A0A060XLZ9_ONCMY Loading...

ATP synthase subunit beta

Catalytic subunit beta, of the mitochondrial membrane ATP synthase complex (F(1)F(0) ATP synthase or Complex V) that produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. ATP synthase complex consist of a soluble F(1) head domain - the catalytic core - and a membrane F(1) domain - the membrane proton channel. These two domains are linked by a central stalk rotating inside the F(1) region and a stationary peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. In vivo, can only synthesize ATP although its ATP hydrolase activity can be activated artificially in vitro. With the subunit alpha (ATP5F1A), forms the catalytic core in the F(1) domain. Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB (A0A674DTJ8), UniProt , Accession A0A060XLZ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC100136600, Length 517 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35	Very low	29.2	Very low	229 Å²	229	133 Å²	133	100%	1.128	84%	0.836	S	S	*	*				0	104.2	0	-74.3	-178.9	175.1	0	0	107.1
2	L	29.9	Very low	29.2	Very low	173 Å²	173	129.4 Å²	129.4	91%	0.906	83%	0.828	S	S	*	*				63.1	106.5	116.9	-75.4	148.8	0	0	0	111.7
3	G	26.6	Very low	29.3	Very low	71 Å²	71	131.8 Å²	131.8	73%	0.732	83%	0.829	S	S	*	*				94.6	95.7	63.5	0	0	0	0	0	108.1
4	A	31.3	Very low	29.2	Very low	98 Å²	98	135.6 Å²	135.6	81%	0.81	83%	0.832	S	S	*	*				76.6	110.8	87.8	0	0	0	0	0	114.7
5	V	32.5	Very low	29.6	Very low	147 Å²	147	132.5 Å²	132.5	89%	0.891	83%	0.826	S	S	*	*			trans	-164.4	117.5	151.3	-179.3	0	0	0	0	105.3
6	G	27.3	Very low	29.4	Very low	62 Å²	62	134.9 Å²	134.9	64%	0.639	83%	0.83	S	S	*	*			cis	87.4	104.8	31.2	0	0	0	0	0	109.2
7	R	31	Very low	29.5	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	83%	0.833	S	S	*	*				164.1	149.7	67.7	-85.9	175	175.4	-178.2	-1.5	107.8
8	C	25.4	Very low	29.5	Very low	114 Å²	114	138.2 Å²	138.2	77%	0.77	83%	0.832	S	S	*	*				168	105.4	118.7	-99.2	0	0	0	0	108.8
9	C	28.4	Very low	29.4	Very low	104 Å²	104	134.7 Å²	134.7	70%	0.703	83%	0.827	S	S	*	*				92.8	94.3	94	-76.6	0	0	0	0	111.1
10	T	27.8	Very low	29.6	Very low	144 Å²	144	134.9 Å²	134.9	88%	0.883	83%	0.828	S	S	*	*				83.8	112.1	93.3	48.3	0	0	0	0	114.2
11	G	26.3	Very low	29.4	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	83%	0.829	S	S	*	*			trans	-166.2	108	161.1	0	0	0	0	0	108.5
12	A	29.4	Very low	29.1	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	81%	0.81	S	S	*	*			trans	-77.3	144.5	-170.1	0	0	0	0	0	113.4
13	L	29.9	Very low	29	Very low	160 Å²	160	131.5 Å²	131.5	84%	0.838	81%	0.81	S	S	*	*			trans	34.8	110.6	136.8	-75.1	151.6	0	0	0	118.1
14	Q	28.1	Very low	28.9	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	82%	0.816	S	S	*	*				175.4	143.3	108.5	-98.2	171.2	-10.4	0	0	113
15	A	35.1	Very low	28.8	Very low	89 Å²	89	136.8 Å²	136.8	74%	0.736	81%	0.81	S	S	*	*			trans	66.4	109.5	157.3	0	0	0	0	0	118.3
16	L	26.5	Very low	28.5	Very low	171 Å²	171	138.2 Å²	138.2	90%	0.895	81%	0.811	S	S	*	*				-174.6	111.9	125.8	-95	149.7	0	0	0	109.2
17	K	31.1	Very low	28.5	Very low	203 Å²	203	141.5 Å²	141.5	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.2	129.2	158.9	-72.7	179.3	175.6	-179.7	0	107.5
18	P	29.8	Very low	28.3	Very low	126 Å²	126	132.7 Å²	132.7	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.2	119.9	160.5	18.4	-4.2	0	0	0	108.4
19	G	27.2	Very low	28.3	Very low	72 Å²	72	132.7 Å²	132.7	74%	0.742	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.5	171.8	0	0	0	0	0	111.2	Q21	G19-Q21 PolarHBondContact O-N 3.39Å
20	V	32.7	Very low	28.3	Very low	138 Å²	138	133.2 Å²	133.2	84%	0.836	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.1	118	168.5	176.9	0	0	0	0	108.5
21	Q	26.8	Very low	28.5	Very low	181 Å²	181	130.5 Å²	130.5	85%	0.846	79%	0.793	S	S	*	*			trans	-120.9	119.6	152	-80.1	-173.6	-9	0	0	106.8	G19 L23	G19-Q21 PolarHBondContact O-N 3.39Å; Q21-L23 PolarHBondContact O-N 3.28Å
22	P	29.1	Very low	29.1	Very low	113 Å²	113	131.4 Å²	131.4	73%	0.734	78%	0.783	S	S	*	*			trans	-70.5	126	173.3	28.4	-29.1	0	0	0	108.1	K24	P22-K24 PolarHBondContact O-N 3.45Å
23	L	26.2	Very low	29.7	Very low	172 Å²	172	131 Å²	131	90%	0.901	77%	0.767	S	S	*	*			trans	-49.2	110.1	160.9	-90.1	138.4	0	0	0	107.4	Q21 A25	Q21-L23 PolarHBondContact O-N 3.28Å; L23-A25 PolarHBondContact O-N 3.22Å
24	K	26	Very low	29.7	Very low	198 Å²	198	126 Å²	126	86%	0.861	76%	0.755	S	S	*	*			trans	-53.7	110.7	164.1	-91.6	-179.9	172.6	179.9	0	106.2	P22 L26	P22-K24 PolarHBondContact O-N 3.45Å; K24-L26 PolarHBondContact O-N 3.03Å; K24-L26 VanDerWaalsContact O-N 3.08Å
25	A	28.1	Very low	30.3	Very low	82 Å²	82	126.9 Å²	126.9	68%	0.678	75%	0.75	S	S	*	*			trans	-49.5	117.9	165.2	0	0	0	0	0	107.3	L23 V27	L23-A25 PolarHBondContact O-N 3.22Å; A25-V27 PolarHBondContact O-N 3.39Å
26	L	26.7	Very low	31.3	Very low	177 Å²	177	126.5 Å²	126.5	93%	0.927	73%	0.73	S	S	*	*			trans	-59.3	93.8	155.6	-85.4	149.6	0	0	0	105	K24 G28	K24-L26 PolarHBondContact O-N 3.03Å; K24-L26 VanDerWaalsContact O-N 3.08Å; L26-G28 VanDerWaalsContact C-N 3.27Å; L26-G28 PolarHBondContact O-N 3.17Å
