CarbonylContact C-O 3.59Å; V538-Y551 VanDerWaalsContact CA-O 3.29Å; V538-Y551 WeakPolarHBondContact CA-O 3.37Å; V538-W578 HydrophobicContact CG2-CZ3 4.32Å
539	L	92.5	Very high	85.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.2	-179.4	70.8	83.8	0	0	0	112.3	F510 V511 F512 Y551 V553 T573	F510-L539 HydrophobicContact CB-CD1 4.47Å; F510-L539 HydrophobicContact CD1-CD1 3.66Å; F510-L539 HydrophobicContact CD1-CD2 4.47Å; F510-L539 HydrophobicContact CE1-CD1 4.48Å; V511-L539 CarbonylContact O-C 3.53Å; V511-L539 WeakPolarHBondContact O-CA 3.33Å; V511-L539 WeakPolarHBondContact O-CB 3.43Å; F512-L539 HydrophobicContact CD1-CB 3.88Å; F512-L539 HydrophobicContact CE1-CB 4Å; F512-L539 HydrophobicContact CE1-CD2 3.84Å; F512-L539 HydrophobicContact CG-CB 4.32Å; F512-L539 HydrophobicContact CZ-CD2 3.88Å; L539-Y551 HydrophobicContact CD1-CD2 4.25Å; L539-Y551 HydrophobicContact CD1-CG 4.33Å; L539-Y551 PolarHBondContact N-O 3.47Å; L539-Y551 PolarHBondContact O-N 3.18Å; L539-V553 HydrophobicContact CD2-CB 4.48Å; L539-V553 HydrophobicContact CD2-CG1 3.6Å; L539-V553 HydrophobicContact CD2-CG2 4.03Å; L539-T573 HydrophobicContact CD2-CG2 4.35Å
540	T	89.9	Confident	85.5	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.025	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161.4	172.6	-176.5	0	0	0	0	110.1	V511 L513 T542 K547	V511-T540 HydrophobicContact CB-CG2 4.02Å; V511-T540 PolarHBondContact N-O 3.22Å; V511-T540 PolarHBondContact O-N 2.93Å; L513-T540 HydrophobicContact CD2-CG2 4.23Å; T540-T542 WeakPolarHBondContact CG2-O 3.32Å; T540-T542 PolarHBondContact OG1-OG1 3.48Å; T540-K547 HydrophobicContact CG2-CG 4.35Å
541	R	83.6	Confident	85.6	Confident	55 Å²	55	69.2 Å²	69.2	21%	0.208	34%	0.34	C	S	.	.	S	Bend	trans	-96.4	22.3	175.2	-64.5	-169.5	179.5	-143.1	-0	113	D508 P509 F510 Y551 N572	D508-R541 HydrophobicContact CB-CB 4.17Å; D508-R541 WeakPolarHBondContact CB-O 3.47Å; P509-R541 CarbonylContact O-C 3.51Å; P509-R541 WeakPolarHBondContact O-CA 3.41Å; F510-R541 HydrophobicContact CD1-CG 4.43Å; F510-R541 HydrophobicContact CE1-CG 4.25Å; R541-Y551 HydrophobicContact CG-CE2 4.14Å; R541-N572 PolarHBondContact NH2-OD1 2.84Å
542	T	76.9	Confident	85.8	Confident	45 Å²	45	64.3 Å²	64.3	28%	0.276	31%	0.308	S	S	.	.			trans	-146	126.5	-175.8	59	0	0	0	0	109.6	T540	T540-T542 WeakPolarHBondContact CG2-O 3.32Å; T540-T542 PolarHBondContact OG1-OG1 3.48Å
543	H	67.3	Low	86	Confident	135 Å²	135	58.5 Å²	58.5	63%	0.625	28%	0.277	S	S	*	.	S	Bend	trans	-72.7	-40.6	168.4	-78.5	-70.6	0	0	0	111.7	P509 V511	P509-H543 WeakPolarHBondContact CG-CD2 3.38Å; P509-H543 WeakPolarHBondContact CG-NE2 3.28Å; V511-H543 WeakPolarHBondContact CG2-CE1 3.47Å; V511-H543 WeakPolarHBondContact CG2-ND1 3.46Å
544	E	64.8	Low	86	Confident	177 Å²	177	58.1 Å²	58.1	83%	0.827	28%	0.275	S	S	*	.	S	Bend	trans	-119.4	147.1	-170.2	-64.9	-179.5	-177.8	0	0	111.5
545	G	70.9	Confident	86	Confident	68 Å²	68	63.1 Å²	63.1	70%	0.701	29%	0.293	S	S	*	.	S	Bend	trans	87.5	-170.3	177.5	0	0	0	0	0	115.1	K547	G545-K547 PolarHBondContact O-N 2.89Å
546	K	74.6	Confident	85.9	Confident	157 Å²	157	61.3 Å²	61.3	68%	0.683	29%	0.286	S	S	*	.			trans	-73.3	110.7	-175.5	-73.6	-166.6	177.5	-174.4	0	110.2	R548	K546-R548 PolarHBondContact O-N 2.86Å
547	K	81.3	Confident	85.9	Confident	43 Å²	43	55.3 Å²	55.3	19%	0.187	26%	0.263	C	S	.	.			trans	-53.5	105.7	172	-62	167.5	-177.5	158.6	0	110.2	L513 D517 V519 T540 G545 L550 R580 F591	L513-K547 HydrophobicContact CD2-CD 4.18Å; D517-K547 IonicContact OD1-NZ 2.78Å; D517-K547 PolarHBondContact OD1-NZ 2.99Å; D517-K547 IonicContact OD2-NZ 2.78Å; D517-K547 PolarHBondContact OD2-NZ 3.22Å; V519-K547 HydrophobicContact CG2-CD 4.2Å; T540-K547 HydrophobicContact CG2-CG 4.35Å; G545-K547 PolarHBondContact O-N 2.89Å; K547-L550 HydrophobicContact CB-CD2 4.35Å; K547-R580 WeakPolarHBondContact O-CD 3.38Å; K547-F591 HydrophobicContact CB-CZ 4.34Å
548	R	85.9	Confident	85.9	Confident	190 Å²	190	57.6 Å²	57.6	72%	0.717	27%	0.271	S	S	*	.			trans	-80	-40.3	-176.8	-70.3	-172.6	177.9	-172.1	0.7	112.8	K546 R580	K546-R548 PolarHBondContact O-N 2.86Å; R548-R580 WeakPolarHBondContact O-CB 3.47Å; R548-R580 PolarHBondContact O-N 2.86Å
549	H	91.3	Very high	85.9	Confident	74 Å²	74	58.7 Å²	58.7	34%	0.343	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142	-176.9	-57.8	-61.6	0	0	0	109.2	Y551 K576 W578 S579	H549-Y551 HydrophobicContact CB-CD2 4.45Å; H549-Y551 HydrophobicContact CB-CE2 3.67Å; H549-K576 HydrophobicContact CB-CD 4.41Å; H549-K576 HydrophobicContact CB-CG 4.45Å; H549-W578 WeakPolarHBondContact CA-O 3.48Å; H549-S579 PolarHBondContact ND1-OG 3.33Å; H549-S579 VanDerWaalsContact ND1-OG 3.15Å
550	L	93.3	Very high	85.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.2	171.2	-54.4	-179.8	0	0	0	108.1	L513 V519 I523 V538 K547 V577 W578 F591	L513-L550 HydrophobicContact CD1-CD2 4.05Å; V519-L550 HydrophobicContact CG1-CD1 3.94Å; I523-L550 HydrophobicContact CD1-CD1 3.99Å; V538-L550 HydrophobicContact CG1-CB 3.91Å; V538-L550 HydrophobicContact CG1-CD1 4.42Å; K547-L550 HydrophobicContact CB-CD2 4.35Å; L550-V577 HydrophobicContact CB-CG2 4.36Å; L550-V577 VanDerWaalsContact O-CG2 3.26Å; L550-V577 WeakPolarHBondContact O-CG2 3.33Å; L550-V577 PolarHBondContact O-N 3.41Å; L550-W578 HydrophobicContact CB-CB 4.15Å; L550-W578 HydrophobicContact CB-CE3 4.15Å; L550-W578 HydrophobicContact CD1-CB 4.21Å; L550-W578 HydrophobicContact CD1-CE3 4.02Å; L550-W578 HydrophobicContact CG-CB 4.35Å; L550-W578 PolarHBondContact N-O 3.28Å; L550-W578 PolarHBondContact O-N 3.1Å; L550-F591 HydrophobicContact CD1-CD1 3.93Å; L550-F591 HydrophobicContact CD1-CE1 3.83Å; L550-F591 HydrophobicContact CD1-CG 4.36Å; L550-F591 HydrophobicContact CD1-CZ 4.19Å; L550-F591 HydrophobicContact CD2-CE1 4.19Å; L550-F591 HydrophobicContact CD2-CZ 4.45Å; L550-F591 HydrophobicContact CG-CD1 4.07Å; L550-F591 HydrophobicContact CG-CE1 3.71Å; L550-F591 HydrophobicContact CG-CZ 4.32Å
551	Y	93.8	Very high	86	Confident	38 Å²	38	59.2 Å²	59.2	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	154.6	178.2	-58.7	-97.1	0	0	0	109.5	V538 L539 R541 H549 V575 K576	V538-Y551 CarbonylContact C-O 3.59Å; V538-Y551 VanDerWaalsContact CA-O 3.29Å; V538-Y551 WeakPolarHBondContact CA-O 3.37Å; L539-Y551 HydrophobicContact CD1-CD2 4.25Å; L539-Y551 HydrophobicContact CD1-CG 4.33Å; L539-Y551 PolarHBondContact N-O 3.47Å; L539-Y551 PolarHBondContact O-N 3.18Å; R541-Y551 HydrophobicContact CG-CE2 4.14Å; H549-Y551 HydrophobicContact CB-CD2 4.45Å; H549-Y551 HydrophobicContact CB-CE2 3.67Å; Y551-V575 CarbonylContact C-O 3.54Å; Y551-V575 WeakPolarHBondContact CA-O 3.22Å; Y551-K576 HydrophobicContact CD1-CB 3.88Å; Y551-K576 HydrophobicContact CE1-CB 3.76Å; Y551-K576 HydrophobicContact CE1-CG 4.29Å
552	M	92.8	Very high	86.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139	177.1	-172.5	168.4	168.9	0	0	109.7	F196 F533 P534 N537 G574 V575 V577 T600 L601	F196-M552 HydrophobicContact CE2-CE 4.14Å; F533-M552 HydrophobicContact CE2-CE 4.46Å; F533-M552 HydrophobicContact CE2-SD 4.2Å; P534-M552 HydrophobicContact CG-CE 3.53Å; N537-M552 HydrophobicContact CB-CG 4.49Å; M552-G574 CarbonylContact O-C 3.55Å; M552-G574 WeakPolarHBondContact O-CA 3.41Å; M552-V575 HydrophobicContact CB-CG1 4.5Å; M552-V575 PolarHBondContact N-O 2.8Å; M552-V575 PolarHBondContact O-N 3.44Å; M552-V577 HydrophobicContact CB-CB 4.43Å; M552-V577 HydrophobicContact CB-CG1 3.58Å; M552-V577 HydrophobicContact CB-CG2 3.94Å; M552-V577 HydrophobicContact SD-CG1 4.32Å; M552-T600 HydrophobicContact CE-CG2 4.03Å; M552-T600 HydrophobicContact SD-CG2 3.78Å; M552-L601 HydrophobicContact SD-CD2 4.28Å
553	V	93.4	Very high	86.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.282	C	S	.	.			trans	-124.9	166.9	176.9	-67.3	0	0	0	0	110.5	P224 F512 N537 L539 L557 R558 L561 T573 G574	P224-V553 WeakPolarHBondContact O-CA 3.44Å; F512-V553 HydrophobicContact CE1-CG2 3.58Å; F512-V553 HydrophobicContact CZ-CG2 3.88Å; N537-V553 WeakPolarHBondContact CB-O 3.23Å; N537-V553 PolarHBondContact ND2-O 3.39Å; N537-V553 PolarHBondContact O-N 3.41Å; N537-V553 VanDerWaalsContact O-N 3.16Å; L539-V553 HydrophobicContact CD2-CB 4.48Å; L539-V553 HydrophobicContact CD2-CG1 3.6Å; L539-V553 HydrophobicContact CD2-CG2 4.03Å; V553-L557 HydrophobicContact CB-CB 4.47Å; V553-L557 HydrophobicContact CB-CD2 4.23Å; V553-L557 HydrophobicContact CG1-CD2 4.21Å; V553-R558 HydrophobicContact CG2-CB 3.99Å; V553-L561 HydrophobicContact CG1-CD1 4.47Å; V553-T573 HydrophobicContact CG1-CG2 4.38Å; V553-T573 WeakPolarHBondContact CG1-OG1 3.46Å; V553-G574 VanDerWaalsContact CG1-CA 3.47Å
554	S	91.8	Very high	88	Confident	1 Å²	1	53 Å²	53	1%	0.007	25%	0.252	C	S	.	.			trans	-67.2	155	169.8	75.6	0	0	0	0	113.6	F196 P224 E556 L557 R558	F196-S554 VanDerWaalsContact CE1-CA 3.42Å; F196-S554 VanDerWaalsContact CE1-CB 3.41Å; P224-S554 PolarHBondContact O-N 2.96Å; S554-E556 VanDerWaalsContact C-N 3.25Å; S554-E556 PolarHBondContact O-N 2.79Å; S554-L557 PolarHBondContact O-N 3.27Å; S554-L557 VanDerWaalsContact OG-CB 3.27Å; S554-L557 WeakPolarHBondContact OG-CB 3.11Å; S554-L557 PolarHBondContact OG-N 3.15Å; S554-R558 WeakPolarHBondContact O-CB 3.38Å; S554-R558 PolarHBondContact O-N 2.65Å
555	K	90.8	Very high	88.7	Confident	140 Å²	140	48.8 Å²	48.8	61%	0.609	24%	0.243	S	C	*	.	H	α-helix	trans	-56.1	-45.6	177.2	177.9	-166.6	168.2	-154.7	0	110.1	N537 R558 N559	N537-K555 PolarHBondContact ND2-N 3.2Å; K555-R558 WeakPolarHBondContact O-CB 3.29Å; K555-R558 PolarHBondContact O-N 3.28Å; K555-N559 PolarHBondContact O-N 3.09Å
556	E	91.2	Very high	89.1	Confident	21 Å²	21	53 Å²	53	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-42	179.3	-63.8	-49.3	123.7	0	0	111.7	E198 F200 S554 R558 N559 V560	E198-E556 HydrophobicContact CG-CG 4.09Å; E198-E556 VanDerWaalsContact O-CG 3.3Å; E198-E556 WeakPolarHBondContact O-CG 3.33Å; F200-E556 HydrophobicContact CD1-CB 3.71Å; F200-E556 HydrophobicContact CE1-CB 3.81Å; S554-E556 VanDerWaalsContact C-N 3.25Å; S554-E556 PolarHBondContact O-N 2.79Å; E556-R558 VanDerWaalsContact C-N 3.33Å; E556-R558 PolarHBondContact O-N 3.19Å; E556-N559 WeakPolarHBondContact O-CB 3.31Å; E556-N559 PolarHBondContact O-N 2.7Å; E556-N559 VanDerWaalsContact O-N 3.15Å; E556-V560 WeakPolarHBondContact O-CG2 3.44Å; E556-V560 PolarHBondContact O-N 3.25Å
557	L	92.2	Very high	89.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-34.7	177.1	-157.7	72.8	0	0	0	112.4	F200 M227 V553 S554 V560 L561 T573	F200-L557 HydrophobicContact CB-CD1 3.96Å; F200-L557 HydrophobicContact CD2-CD1 3.71Å; F200-L557 HydrophobicContact CE2-CD1 4.38Å; F200-L557 HydrophobicContact CG-CD1 3.82Å; M227-L557 HydrophobicContact CB-CD1 3.77Å; M227-L557 HydrophobicContact CB-CD2 4.06Å; M227-L557 HydrophobicContact CB-CG 4.23Å; M227-L557 HydrophobicContact CE-CD1 4.19Å; V553-L557 HydrophobicContact CB-CB 4.47Å; V553-L557 HydrophobicContact CB-CD2 4.23Å; V553-L557 HydrophobicContact CG1-CD2 4.21Å; S554-L557 PolarHBondContact O-N 3.27Å; S554-L557 VanDerWaalsContact OG-CB 3.27Å; S554-L557 WeakPolarHBondContact OG-CB 3.11Å; S554-L557 PolarHBondContact OG-N 3.15Å; L557-V560 PolarHBondContact O-N 3.45Å; L557-L561 WeakPolarHBondContact O-CB 3.22Å; L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.12Å; L557-T573 VanDerWaalsContact CD2-OG1 3.27Å; L557-T573 WeakPolarHBondContact CD2-OG1 3.41Å
558	R	92.8	Very high	89.6	Confident	60 Å²	60	50.4 Å²	50.4	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-46	169.8	170.1	-176.3	-173.8	-80.1	-1.7	111.4	F512 R536 N537 V553 S554 K555 E556 V560 L561 L562	F512-R558 HydrophobicContact CD1-CG 4.04Å; F512-R558 HydrophobicContact CE1-CB 3.81Å; F512-R558 HydrophobicContact CE1-CG 3.56Å; F512-R558 HydrophobicContact CE2-CG 4.19Å; F512-R558 HydrophobicContact CZ-CB 3.8Å; F512-R558 HydrophobicContact CZ-CG 3.66Å; R536-R558 WeakPolarHBondContact O-CD 3.42Å; R536-R558 PolarHBondContact O-NE 3.43Å; N537-R558 WeakPolarHBondContact OD1-CD 3.35Å; V553-R558 HydrophobicContact CG2-CB 3.99Å; S554-R558 WeakPolarHBondContact O-CB 3.38Å; S554-R558 PolarHBondContact O-N 2.65Å; K555-R558 WeakPolarHBondContact O-CB 3.29Å; K555-R558 PolarHBondContact O-N 3.28Å; E556-R558 VanDerWaalsContact C-N 3.33Å; E556-R558 PolarHBondContact O-N 3.19Å; R558-V560 VanDerWaalsContact C-N 3.28Å; R558-V560 PolarHBondContact O-N 3.36Å; R558-L561 PolarHBondContact O-N 3.19Å; R558-L562 HydrophobicContact CG-CD1 3.89Å; R558-L562 HydrophobicContact CG-CG 4.39Å; R558-L562 VanDerWaalsContact CZ-CD1 3.41Å; R558-L562 WeakPolarHBondContact O-CG 3.4Å; R558-L562 PolarHBondContact O-N 3.35Å
559	N	92.1	Very high	89.8	Confident	23 Å²	23	43 Å²	43	12%	0.123	20%	0.203	C	C	.	.	H	α-helix	trans	-57.3	-45	177.8	-170.9	1.5	0	0	0	110.6	D242 K555 E556 N563	D242-N559 PolarHBondContact N-ND2 3Å; D242-N559 PolarHBondContact N-OD1 2.95Å; D242-N559 PolarHBondContact O-ND2 2.98Å; K555-N559 PolarHBondContact O-N 3.09Å; E556-N559 WeakPolarHBondContact O-CB 3.31Å; E556-N559 PolarHBondContact O-N 2.7Å; E556-N559 VanDerWaalsContact O-N 3.15Å; N559-N563 WeakPolarHBondContact O-CB 3.38Å; N559-N563 PolarHBondContact O-N 3.43Å; N559-N563 PolarHBondContact O-ND2 3.07Å; N559-N563 PolarHBondContact OD1-ND2 2.88Å
560	V	92.8	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-48.5	174.9	177.3	0	0	0	0	111.8	F200 I202 M227 L239 I241 L250 E556 L557 R558 L562 N563 N564 M568	F200-V560 HydrophobicContact CE1-CG2 4.34Å; F200-V560 HydrophobicContact CZ-CG2 3.91Å; I202-V560 HydrophobicContact CD1-CG1 4.29Å; M227-V560 HydrophobicContact CE-CG1 3.89Å; L239-V560 HydrophobicContact CD1-CG1 3.73Å; I241-V560 HydrophobicContact CG2-CG2 3.68Å; L250-V560 HydrophobicContact CD2-CG2 3.97Å; E556-V560 WeakPolarHBondContact O-CG2 3.44Å; E556-V560 PolarHBondContact O-N 3.25Å; L557-V560 PolarHBondContact O-N 3.45Å; R558-V560 VanDerWaalsContact C-N 3.28Å; R558-V560 PolarHBondContact O-N 3.36Å; V560-L562 PolarHBondContact O-N 2.95Å; V560-N563 PolarHBondContact O-N 3Å; V560-N564 WeakPolarHBondContact O-CB 3.47Å; V560-N564 PolarHBondContact O-N 2.67Å; V560-N564 VanDerWaalsContact O-N 3.16Å; V560-N564 PolarHBondContact O-ND2 3.15Å; V560-M568 HydrophobicContact CG1-SD 4.44Å