27	V	27.6	Very low	32.7	Very low	130 Å²	130	123.7 Å²	123.7	79%	0.788	72%	0.716	S	S	*	*			trans	-61.7	100.4	166.5	179.4	0	0	0	0	104.5	A25 S29	A25-V27 PolarHBondContact O-N 3.39Å; V27-S29 PolarHBondContact O-N 3.17Å
28	G	26.6	Very low	33.9	Very low	57 Å²	57	116.1 Å²	116.1	59%	0.588	68%	0.682	S	S	*	*			trans	-53.7	136	167.1	0	0	0	0	0	108	L26	L26-G28 VanDerWaalsContact C-N 3.27Å; L26-G28 PolarHBondContact O-N 3.17Å
29	S	25	Very low	34.8	Very low	114 Å²	114	112.2 Å²	112.2	80%	0.797	66%	0.657	S	S	*	*			trans	-44.2	129.2	168	-48.3	0	0	0	0	108.5	V27 S31	V27-S29 PolarHBondContact O-N 3.17Å; S29-S31 PolarHBondContact O-N 3.33Å; S29-S31 VanDerWaalsContact O-N 3.12Å
30	P	28.6	Very low	35.6	Very low	114 Å²	114	112 Å²	112	74%	0.74	65%	0.649	S	S	*	*			trans	-60.9	123.9	173.9	25.4	-29.5	0	0	0	106.8	V32	P30-V32 PolarHBondContact O-N 3.46Å; P30-V32 VanDerWaalsContact O-N 3.14Å
31	S	31.7	Very low	36	Very low	88 Å²	88	110.4 Å²	110.4	62%	0.615	64%	0.641	S	S	*	*			trans	-58.8	118.7	162.1	49.6	0	0	0	0	106.5	S29 L33 G34	S29-S31 PolarHBondContact O-N 3.33Å; S29-S31 VanDerWaalsContact O-N 3.12Å; S31-L33 PolarHBondContact O-N 3.45Å; S31-G34 PolarHBondContact O-N 2.99Å
32	V	39.9	Very low	36.6	Very low	99 Å²	99	105 Å²	105	60%	0.6	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-17.9	179.5	177.3	0	0	0	0	111.7	P30	P30-V32 PolarHBondContact O-N 3.46Å; P30-V32 VanDerWaalsContact O-N 3.14Å
33	L	40.3	Very low	36.8	Very low	81 Å²	81	104.2 Å²	104.2	42%	0.424	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-10.1	179.4	-63.4	165.9	0	0	0	114.4	S31 E158	S31-L33 PolarHBondContact O-N 3.45Å; L33-E158 HydrophobicContact CB-CG 4.07Å
34	G	30.7	Very low	37.3	Very low	56 Å²	56	99.8 Å²	99.8	58%	0.577	62%	0.619	S	S	*	*	S	Bend	trans	-83.7	-10.3	-166.3	0	0	0	0	0	117.1	S31	S31-G34 PolarHBondContact O-N 2.99Å
35	R	40	Very low	38.1	Very low	204 Å²	204	93.9 Å²	93.9	77%	0.77	61%	0.607	S	S	*	*	S	Bend	trans	-143.8	131.2	177.5	-80.6	-175	171.7	166.4	-2.8	110.9	D37	R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 2.77Å
36	R	56.8	Low	39.3	Very low	81 Å²	81	95.1 Å²	95.1	31%	0.306	62%	0.617	S	S	.	*			trans	-68.3	88.2	168.7	-67.1	-178.2	-180	150.8	5.6	108.5	Y38 E158 E280 D284	R36-Y38 HydrophobicContact CB-CD2 4.41Å; R36-Y38 HydrophobicContact CB-CE2 3.82Å; R36-Y38 WeakPolarHBondContact O-CD2 3.45Å; R36-Y38 PolarHBondContact O-N 3.49Å; R36-E158 PolarHBondContact NH2-O 2.91Å; R36-E280 IonicContact CZ-OE1 2.69Å; R36-E280 IonicContact NH2-OE1 2.69Å; R36-E280 PolarHBondContact NH2-OE1 3.4Å; R36-D284 IonicContact CZ-OD2 2.7Å; R36-D284 IonicContact NE-OD2 3.68Å; R36-D284 IonicContact NH1-OD1 2.78Å; R36-D284 PolarHBondContact NH1-OD1 3.34Å; R36-D284 IonicContact NH1-OD2 3.34Å; R36-D284 PolarHBondContact NH1-OD2 3.05Å
37	D	55.2	Low	41.1	Very low	112 Å²	112	91 Å²	91	60%	0.599	59%	0.592	S	S	*	*			trans	-86.7	90.4	-176.5	-77.6	-19.5	0	0	0	110.9	R35 S39	R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 2.77Å; D37-S39 VanDerWaalsContact C-N 3.27Å; D37-S39 PolarHBondContact O-N 3.47Å
38	Y	57.2	Low	43.6	Very low	43 Å²	43	85.9 Å²	85.9	17%	0.169	56%	0.563	C	S	.	*			trans	-74.8	82.7	166.4	-57.8	-89.9	0	0	0	108.9	R36 V125 A153 Y281 Q285	R36-Y38 HydrophobicContact CB-CD2 4.41Å; R36-Y38 HydrophobicContact CB-CE2 3.82Å; R36-Y38 WeakPolarHBondContact O-CD2 3.45Å; R36-Y38 PolarHBondContact O-N 3.49Å; Y38-V125 HydrophobicContact CD1-CG2 4.26Å; Y38-A153 HydrophobicContact CD1-CB 4.1Å; Y38-A153 HydrophobicContact CE1-CB 4.11Å; Y38-Y281 AromaticContact CD1-CD2 3.68Å; Y38-Y281 HydrophobicContact CD1-CD2 3.68Å; Y38-Y281 HydrophobicContact CD1-CE2 4.22Å; Y38-Y281 AromaticContact CE1-CD2 3.57Å; Y38-Y281 HydrophobicContact CE1-CD2 3.57Å; Y38-Y281 HydrophobicContact CE1-CE2 4.48Å; Y38-Y281 HydrophobicContact CE1-CG 4.35Å; Y38-Q285 HydrophobicContact CD1-CG 4.23Å; Y38-Q285 HydrophobicContact CD2-CG 4.13Å; Y38-Q285 HydrophobicContact CE1-CG 4.14Å; Y38-Q285 HydrophobicContact CE2-CG 3.99Å; Y38-Q285 HydrophobicContact CG-CG 4.21Å
39	S	48.7	Very low	46.5	Very low	44 Å²	44	87.2 Å²	87.2	31%	0.308	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-105.4	154.5	-177.6	49.3	0	0	0	0	112	D37 R122 T152	D37-S39 VanDerWaalsContact C-N 3.27Å; D37-S39 PolarHBondContact O-N 3.47Å; S39-R122 PolarHBondContact O-NH2 3.24Å; S39-R122 PolarHBondContact OG-NH1 3.39Å; S39-R122 PolarHBondContact OG-NH2 3.15Å; S39-T152 PolarHBondContact O-N 3.06Å
40	A	44	Very low	49.8	Very low	69 Å²	69	81.9 Å²	81.9	57%	0.57	52%	0.517	S	S	*	.	S	Bend	trans	-56.4	153.8	160.2	0	0	0	0	0	109.3	A42	A40-A42 PolarHBondContact O-N 2.92Å; A40-A42 VanDerWaalsContact O-N 3.1Å
41	P	40	Very low	52.9	Low	104 Å²	104	83.4 Å²	83.4	68%	0.675	51%	0.508	S	S	*	.	S	Bend	trans	-49.5	123.2	179.7	18.2	-31	0	0	0	110.5
42	A	39.5	Very low	56	Low	66 Å²	66	79.4 Å²	79.4	55%	0.545	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60.8	138.7	-170.6	0	0	0	0	0	111.6	A40	A40-A42 PolarHBondContact O-N 2.92Å; A40-A42 VanDerWaalsContact O-N 3.1Å
43	A	35	Very low	58.7	Low	98 Å²	98	77.6 Å²	77.6	81%	0.81	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-69.2	135.7	170	0	0	0	0	0	109.9	A45	A43-A45 PolarHBondContact O-N 3.27Å
44	A	36.4	Very low	61.3	Low	79 Å²	79	74.7 Å²	74.7	65%	0.653	46%	0.457	S	S	*	.			trans	-51.3	103.6	-172.4	0	0	0	0	0	113.5	F47	A44-F47 HydrophobicContact CB-CE2 3.59Å; A44-F47 HydrophobicContact CB-CZ 3.78Å
45	A	42.8	Very low	64.3	Low	73 Å²	73	74.5 Å²	74.5	60%	0.603	44%	0.444	S	S	*	.			trans	-64.3	154.9	154.7	0	0	0	0	0	108.7	A43 F47	A43-A45 PolarHBondContact O-N 3.27Å; A45-F47 PolarHBondContact O-N 3.18Å
46	A	52	Low	66.8	Low	108 Å²	108	69.1 Å²	69.1	89%	0.893	43%	0.43	S	S	*	.			trans	-60.3	102.9	178.8	0	0	0	0	0	109.8	A48	A46-A48 PolarHBondContact O-N 3.19Å
47	F	65.6	Low	68.5	Low	92 Å²	92	67.6 Å²	67.6	40%	0.404	44%	0.439	S	S	.	.			trans	-66.3	121.3	-173.9	-60.3	-64.5	0	0	0	110.7	A44 A45 V115 D116	A44-F47 HydrophobicContact CB-CE2 3.59Å; A44-F47 HydrophobicContact CB-CZ 3.78Å; A45-F47 PolarHBondContact O-N 3.18Å; F47-V115 HydrophobicContact CB-CG1 3.7Å; F47-V115 HydrophobicContact CG-CG1 4.05Å; F47-D116 WeakPolarHBondContact CD1-O 3.31Å
48	A	79.4	Confident	70.3	Confident	21 Å²	21	62.8 Å²	62.8	17%	0.174	42%	0.415	C	S	.	.			trans	-64.1	139.6	171.2	0	0	0	0	0	109.2	A46 F64 D116	A46-A48 PolarHBondContact O-N 3.19Å; A48-F64 HydrophobicContact CB-CD1 3.95Å; A48-F64 HydrophobicContact CB-CE1 4.07Å; A48-D116 HydrophobicContact CB-CB 4.12Å; A48-D116 PolarHBondContact O-N 2.99Å
49	H	88.9	Confident	72.1	Confident	85 Å²	85	60.9 Å²	60.9	39%	0.394	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	179.8	-68.3	-39.5	0	0	0	109.8	F64 K113 V114	H49-F64 WeakPolarHBondContact O-CD1 3.47Å; H49-K113 PolarHBondContact CD2-NZ 3.16Å; H49-K113 VanDerWaalsContact CE1-CE 3.47Å; H49-K113 WeakPolarHBondContact CE1-CE 3.41Å; H49-K113 PolarHBondContact CE1-NZ 3.44Å; H49-K113 VanDerWaalsContact CE1-NZ 3.32Å; H49-K113 WeakPolarHBondContact ND1-CE 3.4Å; H49-K113 PolarHBondContact NE2-NZ 3.13Å; H49-V114 WeakPolarHBondContact CA-O 3.24Å
50	G	92.8	Very high	74.4	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.031	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	172.1	175.4	0	0	0	0	0	112	Q63 V114	G50-Q63 CarbonylContact C-O 3.43Å; G50-Q63 WeakPolarHBondContact CA-O 3.19Å; G50-V114 PolarHBondContact N-O 3.49Å; G50-V114 PolarHBondContact O-N 2.8Å
51	R	95	Very high	76.9	Confident	146 Å²	146	56.1 Å²	56.1	55%	0.551	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.3	173.2	-62.5	-178.8	-169.2	159.7	8.6	110.2	V53 V62 Q63 Q112	R51-V53 PolarHBondContact O-N 3.36Å; R51-V62 WeakPolarHBondContact O-CA 3.42Å; R51-Q63 PolarHBondContact N-O 2.87Å; R51-Q63 PolarHBondContact O-N 3.31Å; R51-Q112 WeakPolarHBondContact CA-O 3.19Å
52	I	96.3	Very high	79.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.1	176.6	-59.9	-177.5	0	0	0	109.9	V55 V60 V77 L108 R110 G111 Q112 V114	I52-V55 HydrophobicContact CG2-CG2 3.68Å; I52-V60 HydrophobicContact CD1-CG1 4.17Å; I52-V60 HydrophobicContact CG1-CG1 4.14Å; I52-V60 HydrophobicContact CG2-CG1 3.85Å; I52-V77 HydrophobicContact CD1-CG1 4.26Å; I52-L108 HydrophobicContact CD1-CB 4.41Å; I52-L108 HydrophobicContact CD1-CD1 4.24Å; I52-L108 HydrophobicContact CD1-CD2 3.87Å; I52-L108 HydrophobicContact CD1-CG 4.42Å; I52-R110 CarbonylContact O-C 3.54Å; I52-R110 WeakPolarHBondContact O-CA 3.26Å; I52-G111 PolarHBondContact O-N 3.23Å; I52-Q112 HydrophobicContact CD1-CB 4.03Å; I52-Q112 HydrophobicContact CG1-CB 4.37Å; I52-Q112 PolarHBondContact N-O 3.22Å; I52-V114 HydrophobicContact CD1-CG2 4.28Å; I52-V114 HydrophobicContact CG1-CG2 3.65Å
53	V	95.9	Very high	82.3	Confident	61 Å²	61	51.8 Å²	51.8	37%	0.37	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-40.7	177.2	-179.2	0	0	0	0	111.3	R51 D61 Q63 R110	R51-V53 PolarHBondContact O-N 3.36Å; V53-D61 PolarHBondContact N-O 3.49Å; V53-Q63 HydrophobicContact CG2-CB 3.39Å; V53-R110 VanDerWaalsContact O-CD 3.23Å; V53-R110 WeakPolarHBondContact O-CD 3.29Å; V53-R110 WeakPolarHBondContact O-CG 3.35Å; V53-R110 PolarHBondContact O-NE 3.33Å
54	A	94.8	Very high	85.1	Confident	21 Å²	21	47.2 Å²	47.2	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.3	179.3	0	0	0	0	0	111.8	D61	A54-D61 HydrophobicContact CB-CB 4.15Å; A54-D61 PolarHBondContact N-O 3.13Å; A54-D61 PolarHBondContact O-N 2.94Å
55	V	95.1	Very high	87.4	Confident	52 Å²	52	48.4 Å²	48.4	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.2	175.6	-178	0	0	0	0	106.9	I52 V60 L108	I52-V55 HydrophobicContact CG2-CG2 3.68Å; V55-V60 HydrophobicContact CG1-CG2 4.38Å; V55-V60 HydrophobicContact CG2-CG1 4.34Å; V55-L108 HydrophobicContact CG1-CD1 4.43Å; V55-L108 HydrophobicContact CG2-CB 3.95Å; V55-L108 HydrophobicContact CG2-CD1 4.26Å
56	I	92.6	Very high	89.2	Confident	91 Å²	91	53 Å²	53	47%	0.467	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	92	-178.6	-53.4	174.4	0	0	0	107.6	A58 V59	I56-A58 PolarHBondContact O-N 2.9Å; I56-V59 PolarHBondContact N-O 3.11Å; I56-V59 PolarHBondContact O-N 2.85Å
57	G	91.4	Very high	90.5	Very high	48 Å²	48	50.3 Å²	50.3	50%	0.495	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-124.1	-173.5	0	0	0	0	0	111	V59 T105	G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.05Å; G57-T105 WeakPolarHBondContact O-CB 3.47Å; G57-T105 WeakPolarHBondContact O-CG2 3.39Å; G57-T105 PolarHBondContact O-OG1 3.41Å
58	A	93	Very high	91.6	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.3	177.5	0	0	0	0	0	114.3	I56 A101 P265 L310	I56-A58 PolarHBondContact O-N 2.9Å; A58-A101 WeakPolarHBondContact O-CB 3.4Å; A58-A101 PolarHBondContact O-N 2.94Å; A58-P265 HydrophobicContact CB-CG 4.23Å; A58-L310 HydrophobicContact CB-CD1 4.06Å