561	L	91.8	Very high	89.7	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-44.3	-177.1	-78.2	163.2	0	0	0	112.8	M227 F512 V553 L557 R558 N563 N564 S565 V570 T573	M227-L561 HydrophobicContact SD-CD2 3.56Å; M227-L561 VanDerWaalsContact SD-CD2 3.56Å; M227-L561 HydrophobicContact SD-CG 4.05Å; F512-L561 HydrophobicContact CE2-CB 3.88Å; F512-L561 HydrophobicContact CE2-CD1 4.26Å; F512-L561 HydrophobicContact CZ-CB 4.15Å; F512-L561 HydrophobicContact CZ-CD1 3.83Å; V553-L561 HydrophobicContact CG1-CD1 4.47Å; L557-L561 WeakPolarHBondContact O-CB 3.22Å; L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.12Å; R558-L561 PolarHBondContact O-N 3.19Å; L561-N563 VanDerWaalsContact C-N 3.31Å; L561-N563 PolarHBondContact O-N 2.62Å; L561-N564 PolarHBondContact O-N 2.62Å; L561-S565 PolarHBondContact O-N 2.82Å; L561-V570 HydrophobicContact CD2-CG1 4.37Å; L561-V570 HydrophobicContact CD2-CG2 3.94Å; L561-T573 HydrophobicContact CD1-CG2 3.93Å; L561-T573 HydrophobicContact CD2-CG2 4.41Å
562	L	90.6	Very high	89.6	Confident	80 Å²	80	39.6 Å²	39.6	42%	0.419	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-34.6	-178.7	-72.6	174.2	0	0	0	112.6	F512 R558 V560	F512-L562 HydrophobicContact CD2-CD2 3.54Å; F512-L562 HydrophobicContact CD2-CG 3.95Å; F512-L562 HydrophobicContact CE2-CD2 4.05Å; F512-L562 HydrophobicContact CE2-CG 4.03Å; F512-L562 HydrophobicContact CG-CD2 4.39Å; R558-L562 HydrophobicContact CG-CD1 3.89Å; R558-L562 HydrophobicContact CG-CG 4.39Å; R558-L562 VanDerWaalsContact CZ-CD1 3.41Å; R558-L562 WeakPolarHBondContact O-CG 3.4Å; R558-L562 PolarHBondContact O-N 3.35Å; V560-L562 PolarHBondContact O-N 2.95Å
563	N	89.8	Confident	89.6	Confident	22 Å²	22	39.6 Å²	39.6	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-87.9	-11.2	-176.5	-79.2	-65.7	0	0	0	114.4	Q240 D242 K247 N559 V560 L561	Q240-N563 HydrophobicContact CB-CB 4.37Å; Q240-N563 VanDerWaalsContact O-CB 3.27Å; Q240-N563 WeakPolarHBondContact O-CB 3.42Å; D242-N563 VanDerWaalsContact CG-ND2 3.27Å; D242-N563 PolarHBondContact OD1-OD1 2.83Å; D242-N563 PolarHBondContact OD2-ND2 3.01Å; K247-N563 WeakPolarHBondContact CE-OD1 3.43Å; N559-N563 WeakPolarHBondContact O-CB 3.38Å; N559-N563 PolarHBondContact O-N 3.43Å; N559-N563 PolarHBondContact O-ND2 3.07Å; N559-N563 PolarHBondContact OD1-ND2 2.88Å; V560-N563 PolarHBondContact O-N 3Å; L561-N563 VanDerWaalsContact C-N 3.31Å; L561-N563 PolarHBondContact O-N 2.62Å
564	N	89.3	Confident	89.4	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-132.2	14.3	-171.3	-58.3	-78.1	0	0	0	114.9	L239 Q240 V560 L561 E566 R567 M568	L239-N564 WeakPolarHBondContact CA-OD1 3.43Å; L239-N564 HydrophobicContact CD2-CB 4.2Å; Q240-N564 PolarHBondContact N-ND2 3.46Å; Q240-N564 PolarHBondContact N-OD1 2.08Å; Q240-N564 PolarHBondContact O-ND2 2.87Å; V560-N564 WeakPolarHBondContact O-CB 3.47Å; V560-N564 PolarHBondContact O-N 2.67Å; V560-N564 VanDerWaalsContact O-N 3.16Å; V560-N564 PolarHBondContact O-ND2 3.15Å; L561-N564 PolarHBondContact O-N 2.62Å; N564-E566 PolarHBondContact O-N 3.19Å; N564-E566 VanDerWaalsContact O-N 3.14Å; N564-R567 HydrophobicContact CB-CB 4.39Å; N564-R567 PolarHBondContact O-N 3.45Å; N564-M568 HydrophobicContact CB-CG 4.09Å; N564-M568 HydrophobicContact CB-SD 3.89Å; N564-M568 PolarHBondContact O-N 3.15Å
565	S	79.6	Confident	89.4	Confident	90 Å²	90	40.3 Å²	40.3	63%	0.629	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-35.6	-178.5	58.5	0	0	0	0	114	L561	L561-S565 PolarHBondContact O-N 2.82Å
566	E	80	Confident	89.5	Confident	155 Å²	155	35.4 Å²	35.4	72%	0.724	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16	176.8	-61.1	-169.2	158.1	0	0	113.9	L502 N564	L502-E566 WeakPolarHBondContact CD1-O 3.28Å; N564-E566 PolarHBondContact O-N 3.19Å; N564-E566 VanDerWaalsContact O-N 3.14Å
567	R	82.4	Confident	89.6	Confident	130 Å²	130	34.4 Å²	34.4	49%	0.491	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-16.2	-175.8	-64	176.4	-179.2	-87.6	-2	112.4	P237 N564	P237-R567 WeakPolarHBondContact CG-O 3.28Å; N564-R567 HydrophobicContact CB-CB 4.39Å; N564-R567 PolarHBondContact O-N 3.45Å
568	M	84.6	Confident	89.7	Confident	16 Å²	16	34.4 Å²	34.4	8%	0.079	17%	0.171	C	C	.	.			trans	-127.9	131.1	-170.6	-68.4	-175.9	67.4	0	0	113.3	M227 V229 L239 V560 N564 V570	M227-M568 HydrophobicContact CE-CE 3.41Å; M227-M568 VanDerWaalsContact CE-CE 3.41Å; M227-M568 HydrophobicContact CE-SD 4.15Å; M227-M568 HydrophobicContact SD-CE 3.99Å; V229-M568 HydrophobicContact CB-CE 4.05Å; V229-M568 HydrophobicContact CG1-CE 3.23Å; L239-M568 HydrophobicContact CD1-CE 3.96Å; L239-M568 HydrophobicContact CD1-SD 3.34Å; L239-M568 WeakPolarHBondContact CD1-SD 3.31Å; L239-M568 HydrophobicContact CD2-CE 4.43Å; L239-M568 HydrophobicContact CD2-CG 3.53Å; L239-M568 HydrophobicContact CD2-SD 3.26Å; L239-M568 WeakPolarHBondContact CD2-SD 3.43Å; L239-M568 HydrophobicContact CG-SD 3.92Å; V560-M568 HydrophobicContact CG1-SD 4.44Å; N564-M568 HydrophobicContact CB-CG 4.09Å; N564-M568 HydrophobicContact CB-SD 3.89Å; N564-M568 PolarHBondContact O-N 3.15Å; M568-V570 HydrophobicContact CB-CG2 4.13Å; M568-V570 HydrophobicContact CE-CG2 4.47Å; M568-V570 PolarHBondContact O-N 2.95Å
569	K	89.6	Confident	89.7	Confident	35 Å²	35	32 Å²	32	15%	0.152	16%	0.164	C	C	.	.			trans	-85.1	99.5	162.9	-171.8	177.1	174.9	-165	0	109.8	N208 V229 N230 H231 L502 I571	N208-K569 PolarHBondContact ND2-NZ 3.06Å; V229-K569 VanDerWaalsContact CA-O 3.31Å; V229-K569 WeakPolarHBondContact CA-O 3.49Å; N230-K569 HydrophobicContact CB-CD 4.08Å; N230-K569 HydrophobicContact CB-CG 4.38Å; N230-K569 PolarHBondContact N-O 2.97Å; N230-K569 WeakPolarHBondContact OD1-CE 3.45Å; N230-K569 PolarHBondContact OD1-NZ 3.32Å; H231-K569 PolarHBondContact NE2-N 3.12Å; H231-K569 VanDerWaalsContact NE2-N 3.17Å; L502-K569 HydrophobicContact CD2-CB 3.93Å; K569-I571 HydrophobicContact CG-CD1 4.22Å
570	V	91.1	Very high	89.6	Confident	16 Å²	16	34.3 Å²	34.3	10%	0.097	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.4	177.3	-176.2	0	0	0	0	109.3	M227 F510 L561 M568 T573	M227-V570 HydrophobicContact CG-CG1 3.76Å; M227-V570 HydrophobicContact CG-CG2 4.35Å; M227-V570 HydrophobicContact SD-CG1 4.11Å; M227-V570 HydrophobicContact SD-CG2 3.75Å; F510-V570 HydrophobicContact CD2-CB 4.24Å; F510-V570 HydrophobicContact CD2-CG1 4.11Å; F510-V570 HydrophobicContact CE2-CB 3.8Å; F510-V570 HydrophobicContact CE2-CG1 3.48Å; F510-V570 VanDerWaalsContact CE2-CG1 3.48Å; F510-V570 HydrophobicContact CZ-CG1 4.06Å; L561-V570 HydrophobicContact CD2-CG1 4.37Å; L561-V570 HydrophobicContact CD2-CG2 3.94Å; M568-V570 HydrophobicContact CB-CG2 4.13Å; M568-V570 HydrophobicContact CE-CG2 4.47Å; M568-V570 PolarHBondContact O-N 2.95Å; V570-T573 HydrophobicContact CG1-CG2 4.23Å
571	I	91.4	Very high	89.3	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-42.3	178.9	-55.2	-55.4	0	0	0	110.7	N208 C211 Y212 V215 V228 N230 K569	N208-I571 VanDerWaalsContact ND2-CD1 3.31Å; N208-I571 WeakPolarHBondContact ND2-CD1 3.48Å; C211-I571 HydrophobicContact CB-CG1 4.09Å; C211-I571 HydrophobicContact CB-CG2 4.3Å; Y212-I571 HydrophobicContact CD1-CG2 4.4Å; Y212-I571 HydrophobicContact CE1-CG2 4.13Å; V215-I571 HydrophobicContact CG2-CG2 4.3Å; V228-I571 HydrophobicContact CG1-CB 4.25Å; V228-I571 PolarHBondContact O-N 3.34Å; N230-I571 HydrophobicContact CB-CD1 3.85Å; N230-I571 HydrophobicContact CB-CG1 3.82Å; K569-I571 HydrophobicContact CG-CD1 4.22Å
572	N	92.1	Very high	88.5	Confident	23 Å²	23	40.3 Å²	40.3	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.6	-179.4	-174.1	66.5	0	0	0	110.7	V215 V228 R541	V215-N572 HydrophobicContact CB-CB 4.31Å; V215-N572 HydrophobicContact CG1-CB 3.87Å; V215-N572 HydrophobicContact CG2-CB 3.37Å; V228-N572 HydrophobicContact CB-CB 4.33Å; V228-N572 PolarHBondContact N-O 2.82Å; V228-N572 PolarHBondContact O-N 2.95Å; R541-N572 PolarHBondContact NH2-OD1 2.84Å
573	T	92.6	Very high	87.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.3	172.3	-176.9	0	0	0	0	110.1	I226 F510 L539 V553 L557 L561 V570	I226-T573 WeakPolarHBondContact O-CA 3.43Å; I226-T573 PolarHBondContact O-OG1 3.01Å; F510-T573 HydrophobicContact CD1-CG2 3.56Å; F510-T573 HydrophobicContact CD2-CG2 4.27Å; F510-T573 HydrophobicContact CE1-CG2 3.45Å; F510-T573 VanDerWaalsContact CE1-CG2 3.45Å; F510-T573 HydrophobicContact CE2-CG2 4.19Å; F510-T573 HydrophobicContact CG-CG2 3.98Å; F510-T573 HydrophobicContact CZ-CG2 3.8Å; L539-T573 HydrophobicContact CD2-CG2 4.35Å; V553-T573 HydrophobicContact CG1-CG2 4.38Å; V553-T573 WeakPolarHBondContact CG1-OG1 3.46Å; L557-T573 VanDerWaalsContact CD2-OG1 3.27Å; L557-T573 WeakPolarHBondContact CD2-OG1 3.41Å; L561-T573 HydrophobicContact CD1-CG2 3.93Å; L561-T573 HydrophobicContact CD2-CG2 4.41Å; V570-T573 HydrophobicContact CG1-CG2 4.23Å
574	G	89.8	Confident	86.8	Confident	11 Å²	11	40 Å²	40	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	75.7	172.1	173	0	0	0	0	0	115.6	I226 M552 V553	I226-G574 PolarHBondContact O-N 3.46Å; M552-G574 CarbonylContact O-C 3.55Å; M552-G574 WeakPolarHBondContact O-CA 3.41Å; V553-G574 VanDerWaalsContact CG1-CA 3.47Å
575	V	91.3	Very high	86.1	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.3	179	68.6	0	0	0	0	110.3	N222 P224 Y551 M552 V577 E596	N222-V575 HydrophobicContact CB-CG2 4.1Å; N222-V575 WeakPolarHBondContact O-CG2 3.35Å; P224-V575 HydrophobicContact CB-CG1 3.9Å; Y551-V575 CarbonylContact C-O 3.54Å; Y551-V575 WeakPolarHBondContact CA-O 3.22Å; M552-V575 HydrophobicContact CB-CG1 4.5Å; M552-V575 PolarHBondContact N-O 2.8Å; M552-V575 PolarHBondContact O-N 3.44Å; V575-V577 HydrophobicContact CG1-CG1 4.05Å; V575-V577 PolarHBondContact O-N 3.45Å; V575-E596 HydrophobicContact CG2-CB 4.14Å; V575-E596 WeakPolarHBondContact CG2-O 3.11Å
576	K	93.1	Very high	85.9	Confident	37 Å²	37	48.4 Å²	48.4	16%	0.161	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.9	177.1	-177.5	-178.7	64.3	-162.8	0	109.7	H549 Y551 A594 E596 G597	H549-K576 HydrophobicContact CB-CD 4.41Å; H549-K576 HydrophobicContact CB-CG 4.45Å; Y551-K576 HydrophobicContact CD1-CB 3.88Å; Y551-K576 HydrophobicContact CE1-CB 3.76Å; Y551-K576 HydrophobicContact CE1-CG 4.29Å; K576-A594 HydrophobicContact CD-CB 4.38Å; K576-A594 HydrophobicContact CG-CB 4.04Å; K576-A594 WeakPolarHBondContact O-CB 3.46Å; K576-E596 WeakPolarHBondContact CB-OE2 3.48Å; K576-E596 VanDerWaalsContact CE-CD 3.45Å; K576-E596 VanDerWaalsContact CE-OE1 3.28Å; K576-E596 WeakPolarHBondContact CE-OE1 3.05Å; K576-E596 WeakPolarHBondContact CE-OE2 3.45Å; K576-E596 IonicContact NZ-OE1 3.47Å; K576-E596 PolarHBondContact NZ-OE1 2.96Å; K576-E596 IonicContact NZ-OE2 3.65Å; K576-G597 WeakPolarHBondContact O-CA 3.48Å; K576-G597 PolarHBondContact O-N 3.4Å; K576-G597 VanDerWaalsContact O-N 3.07Å
577	V	93.8	Very high	85.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-34.5	-175.9	-74.5	0	0	0	0	112.7	L550 M552 V575 A594 L601	L550-V577 HydrophobicContact CB-CG2 4.36Å; L550-V577 VanDerWaalsContact O-CG2 3.26Å; L550-V577 WeakPolarHBondContact O-CG2 3.33Å; L550-V577 PolarHBondContact O-N 3.41Å; M552-V577 HydrophobicContact CB-CB 4.43Å; M552-V577 HydrophobicContact CB-CG1 3.58Å; M552-V577 HydrophobicContact CB-CG2 3.94Å; M552-V577 HydrophobicContact SD-CG1 4.32Å; V575-V577 HydrophobicContact CG1-CG1 4.05Å; V575-V577 PolarHBondContact O-N 3.45Å; V577-A594 PolarHBondContact O-N 3.4Å; V577-L601 HydrophobicContact CB-CD1 3.72Å; V577-L601 HydrophobicContact CB-CD2 4.07Å; V577-L601 HydrophobicContact CB-CG 3.85Å; V577-L601 HydrophobicContact CG1-CD1 4.27Å; V577-L601 HydrophobicContact CG1-CD2 4.07Å; V577-L601 HydrophobicContact CG1-CG 3.85Å; V577-L601 WeakPolarHBondContact O-CD1 3.43Å
578	W	94.1	Very high	85.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.1	175.3	-68.6	-79	0	0	0	112.5	I523 Y527 L529 F533 V538 H549 L550 F591 R592 L601	I523-W578 HydrophobicContact CD1-CD2 4.36Å; I523-W578 HydrophobicContact CG2-CH2 4.37Å; I523-W578 HydrophobicContact CG2-CZ2 3.74Å; Y527-W578 AromaticContact CE2-NE1 3.73Å; L529-W578 HydrophobicContact CD1-CH2 4.38Å; L529-W578 HydrophobicContact CD1-CZ2 4.35Å; F533-W578 HydrophobicContact CE1-CH2 4.1Å; F533-W578 HydrophobicContact CE1-CZ3 4.48Å; F533-W578 AromaticContact CE2-CH2 3.95Å; F533-W578 HydrophobicContact CE2-CH2 3.95Å; F533-W578 AromaticContact CZ-CH2 3.46Å; F533-W578 HydrophobicContact CZ-CH2 3.46Å; F533-W578 VanDerWaalsContact CZ-CH2 3.46Å; F533-W578 AromaticContact CZ-CZ3 3.8Å; F533-W578 HydrophobicContact CZ-CZ3 3.8Å; V538-W578 HydrophobicContact CG2-CZ3 4.32Å; H549-W578 WeakPolarHBondContact CA-O 3.48Å; L550-W578 HydrophobicContact CB-CB 4.15Å; L550-W578 HydrophobicContact CB-CE3 4.15Å; L550-W578 HydrophobicContact CD1-CB 4.21Å; L550-W578 HydrophobicContact CD1-CE3 4.02Å; L550-W578 HydrophobicContact CG-CB 4.35Å; L550-W578 PolarHBondContact N-O 3.28Å; L550-W578 PolarHBondContact O-N 3.1Å; W578-F591 HydrophobicContact CB-CB 4.1Å; W578-F591 HydrophobicContact CB-CD1 3.98Å; W578-F591 HydrophobicContact CB-CG 4.42Å; W578-F591 HydrophobicContact CG-CB 4.26Å; W578-R592 WeakPolarHBondContact CA-O 3.16Å; W578-L601 HydrophobicContact CD2-CD1 4.07Å; W578-L601 HydrophobicContact CE3-CD1 4.49Å; W578-L601 HydrophobicContact CH2-CD1 4.01Å; W578-L601 HydrophobicContact CH2-CD2 3.37Å; W578-L601 HydrophobicContact CH2-CG 4.34Å; W578-L601 HydrophobicContact CZ2-CD1 3.54Å; W578-L601 HydrophobicContact CZ2-CD2 3.71Å; W578-L601 HydrophobicContact CZ2-CG 4.27Å; W578-L601 HydrophobicContact CZ3-CD1 4.46Å; W578-L601 HydrophobicContact CZ3-CD2 3.92Å
579	S	92.4	Very high	85.8	Confident	11 Å²	11	39.9 Å²	39.9	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.6	170.2	-63.6	0	0	0	0	109.7	H549 R592	H549-S579 PolarHBondContact ND1-OG 3.33Å; H549-S579 VanDerWaalsContact ND1-OG 3.15Å; S579-R592 PolarHBondContact N-O 3.48Å; S579-R592 WeakPolarHBondContact O-CG 3.4Å; S579-R592 PolarHBondContact O-N 3.14Å