59	V	95.7	Very high	92.2	Very high	2 Å²	2	48 Å²	48	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.8	179.1	171.3	0	0	0	0	110.1	I56 G57 R98 T99 L310 L311	I56-V59 PolarHBondContact N-O 3.11Å; I56-V59 PolarHBondContact O-N 2.85Å; G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.05Å; V59-R98 VanDerWaalsContact CG1-CD 3.5Å; V59-R98 HydrophobicContact CG1-CG 3.5Å; V59-R98 VanDerWaalsContact CG1-CG 3.5Å; V59-T99 WeakPolarHBondContact CA-O 3.48Å; V59-L310 HydrophobicContact CG2-CB 3.5Å; V59-L310 VanDerWaalsContact CG2-CB 3.5Å; V59-L310 HydrophobicContact CG2-CD1 4.37Å; V59-L311 HydrophobicContact CG2-CD2 4.21Å
60	V	96.4	Very high	92.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.6	-179.1	-176.5	0	0	0	0	109.1	I52 V55 V62 L86 T99 T105 L108	I52-V60 HydrophobicContact CD1-CG1 4.17Å; I52-V60 HydrophobicContact CG1-CG1 4.14Å; I52-V60 HydrophobicContact CG2-CG1 3.85Å; V55-V60 HydrophobicContact CG1-CG2 4.38Å; V55-V60 HydrophobicContact CG2-CG1 4.34Å; V60-V62 HydrophobicContact CG1-CG2 4.09Å; V60-L86 HydrophobicContact CB-CD1 4.11Å; V60-L86 HydrophobicContact CB-CD2 4.38Å; V60-L86 HydrophobicContact CG1-CD1 3.98Å; V60-L86 HydrophobicContact CG2-CD2 4.12Å; V60-T99 PolarHBondContact N-O 3.11Å; V60-T99 WeakPolarHBondContact O-CA 3.43Å; V60-T99 WeakPolarHBondContact O-CB 3.35Å; V60-T99 PolarHBondContact O-N 3.4Å; V60-T99 PolarHBondContact O-OG1 3.28Å; V60-T105 HydrophobicContact CG2-CG2 3.94Å; V60-L108 HydrophobicContact CG2-CD1 3.82Å
61	D	96.7	Very high	92.4	Very high	14 Å²	14	51.3 Å²	51.3	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.3	175	-67.7	-20	0	0	0	108.8	V53 A54 T96 V97 R98	V53-D61 PolarHBondContact N-O 3.49Å; A54-D61 HydrophobicContact CB-CB 4.15Å; A54-D61 PolarHBondContact N-O 3.13Å; A54-D61 PolarHBondContact O-N 2.94Å; D61-T96 HydrophobicContact CB-CG2 4.11Å; D61-V97 WeakPolarHBondContact CA-O 3.2Å; D61-R98 WeakPolarHBondContact OD1-CA 3.38Å; D61-R98 VanDerWaalsContact OD1-CB 3.28Å; D61-R98 WeakPolarHBondContact OD1-CB 3.46Å; D61-R98 VanDerWaalsContact OD1-CG 3.25Å; D61-R98 WeakPolarHBondContact OD1-CG 3.38Å; D61-R98 IonicContact OD1-CZ 3.7Å; D61-R98 IonicContact OD1-NE 2.84Å; D61-R98 PolarHBondContact OD1-NE 3.48Å; D61-R98 IonicContact OD1-NH2 3.64Å; D61-R98 IonicContact OD2-CZ 3.83Å; D61-R98 IonicContact OD2-NE 3.69Å; D61-R98 IonicContact OD2-NH2 3.03Å; D61-R98 PolarHBondContact OD2-NH2 3.28Å
62	V	96.6	Very high	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.9	-176.6	-175.1	0	0	0	0	109	R51 V60 F64 L75 L86 T96 V97 T99 V114	R51-V62 WeakPolarHBondContact O-CA 3.42Å; V60-V62 HydrophobicContact CG1-CG2 4.09Å; V62-F64 HydrophobicContact CB-CE2 4.11Å; V62-F64 HydrophobicContact CG1-CD2 4.15Å; V62-F64 HydrophobicContact CG1-CE2 3.53Å; V62-F64 HydrophobicContact CG1-CZ 4.01Å; V62-L75 HydrophobicContact CB-CD1 4.44Å; V62-L75 HydrophobicContact CG2-CD1 4.35Å; V62-L86 HydrophobicContact CG2-CD1 4.08Å; V62-T96 WeakPolarHBondContact O-CA 3.37Å; V62-V97 HydrophobicContact CB-CG2 4.05Å; V62-V97 PolarHBondContact N-O 3.24Å; V62-V97 WeakPolarHBondContact O-CG2 3.39Å; V62-V97 PolarHBondContact O-N 3.3Å; V62-T99 HydrophobicContact CG2-CG2 4.33Å; V62-V114 HydrophobicContact CG1-CB 3.79Å; V62-V114 HydrophobicContact CG1-CG1 4.05Å; V62-V114 HydrophobicContact CG1-CG2 3.91Å; V62-V114 HydrophobicContact CG2-CG1 4.45Å; V62-V114 HydrophobicContact CG2-CG2 4.1Å
63	Q	95.7	Very high	92.3	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.6	176.4	-178.7	173.1	48.6	0	0	110.5	G50 R51 V53 E94 N95	G50-Q63 CarbonylContact C-O 3.43Å; G50-Q63 WeakPolarHBondContact CA-O 3.19Å; R51-Q63 PolarHBondContact N-O 2.87Å; R51-Q63 PolarHBondContact O-N 3.31Å; V53-Q63 HydrophobicContact CG2-CB 3.39Å; Q63-E94 PolarHBondContact NE2-O 3.03Å; Q63-E94 VanDerWaalsContact NE2-O 3.12Å; Q63-N95 WeakPolarHBondContact CA-O 3.36Å
64	F	94.1	Very high	92.3	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.7	177	-74	-96.7	0	0	0	110.1	A48 H49 V62 L68 P69 L75 N95 V97 D116	A48-F64 HydrophobicContact CB-CD1 3.95Å; A48-F64 HydrophobicContact CB-CE1 4.07Å; H49-F64 WeakPolarHBondContact O-CD1 3.47Å; V62-F64 HydrophobicContact CB-CE2 4.11Å; V62-F64 HydrophobicContact CG1-CD2 4.15Å; V62-F64 HydrophobicContact CG1-CE2 3.53Å; V62-F64 HydrophobicContact CG1-CZ 4.01Å; F64-L68 HydrophobicContact CB-CD1 4.44Å; F64-P69 HydrophobicContact CD1-CG 4.27Å; F64-P69 HydrophobicContact CD2-CG 4.2Å; F64-P69 HydrophobicContact CE1-CG 3.78Å; F64-P69 HydrophobicContact CE2-CG 3.72Å; F64-P69 HydrophobicContact CG-CG 4.47Å; F64-P69 HydrophobicContact CZ-CG 3.49Å; F64-P69 VanDerWaalsContact CZ-CG 3.49Å; F64-L75 HydrophobicContact CE2-CD1 4.03Å; F64-L75 HydrophobicContact CZ-CD1 3.94Å; F64-L75 HydrophobicContact CZ-CD2 4.02Å; F64-N95 PolarHBondContact N-O 3.09Å; F64-N95 WeakPolarHBondContact O-CB 3.42Å; F64-V97 HydrophobicContact CD2-CG2 4.16Å; F64-V97 HydrophobicContact CE2-CG2 3.72Å; F64-D116 HydrophobicContact CE1-CB 4.19Å
65	D	85.1	Confident	92.3	Very high	104 Å²	104	43 Å²	43	56%	0.556	25%	0.251	S	S	*	.	S	Bend	trans	-72.7	-46.7	177.4	-66.5	-37.5	0	0	0	110.1	N95	D65-N95 PolarHBondContact O-ND2 3.38Å