580	R	89.9	Confident	85.8	Confident	71 Å²	71	38.5 Å²	38.5	27%	0.268	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.8	176.7	-164.8	172.6	-172	165.9	3.6	109.9	K547 R548 E585 A590 F591	K547-R580 WeakPolarHBondContact O-CD 3.38Å; R548-R580 WeakPolarHBondContact O-CB 3.47Å; R548-R580 PolarHBondContact O-N 2.86Å; R580-E585 IonicContact CZ-OE1 3.65Å; R580-E585 IonicContact NH2-OE1 2.82Å; R580-E585 PolarHBondContact NH2-OE1 2.93Å; R580-A590 CarbonylContact C-O 3.56Å; R580-A590 VanDerWaalsContact CA-O 3.29Å; R580-A590 WeakPolarHBondContact CA-O 3.48Å; R580-A590 HydrophobicContact CG-CB 4.33Å; R580-A590 WeakPolarHBondContact CG-O 3.26Å; R580-F591 HydrophobicContact CB-CD1 4.2Å; R580-F591 HydrophobicContact CB-CE1 3.91Å; R580-F591 HydrophobicContact CB-CZ 4.42Å; R580-F591 HydrophobicContact CG-CE1 4.4Å; R580-F591 HydrophobicContact CG-CZ 4.47Å
581	N	85.4	Confident	85.8	Confident	33 Å²	33	38.1 Å²	38.1	18%	0.176	21%	0.21	C	C	.	.			trans	-108.8	126.3	170.6	-169.4	22.2	0	0	0	108.2	D583 G584 A590 W670	N581-D583 PolarHBondContact O-N 3.32Å; N581-G584 PolarHBondContact O-N 3.46Å; N581-A590 PolarHBondContact N-O 3.47Å; N581-W670 VanDerWaalsContact ND2-CH2 3.32Å; N581-W670 WeakPolarHBondContact ND2-CH2 3.37Å
582	S	75.1	Confident	85.9	Confident	108 Å²	108	42.3 Å²	42.3	76%	0.755	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.2	-174	-56.6	0	0	0	0	112.5
583	D	73.4	Confident	86	Confident	93 Å²	93	41.4 Å²	41.4	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.1	-177.6	-44.1	-36	0	0	0	111.9	N581 E585 E586 F587	N581-D583 PolarHBondContact O-N 3.32Å; D583-E585 VanDerWaalsContact C-N 3.26Å; D583-E585 PolarHBondContact O-N 3.13Å; D583-E586 WeakPolarHBondContact O-CB 3.42Å; D583-E586 PolarHBondContact O-N 2.96Å; D583-F587 HydrophobicContact CB-CE2 4.2Å; D583-F587 WeakPolarHBondContact O-CD2 3.19Å; D583-F587 VanDerWaalsContact O-CE2 3.28Å; D583-F587 WeakPolarHBondContact O-CE2 3.42Å
584	G	71.3	Confident	86.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63.4	-30.9	-174	0	0	0	0	0	113.7	N581 E586 F587 G588 C589	N581-G584 PolarHBondContact O-N 3.46Å; G584-E586 VanDerWaalsContact C-N 3.25Å; G584-E586 PolarHBondContact O-N 3.46Å; G584-F587 CarbonylContact O-C 3.57Å; G584-F587 PolarHBondContact O-N 3.26Å; G584-G588 PolarHBondContact O-N 3.35Å; G584-C589 CarbonylContact C-O 3.55Å; G584-C589 WeakPolarHBondContact CA-O 3.33Å; G584-C589 CarbonylContact O-C 3.57Å; G584-C589 PolarHBondContact O-N 3.39Å
585	E	75.3	Confident	86.2	Confident	115 Å²	115	42 Å²	42	54%	0.537	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62	-34	-179.8	-68.2	175.3	-164.6	0	0	111.8	R580 D583 F587 G588 A590	R580-E585 IonicContact CZ-OE1 3.65Å; R580-E585 IonicContact NH2-OE1 2.82Å; R580-E585 PolarHBondContact NH2-OE1 2.93Å; D583-E585 VanDerWaalsContact C-N 3.26Å; D583-E585 PolarHBondContact O-N 3.13Å; E585-F587 PolarHBondContact O-N 3.32Å; E585-G588 PolarHBondContact O-N 2.91Å; E585-G588 VanDerWaalsContact O-N 3.1Å; E585-A590 HydrophobicContact CG-CB 3.53Å
586	E	75.6	Confident	86	Confident	155 Å²	155	43.6 Å²	43.6	72%	0.724	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65	-24.5	175.7	-57.3	-174.6	169.2	0	0	112.6	D583 G584	D583-E586 WeakPolarHBondContact O-CB 3.42Å; D583-E586 PolarHBondContact O-N 2.96Å; G584-E586 VanDerWaalsContact C-N 3.25Å; G584-E586 PolarHBondContact O-N 3.46Å
587	F	78.1	Confident	85.8	Confident	66 Å²	66	41.8 Å²	41.8	29%	0.289	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-100.7	8.8	178.8	-51.3	-67.2	0	0	0	112.5	F526 D583 G584 E585 M644 W670	F526-F587 VanDerWaalsContact CE2-O 3.27Å; F526-F587 WeakPolarHBondContact CE2-O 3.48Å; D583-F587 HydrophobicContact CB-CE2 4.2Å; D583-F587 WeakPolarHBondContact O-CD2 3.19Å; D583-F587 VanDerWaalsContact O-CE2 3.28Å; D583-F587 WeakPolarHBondContact O-CE2 3.42Å; G584-F587 CarbonylContact O-C 3.57Å; G584-F587 PolarHBondContact O-N 3.26Å; E585-F587 PolarHBondContact O-N 3.32Å; F587-M644 HydrophobicContact CD1-CB 3.89Å; F587-M644 HydrophobicContact CD1-CE 4.08Å; F587-M644 HydrophobicContact CE1-CB 4.48Å; F587-M644 HydrophobicContact CE1-CE 3.52Å; F587-M644 HydrophobicContact CE1-SD 4.29Å; F587-M644 HydrophobicContact CZ-CE 4.22Å; F587-W670 AromaticContact CD2-CH2 3.95Å; F587-W670 HydrophobicContact CD2-CH2 3.95Å; F587-W670 AromaticContact CD2-CZ2 3.78Å; F587-W670 HydrophobicContact CD2-CZ2 3.78Å; F587-W670 HydrophobicContact CE2-CZ2 4.1Å; F587-W670 HydrophobicContact CG-CZ2 4.29Å
588	G	80.3	Confident	85.6	Confident	49 Å²	49	41.9 Å²	41.9	51%	0.505	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	-9.7	175.9	0	0	0	0	0	115.7	G584 E585	G584-G588 PolarHBondContact O-N 3.35Å; E585-G588 PolarHBondContact O-N 2.91Å; E585-G588 VanDerWaalsContact O-N 3.1Å
589	C	86.9	Confident	85.2	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.047	24%	0.237	C	C	.	.			trans	-153.7	123.2	176.6	-176	0	0	0	0	113	F526 G584 F591	F526-C589 HydrophobicContact CB-CB 3.64Å; F526-C589 HydrophobicContact CD1-CB 3.76Å; F526-C589 HydrophobicContact CD2-CB 3.57Å; F526-C589 HydrophobicContact CE1-CB 4.24Å; F526-C589 HydrophobicContact CE2-CB 4.06Å; F526-C589 HydrophobicContact CG-CB 3.37Å; F526-C589 HydrophobicContact CZ-CB 4.36Å; G584-C589 CarbonylContact C-O 3.55Å; G584-C589 WeakPolarHBondContact CA-O 3.33Å; G584-C589 CarbonylContact O-C 3.57Å; G584-C589 PolarHBondContact O-N 3.39Å; C589-F591 PolarHBondContact O-N 3.41Å; C589-F591 VanDerWaalsContact O-N 3.15Å; C589-F591 PolarHBondContact SG-N 2.95Å; C589-F591 VanDerWaalsContact SG-N 3.4Å; C589-F591 PolarHBondContact SG-O 3.28Å; C589-F591 VanDerWaalsContact SG-O 3.35Å
590	A	88.2	Confident	84.9	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	24%	0.237	C	C	.	.	S	Bend	trans	-65.2	-15.4	177.5	0	0	0	0	0	113.9	R580 N581 E585	R580-A590 CarbonylContact C-O 3.56Å; R580-A590 VanDerWaalsContact CA-O 3.29Å; R580-A590 WeakPolarHBondContact CA-O 3.48Å; R580-A590 HydrophobicContact CG-CB 4.33Å; R580-A590 WeakPolarHBondContact CG-O 3.26Å; N581-A590 PolarHBondContact N-O 3.47Å; E585-A590 HydrophobicContact CG-CB 3.53Å
591	F	92.1	Very high	84.8	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.9	-171.7	-72.5	-85.1	0	0	0	111.2	V519 I523 Y527 K547 L550 W578 R580 C589	V519-F591 HydrophobicContact CB-CE2 4.34Å; V519-F591 HydrophobicContact CG1-CD2 3.79Å; V519-F591 HydrophobicContact CG1-CE2 3.39Å; V519-F591 HydrophobicContact CG1-CZ 3.99Å; V519-F591 HydrophobicContact CG2-CE2 4.05Å; V519-F591 HydrophobicContact CG2-CZ 4.45Å; I523-F591 HydrophobicContact CD1-CB 4.04Å; I523-F591 HydrophobicContact CD1-CD2 3.99Å; I523-F591 HydrophobicContact CD1-CG 4.08Å; I523-F591 HydrophobicContact CG1-CB 4.18Å; I523-F591 HydrophobicContact CG1-CD2 4.28Å; Y527-F591 PolarHBondContact OH-O 3.44Å; Y527-F591 VanDerWaalsContact OH-O 3.1Å; K547-F591 HydrophobicContact CB-CZ 4.34Å; L550-F591 HydrophobicContact CD1-CD1 3.93Å; L550-F591 HydrophobicContact CD1-CE1 3.83Å; L550-F591 HydrophobicContact CD1-CG 4.36Å; L550-F591 HydrophobicContact CD1-CZ 4.19Å; L550-F591 HydrophobicContact CD2-CE1 4.19Å; L550-F591 HydrophobicContact CD2-CZ 4.45Å; L550-F591 HydrophobicContact CG-CD1 4.07Å; L550-F591 HydrophobicContact CG-CE1 3.71Å; L550-F591 HydrophobicContact CG-CZ 4.32Å; W578-F591 HydrophobicContact CB-CB 4.1Å; W578-F591 HydrophobicContact CB-CD1 3.98Å; W578-F591 HydrophobicContact CB-CG 4.42Å; W578-F591 HydrophobicContact CG-CB 4.26Å; R580-F591 HydrophobicContact CB-CD1 4.2Å; R580-F591 HydrophobicContact CB-CE1 3.91Å; R580-F591 HydrophobicContact CB-CZ 4.42Å; R580-F591 HydrophobicContact CG-CE1 4.4Å; R580-F591 HydrophobicContact CG-CZ 4.47Å; C589-F591 PolarHBondContact O-N 3.41Å; C589-F591 VanDerWaalsContact O-N 3.15Å; C589-F591 PolarHBondContact SG-N 2.95Å; C589-F591 VanDerWaalsContact SG-N 3.4Å; C589-F591 PolarHBondContact SG-O 3.28Å; C589-F591 VanDerWaalsContact SG-O 3.35Å
592	R	93.3	Very high	84.9	Confident	91 Å²	91	42.1 Å²	42.1	34%	0.343	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	151.4	170.1	68.4	175.2	-175.3	-161.8	0.2	110.8	W578 S579	W578-R592 WeakPolarHBondContact CA-O 3.16Å; S579-R592 PolarHBondContact N-O 3.48Å; S579-R592 WeakPolarHBondContact O-CG 3.4Å; S579-R592 PolarHBondContact O-N 3.14Å
593	L	94.5	Very high	85.6	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	144	173.8	-61.5	167.4	0	0	0	110.9	Y527 I598 L601 I605 S646 V648 C668	Y527-L593 HydrophobicContact CD1-CD1 4.38Å; Y527-L593 HydrophobicContact CE1-CD1 3.72Å; Y527-L593 HydrophobicContact CE1-CD2 4.09Å; Y527-L593 HydrophobicContact CE1-CG 3.71Å; Y527-L593 PolarHBondContact OH-N 3.23Å; L593-I598 HydrophobicContact CD1-CD1 4.29Å; L593-L601 HydrophobicContact CD2-CD1 3.62Å; L593-I605 HydrophobicContact CD1-CD1 4.09Å; L593-I605 HydrophobicContact CD2-CD1 3.66Å; L593-S646 PolarHBondContact N-OG 3.21Å; L593-V648 HydrophobicContact CD1-CG2 3.44Å; L593-V648 VanDerWaalsContact CD1-CG2 3.44Å; L593-C668 HydrophobicContact CB-CB 4.32Å; L593-C668 VanDerWaalsContact CB-SG 3.57Å
594	A	93.4	Very high	86.4	Confident	8 Å²	8	38.2 Å²	38.2	7%	0.066	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-103.8	134	171.5	0	0	0	0	0	110.4	K576 V577 E596 G597 I598 C668	K576-A594 HydrophobicContact CD-CB 4.38Å; K576-A594 HydrophobicContact CG-CB 4.04Å; K576-A594 WeakPolarHBondContact O-CB 3.46Å; V577-A594 PolarHBondContact O-N 3.4Å; A594-E596 PolarHBondContact O-N 3.33Å; A594-G597 PolarHBondContact O-N 3.47Å; A594-G597 VanDerWaalsContact O-N 3.14Å; A594-I598 PolarHBondContact O-N 2.87Å; A594-C668 VanDerWaalsContact C-SG 3.53Å
595	Q	91.8	Very high	87.5	Confident	15 Å²	15	38.4 Å²	38.4	7%	0.07	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.2	-35.9	179.5	-172.7	61.8	21.4	0	0	112.5	G597 I598 Q666	Q595-G597 VanDerWaalsContact C-N 3.29Å; Q595-G597 PolarHBondContact O-N 3.37Å; Q595-I598 VanDerWaalsContact O-CG2 3.3Å; Q595-I598 WeakPolarHBondContact O-CG2 3.37Å; Q595-I598 PolarHBondContact O-N 2.98Å; Q595-Q666 PolarHBondContact NE2-O 2.97Å; Q595-Q666 VanDerWaalsContact NE2-O 3.09Å
596	E	88.6	Confident	88.3	Confident	39 Å²	39	39.5 Å²	39.5	18%	0.182	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.5	-42.4	177.8	-64.7	172	-148.3	0	0	112	K219 N222 V575 K576 A594	K219-E596 VanDerWaalsContact CE-CD 3.49Å; K219-E596 WeakPolarHBondContact CE-OE2 3.31Å; K219-E596 IonicContact NZ-OE1 3.72Å; K219-E596 IonicContact NZ-OE2 3.8Å; N222-E596 VanDerWaalsContact CB-O 3.23Å; N222-E596 WeakPolarHBondContact CB-O 3.42Å; N222-E596 WeakPolarHBondContact OD1-CB 3.5Å; V575-E596 HydrophobicContact CG2-CB 4.14Å; V575-E596 WeakPolarHBondContact CG2-O 3.11Å; K576-E596 WeakPolarHBondContact CB-OE2 3.48Å; K576-E596 VanDerWaalsContact CE-CD 3.45Å; K576-E596 VanDerWaalsContact CE-OE1 3.28Å; K576-E596 WeakPolarHBondContact CE-OE1 3.05Å; K576-E596 WeakPolarHBondContact CE-OE2 3.45Å; K576-E596 IonicContact NZ-OE1 3.47Å; K576-E596 PolarHBondContact NZ-OE1 2.96Å; K576-E596 IonicContact NZ-OE2 3.65Å; A594-E596 PolarHBondContact O-N 3.33Å
597	G	88.5	Confident	89.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-103	10.6	-174.3	0	0	0	0	0	115.5	K576 A594 Q595 Y599 T600 L601	K576-G597 WeakPolarHBondContact O-CA 3.48Å; K576-G597 PolarHBondContact O-N 3.4Å; K576-G597 VanDerWaalsContact O-N 3.07Å; A594-G597 PolarHBondContact O-N 3.47Å; A594-G597 VanDerWaalsContact O-N 3.14Å; Q595-G597 VanDerWaalsContact C-N 3.29Å; Q595-G597 PolarHBondContact O-N 3.37Å; G597-Y599 PolarHBondContact O-N 2.88Å; G597-T600 WeakPolarHBondContact O-CB 3.36Å; G597-T600 PolarHBondContact O-N 3.19Å; G597-L601 PolarHBondContact O-N 2.68Å
598	I	89.8	Confident	89.9	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-42.5	-171.2	-171	53.9	0	0	0	112.4	L593 A594 Q595 T600 L601 Q602 V648 Q666	L593-I598 HydrophobicContact CD1-CD1 4.29Å; A594-I598 PolarHBondContact O-N 2.87Å; Q595-I598 VanDerWaalsContact O-CG2 3.3Å; Q595-I598 WeakPolarHBondContact O-CG2 3.37Å; Q595-I598 PolarHBondContact O-N 2.98Å; I598-T600 PolarHBondContact O-N 3.17Å; I598-L601 PolarHBondContact O-N 2.93Å; I598-L601 VanDerWaalsContact O-N 3.13Å; I598-Q602 VanDerWaalsContact O-CB 3.32Å; I598-Q602 WeakPolarHBondContact O-CB 3.38Å; I598-Q602 PolarHBondContact O-N 3.47Å; I598-V648 HydrophobicContact CD1-CG1 4.26Å; I598-V648 HydrophobicContact CD1-CG2 3.95Å; I598-Q666 HydrophobicContact CG1-CB 4.2Å; I598-Q666 HydrophobicContact CG2-CB 4.41Å
599	Y	84.8	Confident	90.6	Very high	81 Å²	81	31.7 Å²	31.7	32%	0.318	15%	0.147	S	C	.	.	H	α-helix	trans	-63.7	-32.1	179.2	-67.1	-75.4	0	0	0	112	G597 P603 Q666	G597-Y599 PolarHBondContact O-N 2.88Å; Y599-P603 WeakPolarHBondContact O-CD 3.21Å; Y599-Q666 HydrophobicContact CD1-CG 4.48Å; Y599-Q666 HydrophobicContact CE1-CB 4.08Å; Y599-Q666 HydrophobicContact CE1-CG 4.04Å
600	T	86.4	Confident	91.1	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.08	15%	0.145	C	C	.	.	H	α-helix	trans	-72.9	-36.5	174.9	-48.7	0	0	0	0	112.4	F196 P224 M552 G597 I598	F196-T600 HydrophobicContact CD2-CG2 3.97Å; F196-T600 HydrophobicContact CE2-CG2 3.73Å; P224-T600 HydrophobicContact CG-CG2 4.25Å; M552-T600 HydrophobicContact CE-CG2 4.03Å; M552-T600 HydrophobicContact SD-CG2 3.78Å; G597-T600 WeakPolarHBondContact O-CB 3.36Å; G597-T600 PolarHBondContact O-N 3.19Å; I598-T600 PolarHBondContact O-N 3.17Å
601	L	89.2	Confident	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-87.1	-35	-176.1	-76.2	-173.4	0	0	0	114.3	F533 M552 V577 W578 L593 G597 I598 P603 Y604 I605	F533-L601 HydrophobicContact CE2-CD2 3.76Å; F533-L601 HydrophobicContact CZ-CD2 4.32Å; M552-L601 HydrophobicContact SD-CD2 4.28Å; V577-L601 HydrophobicContact CB-CD1 3.72Å; V577-L601 HydrophobicContact CB-CD2 4.07Å; V577-L601 HydrophobicContact CB-CG 3.85Å; V577-L601 HydrophobicContact CG1-CD1 4.27Å; V577-L601 HydrophobicContact CG1-CD2 4.07Å; V577-L601 HydrophobicContact CG1-CG 3.85Å; V577-L601 WeakPolarHBondContact O-CD1 3.43Å; W578-L601 HydrophobicContact CD2-CD1 4.07Å; W578-L601 HydrophobicContact CE3-CD1 4.49Å; W578-L601 HydrophobicContact CH2-CD1 4.01Å; W578-L601 HydrophobicContact CH2-CD2 3.37Å; W578-L601 HydrophobicContact CH2-CG 4.34Å; W578-L601 HydrophobicContact CZ2-CD1 3.54Å; W578-L601 HydrophobicContact CZ2-CD2 3.71Å; W578-L601 HydrophobicContact CZ2-CG 4.27Å; W578-L601 HydrophobicContact CZ3-CD1 4.46Å; W578-L601 HydrophobicContact CZ3-CD2 3.92Å; L593-L601 HydrophobicContact CD2-CD1 3.62Å; G597-L601 PolarHBondContact O-N 2.68Å; I598-L601 PolarHBondContact O-N 2.93Å; I598-L601 VanDerWaalsContact O-N 3.13Å; L601-P603 VanDerWaalsContact C-N 3.32Å; L601-Y604 PolarHBondContact O-N 3.47Å; L601-I605 HydrophobicContact CB-CD1 4.06Å; L601-I605 PolarHBondContact O-N 3.43Å