66	E	80.9	Confident	92.4	Very high	169 Å²	169	43.6 Å²	43.6	79%	0.79	25%	0.25	S	S	*	.	S	Bend	trans	-144.8	151.7	173.9	-66.2	-174.5	171.9	0	0	110.1
67	G	79	Confident	92.4	Very high	52 Å²	52	39.8 Å²	39.8	54%	0.536	23%	0.231	S	C	.	.			trans	74.1	84.7	177.1	0	0	0	0	0	113	P69	G67-P69 WeakPolarHBondContact O-CD 3.33Å
68	L	89.1	Confident	92.4	Very high	63 Å²	63	39.5 Å²	39.5	33%	0.33	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-73.9	122.8	179	-148.8	75.1	0	0	0	110.4	F64 H91 N95 V97	F64-L68 HydrophobicContact CB-CD1 4.44Å; L68-H91 HydrophobicContact CD2-CB 4.13Å; L68-N95 VanDerWaalsContact CD1-CA 3.48Å; L68-N95 HydrophobicContact CD1-CB 4.02Å; L68-N95 WeakPolarHBondContact CD1-O 3.49Å; L68-V97 HydrophobicContact CD1-CG1 3.82Å; L68-V97 HydrophobicContact CD2-CG1 4.1Å; L68-V97 HydrophobicContact CG-CG1 3.66Å
69	P	91.8	Very high	91.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63.3	143.3	178.6	-23.6	34.5	0	0	0	111.6	F64 G67 N73 L75 V88 H91 D116	F64-P69 HydrophobicContact CD1-CG 4.27Å; F64-P69 HydrophobicContact CD2-CG 4.2Å; F64-P69 HydrophobicContact CE1-CG 3.78Å; F64-P69 HydrophobicContact CE2-CG 3.72Å; F64-P69 HydrophobicContact CG-CG 4.47Å; F64-P69 HydrophobicContact CZ-CG 3.49Å; F64-P69 VanDerWaalsContact CZ-CG 3.49Å; G67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-N73 HydrophobicContact CB-CB 4.19Å; P69-L75 HydrophobicContact CB-CD2 3.97Å; P69-L75 HydrophobicContact CG-CD2 3.81Å; P69-V88 HydrophobicContact CB-CG2 4.27Å; P69-H91 PolarHBondContact O-CE1 3.02Å; P69-H91 PolarHBondContact O-NE2 3.06Å; P69-D116 HydrophobicContact CG-CB 4Å
70	P	92.6	Very high	91.4	Very high	67 Å²	67	46 Å²	46	44%	0.435	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-57.5	161.3	174.1	-23.9	34.2	0	0	0	112.9	N73 V88	P70-N73 WeakPolarHBondContact O-CB 3.04Å; P70-N73 PolarHBondContact O-N 3.5Å; P70-V88 WeakPolarHBondContact O-CB 3.33Å
71	I	93.7	Very high	90.7	Very high	92 Å²	92	56 Å²	56	47%	0.472	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	144.8	168.9	-56	177.5	0	0	0	108.1	N73	I71-N73 PolarHBondContact O-N 3.3Å
72	L	94.4	Very high	90.2	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.236	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-2	-175.3	-46	178.3	0	0	0	115.6	V88 P120 H156	L72-V88 WeakPolarHBondContact CA-O 3.25Å; L72-V88 PolarHBondContact N-O 3.11Å; L72-P120 VanDerWaalsContact O-CA 3.3Å; L72-P120 WeakPolarHBondContact O-CA 3.21Å; L72-P120 WeakPolarHBondContact O-CB 3.34Å; L72-H156 HydrophobicContact CD1-CB 4.07Å
73	N	94.1	Very high	90	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.027	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.4	174.8	-124	32.7	0	0	0	111.7	P69 P70 I71 E87 V88 D116 G118 D119	P69-N73 HydrophobicContact CB-CB 4.19Å; P70-N73 WeakPolarHBondContact O-CB 3.04Å; P70-N73 PolarHBondContact O-N 3.5Å; I71-N73 PolarHBondContact O-N 3.3Å; N73-E87 WeakPolarHBondContact O-CA 3.33Å; N73-V88 HydrophobicContact CB-CG2 4.45Å; N73-V88 PolarHBondContact O-N 3.28Å; N73-D116 PolarHBondContact ND2-OD1 2.89Å; N73-G118 VanDerWaalsContact ND2-C 3.26Å; N73-G118 VanDerWaalsContact ND2-CA 3.32Å; N73-G118 WeakPolarHBondContact ND2-CA 3.35Å; N73-G118 PolarHBondContact ND2-N 2.93Å; N73-G118 PolarHBondContact OD1-O 3.23Å; N73-D119 WeakPolarHBondContact OD1-CA 3.38Å; N73-D119 PolarHBondContact OD1-N 3.45Å; N73-D119 PolarHBondContact OD1-O 3.3Å
74	A	95.7	Very high	89.9	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.041	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.8	171.5	0	0	0	0	0	110.6	V85 L86 T117 D119 I121	A74-V85 HydrophobicContact CB-CG1 3.93Å; A74-L86 CarbonylContact C-O 3.52Å; A74-L86 WeakPolarHBondContact CA-O 3.41Å; A74-T117 HydrophobicContact CB-CG2 4.21Å; A74-T117 WeakPolarHBondContact O-CG2 3.49Å; A74-T117 PolarHBondContact O-N 3.33Å; A74-T117 PolarHBondContact O-OG1 3.38Å; A74-D119 PolarHBondContact N-O 3.39Å; A74-I121 HydrophobicContact CB-CG1 3.85Å
75	L	95.3	Very high	90	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.3	171.9	-42.9	179.7	0	0	0	109.1	V62 F64 P69 V85 L86 V88 V97 T99 V114 V115 D116	V62-L75 HydrophobicContact CB-CD1 4.44Å; V62-L75 HydrophobicContact CG2-CD1 4.35Å; F64-L75 HydrophobicContact CE2-CD1 4.03Å; F64-L75 HydrophobicContact CZ-CD1 3.94Å; F64-L75 HydrophobicContact CZ-CD2 4.02Å; P69-L75 HydrophobicContact CB-CD2 3.97Å; P69-L75 HydrophobicContact CG-CD2 3.81Å; L75-V85 CarbonylContact O-C 3.43Å; L75-V85 WeakPolarHBondContact O-CA 3.1Å; L75-L86 HydrophobicContact CB-CB 4.28Å; L75-L86 PolarHBondContact N-O 3.14Å; L75-L86 PolarHBondContact O-N 3.45Å; L75-V88 HydrophobicContact CD1-CG2 3.92Å; L75-V88 HydrophobicContact CD2-CG2 4.03Å; L75-V88 HydrophobicContact CG-CG2 3.91Å; L75-V97 HydrophobicContact CD1-CG2 4.18Å; L75-T99 HydrophobicContact CD1-CG2 3.72Å; L75-V114 HydrophobicContact CB-CG1 3.52Å; L75-V114 HydrophobicContact CD1-CG1 3.93Å; L75-V114 HydrophobicContact CG-CG1 4.34Å; L75-V115 CarbonylContact C-O 3.57Å; L75-V115 WeakPolarHBondContact CA-O 3.3Å; L75-D116 HydrophobicContact CD2-CB 3.92Å
76	E	95.6	Very high	90.6	Very high	66 Å²	66	54.7 Å²	54.7	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	177.6	-66.8	-168.1	167.8	0	0	111.4	R83 V85 V114 V115 T117	E76-R83 IonicContact OE1-CZ 3.85Å; E76-R83 VanDerWaalsContact OE1-CZ 3.26Å; E76-R83 IonicContact OE1-NE 3.67Å; E76-R83 PolarHBondContact OE1-NE 2.94Å; E76-R83 IonicContact OE1-NH2 2.7Å; E76-R83 PolarHBondContact OE1-NH2 2.99Å; E76-V85 HydrophobicContact CG-CG2 4.47Å; E76-V114 CarbonylContact O-C 3.49Å; E76-V114 WeakPolarHBondContact O-CA 3.47Å; E76-V115 PolarHBondContact N-O 2.91Å; E76-V115 PolarHBondContact O-N 3.47Å; E76-T117 HydrophobicContact CG-CG2 3.83Å
77	V	94.3	Very high	91.4	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.8	175.8	-174.1	0	0	0	0	109.7	I52 L84 L86 L108 Q112 V114	I52-V77 HydrophobicContact CD1-CG1 4.26Å; V77-L84 HydrophobicContact CB-CB 4.37Å; V77-L84 HydrophobicContact CB-CD2 4.33Å; V77-L84 HydrophobicContact CG2-CB 4.42Å; V77-L84 HydrophobicContact CG2-CD2 3.83Å; V77-L84 HydrophobicContact CG2-CG 4.12Å; V77-L84 PolarHBondContact N-O 3.32Å; V77-L84 VanDerWaalsContact N-O 3.13Å; V77-L86 HydrophobicContact CG2-CD1 3.66Å; V77-L86 HydrophobicContact CG2-CD2 4.42Å; V77-L86 HydrophobicContact CG2-CG 3.91Å; V77-L108 HydrophobicContact CG1-CD2 3.89Å; V77-L108 HydrophobicContact CG2-CD2 4.5Å; V77-Q112 VanDerWaalsContact CG1-CD 3.45Å; V77-Q112 HydrophobicContact CG1-CG 3.82Å; V77-V114 HydrophobicContact CG2-CG2 4.33Å
78	A	90.3	Very high	92.2	Very high	41 Å²	41	44.2 Å²	44.2	34%	0.339	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	149.2	-178.5	0	0	0	0	0	112.5	Q112 K113	A78-Q112 PolarHBondContact O-NE2 2.69Å; A78-K113 HydrophobicContact CB-CB 4.33Å; A78-K113 PolarHBondContact N-O 3.38Å
79	G	82.3	Confident	92.4	Very high	84 Å²	84	42 Å²	42	87%	0.866	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	25.9	170.2	0	0	0	0	0	115.2
80	R	85.8	Confident	92.5	Very high	66 Å²	66	44.2 Å²	44.2	25%	0.249	25%	0.249	C	C	.	.			trans	-105.2	152.3	169.5	-68.6	179	67.4	108	-6.5	110.5	S82 G104 E106 L108	R80-S82 WeakPolarHBondContact CB-O 3.49Å; R80-G104 PolarHBondContact NH2-O 3.01Å; R80-G104 VanDerWaalsContact NH2-O 3.17Å; R80-E106 PolarHBondContact NH1-O 3.2Å; R80-E106 PolarHBondContact NH2-O 3.49Å; R80-L108 VanDerWaalsContact NH1-CD2 3.31Å
81	E	80.9	Confident	92.6	Very high	212 Å²	212	45 Å²	45	99%	0.991	25%	0.247	S	C	*	.	S	Bend	trans	-70.7	-44.9	171.6	-67.5	-175.5	168.4	0	0	111.1
82	S	86.6	Confident	92.5	Very high	57 Å²	57	44.3 Å²	44.3	40%	0.399	24%	0.243	S	C	.	.	S	Bend	trans	-89.5	139.7	170.4	67.4	0	0	0	0	111.2	R80 L84	R80-S82 WeakPolarHBondContact CB-O 3.49Å; S82-L84 PolarHBondContact O-N 2.97Å
83	R	92.4	Very high	92.3	Very high	107 Å²	107	44.1 Å²	44.1	40%	0.404	25%	0.253	S	S	.	.			trans	-70.2	118.4	177.4	-172.3	-170.7	-178.6	-161.8	-4.7	109.4	E76 V85 E139	E76-R83 IonicContact OE1-CZ 3.85Å; E76-R83 VanDerWaalsContact OE1-CZ 3.26Å; E76-R83 IonicContact OE1-NE 3.67Å; E76-R83 PolarHBondContact OE1-NE 2.94Å; E76-R83 IonicContact OE1-NH2 2.7Å; E76-R83 PolarHBondContact OE1-NH2 2.99Å; R83-V85 HydrophobicContact CG-CG2 4.38Å; R83-E139 WeakPolarHBondContact CD-OE1 3.06Å; R83-E139 IonicContact CZ-OE1 2.72Å; R83-E139 IonicContact NE-OE1 3.22Å; R83-E139 IonicContact NH1-OE1 3.24Å; R83-E139 PolarHBondContact NH1-OE1 3.47Å
84	L	94.7	Very high	92	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.29	C	S	.	.			trans	-110.6	116.1	175	176.6	65	0	0	0	109.9	V77 S82 L86 A101 D103 L108	V77-L84 HydrophobicContact CB-CB 4.37Å; V77-L84 HydrophobicContact CB-CD2 4.33Å; V77-L84 HydrophobicContact CG2-CB 4.42Å; V77-L84 HydrophobicContact CG2-CD2 3.83Å; V77-L84 HydrophobicContact CG2-CG 4.12Å; V77-L84 PolarHBondContact N-O 3.32Å; V77-L84 VanDerWaalsContact N-O 3.13Å; S82-L84 PolarHBondContact O-N 2.97Å; L84-L86 HydrophobicContact CD1-CD2 4.32Å; L84-L86 HydrophobicContact CD2-CD2 4.18Å; L84-L86 HydrophobicContact CG-CD2 4.06Å; L84-A101 HydrophobicContact CD1-CB 4.23Å; L84-D103 HydrophobicContact CD1-CB 3.73Å; L84-L108 HydrophobicContact CD2-CD1 3.9Å; L84-L108 HydrophobicContact CD2-CD2 3.8Å; L84-L108 HydrophobicContact CD2-CG 4.18Å
85	V	96.4	Very high	91.8	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.2	174.3	-176.9	0	0	0	0	109.5	A74 L75 E76 R83 M102 I121 I137	A74-V85 HydrophobicContact CB-CG1 3.93Å; L75-V85 CarbonylContact O-C 3.43Å; L75-V85 WeakPolarHBondContact O-CA 3.1Å; E76-V85 HydrophobicContact CG-CG2 4.47Å; R83-V85 HydrophobicContact CG-CG2 4.38Å; V85-M102 HydrophobicContact CB-CB 4.48Å; V85-M102 HydrophobicContact CB-CG 4.34Å; V85-M102 HydrophobicContact CG1-CG 4.48Å; V85-M102 WeakPolarHBondContact O-CB 3.27Å; V85-M102 WeakPolarHBondContact O-CG 3.41Å; V85-M102 PolarHBondContact O-N 3.42Å; V85-I121 HydrophobicContact CG1-CD1 4.27Å; V85-I121 HydrophobicContact CG1-CG1 4.08Å; V85-I137 HydrophobicContact CB-CG2 4.01Å; V85-I137 HydrophobicContact CG1-CG2 4.44Å; V85-I137 HydrophobicContact CG2-CD1 4.07Å; V85-I137 HydrophobicContact CG2-CG2 4Å