602	Q	87.4	Confident	91.5	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.126	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.5	-39	-169.4	-172.3	-82.6	-61	0	0	114	I598 Y604 I605 Q666	I598-Q602 VanDerWaalsContact O-CB 3.32Å; I598-Q602 WeakPolarHBondContact O-CB 3.38Å; I598-Q602 PolarHBondContact O-N 3.47Å; Q602-Y604 PolarHBondContact O-N 3.41Å; Q602-Y604 VanDerWaalsContact O-N 3.08Å; Q602-I605 PolarHBondContact O-N 3.16Å; Q602-I605 VanDerWaalsContact O-N 3.13Å; Q602-Q666 VanDerWaalsContact CG-OE1 3.25Å
603	P	88.7	Confident	91.5	Very high	67 Å²	67	36 Å²	36	44%	0.435	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-56.5	-25.3	176.3	-27.2	36.5	0	0	0	114	Y599 L601	Y599-P603 WeakPolarHBondContact O-CD 3.21Å; L601-P603 VanDerWaalsContact C-N 3.32Å
604	Y	91.2	Very high	91.4	Very high	51 Å²	51	36.1 Å²	36.1	20%	0.2	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-98.1	-10.9	-178.2	-53.9	-79.3	0	0	0	113.7	L529 S530 F533 L601 Q602	L529-Y604 CarbonylContact C-O 3.56Å; L529-Y604 VanDerWaalsContact CA-O 3.27Å; L529-Y604 WeakPolarHBondContact CA-O 3.45Å; S530-Y604 PolarHBondContact N-O 3.08Å; F533-Y604 HydrophobicContact CB-CD1 4.08Å; F533-Y604 HydrophobicContact CB-CG 4.28Å; F533-Y604 HydrophobicContact CD2-CD1 4.22Å; F533-Y604 AromaticContact CD2-CD2 3.95Å; F533-Y604 HydrophobicContact CD2-CD2 3.95Å; F533-Y604 AromaticContact CD2-CG 3.73Å; F533-Y604 HydrophobicContact CD2-CG 3.73Å; L601-Y604 PolarHBondContact O-N 3.47Å; Q602-Y604 PolarHBondContact O-N 3.41Å; Q602-Y604 VanDerWaalsContact O-N 3.08Å
605	I	93.4	Very high	91.3	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-89	122.3	-179.4	-64.7	171.1	0	0	0	108.8	L529 L593 L601 Q602 S607 I609 V648	L529-I605 HydrophobicContact CD2-CG1 3.84Å; L593-I605 HydrophobicContact CD1-CD1 4.09Å; L593-I605 HydrophobicContact CD2-CD1 3.66Å; L601-I605 HydrophobicContact CB-CD1 4.06Å; L601-I605 PolarHBondContact O-N 3.43Å; Q602-I605 PolarHBondContact O-N 3.16Å; Q602-I605 VanDerWaalsContact O-N 3.13Å; I605-S607 WeakPolarHBondContact CG2-O 3.46Å; I605-I609 HydrophobicContact CG2-CD1 4.38Å; I605-I609 HydrophobicContact CG2-CG1 4.22Å; I605-I609 WeakPolarHBondContact O-CD1 3.27Å; I605-V648 HydrophobicContact CD1-CG2 4.1Å; I605-V648 HydrophobicContact CG2-CG2 4.41Å
606	R	93.3	Very high	91.4	Very high	138 Å²	138	39 Å²	39	52%	0.521	18%	0.179	S	C	.	.			trans	-105.9	-22	-178.9	-58.7	175.2	172.7	-176.9	-3.9	113.9	D528 S530	D528-R606 HydrophobicContact CB-CB 4.33Å; D528-R606 VanDerWaalsContact O-CB 3.24Å; D528-R606 WeakPolarHBondContact O-CB 3.22Å; D528-R606 WeakPolarHBondContact O-CG 3.49Å; D528-R606 PolarHBondContact O-N 3.32Å; D528-R606 VanDerWaalsContact O-N 3.11Å; D528-R606 WeakPolarHBondContact OD2-CB 3.44Å; S530-R606 PolarHBondContact OG-NH2 2.71Å
607	S	93	Very high	91.6	Very high	37 Å²	37	37.2 Å²	37.2	26%	0.259	17%	0.171	S	C	.	.	S	Bend	trans	-117.8	174.7	177.5	78.7	0	0	0	0	112.7	Y527 D528 I605 I609	Y527-S607 PolarHBondContact O-N 3Å; Y527-S607 VanDerWaalsContact O-N 3.11Å; Y527-S607 PolarHBondContact O-OG 3.17Å; D528-S607 WeakPolarHBondContact CB-OG 3.39Å; D528-S607 PolarHBondContact N-OG 2.92Å; I605-S607 WeakPolarHBondContact CG2-O 3.46Å; S607-I609 PolarHBondContact O-N 2.99Å
608	R	93.6	Very high	91.8	Very high	32 Å²	32	40.2 Å²	40.2	12%	0.121	18%	0.183	C	C	.	.	S	Bend	trans	60.1	28.4	177.2	-54.7	-169	69.2	113	6.6	114.2	F526 M642 G643 M644 S646 I647 V648	F526-R608 WeakPolarHBondContact O-CD 3.41Å; R608-M642 VanDerWaalsContact CA-CE 3.43Å; R608-G643 PolarHBondContact NH2-O 3.47Å; R608-M644 PolarHBondContact NH1-O 2.84Å; R608-M644 PolarHBondContact NH2-O 3.45Å; R608-S646 PolarHBondContact NE-O 3.07Å; R608-S646 PolarHBondContact NH2-O 3.29Å; R608-I647 HydrophobicContact CB-CG2 4.34Å; R608-I647 WeakPolarHBondContact O-CA 3.45Å; R608-V648 PolarHBondContact O-N 3.33Å
609	I	95.4	Very high	91.9	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.195	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.4	172.2	-55.3	173.9	0	0	0	108.8	I605 S607 M642 V648 K650	I605-I609 HydrophobicContact CG2-CD1 4.38Å; I605-I609 HydrophobicContact CG2-CG1 4.22Å; I605-I609 WeakPolarHBondContact O-CD1 3.27Å; S607-I609 PolarHBondContact O-N 2.99Å; I609-M642 VanDerWaalsContact O-CE 3.32Å; I609-M642 WeakPolarHBondContact O-CE 3.3Å; I609-V648 CarbonylContact C-O 3.58Å; I609-V648 WeakPolarHBondContact CA-O 3.5Å; I609-V648 HydrophobicContact CG1-CB 4.16Å; I609-K650 HydrophobicContact CG2-CB 3.82Å; I609-K650 HydrophobicContact CG2-CD 4.29Å
610	I	95.7	Very high	92.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.2	172.6	-59.1	-179.7	0	0	0	107.6	V612 A635 Q638 A639 M642 I647 V648 L649 K650 I676	I610-V612 HydrophobicContact CG2-CG1 4.07Å; I610-A635 HydrophobicContact CG2-CB 4.16Å; I610-Q638 HydrophobicContact CG2-CB 4.16Å; I610-A639 HydrophobicContact CD1-CB 3.81Å; I610-M642 HydrophobicContact CD1-SD 3.85Å; I610-M642 HydrophobicContact CG1-CE 3.89Å; I610-M642 HydrophobicContact CG1-SD 3.51Å; I610-M642 VanDerWaalsContact CG1-SD 3.51Å; I610-I647 HydrophobicContact CD1-CD1 3.67Å; I610-I647 HydrophobicContact CG1-CD1 4.47Å; I610-V648 PolarHBondContact N-O 3.06Å; I610-L649 HydrophobicContact CB-CD2 4.24Å; I610-K650 PolarHBondContact O-N 2.87Å; I610-I676 HydrophobicContact CD1-CD1 4.07Å
611	R	95.2	Very high	92.6	Very high	166 Å²	166	37.4 Å²	37.4	63%	0.626	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.9	169.3	-64	-175.7	-177.7	-166.2	0.5	108.7	Q638 K650	R611-Q638 PolarHBondContact O-NE2 3.02Å; R611-K650 WeakPolarHBondContact CA-O 3.49Å
612	V	95.1	Very high	92.6	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	20%	0.199	C	C	.	.			trans	-121.7	146.3	-177.9	-68	0	0	0	0	110	I610 D616 I617 L620 A635 L649 K650 Y651	I610-V612 HydrophobicContact CG2-CG1 4.07Å; V612-D616 HydrophobicContact CB-CB 3.8Å; V612-D616 HydrophobicContact CG1-CB 4.2Å; V612-I617 HydrophobicContact CB-CG1 4.44Å; V612-I617 HydrophobicContact CG2-CD1 4.19Å; V612-I617 HydrophobicContact CG2-CG1 3.74Å; V612-L620 HydrophobicContact CG1-CD1 4.14Å; V612-A635 HydrophobicContact CG1-CB 4.41Å; V612-L649 HydrophobicContact CG1-CB 4.34Å; V612-L649 HydrophobicContact CG1-CD2 3.78Å; V612-L649 HydrophobicContact CG2-CB 4.36Å; V612-K650 PolarHBondContact N-O 3.13Å; V612-K650 VanDerWaalsContact N-O 3.09Å; V612-Y651 WeakPolarHBondContact O-CD2 3.43Å
613	S	93.5	Very high	92.7	Very high	24 Å²	24	43.2 Å²	43.2	17%	0.168	21%	0.208	C	C	.	.			trans	-84.1	176.8	171	67.8	0	0	0	0	112.2	E615 D616 I617 E632	S613-E615 VanDerWaalsContact C-N 3.28Å; S613-E615 PolarHBondContact O-N 3.36Å; S613-E615 PolarHBondContact OG-N 3.38Å; S613-D616 PolarHBondContact N-OD2 3.08Å; S613-D616 VanDerWaalsContact N-OD2 3.07Å; S613-D616 PolarHBondContact O-N 2.95Å; S613-D616 PolarHBondContact OG-N 2.88Å; S613-D616 PolarHBondContact OG-OD2 3.5Å; S613-I617 WeakPolarHBondContact O-CG1 3.26Å; S613-I617 PolarHBondContact O-N 3.24Å; S613-I617 VanDerWaalsContact O-N 3.1Å; S613-E632 WeakPolarHBondContact CB-OE2 3.12Å; S613-E632 VanDerWaalsContact OG-CD 3.26Å; S613-E632 PolarHBondContact OG-OE2 2.94Å
614	V	91.1	Very high	92.5	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-41.2	173.5	161.1	0	0	0	0	111	I617 K618 Y651 E660 L692	V614-I617 PolarHBondContact O-N 3.22Å; V614-K618 HydrophobicContact CG1-CD 4.4Å; V614-K618 WeakPolarHBondContact O-CG 3.3Å; V614-K618 PolarHBondContact O-N 3.29Å; V614-Y651 HydrophobicContact CG2-CD2 4.33Å; V614-Y651 HydrophobicContact CG2-CE2 3.58Å; V614-E660 HydrophobicContact CG2-CB 4.2Å; V614-E660 HydrophobicContact CG2-CG 3.89Å; V614-L692 HydrophobicContact CB-CD2 4.19Å; V614-L692 HydrophobicContact CG1-CD2 3.75Å; V614-L692 HydrophobicContact CG2-CD2 3.9Å
615	E	91.6	Very high	92.5	Very high	81 Å²	81	47.2 Å²	47.2	38%	0.379	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-43.5	-180	-77.3	49	-122.1	0	0	110.9	S613 I617 K618 V619	S613-E615 VanDerWaalsContact C-N 3.28Å; S613-E615 PolarHBondContact O-N 3.36Å; S613-E615 PolarHBondContact OG-N 3.38Å; E615-I617 PolarHBondContact O-N 2.93Å; E615-K618 WeakPolarHBondContact O-CB 3.3Å; E615-K618 PolarHBondContact O-N 2.86Å; E615-K618 IonicContact OE1-NZ 2.71Å; E615-K618 PolarHBondContact OE1-NZ 3.42Å; E615-V619 WeakPolarHBondContact O-CG2 3.3Å; E615-V619 PolarHBondContact O-N 2.79Å
616	D	94	Very high	92.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-46.3	172.9	-72.2	-35.7	0	0	0	111.5	V612 S613 K618 V619 L620 L631 E632 A635	V612-D616 HydrophobicContact CB-CB 3.8Å; V612-D616 HydrophobicContact CG1-CB 4.2Å; S613-D616 PolarHBondContact N-OD2 3.08Å; S613-D616 VanDerWaalsContact N-OD2 3.07Å; S613-D616 PolarHBondContact O-N 2.95Å; S613-D616 PolarHBondContact OG-N 2.88Å; S613-D616 PolarHBondContact OG-OD2 3.5Å; D616-K618 VanDerWaalsContact C-N 3.32Å; D616-K618 PolarHBondContact O-N 2.83Å; D616-V619 PolarHBondContact O-N 2.93Å; D616-L620 HydrophobicContact CB-CD1 4.44Å; D616-L620 WeakPolarHBondContact O-CB 3.37Å; D616-L620 WeakPolarHBondContact O-CD1 3.29Å; D616-L620 WeakPolarHBondContact O-CG 3.36Å; D616-L620 PolarHBondContact O-N 3.35Å; D616-L631 HydrophobicContact CB-CD2 4.24Å; D616-L631 WeakPolarHBondContact OD1-CA 3.43Å; D616-L631 WeakPolarHBondContact OD1-CB 3.3Å; D616-E632 PolarHBondContact OD1-N 3.22Å; D616-A635 WeakPolarHBondContact OD2-CB 3.42Å
617	I	92.8	Very high	92.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-42.3	178.9	-63.1	165.2	0	0	0	110.5	V612 S613 V614 E615 V619 L620 L621 Y651 I665 L667 L692	V612-I617 HydrophobicContact CB-CG1 4.44Å; V612-I617 HydrophobicContact CG2-CD1 4.19Å; V612-I617 HydrophobicContact CG2-CG1 3.74Å; S613-I617 WeakPolarHBondContact O-CG1 3.26Å; S613-I617 PolarHBondContact O-N 3.24Å; S613-I617 VanDerWaalsContact O-N 3.1Å; V614-I617 PolarHBondContact O-N 3.22Å; E615-I617 PolarHBondContact O-N 2.93Å; I617-V619 VanDerWaalsContact C-N 3.31Å; I617-V619 PolarHBondContact O-N 2.77Å; I617-L620 PolarHBondContact O-N 2.83Å; I617-L621 HydrophobicContact CG2-CD1 3.5Å; I617-L621 VanDerWaalsContact CG2-CD1 3.5Å; I617-L621 HydrophobicContact CG2-CG 3.87Å; I617-L621 WeakPolarHBondContact O-CB 3.37Å; I617-L621 VanDerWaalsContact O-CG 3.3Å; I617-L621 WeakPolarHBondContact O-CG 3.39Å; I617-L621 PolarHBondContact O-N 2.83Å; I617-Y651 VanDerWaalsContact CD1-CB 3.49Å; I617-Y651 HydrophobicContact CD1-CD2 4.17Å; I617-Y651 HydrophobicContact CD1-CG 3.85Å; I617-I665 HydrophobicContact CD1-CB 4.47Å; I617-I665 HydrophobicContact CD1-CD1 4.27Å; I617-L667 HydrophobicContact CG2-CD1 4.16Å; I617-L692 HydrophobicContact CB-CD1 3.91Å; I617-L692 HydrophobicContact CG2-CD1 3.47Å; I617-L692 VanDerWaalsContact CG2-CD1 3.47Å
618	K	92.1	Very high	92.6	Very high	62 Å²	62	44.7 Å²	44.7	27%	0.27	21%	0.214	S	C	.	.	H	α-helix	trans	-56.7	-46.1	175.4	-70.3	169.5	-171.7	159.8	0	110.7	V614 E615 D616 T622 L692 V694	V614-K618 HydrophobicContact CG1-CD 4.4Å; V614-K618 WeakPolarHBondContact O-CG 3.3Å; V614-K618 PolarHBondContact O-N 3.29Å; E615-K618 WeakPolarHBondContact O-CB 3.3Å; E615-K618 PolarHBondContact O-N 2.86Å; E615-K618 IonicContact OE1-NZ 2.71Å; E615-K618 PolarHBondContact OE1-NZ 3.42Å; D616-K618 VanDerWaalsContact C-N 3.32Å; D616-K618 PolarHBondContact O-N 2.83Å; K618-T622 VanDerWaalsContact O-CB 3.32Å; K618-T622 WeakPolarHBondContact O-CB 3.46Å; K618-T622 VanDerWaalsContact O-CG2 3.23Å; K618-T622 WeakPolarHBondContact O-CG2 3.42Å; K618-T622 PolarHBondContact O-N 2.99Å; K618-T622 PolarHBondContact O-OG1 3.02Å; K618-L692 HydrophobicContact CG-CB 4.33Å; K618-L692 HydrophobicContact CG-CD1 4.16Å; K618-V694 HydrophobicContact CD-CG2 4.28Å; K618-V694 HydrophobicContact CG-CG2 4.13Å
619	V	92.8	Very high	92.5	Very high	29 Å²	29	47.6 Å²	47.6	18%	0.176	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-47	176.8	172.5	0	0	0	0	111.3	E615 D616 I617 L621 T622 Q623 P626 K630	E615-V619 WeakPolarHBondContact O-CG2 3.3Å; E615-V619 PolarHBondContact O-N 2.79Å; D616-V619 PolarHBondContact O-N 2.93Å; I617-V619 VanDerWaalsContact C-N 3.31Å; I617-V619 PolarHBondContact O-N 2.77Å; V619-L621 VanDerWaalsContact C-N 3.31Å; V619-L621 PolarHBondContact O-N 3.26Å; V619-T622 PolarHBondContact O-N 2.77Å; V619-T622 PolarHBondContact O-OG1 3.4Å; V619-Q623 WeakPolarHBondContact O-CB 3.21Å; V619-Q623 PolarHBondContact O-N 3.45Å; V619-P626 HydrophobicContact CG1-CB 3.69Å; V619-P626 HydrophobicContact CG1-CG 4.17Å; V619-K630 HydrophobicContact CG1-CB 4.09Å
620	L	93.1	Very high	92.4	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-30.5	-177.5	-73.7	163.1	0	0	0	113.7	V612 D616 I617 P626 L631 L649 I676 A678	V612-L620 HydrophobicContact CG1-CD1 4.14Å; D616-L620 HydrophobicContact CB-CD1 4.44Å; D616-L620 WeakPolarHBondContact O-CB 3.37Å; D616-L620 WeakPolarHBondContact O-CD1 3.29Å; D616-L620 WeakPolarHBondContact O-CG 3.36Å; D616-L620 PolarHBondContact O-N 3.35Å; I617-L620 PolarHBondContact O-N 2.83Å; L620-P626 HydrophobicContact CD2-CG 4.11Å; L620-L631 HydrophobicContact CD1-CD2 4.39Å; L620-L631 HydrophobicContact CD2-CD2 4.38Å; L620-L631 HydrophobicContact CG-CD2 4.22Å; L620-L649 HydrophobicContact CD1-CD1 4.03Å; L620-L649 HydrophobicContact CD1-CD2 4.09Å; L620-L649 HydrophobicContact CD2-CD1 4.36Å; L620-I676 HydrophobicContact CD2-CB 4.47Å; L620-I676 HydrophobicContact CD2-CD1 4.46Å; L620-I676 HydrophobicContact CD2-CG1 4.18Å; L620-I676 HydrophobicContact CD2-CG2 3.67Å; L620-A678 HydrophobicContact CB-CB 4.31Å