86	L	96.7	Very high	91.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.5	173.8	-50.2	177.5	0	0	0	108.6	V60 V62 A74 L75 V77 L84 T99 I100 A101	V60-L86 HydrophobicContact CB-CD1 4.11Å; V60-L86 HydrophobicContact CB-CD2 4.38Å; V60-L86 HydrophobicContact CG1-CD1 3.98Å; V60-L86 HydrophobicContact CG2-CD2 4.12Å; V62-L86 HydrophobicContact CG2-CD1 4.08Å; A74-L86 CarbonylContact C-O 3.52Å; A74-L86 WeakPolarHBondContact CA-O 3.41Å; L75-L86 HydrophobicContact CB-CB 4.28Å; L75-L86 PolarHBondContact N-O 3.14Å; L75-L86 PolarHBondContact O-N 3.45Å; V77-L86 HydrophobicContact CG2-CD1 3.66Å; V77-L86 HydrophobicContact CG2-CD2 4.42Å; V77-L86 HydrophobicContact CG2-CG 3.91Å; L84-L86 HydrophobicContact CD1-CD2 4.32Å; L84-L86 HydrophobicContact CD2-CD2 4.18Å; L84-L86 HydrophobicContact CG-CD2 4.06Å; L86-T99 HydrophobicContact CB-CG2 4.42Å; L86-I100 CarbonylContact C-O 3.56Å; L86-I100 WeakPolarHBondContact CA-O 3.33Å; L86-A101 HydrophobicContact CD2-CB 3.65Å
87	E	97	Very high	91.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.1	173.8	-173.4	-170.1	97.7	0	0	110.4	N73 A89 T99 I100 M102 I121 H156 R270	N73-E87 WeakPolarHBondContact O-CA 3.33Å; E87-A89 PolarHBondContact O-N 3.46Å; E87-T99 CarbonylContact O-C 3.44Å; E87-T99 WeakPolarHBondContact O-CA 3.5Å; E87-T99 VanDerWaalsContact O-CB 3.27Å; E87-T99 WeakPolarHBondContact O-CB 3.32Å; E87-I100 PolarHBondContact N-O 2.77Å; E87-I100 PolarHBondContact O-N 2.68Å; E87-M102 HydrophobicContact CB-CE 3.87Å; E87-I121 HydrophobicContact CB-CD1 4.41Å; E87-H156 IonicContact OE1-NE2 3.8Å; E87-H156 IonicContact OE2-CD2 3.42Å; E87-H156 IonicContact OE2-CE1 2.91Å; E87-H156 IonicContact OE2-NE2 3.75Å; E87-H156 PolarHBondContact OE2-NE2 2.63Å; E87-R270 VanDerWaalsContact CD-NE 3.25Å; E87-R270 IonicContact OE1-CZ 3.03Å; E87-R270 IonicContact OE1-NE 2.95Å; E87-R270 PolarHBondContact OE1-NE 3.17Å; E87-R270 IonicContact OE1-NH2 2.77Å; E87-R270 PolarHBondContact OE1-NH2 2.66Å; E87-R270 WeakPolarHBondContact OE2-CD 3.43Å; E87-R270 IonicContact OE2-CZ 3.86Å; E87-R270 IonicContact OE2-NE 3.48Å; E87-R270 PolarHBondContact OE2-NE 3.05Å
88	V	96.4	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.7	176.9	-179.1	0	0	0	0	111.1	P69 P70 L72 N73 L75 V97 T99	P69-V88 HydrophobicContact CB-CG2 4.27Å; P70-V88 WeakPolarHBondContact O-CB 3.33Å; L72-V88 WeakPolarHBondContact CA-O 3.25Å; L72-V88 PolarHBondContact N-O 3.11Å; N73-V88 HydrophobicContact CB-CG2 4.45Å; N73-V88 PolarHBondContact O-N 3.28Å; L75-V88 HydrophobicContact CD1-CG2 3.92Å; L75-V88 HydrophobicContact CD2-CG2 4.03Å; L75-V88 HydrophobicContact CG-CG2 3.91Å; V88-V97 HydrophobicContact CG1-CB 3.96Å; V88-V97 HydrophobicContact CG1-CG1 4.25Å; V88-V97 HydrophobicContact CG2-CG2 4.21Å; V88-T99 HydrophobicContact CG2-CG2 4.01Å
89	A	94.3	Very high	92.2	Very high	17 Å²	17	53 Å²	53	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-37.7	-178.8	0	0	0	0	0	113.4	E87 R98 I100 L311	E87-A89 PolarHBondContact O-N 3.46Å; A89-R98 PolarHBondContact N-O 2.84Å; A89-I100 HydrophobicContact CB-CD1 3.68Å; A89-I100 HydrophobicContact CB-CG1 3.96Å; A89-L311 HydrophobicContact CB-CD1 4.22Å; A89-L311 HydrophobicContact CB-CD2 4.04Å
90	Q	93.7	Very high	92.9	Very high	48 Å²	48	49.2 Å²	49.2	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.6	179.5	62.1	-175.7	21	0	0	112.2	L92 R98	Q90-L92 HydrophobicContact CG-CD2 4.22Å; Q90-R98 HydrophobicContact CG-CB 3.63Å; Q90-R98 HydrophobicContact CG-CG 4.24Å; Q90-R98 PolarHBondContact N-O 3.03Å; Q90-R98 PolarHBondContact O-N 2.95Å
91	H	95.2	Very high	93.4	Very high	84 Å²	84	46.1 Å²	46.1	39%	0.389	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	171.9	-61	169.8	0	0	0	109.5	L68 P69	L68-H91 HydrophobicContact CD2-CB 4.13Å; P69-H91 PolarHBondContact O-CE1 3.02Å; P69-H91 PolarHBondContact O-NE2 3.06Å
92	L	91.4	Very high	94.1	Very high	76 Å²	76	36.4 Å²	36.4	40%	0.398	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-19.2	-177.9	-62.7	-179	0	0	0	113.1	Q90 T96 R98	Q90-L92 HydrophobicContact CG-CD2 4.22Å; L92-T96 HydrophobicContact CD1-CG2 4.1Å; L92-T96 PolarHBondContact N-O 3.27Å; L92-R98 HydrophobicContact CD1-CB 4.09Å; L92-R98 HydrophobicContact CD2-CB 4.17Å; L92-R98 HydrophobicContact CG-CB 4.02Å
93	G	89	Confident	94.5	Very high	42 Å²	42	37.1 Å²	37.1	43%	0.433	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.1	175.8	-166.6	0	0	0	0	0	111.7	N95 T96	G93-N95 PolarHBondContact O-N 3.14Å; G93-N95 VanDerWaalsContact O-N 3.16Å; G93-T96 WeakPolarHBondContact O-CB 3.36Å; G93-T96 PolarHBondContact O-N 3.27Å
94	E	88.4	Confident	94.5	Very high	173 Å²	173	32.9 Å²	32.9	81%	0.808	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	40.2	-179.1	-58.1	-173.2	168.2	0	0	113.7	Q63 T96	Q63-E94 PolarHBondContact NE2-O 3.03Å; Q63-E94 VanDerWaalsContact NE2-O 3.12Å; E94-T96 PolarHBondContact O-N 3.05Å; E94-T96 VanDerWaalsContact O-N 3.11Å; E94-T96 PolarHBondContact O-OG1 3.44Å
95	N	91.6	Very high	94.4	Very high	83 Å²	83	34 Å²	34	44%	0.444	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	29.4	-173.1	-59.2	-14	0	0	0	114.7	Q63 F64 D65 L68 G93	Q63-N95 WeakPolarHBondContact CA-O 3.36Å; F64-N95 PolarHBondContact N-O 3.09Å; F64-N95 WeakPolarHBondContact O-CB 3.42Å; D65-N95 PolarHBondContact O-ND2 3.38Å; L68-N95 VanDerWaalsContact CD1-CA 3.48Å; L68-N95 HydrophobicContact CD1-CB 4.02Å; L68-N95 WeakPolarHBondContact CD1-O 3.49Å; G93-N95 PolarHBondContact O-N 3.14Å; G93-N95 VanDerWaalsContact O-N 3.16Å