621	L	91.9	Very high	92.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-91.6	-26.4	179.8	-66.4	-176.7	0	0	0	112.9	I617 V619 L667 A678 V680 R685 Y688 L689	I617-L621 HydrophobicContact CG2-CD1 3.5Å; I617-L621 VanDerWaalsContact CG2-CD1 3.5Å; I617-L621 HydrophobicContact CG2-CG 3.87Å; I617-L621 WeakPolarHBondContact O-CB 3.37Å; I617-L621 VanDerWaalsContact O-CG 3.3Å; I617-L621 WeakPolarHBondContact O-CG 3.39Å; I617-L621 PolarHBondContact O-N 2.83Å; V619-L621 VanDerWaalsContact C-N 3.31Å; V619-L621 PolarHBondContact O-N 3.26Å; L621-L667 HydrophobicContact CD2-CD1 3.97Å; L621-L667 HydrophobicContact CG-CD1 4.42Å; L621-A678 HydrophobicContact CD2-CB 4.47Å; L621-V680 HydrophobicContact CD2-CB 4.27Å; L621-V680 HydrophobicContact CD2-CG2 3.98Å; L621-R685 HydrophobicContact CB-CG 4.08Å; L621-R685 HydrophobicContact CD2-CG 4.18Å; L621-R685 WeakPolarHBondContact O-CD 3.29Å; L621-Y688 VanDerWaalsContact CD1-CB 3.43Å; L621-Y688 HydrophobicContact CD1-CG 4.37Å; L621-L689 HydrophobicContact CB-CD1 4.16Å; L621-L689 HydrophobicContact CB-CD2 3.71Å; L621-L689 HydrophobicContact CB-CG 3.86Å; L621-L689 HydrophobicContact CD1-CD2 4.2Å; L621-L689 HydrophobicContact CD1-CG 4.03Å
622	T	89.9	Confident	92.3	Very high	85 Å²	85	47.7 Å²	47.7	52%	0.521	24%	0.244	S	C	.	.	H	α-helix	trans	-86.6	-32.3	178.3	54.2	0	0	0	0	113.2	K618 V619 L689	K618-T622 VanDerWaalsContact O-CB 3.32Å; K618-T622 WeakPolarHBondContact O-CB 3.46Å; K618-T622 VanDerWaalsContact O-CG2 3.23Å; K618-T622 WeakPolarHBondContact O-CG2 3.42Å; K618-T622 PolarHBondContact O-N 2.99Å; K618-T622 PolarHBondContact O-OG1 3.02Å; V619-T622 PolarHBondContact O-N 2.77Å; V619-T622 PolarHBondContact O-OG1 3.4Å; T622-L689 HydrophobicContact CG2-CD1 4.46Å; T622-L689 HydrophobicContact CG2-CD2 4Å
623	Q	89.4	Confident	92.2	Very high	65 Å²	65	53.6 Å²	53.6	30%	0.304	28%	0.276	S	S	.	.			trans	-108.1	137.2	-179.2	-60.4	177.1	38.5	0	0	110.6	V619 P626 K630	V619-Q623 WeakPolarHBondContact O-CB 3.21Å; V619-Q623 PolarHBondContact O-N 3.45Å; Q623-P626 HydrophobicContact CB-CB 4.26Å; Q623-P626 HydrophobicContact CB-CG 4.41Å; Q623-P626 WeakPolarHBondContact O-CD 3.41Å; Q623-K630 VanDerWaalsContact OE1-CD 3.26Å
624	E	84.6	Confident	92.2	Very high	118 Å²	118	58.7 Å²	58.7	55%	0.551	30%	0.301	S	S	*	.	S	Bend	trans	-72.1	-37.5	-177.7	-69.1	-167.1	162.3	0	0	113.9	R677	E624-R677 VanDerWaalsContact O-CD 3.31Å; E624-R677 WeakPolarHBondContact O-CD 3.5Å; E624-R677 WeakPolarHBondContact O-CG 3.45Å
625	N	90.5	Very high	92.4	Very high	84 Å²	84	58.4 Å²	58.4	45%	0.449	30%	0.299	S	S	.	.	S	Bend	trans	-141.3	64.7	-179	-63.3	-71.8	0	0	0	110.6	R677	N625-R677 VanDerWaalsContact OD1-CD 3.31Å; N625-R677 WeakPolarHBondContact OD1-CD 3.45Å
626	P	94	Very high	92.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.			trans	-56.8	143.5	176.1	23.2	-34.3	0	0	0	111.8	V619 L620 Q623 K630 S675 I676	V619-P626 HydrophobicContact CG1-CB 3.69Å; V619-P626 HydrophobicContact CG1-CG 4.17Å; L620-P626 HydrophobicContact CD2-CG 4.11Å; Q623-P626 HydrophobicContact CB-CB 4.26Å; Q623-P626 HydrophobicContact CB-CG 4.41Å; Q623-P626 WeakPolarHBondContact O-CD 3.41Å; P626-K630 HydrophobicContact CB-CD 4.48Å; P626-S675 CarbonylContact O-C 3.5Å; P626-S675 WeakPolarHBondContact O-CA 3.42Å; P626-S675 WeakPolarHBondContact O-CB 3.23Å; P626-I676 WeakPolarHBondContact CD-O 3.15Å; P626-I676 HydrophobicContact CG-CG2 3.94Å; P626-I676 VanDerWaalsContact CG-O 3.3Å; P626-I676 WeakPolarHBondContact CG-O 3.43Å; P626-I676 PolarHBondContact O-N 3.22Å
627	F	94.6	Very high	92.5	Very high	115 Å²	115	58.2 Å²	58.2	50%	0.504	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-67.6	148.1	168	-68.9	-70.7	0	0	0	109.9	S629 K630 T674	F627-S629 PolarHBondContact O-N 2.62Å; F627-S629 VanDerWaalsContact O-N 3.14Å; F627-K630 WeakPolarHBondContact O-CB 3.48Å; F627-K630 PolarHBondContact O-N 3.29Å; F627-T674 WeakPolarHBondContact CA-O 3.37Å
628	L	92.8	Very high	92.6	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.063	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-54	-37.2	178.2	-61.5	-177.6	0	0	0	111.7	K630 L631 H636 A639 K640 T674 I676	L628-K630 PolarHBondContact O-N 3.06Å; L628-L631 WeakPolarHBondContact O-CB 3.34Å; L628-L631 PolarHBondContact O-N 3.3Å; L628-H636 PolarHBondContact O-ND1 3.32Å; L628-A639 HydrophobicContact CD2-CB 3.87Å; L628-K640 HydrophobicContact CD1-CG 4.46Å; L628-T674 PolarHBondContact N-O 2.99Å; L628-I676 HydrophobicContact CD2-CB 3.75Å; L628-I676 HydrophobicContact CD2-CG2 4.1Å
629	S	92.4	Very high	92.7	Very high	93 Å²	93	57.6 Å²	57.6	65%	0.65	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.3	-5.4	178.9	61.5	0	0	0	0	115.7	F627 H636	F627-S629 PolarHBondContact O-N 2.62Å; F627-S629 VanDerWaalsContact O-N 3.14Å; S629-H636 VanDerWaalsContact CA-CE1 3.46Å; S629-H636 WeakPolarHBondContact CA-CE1 3.28Å; S629-H636 PolarHBondContact N-CE1 3.21Å; S629-H636 PolarHBondContact N-ND1 3.47Å
630	K	93.2	Very high	92.7	Very high	101 Å²	101	62.1 Å²	62.1	44%	0.439	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-91.5	-9.1	172	-65.1	-167.2	177.7	-173.1	0	112.9	V619 Q623 P626 F627 L628	V619-K630 HydrophobicContact CG1-CB 4.09Å; Q623-K630 VanDerWaalsContact OE1-CD 3.26Å; P626-K630 HydrophobicContact CB-CD 4.48Å; F627-K630 WeakPolarHBondContact O-CB 3.48Å; F627-K630 PolarHBondContact O-N 3.29Å; L628-K630 PolarHBondContact O-N 3.06Å
631	L	93.9	Very high	92.6	Very high	11 Å²	11	70.1 Å²	70.1	6%	0.058	36%	0.358	C	S	.	.	S	Bend	trans	-80.3	157.2	171.4	-57.8	179.9	0	0	0	109.8	D616 L620 L628 A635 H636 A639 I676	D616-L631 HydrophobicContact CB-CD2 4.24Å; D616-L631 WeakPolarHBondContact OD1-CA 3.43Å; D616-L631 WeakPolarHBondContact OD1-CB 3.3Å; L620-L631 HydrophobicContact CD1-CD2 4.39Å; L620-L631 HydrophobicContact CD2-CD2 4.38Å; L620-L631 HydrophobicContact CG-CD2 4.22Å; L628-L631 WeakPolarHBondContact O-CB 3.34Å; L628-L631 PolarHBondContact O-N 3.3Å; L631-A635 HydrophobicContact CB-CB 4.18Å; L631-A635 HydrophobicContact CD1-CB 4.22Å; L631-H636 HydrophobicContact CB-CB 4.19Å; L631-A639 HydrophobicContact CD1-CB 4.41Å; L631-I676 HydrophobicContact CD1-CD1 4.01Å; L631-I676 HydrophobicContact CD1-CG2 4.1Å; L631-I676 HydrophobicContact CD2-CG2 4.3Å; L631-I676 HydrophobicContact CG-CG2 4.35Å
632	E	95.4	Very high	92.6	Very high	93 Å²	93	71.7 Å²	71.7	44%	0.435	37%	0.366	S	S	.	.			trans	-64.2	160.1	170.3	-66.9	-167.9	142.3	0	0	111.8	S613 D616 D634 A635 H636	S613-E632 WeakPolarHBondContact CB-OE2 3.12Å; S613-E632 VanDerWaalsContact OG-CD 3.26Å; S613-E632 PolarHBondContact OG-OE2 2.94Å; D616-E632 PolarHBondContact OD1-N 3.22Å; E632-D634 VanDerWaalsContact C-N 3.29Å; E632-D634 PolarHBondContact O-N 2.56Å; E632-A635 PolarHBondContact O-N 2.82Å; E632-H636 VanDerWaalsContact O-CB 3.24Å; E632-H636 WeakPolarHBondContact O-CB 3.34Å; E632-H636 PolarHBondContact O-N 3.25Å
633	D	93.4	Very high	92.6	Very high	136 Å²	136	69.8 Å²	69.8	73%	0.727	36%	0.363	S	S	*	.	H	α-helix	trans	-54.8	-42.3	-168.5	-71.7	-32.3	0	0	0	113	A637	D633-A637 WeakPolarHBondContact O-CB 3.33Å; D633-A637 PolarHBondContact O-N 3.47Å
634	D	93.2	Very high	92.7	Very high	130 Å²	130	69.6 Å²	69.6	70%	0.695	36%	0.363	S	S	*	.	H	α-helix	trans	-66.5	-48	-179.8	-77	-9.6	0	0	0	112.5	E632 A637 Q638	E632-D634 VanDerWaalsContact C-N 3.29Å; E632-D634 PolarHBondContact O-N 2.56Å; D634-A637 PolarHBondContact O-N 2.56Å; D634-Q638 VanDerWaalsContact O-CG 3.32Å; D634-Q638 WeakPolarHBondContact O-CG 3.43Å; D634-Q638 PolarHBondContact O-N 3.34Å; D634-Q638 VanDerWaalsContact O-N 3.09Å; D634-Q638 PolarHBondContact O-NE2 3.4Å
635	A	94	Very high	93.1	Very high	1 Å²	1	64 Å²	64	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-38.6	179.7	0	0	0	0	0	111.1	I610 V612 D616 L631 E632 Q638 A639	I610-A635 HydrophobicContact CG2-CB 4.16Å; V612-A635 HydrophobicContact CG1-CB 4.41Å; D616-A635 WeakPolarHBondContact OD2-CB 3.42Å; L631-A635 HydrophobicContact CB-CB 4.18Å; L631-A635 HydrophobicContact CD1-CB 4.22Å; E632-A635 PolarHBondContact O-N 2.82Å; A635-Q638 PolarHBondContact O-N 2.92Å; A635-A639 VanDerWaalsContact O-CB 3.26Å; A635-A639 WeakPolarHBondContact O-CB 3.39Å; A635-A639 PolarHBondContact O-N 3.18Å
636	H	94.9	Very high	93.3	Very high	35 Å²	35	60.1 Å²	60.1	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-43.5	174.6	178.1	82.6	0	0	0	112.2	L628 S629 L631 E632 A639 K640	L628-H636 PolarHBondContact O-ND1 3.32Å; S629-H636 VanDerWaalsContact CA-CE1 3.46Å; S629-H636 WeakPolarHBondContact CA-CE1 3.28Å; S629-H636 PolarHBondContact N-CE1 3.21Å; S629-H636 PolarHBondContact N-ND1 3.47Å; L631-H636 HydrophobicContact CB-CB 4.19Å; E632-H636 VanDerWaalsContact O-CB 3.24Å; E632-H636 WeakPolarHBondContact O-CB 3.34Å; E632-H636 PolarHBondContact O-N 3.25Å; H636-A639 PolarHBondContact O-N 3.28Å; H636-K640 VanDerWaalsContact CE1-CE 3.46Å; H636-K640 WeakPolarHBondContact CE1-CE 3.48Å; H636-K640 WeakPolarHBondContact NE2-CE 3.34Å; H636-K640 PolarHBondContact NE2-NZ 3.16Å; H636-K640 WeakPolarHBondContact O-CB 3.05Å; H636-K640 WeakPolarHBondContact O-CG 3.11Å; H636-K640 PolarHBondContact O-N 2.78Å
637	A	94.5	Very high	93.3	Very high	44 Å²	44	60.1 Å²	60.1	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-47.3	176.6	0	0	0	0	0	111.4	D633 D634 A639 K640 Q641	D633-A637 WeakPolarHBondContact O-CB 3.33Å; D633-A637 PolarHBondContact O-N 3.47Å; D634-A637 PolarHBondContact O-N 2.56Å; A637-A639 PolarHBondContact O-N 3.27Å; A637-K640 PolarHBondContact O-N 3.06Å; A637-Q641 WeakPolarHBondContact O-CG 3.43Å; A637-Q641 PolarHBondContact O-N 3.23Å
638	Q	94.9	Very high	93.4	Very high	50 Å²	50	54.7 Å²	54.7	23%	0.234	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.3	-72.7	168.8	76.1	0	0	111.4	I610 R611 D634 A635 K640 Q641 M642	I610-Q638 HydrophobicContact CG2-CB 4.16Å; R611-Q638 PolarHBondContact O-NE2 3.02Å; D634-Q638 VanDerWaalsContact O-CG 3.32Å; D634-Q638 WeakPolarHBondContact O-CG 3.43Å; D634-Q638 PolarHBondContact O-N 3.34Å; D634-Q638 VanDerWaalsContact O-N 3.09Å; D634-Q638 PolarHBondContact O-NE2 3.4Å; A635-Q638 PolarHBondContact O-N 2.92Å; Q638-K640 VanDerWaalsContact C-N 3.31Å; Q638-K640 PolarHBondContact O-N 2.63Å; Q638-Q641 PolarHBondContact O-N 3.1Å; Q638-M642 WeakPolarHBondContact O-CG 3.34Å; Q638-M642 PolarHBondContact O-N 3.25Å
639	A	93.1	Very high	93.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-33.1	-178.9	0	0	0	0	0	113.5	I610 L628 L631 A635 H636 A637 M642 R671	I610-A639 HydrophobicContact CD1-CB 3.81Å; L628-A639 HydrophobicContact CD2-CB 3.87Å; L631-A639 HydrophobicContact CD1-CB 4.41Å; A635-A639 VanDerWaalsContact O-CB 3.26Å; A635-A639 WeakPolarHBondContact O-CB 3.39Å; A635-A639 PolarHBondContact O-N 3.18Å; H636-A639 PolarHBondContact O-N 3.28Å; A637-A639 PolarHBondContact O-N 3.27Å; A639-M642 PolarHBondContact O-N 3.03Å; A639-R671 PolarHBondContact O-NE 2.86Å; A639-R671 PolarHBondContact O-NH2 3.22Å
640	K	92.6	Very high	93.6	Very high	125 Å²	125	52 Å²	52	54%	0.543	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-39.7	175.6	-84.6	-178.8	171.2	176.3	0	112.4	L628 H636 A637 Q638 M642 R671	L628-K640 HydrophobicContact CD1-CG 4.46Å; H636-K640 VanDerWaalsContact CE1-CE 3.46Å; H636-K640 WeakPolarHBondContact CE1-CE 3.48Å; H636-K640 WeakPolarHBondContact NE2-CE 3.34Å; H636-K640 PolarHBondContact NE2-NZ 3.16Å; H636-K640 WeakPolarHBondContact O-CB 3.05Å; H636-K640 WeakPolarHBondContact O-CG 3.11Å; H636-K640 PolarHBondContact O-N 2.78Å; A637-K640 PolarHBondContact O-N 3.06Å; Q638-K640 VanDerWaalsContact C-N 3.31Å; Q638-K640 PolarHBondContact O-N 2.63Å; K640-M642 VanDerWaalsContact C-N 3.25Å; K640-M642 PolarHBondContact O-N 3.08Å; K640-R671 PolarHBondContact O-NH2 3.37Å
641	Q	91.8	Very high	93.6	Very high	171 Å²	171	47.4 Å²	47.4	80%	0.799	25%	0.248	S	C	*	.	H	α-helix	trans	-72.3	-20	178.9	-67.1	175.9	11.4	0	0	112.7	A637 Q638	A637-Q641 WeakPolarHBondContact O-CG 3.43Å; A637-Q641 PolarHBondContact O-N 3.23Å; Q638-Q641 PolarHBondContact O-N 3.1Å
642	M	90.8	Very high	93.4	Very high	37 Å²	37	50.8 Å²	50.8	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-82.9	141.9	177.7	-72	-170	175.6	0	0	113.4	R608 I609 I610 Q638 A639 K640 I647 R671	R608-M642 VanDerWaalsContact CA-CE 3.43Å; I609-M642 VanDerWaalsContact O-CE 3.32Å; I609-M642 WeakPolarHBondContact O-CE 3.3Å; I610-M642 HydrophobicContact CD1-SD 3.85Å; I610-M642 HydrophobicContact CG1-CE 3.89Å; I610-M642 HydrophobicContact CG1-SD 3.51Å; I610-M642 VanDerWaalsContact CG1-SD 3.51Å; Q638-M642 WeakPolarHBondContact O-CG 3.34Å; Q638-M642 PolarHBondContact O-N 3.25Å; A639-M642 PolarHBondContact O-N 3.03Å; K640-M642 VanDerWaalsContact C-N 3.25Å; K640-M642 PolarHBondContact O-N 3.08Å; M642-I647 HydrophobicContact SD-CG2 4.09Å; M642-R671 PolarHBondContact O-NE 3.24Å; M642-R671 PolarHBondContact O-NH2 2.98Å
643	G	90	Very high	92.9	Very high	44 Å²	44	47.7 Å²	47.7	45%	0.454	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-69	162.6	168.8	0	0	0	0	0	112.7	R608 R671	R608-G643 PolarHBondContact NH2-O 3.47Å; G643-R671 WeakPolarHBondContact O-CD 3.38Å
644	M	92.3	Very high	92.5	Very high	62 Å²	62	44.5 Å²	44.5	31%	0.305	24%	0.237	S	C	.	.	S	Bend	trans	-59.2	153.2	177	-67.7	176.4	61.8	0	0	112.1	F587 R608 R671 K673	F587-M644 HydrophobicContact CD1-CB 3.89Å; F587-M644 HydrophobicContact CD1-CE 4.08Å; F587-M644 HydrophobicContact CE1-CB 4.48Å; F587-M644 HydrophobicContact CE1-CE 3.52Å; F587-M644 HydrophobicContact CE1-SD 4.29Å; F587-M644 HydrophobicContact CZ-CE 4.22Å; R608-M644 PolarHBondContact NH1-O 2.84Å; R608-M644 PolarHBondContact NH2-O 3.45Å; M644-R671 CarbonylContact C-O 3.58Å; M644-R671 VanDerWaalsContact CA-O 3.29Å; M644-R671 WeakPolarHBondContact CA-O 3.43Å; M644-R671 VanDerWaalsContact CG-NH1 3.31Å; M644-K673 HydrophobicContact CE-CB 4.44Å; M644-K673 HydrophobicContact SD-CB 4.15Å
645	G	92.9	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.1	-166.4	174.3	0	0	0	0	0	114.6	R671	G645-R671 PolarHBondContact N-O 3.15Å; G645-R671 PolarHBondContact O-N 3.06Å
646	S	94.5	Very high	91.6	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	141	-174.4	176.4	0	0	0	0	112.3	Y527 L593 R608 G669	Y527-S646 WeakPolarHBondContact OH-CB 3.41Å; Y527-S646 PolarHBondContact OH-OG 2.9Å; L593-S646 PolarHBondContact N-OG 3.21Å; R608-S646 PolarHBondContact NE-O 3.07Å; R608-S646 PolarHBondContact NH2-O 3.29Å; S646-G669 WeakPolarHBondContact CA-O 3.39Å
647	I	95.1	Very high	91	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.9	-175.8	54.4	162.4	0	0	0	110.8	R608 I610 M642 L649 G669 R671 I676	R608-I647 HydrophobicContact CB-CG2 4.34Å; R608-I647 WeakPolarHBondContact O-CA 3.45Å; I610-I647 HydrophobicContact CD1-CD1 3.67Å; I610-I647 HydrophobicContact CG1-CD1 4.47Å; M642-I647 HydrophobicContact SD-CG2 4.09Å; I647-L649 HydrophobicContact CD1-CD2 3.86Å; I647-L649 HydrophobicContact CD1-CG 4.19Å; I647-G669 PolarHBondContact N-O 2.87Å; I647-G669 PolarHBondContact O-N 2.83Å; I647-R671 HydrophobicContact CD1-CB 4.16Å; I647-R671 HydrophobicContact CG1-CB 4.49Å; I647-R671 HydrophobicContact CG2-CB 4Å; I647-I676 HydrophobicContact CD1-CD1 3.67Å; I647-I676 HydrophobicContact CD1-CG1 3.89Å
648	V	96.1	Very high	90.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.9	168.1	-176.4	0	0	0	0	108.6	L593 I598 I605 R608 I609 I610	L593-V648 HydrophobicContact CD1-CG2 3.44Å; L593-V648 VanDerWaalsContact CD1-CG2 3.44Å; I598-V648 HydrophobicContact CD1-CG1 4.26Å; I598-V648 HydrophobicContact CD1-CG2 3.95Å; I605-V648 HydrophobicContact CD1-CG2 4.1Å; I605-V648 HydrophobicContact CG2-CG2 4.41Å; R608-V648 PolarHBondContact O-N 3.33Å; I609-V648 CarbonylContact C-O 3.58Å; I609-V648 WeakPolarHBondContact CA-O 3.5Å; I609-V648 HydrophobicContact CG1-CB 4.16Å; I610-V648 PolarHBondContact N-O 3.06Å
649	L	95.6	Very high	89.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.3	172.5	-60.1	157.7	0	0	0	106.8	I610 V612 L620 I647 L667 I676 A678	I610-L649 HydrophobicContact CB-CD2 4.24Å; V612-L649 HydrophobicContact CG1-CB 4.34Å; V612-L649 HydrophobicContact CG1-CD2 3.78Å; V612-L649 HydrophobicContact CG2-CB 4.36Å; L620-L649 HydrophobicContact CD1-CD1 4.03Å; L620-L649 HydrophobicContact CD1-CD2 4.09Å; L620-L649 HydrophobicContact CD2-CD1 4.36Å; I647-L649 HydrophobicContact CD1-CD2 3.86Å; I647-L649 HydrophobicContact CD1-CG 4.19Å; L649-L667 HydrophobicContact CB-CB 4.18Å; L649-L667 HydrophobicContact CD1-CB 4.35Å; L649-L667 PolarHBondContact N-O 3.01Å; L649-L667 PolarHBondContact O-N 3.48Å; L649-I676 HydrophobicContact CD2-CD1 3.86Å; L649-A678 HydrophobicContact CD1-CB 4.2Å
650	K	94.4	Very high	88.7	Confident	47 Å²	47	58.9 Å²	58.9	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.9	-173	-173.4	174.2	-177.2	167.3	0	110.4	I609 I610 R611 V612 I652	I609-K650 HydrophobicContact CG2-CB 3.82Å; I609-K650 HydrophobicContact CG2-CD 4.29Å; I610-K650 PolarHBondContact O-N 2.87Å; R611-K650 WeakPolarHBondContact CA-O 3.49Å; V612-K650 PolarHBondContact N-O 3.13Å; V612-K650 VanDerWaalsContact N-O 3.09Å; K650-I652 HydrophobicContact CD-CG1 4.46Å; K650-I652 HydrophobicContact CG-CG1 4.26Å
651	Y	92.3	Very high	88.1	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134	165.7	173	-104.7	0	0	0	109.6	V612 V614 I617 P653 E660 P661 I665	V612-Y651 WeakPolarHBondContact O-CD2 3.43Å; V614-Y651 HydrophobicContact CG2-CD2 4.33Å; V614-Y651 HydrophobicContact CG2-CE2 3.58Å; I617-Y651 VanDerWaalsContact CD1-CB 3.49Å; I617-Y651 HydrophobicContact CD1-CD2 4.17Å; I617-Y651 HydrophobicContact CD1-CG 3.85Å; Y651-P653 HydrophobicContact CE1-CB 4.45Å; Y651-P653 HydrophobicContact CE1-CG 4.21Å; Y651-E660 WeakPolarHBondContact OH-CB 3.49Å; Y651-E660 PolarHBondContact OH-OE2 3.35Å; Y651-P661 HydrophobicContact CE1-CB 4.28Å; Y651-P661 WeakPolarHBondContact CE1-O 3.29Å; Y651-P661 PolarHBondContact OH-O 3.07Å; Y651-I665 HydrophobicContact CD1-CB 4.43Å; Y651-I665 HydrophobicContact CD1-CD1 4.32Å; Y651-I665 HydrophobicContact CD1-CG1 4.31Å; Y651-I665 PolarHBondContact N-O 3.44Å; Y651-I665 PolarHBondContact O-N 3.06Å
652	I	89.7	Confident	87.7	Confident	83 Å²	83	49.1 Å²	49.1	43%	0.426	29%	0.286	S	S	.	.			trans	-114.8	121.3	176.1	-59.9	175.8	0	0	0	106.3	K650	K650-I652 HydrophobicContact CD-CG1 4.46Å; K650-I652 HydrophobicContact CG-CG1 4.26Å
653	P	86.1	Confident	87.3	Confident	28 Å²	28	47.3 Å²	47.3	18%	0.182	28%	0.277	C	S	.	.			trans	-57.4	142.1	179.4	-27.7	37.4	0	0	0	112	Y651 P655 Q662 C663	Y651-P653 HydrophobicContact CE1-CB 4.45Å; Y651-P653 HydrophobicContact CE1-CG 4.21Å; P653-P655 WeakPolarHBondContact O-CD 3.36Å; P653-Q662 VanDerWaalsContact CG-C 3.49Å; P653-C663 WeakPolarHBondContact CG-O 2.95Å
654	N	84.9	Confident	87	Confident	68 Å²	68	47.6 Å²	47.6	36%	0.364	27%	0.271	S	S	.	.			trans	-96.9	109.4	170.2	-175.1	-5.8	0	0	0	109.5	N656 N657	N654-N656 PolarHBondContact O-N 3.41Å; N654-N656 WeakPolarHBondContact OD1-CB 3.44Å; N654-N656 PolarHBondContact OD1-N 2.76Å; N654-N656 VanDerWaalsContact OD1-N 3.1Å; N654-N657 HydrophobicContact CB-CB 4.46Å; N654-N657 PolarHBondContact O-N 2.9Å; N654-N657 VanDerWaalsContact O-N 3.08Å
655	P	82.6	Confident	86.9	Confident	106 Å²	106	44.7 Å²	44.7	69%	0.688	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.6	-179	-22.8	33.9	0	0	0	113.8	P653	P653-P655 WeakPolarHBondContact O-CD 3.36Å
656	N	84.9	Confident	86.8	Confident	145 Å²	145	45.5 Å²	45.5	78%	0.775	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.9	-178.2	-59.7	-45.4	0	0	0	113.4	N654 P658	N654-N656 PolarHBondContact O-N 3.41Å; N654-N656 WeakPolarHBondContact OD1-CB 3.44Å; N654-N656 PolarHBondContact OD1-N 2.76Å; N654-N656 VanDerWaalsContact OD1-N 3.1Å; N656-P658 WeakPolarHBondContact O-CD 3.42Å
657	N	82.1	Confident	86.7	Confident	48 Å²	48	45.5 Å²	45.5	26%	0.257	26%	0.26	S	S	.	.			trans	-118.6	90.3	178.8	-170.4	-0	0	0	0	111.4	N654 S659 E660 Q662	N654-N657 HydrophobicContact CB-CB 4.46Å; N654-N657 PolarHBondContact O-N 2.9Å; N654-N657 VanDerWaalsContact O-N 3.08Å; N657-S659 PolarHBondContact ND2-OG 2.95Å; N657-S659 PolarHBondContact O-N 3.17Å; N657-S659 VanDerWaalsContact O-N 3.15Å; N657-S659 PolarHBondContact OD1-N 3.12Å; N657-S659 PolarHBondContact OD1-OG 3.07Å; N657-E660 WeakPolarHBondContact ND2-CG 3.18Å; N657-E660 PolarHBondContact ND2-OE1 3.44Å; N657-E660 PolarHBondContact O-N 3.25Å; N657-Q662 PolarHBondContact O-NE2 2.95Å
658	P	77.4	Confident	86.7	Confident	113 Å²	113	45.5 Å²	45.5	73%	0.734	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-10	-178.5	29	-35.4	0	0	0	114	N656 E660	N656-P658 WeakPolarHBondContact O-CD 3.42Å; P658-E660 VanDerWaalsContact C-N 3.28Å
659	S	75.9	Confident	86.6	Confident	104 Å²	104	45.4 Å²	45.4	73%	0.727	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.4	176.1	70.5	0	0	0	0	113.5	N657	N657-S659 PolarHBondContact ND2-OG 2.95Å; N657-S659 PolarHBondContact O-N 3.17Å; N657-S659 VanDerWaalsContact O-N 3.15Å; N657-S659 PolarHBondContact OD1-N 3.12Å; N657-S659 PolarHBondContact OD1-OG 3.07Å
660	E	81.5	Confident	86.6	Confident	46 Å²	46	47.6 Å²	47.6	22%	0.215	27%	0.268	C	S	.	.	S	Bend	trans	-95.9	159.4	176.3	-68.8	179.4	-144.3	0	0	112.1	V614 Y651 N657 P658 Q662	V614-E660 HydrophobicContact CG2-CB 4.2Å; V614-E660 HydrophobicContact CG2-CG 3.89Å; Y651-E660 WeakPolarHBondContact OH-CB 3.49Å; Y651-E660 PolarHBondContact OH-OE2 3.35Å; N657-E660 WeakPolarHBondContact ND2-CG 3.18Å; N657-E660 PolarHBondContact ND2-OE1 3.44Å; N657-E660 PolarHBondContact O-N 3.25Å; P658-E660 VanDerWaalsContact C-N 3.28Å; E660-Q662 PolarHBondContact O-N 3.47Å; E660-Q662 PolarHBondContact O-NE2 3.43Å
661	P	80.3	Confident	86.6	Confident	10 Å²	10	46.7 Å²	46.7	7%	0.065	26%	0.263	C	S	.	.			trans	-56.3	126.9	175.3	-22	32.3	0	0	0	111.7	Y651 C663 L692	Y651-P661 HydrophobicContact CE1-CB 4.28Å; Y651-P661 WeakPolarHBondContact CE1-O 3.29Å; Y651-P661 PolarHBondContact OH-O 3.07Å; P661-C663 PolarHBondContact O-N 2.94Å; P661-L692 HydrophobicContact CG-CD2 3.61Å
662	Q	82.8	Confident	86.5	Confident	81 Å²	81	46.8 Å²	46.8	38%	0.379	27%	0.266	S	S	.	.	S	Bend	trans	-84.9	15	179.1	-62.1	-55.9	-58.3	0	0	112.8	P653 N657 E660	P653-Q662 VanDerWaalsContact CG-C 3.49Å; N657-Q662 PolarHBondContact O-NE2 2.95Å; E660-Q662 PolarHBondContact O-N 3.47Å; E660-Q662 PolarHBondContact O-NE2 3.43Å
663	C	81	Confident	86.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-122	136.6	-176.4	49.2	0	0	0	0	112.2	S75 H76 P653 P661 I665	S75-C663 VanDerWaalsContact CB-CB 3.45Å; S75-C663 WeakPolarHBondContact OG-CB 3.34Å; H76-C663 VanDerWaalsContact CD2-CB 3.46Å; H76-C663 WeakPolarHBondContact CD2-CB 3.4Å; H76-C663 PolarHBondContact CD2-SG 3.44Å; P653-C663 WeakPolarHBondContact CG-O 2.95Å; P661-C663 PolarHBondContact O-N 2.94Å; C663-I665 PolarHBondContact O-N 3.4Å
664	P	85.6	Confident	86.9	Confident	50 Å²	50	53.5 Å²	53.5	33%	0.325	30%	0.296	S	S	.	.			trans	-67.9	132.5	177.8	27.5	-34.1	0	0	0	111
665	I	89.1	Confident	87.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.4	177.5	-60.9	169.3	0	0	0	108.9	I617 Y651 C663 L667 Y688 L692	I617-I665 HydrophobicContact CD1-CB 4.47Å; I617-I665 HydrophobicContact CD1-CD1 4.27Å; Y651-I665 HydrophobicContact CD1-CB 4.43Å; Y651-I665 HydrophobicContact CD1-CD1 4.32Å; Y651-I665 HydrophobicContact CD1-CG1 4.31Å; Y651-I665 PolarHBondContact N-O 3.44Å; Y651-I665 PolarHBondContact O-N 3.06Å; C663-I665 PolarHBondContact O-N 3.4Å; I665-L667 HydrophobicContact CG2-CD1 4.49Å; I665-L667 HydrophobicContact CG2-CD2 3.67Å; I665-L667 HydrophobicContact CG2-CG 3.94Å; I665-Y688 HydrophobicContact CD1-CD1 4.27Å; I665-Y688 HydrophobicContact CG1-CD1 4.29Å; I665-Y688 HydrophobicContact CG1-CE1 4.46Å; I665-Y688 HydrophobicContact CG2-CD1 3.69Å; I665-Y688 HydrophobicContact CG2-CE1 3.66Å; I665-L692 HydrophobicContact CD1-CD2 4.46Å
666	Q	90.3	Very high	87.9	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.4	179.5	-56.8	-177	17.5	0	0	110.5	Q595 I598 Y599 Q602	Q595-Q666 PolarHBondContact NE2-O 2.97Å; Q595-Q666 VanDerWaalsContact NE2-O 3.09Å; I598-Q666 HydrophobicContact CG1-CB 4.2Å; I598-Q666 HydrophobicContact CG2-CB 4.41Å; Y599-Q666 HydrophobicContact CD1-CG 4.48Å; Y599-Q666 HydrophobicContact CE1-CB 4.08Å; Y599-Q666 HydrophobicContact CE1-CG 4.04Å; Q602-Q666 VanDerWaalsContact CG-OE1 3.25Å
667	L	94	Very high	88.4	Confident	2 Å²	2	44 Å²	44	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.5	179.8	-45	177.5	0	0	0	110.4	I617 L621 L649 I665 V680 Y688	I617-L667 HydrophobicContact CG2-CD1 4.16Å; L621-L667 HydrophobicContact CD2-CD1 3.97Å; L621-L667 HydrophobicContact CG-CD1 4.42Å; L649-L667 HydrophobicContact CB-CB 4.18Å; L649-L667 HydrophobicContact CD1-CB 4.35Å; L649-L667 PolarHBondContact N-O 3.01Å; L649-L667 PolarHBondContact O-N 3.48Å; I665-L667 HydrophobicContact CG2-CD1 4.49Å; I665-L667 HydrophobicContact CG2-CD2 3.67Å; I665-L667 HydrophobicContact CG2-CG 3.94Å; L667-V680 HydrophobicContact CB-CG2 4.04Å; L667-V680 HydrophobicContact CD1-CG2 4.2Å; L667-V680 HydrophobicContact CD2-CG2 3.77Å; L667-V680 HydrophobicContact CG-CG2 4.21Å; L667-Y688 HydrophobicContact CD2-CD1 4.47Å; L667-Y688 HydrophobicContact CD2-CD2 3.91Å; L667-Y688 HydrophobicContact CD2-CE1 4.19Å; L667-Y688 HydrophobicContact CD2-CE2 3.63Å; L667-Y688 HydrophobicContact CD2-CG 4.36Å
668	C	94.9	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.9	165.1	-67.7	0	0	0	0	109.4	L593 A594 F679	L593-C668 HydrophobicContact CB-CB 4.32Å; L593-C668 VanDerWaalsContact CB-SG 3.57Å; A594-C668 VanDerWaalsContact C-SG 3.53Å; C668-F679 HydrophobicContact CB-CB 4.43Å; C668-F679 PolarHBondContact O-N 3.47Å
669	G	94	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	178.8	176.6	0	0	0	0	0	114.2	S646 I647 R677	S646-G669 WeakPolarHBondContact CA-O 3.39Å; I647-G669 PolarHBondContact N-O 2.87Å; I647-G669 PolarHBondContact O-N 2.83Å; G669-R677 CarbonylContact C-O 3.56Å; G669-R677 WeakPolarHBondContact CA-O 3.27Å
670	W	94	Very high	90.2	Very high	46 Å²	46	34.4 Å²	34.4	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.5	174.1	-172.5	-89.6	0	0	0	110.3	N581 F587 I676 R677 F679	N581-W670 VanDerWaalsContact ND2-CH2 3.32Å; N581-W670 WeakPolarHBondContact ND2-CH2 3.37Å; F587-W670 AromaticContact CD2-CH2 3.95Å; F587-W670 HydrophobicContact CD2-CH2 3.95Å; F587-W670 AromaticContact CD2-CZ2 3.78Å; F587-W670 HydrophobicContact CD2-CZ2 3.78Å; F587-W670 HydrophobicContact CE2-CZ2 4.1Å; F587-W670 HydrophobicContact CG-CZ2 4.29Å; W670-I676 CarbonylContact O-C 3.42Å; W670-I676 WeakPolarHBondContact O-CA 3.2Å; W670-R677 PolarHBondContact N-O 3.34Å; W670-R677 PolarHBondContact O-N 2.96Å; W670-F679 HydrophobicContact CB-CD2 4.45Å; W670-F679 HydrophobicContact CB-CE1 4.42Å; W670-F679 HydrophobicContact CB-CE2 3.57Å; W670-F679 HydrophobicContact CB-CZ 3.53Å; W670-F679 HydrophobicContact CE3-CE2 4.23Å; W670-F679 HydrophobicContact CG-CE2 4.35Å; W670-F679 HydrophobicContact CG-CZ 4.19Å
671	R	94.2	Very high	90.5	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.109	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.6	173.2	-171.3	-92.6	-177.4	-164.6	18.9	108.9	A639 K640 M642 G643 M644 G645 I647	A639-R671 PolarHBondContact O-NE 2.86Å; A639-R671 PolarHBondContact O-NH2 3.22Å; K640-R671 PolarHBondContact O-NH2 3.37Å; M642-R671 PolarHBondContact O-NE 3.24Å; M642-R671 PolarHBondContact O-NH2 2.98Å; G643-R671 WeakPolarHBondContact O-CD 3.38Å; M644-R671 CarbonylContact C-O 3.58Å; M644-R671 VanDerWaalsContact CA-O 3.29Å; M644-R671 WeakPolarHBondContact CA-O 3.43Å; M644-R671 VanDerWaalsContact CG-NH1 3.31Å; G645-R671 PolarHBondContact N-O 3.15Å; G645-R671 PolarHBondContact O-N 3.06Å; I647-R671 HydrophobicContact CD1-CB 4.16Å; I647-R671 HydrophobicContact CG1-CB 4.49Å; I647-R671 HydrophobicContact CG2-CB 4Å
672	G	91.4	Very high	90.7	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	20%	0.202	C	C	.	.			trans	-83.5	-165.4	173.6	0	0	0	0	0	112.3	S675	G672-S675 WeakPolarHBondContact CA-O 3.11Å; G672-S675 PolarHBondContact N-O 3.06Å
673	K	90.8	Very high	90.7	Very high	168 Å²	168	40.3 Å²	40.3	73%	0.73	20%	0.195	S	C	*	.	S	Bend	trans	-71.2	-45.1	177.8	-172.7	176.8	-179.8	177.3	0	112	M644	M644-K673 HydrophobicContact CE-CB 4.44Å; M644-K673 HydrophobicContact SD-CB 4.15Å
674	T	92.5	Very high	90.9	Very high	83 Å²	83	41.8 Å²	41.8	51%	0.509	20%	0.202	S	C	.	.	S	Bend	trans	-129.2	-0.8	-178.2	54.3	0	0	0	0	112.8	F627 L628	F627-T674 WeakPolarHBondContact CA-O 3.37Å; L628-T674 PolarHBondContact N-O 2.99Å
675	S	94.8	Very high	91.1	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-126.9	163.7	-175.7	61	0	0	0	0	111.8	P626 G672	P626-S675 CarbonylContact O-C 3.5Å; P626-S675 WeakPolarHBondContact O-CA 3.42Å; P626-S675 WeakPolarHBondContact O-CB 3.23Å; G672-S675 WeakPolarHBondContact CA-O 3.11Å; G672-S675 PolarHBondContact N-O 3.06Å
676	I	94.8	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	173.4	-168	167.4	0	0	0	108.2	I610 L620 P626 L628 L631 I647 L649 W670	I610-I676 HydrophobicContact CD1-CD1 4.07Å; L620-I676 HydrophobicContact CD2-CB 4.47Å; L620-I676 HydrophobicContact CD2-CD1 4.46Å; L620-I676 HydrophobicContact CD2-CG1 4.18Å; L620-I676 HydrophobicContact CD2-CG2 3.67Å; P626-I676 WeakPolarHBondContact CD-O 3.15Å; P626-I676 HydrophobicContact CG-CG2 3.94Å; P626-I676 VanDerWaalsContact CG-O 3.3Å; P626-I676 WeakPolarHBondContact CG-O 3.43Å; P626-I676 PolarHBondContact O-N 3.22Å; L628-I676 HydrophobicContact CD2-CB 3.75Å; L628-I676 HydrophobicContact CD2-CG2 4.1Å; L631-I676 HydrophobicContact CD1-CD1 4.01Å; L631-I676 HydrophobicContact CD1-CG2 4.1Å; L631-I676 HydrophobicContact CD2-CG2 4.3Å; L631-I676 HydrophobicContact CG-CG2 4.35Å; I647-I676 HydrophobicContact CD1-CD1 3.67Å; I647-I676 HydrophobicContact CD1-CG1 3.89Å; L649-I676 HydrophobicContact CD2-CD1 3.86Å; W670-I676 CarbonylContact O-C 3.42Å; W670-I676 WeakPolarHBondContact O-CA 3.2Å
677	R	93.9	Very high	90.8	Very high	91 Å²	91	42.9 Å²	42.9	34%	0.343	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136	-178.5	172.2	166.4	-176.8	-176.4	8.9	110.7	E624 N625 G669 W670 F679	E624-R677 VanDerWaalsContact O-CD 3.31Å; E624-R677 WeakPolarHBondContact O-CD 3.5Å; E624-R677 WeakPolarHBondContact O-CG 3.45Å; N625-R677 VanDerWaalsContact OD1-CD 3.31Å; N625-R677 WeakPolarHBondContact OD1-CD 3.45Å; G669-R677 CarbonylContact C-O 3.56Å; G669-R677 WeakPolarHBondContact CA-O 3.27Å; W670-R677 PolarHBondContact N-O 3.34Å; W670-R677 PolarHBondContact O-N 2.96Å; R677-F679 HydrophobicContact CG-CD1 4.05Å; R677-F679 HydrophobicContact CG-CE1 3.89Å
678	A	93.9	Very high	90.5	Very high	6 Å²	6	43 Å²	43	5%	0.05	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.6	168.6	0	0	0	0	0	111	L620 L621 L649 V680	L620-A678 HydrophobicContact CB-CB 4.31Å; L621-A678 HydrophobicContact CD2-CB 4.47Å; L649-A678 HydrophobicContact CD1-CB 4.2Å; A678-V680 HydrophobicContact CB-CG2 4.19Å; A678-V680 PolarHBondContact O-N 3.39Å
679	F	91.6	Very high	90.1	Very high	48 Å²	48	43.3 Å²	43.3	21%	0.211	20%	0.202	C	C	.	.			trans	-101.7	65.5	176.6	-68.6	-33.4	0	0	0	110.9	C668 W670 R677	C668-F679 HydrophobicContact CB-CB 4.43Å; C668-F679 PolarHBondContact O-N 3.47Å; W670-F679 HydrophobicContact CB-CD2 4.45Å; W670-F679 HydrophobicContact CB-CE1 4.42Å; W670-F679 HydrophobicContact CB-CE2 3.57Å; W670-F679 HydrophobicContact CB-CZ 3.53Å; W670-F679 HydrophobicContact CE3-CE2 4.23Å; W670-F679 HydrophobicContact CG-CE2 4.35Å; W670-F679 HydrophobicContact CG-CZ 4.19Å; R677-F679 HydrophobicContact CG-CD1 4.05Å; R677-F679 HydrophobicContact CG-CE1 3.89Å
680	V	89.4	Confident	89.7	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.055	21%	0.207	C	C	.	.			trans	-107.5	130.6	179	-174	0	0	0	0	109.1	L621 L667 A678 E684 R685 Y688	L621-V680 HydrophobicContact CD2-CB 4.27Å; L621-V680 HydrophobicContact CD2-CG2 3.98Å; L667-V680 HydrophobicContact CB-CG2 4.04Å; L667-V680 HydrophobicContact CD1-CG2 4.2Å; L667-V680 HydrophobicContact CD2-CG2 3.77Å; L667-V680 HydrophobicContact CG-CG2 4.21Å; A678-V680 HydrophobicContact CB-CG2 4.19Å; A678-V680 PolarHBondContact O-N 3.39Å; V680-E684 HydrophobicContact CG1-CB 3.65Å; V680-R685 HydrophobicContact CG1-CB 4.29Å; V680-Y688 HydrophobicContact CG1-CD2 3.92Å; V680-Y688 HydrophobicContact CG1-CE2 3.79Å
681	P	87.4	Confident	89.1	Confident	61 Å²	61	44.2 Å²	44.2	40%	0.396	21%	0.207	S	C	.	.			trans	-53.5	150.2	171.8	-25.7	35.2	0	0	0	111.8	N683 E684 R685	P681-N683 VanDerWaalsContact C-N 3.25Å; P681-N683 PolarHBondContact O-N 2.82Å; P681-E684 PolarHBondContact O-N 3.17Å; P681-R685 WeakPolarHBondContact O-CB 3.41Å; P681-R685 PolarHBondContact O-N 3.39Å
682	R	85.1	Confident	88.6	Confident	157 Å²	157	43.5 Å²	43.5	59%	0.592	21%	0.206	S	C	*	.	H	α-helix	trans	-55.1	-40.4	-175.6	-176.1	179.8	179.5	179.9	0.5	112.9	R685 F686	R682-R685 WeakPolarHBondContact O-CB 3.31Å; R682-R685 PolarHBondContact O-N 3.39Å; R682-F686 HydrophobicContact CG-CE2 3.78Å; R682-F686 HydrophobicContact CG-CZ 4.04Å; R682-F686 VanDerWaalsContact O-CD2 3.29Å; R682-F686 WeakPolarHBondContact O-CD2 3.49Å; R682-F686 PolarHBondContact O-N 3.09Å
683	N	82.5	Confident	87.9	Confident	42 Å²	42	46.3 Å²	46.3	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-74.1	-44.2	-174.7	-58.7	-18.8	0	0	0	111.3	E144 S145 P681 R685 F686 H687	E144-N683 HydrophobicContact CB-CB 4.02Å; E144-N683 WeakPolarHBondContact CB-ND2 3.32Å; E144-N683 PolarHBondContact OE2-ND2 3.05Å; E144-N683 PolarHBondContact OE2-OD1 3.03Å; E144-N683 VanDerWaalsContact OE2-OD1 3.07Å; S145-N683 PolarHBondContact OG-O 3.21Å; S145-N683 VanDerWaalsContact OG-O 3.13Å; P681-N683 VanDerWaalsContact C-N 3.25Å; P681-N683 PolarHBondContact O-N 2.82Å; N683-R685 VanDerWaalsContact C-N 3.29Å; N683-R685 PolarHBondContact O-N 3.24Å; N683-F686 PolarHBondContact O-N 3.23Å; N683-H687 PolarHBondContact O-N 3.16Å
684	E	85.3	Confident	87.4	Confident	32 Å²	32	40.5 Å²	40.5	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-36.2	172.6	-76.6	-175.3	-125	0	0	112.5	S145 V680 P681 F686 H687 Y688	S145-E684 PolarHBondContact OG-N 3.22Å; V680-E684 HydrophobicContact CG1-CB 3.65Å; P681-E684 PolarHBondContact O-N 3.17Å; E684-F686 VanDerWaalsContact C-N 3.29Å; E684-F686 PolarHBondContact O-N 2.71Å; E684-H687 WeakPolarHBondContact O-CB 3.1Å; E684-H687 PolarHBondContact O-N 3Å; E684-H687 VanDerWaalsContact O-N 3.13Å; E684-Y688 HydrophobicContact CB-CD2 4.38Å; E684-Y688 HydrophobicContact CB-CE2 3.95Å; E684-Y688 WeakPolarHBondContact O-CD2 3.32Å; E684-Y688 PolarHBondContact O-N 3.06Å; E684-Y688 PolarHBondContact OE2-OH 2.99Å
685	R	88.4	Confident	86.1	Confident	60 Å²	60	41.2 Å²	41.2	23%	0.226	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-42.4	176.2	177.1	-171.4	-62.2	-178.7	8.7	111.9	L621 V680 P681 R682 N683 H687 Y688 L689	L621-R685 HydrophobicContact CB-CG 4.08Å; L621-R685 HydrophobicContact CD2-CG 4.18Å; L621-R685 WeakPolarHBondContact O-CD 3.29Å; V680-R685 HydrophobicContact CG1-CB 4.29Å; P681-R685 WeakPolarHBondContact O-CB 3.41Å; P681-R685 PolarHBondContact O-N 3.39Å; R682-R685 WeakPolarHBondContact O-CB 3.31Å; R682-R685 PolarHBondContact O-N 3.39Å; N683-R685 VanDerWaalsContact C-N 3.29Å; N683-R685 PolarHBondContact O-N 3.24Å; R685-H687 VanDerWaalsContact C-N 3.32Å; R685-Y688 PolarHBondContact O-N 2.63Å; R685-L689 HydrophobicContact CG-CD1 3.94Å; R685-L689 WeakPolarHBondContact O-CB 3.44Å; R685-L689 WeakPolarHBondContact O-CG 3.36Å; R685-L689 PolarHBondContact O-N 2.84Å
686	F	86.3	Confident	84.8	Confident	25 Å²	25	41.6 Å²	41.6	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-38.8	177.2	-63.9	-46.9	0	0	0	111.9	R682 N683 E684 R690 V696	R682-F686 HydrophobicContact CG-CE2 3.78Å; R682-F686 HydrophobicContact CG-CZ 4.04Å; R682-F686 VanDerWaalsContact O-CD2 3.29Å; R682-F686 WeakPolarHBondContact O-CD2 3.49Å; R682-F686 PolarHBondContact O-N 3.09Å; N683-F686 PolarHBondContact O-N 3.23Å; E684-F686 VanDerWaalsContact C-N 3.29Å; E684-F686 PolarHBondContact O-N 2.71Å; F686-R690 VanDerWaalsContact O-CB 3.32Å; F686-R690 WeakPolarHBondContact O-CB 3.47Å; F686-R690 PolarHBondContact O-N 3.3Å; F686-V696 HydrophobicContact CD1-CB 3.73Å; F686-V696 HydrophobicContact CD1-CG1 3.42Å; F686-V696 VanDerWaalsContact CD1-CG1 3.42Å; F686-V696 HydrophobicContact CD1-CG2 4.47Å; F686-V696 HydrophobicContact CE1-CB 4.19Å; F686-V696 HydrophobicContact CE1-CG1 3.37Å
687	H	87	Confident	83.2	Confident	4 Å²	4	44 Å²	44	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-52.8	174.8	170.8	68.9	0	0	0	111.6	H76 E142 N147 N683 E684 R685 L689 R690 L691	H76-H687 AromaticContact CE1-NE2 3.89Å; H76-H687 AromaticContact CG-NE2 3.93Å; H76-H687 AromaticContact ND1-CD2 3.99Å; H76-H687 AromaticContact ND1-CE1 3.96Å; H76-H687 AromaticContact ND1-NE2 3Å; H76-H687 PolarHBondContact ND1-NE2 2.69Å; E142-H687 IonicContact OE1-CG 3.72Å; E142-H687 IonicContact OE1-ND1 3.76Å; E142-H687 PolarHBondContact OE1-ND1 3.14Å; E142-H687 IonicContact OE2-CE1 3.02Å; E142-H687 IonicContact OE2-CG 2.61Å; E142-H687 IonicContact OE2-ND1 3.11Å; E142-H687 PolarHBondContact OE2-ND1 3.42Å; N147-H687 PolarHBondContact ND2-CD2 3.1Å; N147-H687 PolarHBondContact ND2-CE1 3.4Å; N147-H687 PolarHBondContact ND2-ND1 3.41Å; N147-H687 PolarHBondContact ND2-NE2 3.46Å; N683-H687 PolarHBondContact O-N 3.16Å; E684-H687 WeakPolarHBondContact O-CB 3.1Å; E684-H687 PolarHBondContact O-N 3Å; E684-H687 VanDerWaalsContact O-N 3.13Å; R685-H687 VanDerWaalsContact C-N 3.32Å; H687-L689 PolarHBondContact O-N 3.27Å; H687-R690 WeakPolarHBondContact O-CB 3.24Å; H687-R690 PolarHBondContact O-N 3.1Å; H687-L691 WeakPolarHBondContact NE2-CD1 3.32Å; H687-L691 PolarHBondContact O-N 2.85Å
688	Y	87.9	Confident	81.5	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-42	179.4	-65.4	-63.6	0	0	0	112.6	H76 L621 I665 L667 V680 E684 R685 R690 L691 L692	H76-Y688 AromaticContact CE1-CE1 3.86Å; L621-Y688 VanDerWaalsContact CD1-CB 3.43Å; L621-Y688 HydrophobicContact CD1-CG 4.37Å; I665-Y688 HydrophobicContact CD1-CD1 4.27Å; I665-Y688 HydrophobicContact CG1-CD1 4.29Å; I665-Y688 HydrophobicContact CG1-CE1 4.46Å; I665-Y688 HydrophobicContact CG2-CD1 3.69Å; I665-Y688 HydrophobicContact CG2-CE1 3.66Å; L667-Y688 HydrophobicContact CD2-CD1 4.47Å; L667-Y688 HydrophobicContact CD2-CD2 3.91Å; L667-Y688 HydrophobicContact CD2-CE1 4.19Å; L667-Y688 HydrophobicContact CD2-CE2 3.63Å; L667-Y688 HydrophobicContact CD2-CG 4.36Å; V680-Y688 HydrophobicContact CG1-CD2 3.92Å; V680-Y688 HydrophobicContact CG1-CE2 3.79Å; E684-Y688 HydrophobicContact CB-CD2 4.38Å; E684-Y688 HydrophobicContact CB-CE2 3.95Å; E684-Y688 WeakPolarHBondContact O-CD2 3.32Å; E684-Y688 PolarHBondContact O-N 3.06Å; E684-Y688 PolarHBondContact OE2-OH 2.99Å; R685-Y688 PolarHBondContact O-N 2.63Å; Y688-R690 VanDerWaalsContact C-N 3.27Å; Y688-R690 PolarHBondContact O-N 2.77Å; Y688-L691 HydrophobicContact CD1-CD1 4.48Å; Y688-L691 PolarHBondContact O-N 3.09Å; Y688-L692 WeakPolarHBondContact O-CD1 3.18Å; Y688-L692 VanDerWaalsContact O-CG 3.25Å; Y688-L692 WeakPolarHBondContact O-CG 3.4Å; Y688-L692 PolarHBondContact O-N 2.81Å
689	L	88.1	Confident	79.4	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-38.5	176.3	-76.3	170.9	0	0	0	112	L621 T622 R685 H687 L692 G693 V694 V696	L621-L689 HydrophobicContact CB-CD1 4.16Å; L621-L689 HydrophobicContact CB-CD2 3.71Å; L621-L689 HydrophobicContact CB-CG 3.86Å; L621-L689 HydrophobicContact CD1-CD2 4.2Å; L621-L689 HydrophobicContact CD1-CG 4.03Å; T622-L689 HydrophobicContact CG2-CD1 4.46Å; T622-L689 HydrophobicContact CG2-CD2 4Å; R685-L689 HydrophobicContact CG-CD1 3.94Å; R685-L689 WeakPolarHBondContact O-CB 3.44Å; R685-L689 WeakPolarHBondContact O-CG 3.36Å; R685-L689 PolarHBondContact O-N 2.84Å; H687-L689 PolarHBondContact O-N 3.27Å; L689-L692 CarbonylContact O-C 3.52Å; L689-L692 PolarHBondContact O-N 2.88Å; L689-G693 PolarHBondContact O-N 3.3Å; L689-V694 CarbonylContact C-O 3.56Å; L689-V694 HydrophobicContact CB-CB 4.27Å; L689-V694 HydrophobicContact CD2-CB 4.39Å; L689-V694 WeakPolarHBondContact O-CB 3.3Å; L689-V694 PolarHBondContact O-N 3.31Å; L689-V696 HydrophobicContact CB-CG2 3.71Å; L689-V696 HydrophobicContact CD1-CG2 3.71Å; L689-V696 HydrophobicContact CG-CG2 4.31Å
690	R	84.1	Confident	77.1	Confident	30 Å²	30	57.6 Å²	57.6	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-39.7	177.3	-172.3	177.2	-63	129.5	1.8	112.7	F138 E142 F686 H687 Y688 L692 G693	F138-R690 VanDerWaalsContact CD2-CD 3.43Å; F138-R690 VanDerWaalsContact CD2-CZ 3.48Å; F138-R690 VanDerWaalsContact CE2-CD 3.4Å; E142-R690 IonicContact OE1-CZ 2.64Å; E142-R690 IonicContact OE1-NH1 2.63Å; E142-R690 PolarHBondContact OE1-NH1 2.94Å; F686-R690 VanDerWaalsContact O-CB 3.32Å; F686-R690 WeakPolarHBondContact O-CB 3.47Å; F686-R690 PolarHBondContact O-N 3.3Å; H687-R690 WeakPolarHBondContact O-CB 3.24Å; H687-R690 PolarHBondContact O-N 3.1Å; Y688-R690 VanDerWaalsContact C-N 3.27Å; Y688-R690 PolarHBondContact O-N 2.77Å; R690-L692 PolarHBondContact O-N 2.8Å; R690-G693 PolarHBondContact O-N 3.4Å
691	L	81.8	Confident	74.5	Confident	35 Å²	35	66.1 Å²	66.1	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-32.7	172.2	-71.6	176.6	0	0	0	111.7	E79 H687 Y688 G693	E79-L691 HydrophobicContact CB-CD2 3.83Å; H687-L691 WeakPolarHBondContact NE2-CD1 3.32Å; H687-L691 PolarHBondContact O-N 2.85Å; Y688-L691 HydrophobicContact CD1-CD1 4.48Å; Y688-L691 PolarHBondContact O-N 3.09Å; L691-G693 PolarHBondContact O-N 3.3Å
692	L	83.3	Confident	71.9	Confident	15 Å²	15	66.4 Å²	66.4	8%	0.079	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	10.9	178.1	-55.6	163.6	0	0	0	113.2	V614 I617 K618 P661 I665 Y688 L689 R690 V694	V614-L692 HydrophobicContact CB-CD2 4.19Å; V614-L692 HydrophobicContact CG1-CD2 3.75Å; V614-L692 HydrophobicContact CG2-CD2 3.9Å; I617-L692 HydrophobicContact CB-CD1 3.91Å; I617-L692 HydrophobicContact CG2-CD1 3.47Å; I617-L692 VanDerWaalsContact CG2-CD1 3.47Å; K618-L692 HydrophobicContact CG-CB 4.33Å; K618-L692 HydrophobicContact CG-CD1 4.16Å; P661-L692 HydrophobicContact CG-CD2 3.61Å; I665-L692 HydrophobicContact CD1-CD2 4.46Å; Y688-L692 WeakPolarHBondContact O-CD1 3.18Å; Y688-L692 VanDerWaalsContact O-CG 3.25Å; Y688-L692 WeakPolarHBondContact O-CG 3.4Å; Y688-L692 PolarHBondContact O-N 2.81Å; L689-L692 CarbonylContact O-C 3.52Å; L689-L692 PolarHBondContact O-N 2.88Å; R690-L692 PolarHBondContact O-N 2.8Å; L692-V694 VanDerWaalsContact C-N 3.31Å; L692-V694 PolarHBondContact O-N 3.23Å
693	G	77	Confident	69.5	Low	66 Å²	66	68 Å²	68	68%	0.68	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	7.6	179.1	0	0	0	0	0	115.2	L689 R690 L691	L689-G693 PolarHBondContact O-N 3.3Å; R690-G693 PolarHBondContact O-N 3.4Å; L691-G693 PolarHBondContact O-N 3.3Å
694	V	79.4	Confident	67.2	Low	46 Å²	46	69 Å²	69	28%	0.279	38%	0.379	S	S	.	.			trans	-88.7	117.5	178.3	-175.2	0	0	0	0	109.6	K618 L689 L692 V696	K618-V694 HydrophobicContact CD-CG2 4.28Å; K618-V694 HydrophobicContact CG-CG2 4.13Å; L689-V694 CarbonylContact C-O 3.56Å; L689-V694 HydrophobicContact CB-CB 4.27Å; L689-V694 HydrophobicContact CD2-CB 4.39Å; L689-V694 WeakPolarHBondContact O-CB 3.3Å; L689-V694 PolarHBondContact O-N 3.31Å; L692-V694 VanDerWaalsContact C-N 3.31Å; L692-V694 PolarHBondContact O-N 3.23Å; V694-V696 HydrophobicContact CG1-CG2 4.09Å; V694-V696 PolarHBondContact O-N 2.72Å
695	E	67.3	Low	64.8	Low	98 Å²	98	77 Å²	77	46%	0.458	42%	0.417	S	S	.	.			trans	-73.5	122.1	173.1	-67	-155.8	144.7	0	0	110.8	K87 K134 F697	K87-E695 WeakPolarHBondContact CE-OE1 3.49Å; K87-E695 IonicContact NZ-OE1 3.5Å; K87-E695 PolarHBondContact NZ-OE1 3.38Å; K134-E695 IonicContact NZ-OE2 2.9Å; E695-F697 HydrophobicContact CB-CD2 4.44Å; E695-F697 HydrophobicContact CB-CE2 3.93Å; E695-F697 HydrophobicContact CG-CE2 4.33Å; E695-F697 WeakPolarHBondContact OE2-CE2 3.35Å
696	V	65.8	Low	61.9	Low	37 Å²	37	83.8 Å²	83.8	22%	0.224	45%	0.448	C	S	.	.			trans	-129.3	112.5	174.3	-158.3	0	0	0	0	108.6	F686 L689 V694	F686-V696 HydrophobicContact CD1-CB 3.73Å; F686-V696 HydrophobicContact CD1-CG1 3.42Å; F686-V696 VanDerWaalsContact CD1-CG1 3.42Å; F686-V696 HydrophobicContact CD1-CG2 4.47Å; F686-V696 HydrophobicContact CE1-CB 4.19Å; F686-V696 HydrophobicContact CE1-CG1 3.37Å; L689-V696 HydrophobicContact CB-CG2 3.71Å; L689-V696 HydrophobicContact CD1-CG2 3.71Å; L689-V696 HydrophobicContact CG-CG2 4.31Å; V694-V696 HydrophobicContact CG1-CG2 4.09Å; V694-V696 PolarHBondContact O-N 2.72Å
697	F	62.5	Low	59.3	Low	52 Å²	52	87.9 Å²	87.9	23%	0.228	48%	0.48	C	S	.	.			trans	-110.8	153.1	174.8	-65.2	-72.9	0	0	0	109.8	K134 E695 D699	K134-F697 HydrophobicContact CB-CD1 4.34Å; K134-F697 HydrophobicContact CB-CE1 3.55Å; K134-F697 HydrophobicContact CB-CZ 3.85Å; K134-F697 HydrophobicContact CD-CE1 4.07Å; K134-F697 HydrophobicContact CD-CE2 3.91Å; K134-F697 HydrophobicContact CD-CZ 3.56Å; K134-F697 HydrophobicContact CG-CD1 4.03Å; K134-F697 HydrophobicContact CG-CE1 3.52Å; K134-F697 HydrophobicContact CG-CE2 4.14Å; K134-F697 HydrophobicContact CG-CZ 3.59Å; E695-F697 HydrophobicContact CB-CD2 4.44Å; E695-F697 HydrophobicContact CB-CE2 3.93Å; E695-F697 HydrophobicContact CG-CE2 4.33Å; E695-F697 WeakPolarHBondContact OE2-CE2 3.35Å; F697-D699 PolarHBondContact O-N 3.34Å; F697-D699 VanDerWaalsContact O-N 3.15Å
698	R	58.7	Low	56.5	Low	116 Å²	116	99 Å²	99	44%	0.438	52%	0.521	S	S	.	.			trans	-72.5	108.3	170.7	-74.3	-173.1	-179.3	176.3	6.7	106.8	E144 K700	E144-R698 IonicContact OE1-NH2 2.62Å; E144-R698 PolarHBondContact OE1-NH2 3.24Å; E144-R698 IonicContact OE2-NH2 2.73Å; E144-R698 PolarHBondContact OE2-NH2 3.04Å; E144-R698 VanDerWaalsContact OE2-NH2 3.12Å; R698-K700 PolarHBondContact O-N 3.25Å; R698-K700 VanDerWaalsContact O-N 3.14Å
699	D	48	Very low	53.8	Low	142 Å²	142	106.8 Å²	106.8	76%	0.759	56%	0.564	S	S	*	*			trans	-60	118.5	168.8	-79.2	-28.9	0	0	0	109	F697 Q701	F697-D699 PolarHBondContact O-N 3.34Å; F697-D699 VanDerWaalsContact O-N 3.15Å; D699-Q701 PolarHBondContact O-N 3.47Å
700	K	43.8	Very low	51.3	Low	172 Å²	172	109.2 Å²	109.2	75%	0.748	59%	0.59	S	S	*	*	S	Bend	trans	-69.6	-5.7	168.8	-81.1	-179.9	171.1	172.3	0	112.5	E133 R698	E133-K700 VanDerWaalsContact OE1-CE 3.24Å; E133-K700 WeakPolarHBondContact OE1-CE 3.44Å; E133-K700 IonicContact OE1-NZ 3.95Å; E133-K700 PolarHBondContact OE1-NZ 3.29Å; R698-K700 PolarHBondContact O-N 3.25Å; R698-K700 VanDerWaalsContact O-N 3.14Å
701	Q	35.1	Very low	48.7	Very low	187 Å²	187	111.7 Å²	111.7	87%	0.874	62%	0.617	S	S	*	*			trans	-109.9	78	178.1	-67.8	-174	4.1	0	0	110.7	D699	D699-Q701 PolarHBondContact O-N 3.47Å
702	G	33.6	Very low	46.2	Very low	68 Å²	68	119.7 Å²	119.7	70%	0.701	65%	0.65	S	S	*	*			trans	-131.2	32.8	178	0	0	0	0	0	113.4
703	L	33.2	Very low	43.8	Very low	190 Å²	190	127.2 Å²	127.2	100%	0.995	69%	0.685	S	S	*	*			trans	-101.1	25.4	168.8	-84.7	167.7	0	0	0	112.2
704	G	34.2	Very low	41.8	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	69%	0.687	S	S	*	*	S	Bend	trans	-122.4	112.1	175.4	0	0	0	0	0	111.2
705	Q	35.5	Very low	39.4	Very low	200 Å²	200	132.4 Å²	132.4	94%	0.935	70%	0.7	S	S	*	*			trans	64.1	76.8	167.9	-75.4	172.7	-23.8	0	0	117.7
706	K	27.7	Very low	37.7	Very low	202 Å²	202	130.8 Å²	130.8	88%	0.878	70%	0.703	S	S	*	*			trans	-128.5	135.1	136.9	-85.9	-173.1	177.5	179	0	109.6
707	S	30.7	Very low	36.1	Very low	112 Å²	112	132 Å²	132	78%	0.783	72%	0.717	S	S	*	*			trans	-48.8	137.3	-176	49.1	0	0	0	0	112.7	D709	S707-D709 PolarHBondContact O-N 3.16Å; S707-D709 VanDerWaalsContact O-N 3.15Å
708	R	29.9	Very low	34.5	Very low	236 Å²	236	132.5 Å²	132.5	89%	0.891	73%	0.731	S	S	*	*	S	Bend	trans	-49.6	116.7	166.2	-78	173.9	166.2	170	-5	108.7
709	D	31.2	Very low	33.1	Very low	170 Å²	170	131 Å²	131	91%	0.909	73%	0.734	S	S	*	*	S	Bend	trans	168.2	9.2	145.6	-80.6	-13.1	0	0	0	114.3	S707	S707-D709 PolarHBondContact O-N 3.16Å; S707-D709 VanDerWaalsContact O-N 3.15Å
710	G	33.6	Very low	32.2	Very low	56 Å²	56	130.5 Å²	130.5	58%	0.577	73%	0.726	S	S	*	*			trans	-118.7	-2.9	174.8	0	0	0	0	0	117	K712	G710-K712 PolarHBondContact O-N 3.38Å
711	A	29.6	Very low	31.7	Very low	83 Å²	83	125.3 Å²	125.3	69%	0.686	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	15.7	-159.1	0	0	0	0	0	117.1
712	K	30.5	Very low	31.5	Very low	203 Å²	203	123.5 Å²	123.5	88%	0.883	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-13.4	179.2	-84.1	-174.5	175.4	179.9	0	115.4	G710	G710-K712 PolarHBondContact O-N 3.38Å
713	E	32.7	Very low	31.2	Very low	173 Å²	173	126.1 Å²	126.1	81%	0.808	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-26.2	174.9	-86.1	-178.5	146.1	0	0	113.8
714	E	34	Very low	31.1	Very low	153 Å²	153	122.5 Å²	122.5	72%	0.715	68%	0.679	S	S	*	*	H	α-helix	trans	-80.7	-26.6	-174.4	-72	-176.8	147	0	0	114.2	A716 A717 A718	E714-A716 PolarHBondContact O-N 2.87Å; E714-A717 PolarHBondContact O-N 3.13Å; E714-A718 PolarHBondContact O-N 3.06Å
715	A	30.6	Very low	30.9	Very low	68 Å²	68	121.5 Å²	121.5	56%	0.562	67%	0.668	S	S	*	*	H	α-helix	trans	-71.7	-17.6	176	0	0	0	0	0	113.1	T719	A715-T719 PolarHBondContact O-OG1 3.03Å
716	A	31.1	Very low	30.6	Very low	63 Å²	63	118.7 Å²	118.7	52%	0.521	66%	0.655	S	S	.	*	H	α-helix	trans	-84.3	-21.4	175.6	0	0	0	0	0	112.9	E714	E714-A716 PolarHBondContact O-N 2.87Å
717	A	31.5	Very low	30.6	Very low	62 Å²	62	115.3 Å²	115.3	51%	0.512	65%	0.646	S	S	.	*	H	α-helix	trans	-85.6	-34.9	-179.7	0	0	0	0	0	112.7	E714 K720 A721	E714-A717 PolarHBondContact O-N 3.13Å; A717-K720 PolarHBondContact O-N 3.21Å; A717-A721 PolarHBondContact O-N 2.95Å
718	A	29.3	Very low	30.7	Very low	64 Å²	64	116 Å²	116	53%	0.529	64%	0.637	S	S	.	*	H	α-helix	trans	-68.9	-39.9	177.8	0	0	0	0	0	112.4	E714 K720 A721 E722	E714-A718 PolarHBondContact O-N 3.06Å; A718-K720 VanDerWaalsContact C-N 3.3Å; A718-K720 PolarHBondContact O-N 3.27Å; A718-A721 PolarHBondContact O-N 3.25Å; A718-E722 PolarHBondContact O-N 3.38Å
719	T	28.5	Very low	30.6	Very low	83 Å²	83	109.2 Å²	109.2	51%	0.509	62%	0.618	S	S	.	*	H	α-helix	trans	-71.8	-25	177.6	-31.9	0	0	0	0	112.4	A715 Q723	A715-T719 PolarHBondContact O-OG1 3.03Å; T719-Q723 PolarHBondContact O-N 3.12Å
720	K	29.9	Very low	30.4	Very low	132 Å²	132	103.5 Å²	103.5	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-72	-36.6	170.2	-89.9	-173.7	173.3	-173.5	0	112.8	A717 A718 E722 Q723 E724	A717-K720 PolarHBondContact O-N 3.21Å; A718-K720 VanDerWaalsContact C-N 3.3Å; A718-K720 PolarHBondContact O-N 3.27Å; K720-E722 VanDerWaalsContact C-N 3.33Å; K720-E722 PolarHBondContact O-N 3.1Å; K720-Q723 PolarHBondContact O-N 2.92Å; K720-E724 WeakPolarHBondContact O-CB 3.28Å; K720-E724 WeakPolarHBondContact O-CG 3.39Å; K720-E724 PolarHBondContact O-N 2.84Å
721	A	32.9	Very low	30.1	Very low	64 Å²	64	107.4 Å²	107.4	53%	0.529	61%	0.607	S	S	.	*	H	α-helix	trans	-68.6	-29.7	178.6	0	0	0	0	0	113.1	A717 A718 G725	A717-A721 PolarHBondContact O-N 2.95Å; A718-A721 PolarHBondContact O-N 3.25Å; A721-G725 PolarHBondContact O-N 3.46Å
722	E	30.6	Very low	30.1	Very low	149 Å²	149	110.3 Å²	110.3	70%	0.696	61%	0.606	S	S	*	*	H	α-helix	trans	-75	-36.3	172.7	-76.1	-177	156	0	0	112.3	A718 K720 E726	A718-E722 PolarHBondContact O-N 3.38Å; K720-E722 VanDerWaalsContact C-N 3.33Å; K720-E722 PolarHBondContact O-N 3.1Å; E722-E726 PolarHBondContact O-N 3.48Å
723	Q	27.8	Very low	29.9	Very low	123 Å²	123	109 Å²	109	58%	0.575	61%	0.608	S	S	*	*	H	α-helix	trans	-74.3	-32	174.2	-78.6	-178.7	-12.5	0	0	113.6	T719 K720 E726 L727	T719-Q723 PolarHBondContact O-N 3.12Å; K720-Q723 PolarHBondContact O-N 2.92Å; Q723-E726 PolarHBondContact O-N 2.79Å; Q723-L727 WeakPolarHBondContact O-CG 3.29Å; Q723-L727 PolarHBondContact O-N 2.95Å; Q723-L727 VanDerWaalsContact O-N 3.1Å
724	E	31	Very low	29.5	Very low	114 Å²	114	104 Å²	104	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-74.3	-29.3	176.7	-75.3	176.1	-176.2	0	0	112.6	K720 E726 L727 E728	K720-E724 WeakPolarHBondContact O-CB 3.28Å; K720-E724 WeakPolarHBondContact O-CG 3.39Å; K720-E724 PolarHBondContact O-N 2.84Å; E724-E726 VanDerWaalsContact C-N 3.28Å; E724-E726 PolarHBondContact O-N 2.86Å; E724-L727 PolarHBondContact O-N 3.49Å; E724-E728 PolarHBondContact O-N 3.13Å
725	G	30.1	Very low	29.1	Very low	41 Å²	41	102.8 Å²	102.8	42%	0.423	61%	0.612	S	S	.	*	H	α-helix	trans	-71	-21.3	170.1	0	0	0	0	0	114.2	A721	A721-G725 PolarHBondContact O-N 3.46Å
726	E	29.6	Very low	28.8	Very low	142 Å²	142	107.6 Å²	107.6	66%	0.664	63%	0.628	S	S	*	*	H	α-helix	trans	-84.8	-30.2	172.3	-73.7	-177.1	159.7	0	0	112.1	E722 Q723 E724 E728 N729	E722-E726 PolarHBondContact O-N 3.48Å; Q723-E726 PolarHBondContact O-N 2.79Å; E724-E726 VanDerWaalsContact C-N 3.28Å; E724-E726 PolarHBondContact O-N 2.86Å; E726-E728 VanDerWaalsContact C-N 3.32Å; E726-E728 PolarHBondContact O-N 3.41Å; E726-N729 CarbonylContact O-C 3.56Å; E726-N729 WeakPolarHBondContact O-CA 3.44Å; E726-N729 PolarHBondContact O-N 3.23Å
727	L	28.1	Very low	28.4	Very low	130 Å²	130	113.5 Å²	113.5	68%	0.681	64%	0.644	S	S	*	*	H	α-helix	trans	-71.3	-20.1	175.3	-77.5	158.1	0	0	0	114.3	Q723 E724 N729	Q723-L727 WeakPolarHBondContact O-CG 3.29Å; Q723-L727 PolarHBondContact O-N 2.95Å; Q723-L727 VanDerWaalsContact O-N 3.1Å; E724-L727 PolarHBondContact O-N 3.49Å; L727-N729 PolarHBondContact O-N 2.87Å
728	E	32.8	Very low	28.2	Very low	128 Å²	128	116.4 Å²	116.4	60%	0.598	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-8.5	167	-76.3	-171.1	165.1	0	0	112.8	E724 E726	E724-E728 PolarHBondContact O-N 3.13Å; E726-E728 VanDerWaalsContact C-N 3.32Å; E726-E728 PolarHBondContact O-N 3.41Å
729	N	28	Very low	28	Very low	93 Å²	93	123.1 Å²	123.1	50%	0.497	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.5	64.8	176	-62.1	-70.3	0	0	0	111.9	R123 E726 L727	R123-N729 PolarHBondContact NH2-ND2 3.02Å; E726-N729 CarbonylContact O-C 3.56Å; E726-N729 WeakPolarHBondContact O-CA 3.44Å; E726-N729 PolarHBondContact O-N 3.23Å; L727-N729 PolarHBondContact O-N 2.87Å
730	G	26.4	Very low	27.8	Very low	49 Å²	49	127 Å²	127	51%	0.505	69%	0.691	S	S	.	*	S	Bend	trans	139.1	129.8	155.4	0	0	0	0	0	117
731	D	26.8	Very low	27.6	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	71%	0.706	S	S	*	*			trans	94.3	91.6	151.6	-62.2	-7.2	0	0	0	119.4
732	E	29.3	Very low	27.3	Very low	144 Å²	144	130.3 Å²	130.3	67%	0.673	72%	0.718	S	S	*	*			trans	-81.3	135.9	155	-69.6	-174.8	149.4	0	0	110.4	R210	R210-E732 IonicContact CZ-OE1 2.72Å; R210-E732 IonicContact NH1-OE1 2.77Å; R210-E732 PolarHBondContact NH1-OE1 3.02Å
733	N	26.1	Very low	27	Very low	174 Å²	174	127.1 Å²	127.1	93%	0.93	73%	0.725	S	S	*	*			trans	79.9	97.3	170	-68.8	-21.1	0	0	0	119.6
734	G	25.6	Very low	26.9	Very low	68 Å²	68	128.8 Å²	128.8	70%	0.701	74%	0.738	S	S	*	*			trans	-147.6	105.6	150.4	0	0	0	0	0	110.1	L736	G734-L736 PolarHBondContact O-N 3.49Å
735	S	24.6	Very low	26.8	Very low	128 Å²	128	133.1 Å²	133.1	90%	0.895	76%	0.755	S	S	*	*			trans	-58.8	124.6	173.5	40.7	0	0	0	0	111.8
736	L	25.3	Very low	26.7	Very low	170 Å²	170	139.9 Å²	139.9	89%	0.89	78%	0.776	S	S	*	*			trans	-125.1	117.5	170.1	-77.8	166	0	0	0	109.5	G734	G734-L736 PolarHBondContact O-N 3.49Å
737	E	22.4	Very low	26.6	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.9	146.3	173	-66.9	179.5	150.3	0	0	111.5	K739	E737-K739 PolarHBondContact O-N 3.4Å
738	P	26.6	Very low	26.5	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-80.6	120.5	-176.5	30.4	-30.7	0	0	0	111.8
739	K	24.8	Very low	26.5	Very low	206 Å²	206	140.3 Å²	140.3	90%	0.896	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.5	121.2	160.2	-82.1	-174.7	176.7	178.5	0	109.6	E737	E737-K739 PolarHBondContact O-N 3.4Å
740	I	25.4	Very low	26.6	Very low	163 Å²	163	144.8 Å²	144.8	84%	0.836	84%	0.843	S	S	*	*			trans	-78.7	115.5	171.6	-61.5	168.5	0	0	0	107.7
741	E	26.5	Very low	26.6	Very low	190 Å²	190	149.6 Å²	149.6	89%	0.888	86%	0.86	S	S	*	*			trans	-110.2	104.4	162.1	-82.2	-171.9	167.5	0	0	109
742	G	24.9	Very low	26.6	Very low	76 Å²	76	150.1 Å²	150.1	78%	0.784	87%	0.866	S	S	*	*			trans	-81	116.5	167.9	0	0	0	0	0	110.1	N744	G742-N744 PolarHBondContact O-N 3.47Å
743	G	25.5	Very low	26.4	Very low	83 Å²	83	150.4 Å²	150.4	86%	0.856	88%	0.877	S	S	*	*			trans	-87.3	99.7	170.3	0	0	0	0	0	110.7
744	N	25.2	Very low	26.5	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	87%	0.874	S	S	*	*			trans	-88.3	116.8	166.8	-132.4	15.2	0	0	0	108.6	G742	G742-N744 PolarHBondContact O-N 3.47Å
745	K	29.8	Very low	26.5	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	88%	0.884	S	S	*	*			trans	-87.8	115.1	167	-88.4	179.8	173.9	177.5	0	107.8
746	E	26.6	Very low	26.6	Very low	183 Å²	183	155.9 Å²	155.9	86%	0.855	88%	0.884	S	S	*	*			trans	-120.8	118.7	155.8	-88.2	-174.7	163.7	0	0	109.3
747	S	27.2	Very low	26.7	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-80.7	128	170.5	44.5	0	0	0	0	109.9
748	S	27	Very low	27.1	Very low	123 Å²	123	152.5 Å²	152.5	86%	0.86	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-76.3	141.4	170.6	-12.2	0	0	0	0	111.2
749	I	32.9	Very low	27.1	Very low	169 Å²	169	154.9 Å²	154.9	87%	0.867	89%	0.892	S	S	*	*	P	Polyproline II helix	trans	-58.6	133.9	-176.4	-66.8	152.6	0	0	0	113.9
750	S	29.6	Very low	27.3	Very low	186 Å²	186	150.3 Å²	150.3	100%	1.301	89%	0.891	S	S	*	*				-158.8	0	129.6	61.1	0	0	0	0	109.6

Retrieved 750 of 750 residues in 1618.4 ms (Link to these results)

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