96	T	94.6	Very high	94.1	Very high	16 Å²	16	40.9 Å²	40.9	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.9	178.7	-55.3	0	0	0	0	110.6	D61 V62 L92 G93 E94	D61-T96 HydrophobicContact CB-CG2 4.11Å; V62-T96 WeakPolarHBondContact O-CA 3.37Å; L92-T96 HydrophobicContact CD1-CG2 4.1Å; L92-T96 PolarHBondContact N-O 3.27Å; G93-T96 WeakPolarHBondContact O-CB 3.36Å; G93-T96 PolarHBondContact O-N 3.27Å; E94-T96 PolarHBondContact O-N 3.05Å; E94-T96 VanDerWaalsContact O-N 3.11Å; E94-T96 PolarHBondContact O-OG1 3.44Å
97	V	96	Very high	93.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.8	171.3	-57.8	0	0	0	0	109.6	D61 V62 F64 L68 L75 V88 T99	D61-V97 WeakPolarHBondContact CA-O 3.2Å; V62-V97 HydrophobicContact CB-CG2 4.05Å; V62-V97 PolarHBondContact N-O 3.24Å; V62-V97 WeakPolarHBondContact O-CG2 3.39Å; V62-V97 PolarHBondContact O-N 3.3Å; F64-V97 HydrophobicContact CD2-CG2 4.16Å; F64-V97 HydrophobicContact CE2-CG2 3.72Å; L68-V97 HydrophobicContact CD1-CG1 3.82Å; L68-V97 HydrophobicContact CD2-CG1 4.1Å; L68-V97 HydrophobicContact CG-CG1 3.66Å; L75-V97 HydrophobicContact CD1-CG2 4.18Å; V88-V97 HydrophobicContact CG1-CB 3.96Å; V88-V97 HydrophobicContact CG1-CG1 4.25Å; V88-V97 HydrophobicContact CG2-CG2 4.21Å; V97-T99 HydrophobicContact CG2-CG2 3.86Å
98	R	96.6	Very high	93.6	Very high	43 Å²	43	45.2 Å²	45.2	16%	0.162	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.7	169.7	177	161.9	-65.3	169.4	-1.6	108.9	V59 D61 A89 Q90 L92 L311	V59-R98 VanDerWaalsContact CG1-CD 3.5Å; V59-R98 HydrophobicContact CG1-CG 3.5Å; V59-R98 VanDerWaalsContact CG1-CG 3.5Å; D61-R98 WeakPolarHBondContact OD1-CA 3.38Å; D61-R98 VanDerWaalsContact OD1-CB 3.28Å; D61-R98 WeakPolarHBondContact OD1-CB 3.46Å; D61-R98 VanDerWaalsContact OD1-CG 3.25Å; D61-R98 WeakPolarHBondContact OD1-CG 3.38Å; D61-R98 IonicContact OD1-CZ 3.7Å; D61-R98 IonicContact OD1-NE 2.84Å; D61-R98 PolarHBondContact OD1-NE 3.48Å; D61-R98 IonicContact OD1-NH2 3.64Å; D61-R98 IonicContact OD2-CZ 3.83Å; D61-R98 IonicContact OD2-NE 3.69Å; D61-R98 IonicContact OD2-NH2 3.03Å; D61-R98 PolarHBondContact OD2-NH2 3.28Å; A89-R98 PolarHBondContact N-O 2.84Å; Q90-R98 HydrophobicContact CG-CB 3.63Å; Q90-R98 HydrophobicContact CG-CG 4.24Å; Q90-R98 PolarHBondContact N-O 3.03Å; Q90-R98 PolarHBondContact O-N 2.95Å; L92-R98 HydrophobicContact CD1-CB 4.09Å; L92-R98 HydrophobicContact CD2-CB 4.17Å; L92-R98 HydrophobicContact CG-CB 4.02Å; R98-L311 VanDerWaalsContact CD-CD2 3.46Å; R98-L311 HydrophobicContact CG-CD2 3.69Å; R98-L311 PolarHBondContact NH1-O 3.04Å
99	T	96.6	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	160.5	-175	70.9	0	0	0	0	112.1	V59 V60 V62 L75 L86 E87 V88 V97	V59-T99 WeakPolarHBondContact CA-O 3.48Å; V60-T99 PolarHBondContact N-O 3.11Å; V60-T99 WeakPolarHBondContact O-CA 3.43Å; V60-T99 WeakPolarHBondContact O-CB 3.35Å; V60-T99 PolarHBondContact O-N 3.4Å; V60-T99 PolarHBondContact O-OG1 3.28Å; V62-T99 HydrophobicContact CG2-CG2 4.33Å; L75-T99 HydrophobicContact CD1-CG2 3.72Å; L86-T99 HydrophobicContact CB-CG2 4.42Å; E87-T99 CarbonylContact O-C 3.44Å; E87-T99 WeakPolarHBondContact O-CA 3.5Å; E87-T99 VanDerWaalsContact O-CB 3.27Å; E87-T99 WeakPolarHBondContact O-CB 3.32Å; V88-T99 HydrophobicContact CG2-CG2 4.01Å; V97-T99 HydrophobicContact CG2-CG2 3.86Å
100	I	96.6	Very high	93.5	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.6	175.5	-58.3	158.4	0	0	0	107.7	L86 E87 A89 M102 G266 V307 L311	L86-I100 CarbonylContact C-O 3.56Å; L86-I100 WeakPolarHBondContact CA-O 3.33Å; E87-I100 PolarHBondContact N-O 2.77Å; E87-I100 PolarHBondContact O-N 2.68Å; A89-I100 HydrophobicContact CB-CD1 3.68Å; A89-I100 HydrophobicContact CB-CG1 3.96Å; I100-M102 HydrophobicContact CB-CE 4.2Å; I100-M102 HydrophobicContact CG2-CE 3.98Å; I100-M102 VanDerWaalsContact O-CE 3.26Å; I100-M102 WeakPolarHBondContact O-CE 3.41Å; I100-G266 VanDerWaalsContact CG2-CA 3.43Å; I100-V307 HydrophobicContact CD1-CG1 3.36Å; I100-V307 HydrophobicContact CG1-CG1 3.96Å; I100-V307 HydrophobicContact CG2-CG2 4.25Å; I100-L311 HydrophobicContact CD1-CD1 4.5Å; I100-L311 HydrophobicContact CG1-CD2 4.45Å
101	A	96.3	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.6	178.2	0	0	0	0	0	112.1	A58 L84 L86 D103 T105	A58-A101 WeakPolarHBondContact O-CB 3.4Å; A58-A101 PolarHBondContact O-N 2.94Å; L84-A101 HydrophobicContact CD1-CB 4.23Å; L86-A101 HydrophobicContact CD2-CB 3.65Å; A101-D103 WeakPolarHBondContact CB-O 3.39Å; A101-T105 HydrophobicContact CB-CG2 3.41Å; A101-T105 VanDerWaalsContact CB-CG2 3.41Å
102	M	95.6	Very high	93.4	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.039	32%	0.315	C	S	.	.	S	Bend	trans	-89	-9.3	175.1	-59	-60.2	117.2	0	0	113.1	V85 E87 I100 I121 V136 I137 A267 R270	V85-M102 HydrophobicContact CB-CB 4.48Å; V85-M102 HydrophobicContact CB-CG 4.34Å; V85-M102 HydrophobicContact CG1-CG 4.48Å; V85-M102 WeakPolarHBondContact O-CB 3.27Å; V85-M102 WeakPolarHBondContact O-CG 3.41Å; V85-M102 PolarHBondContact O-N 3.42Å; E87-M102 HydrophobicContact CB-CE 3.87Å; I100-M102 HydrophobicContact CB-CE 4.2Å; I100-M102 HydrophobicContact CG2-CE 3.98Å; I100-M102 VanDerWaalsContact O-CE 3.26Å; I100-M102 WeakPolarHBondContact O-CE 3.41Å; M102-I121 HydrophobicContact CG-CD1 3.87Å; M102-I121 HydrophobicContact SD-CD1 3.95Å; M102-V136 HydrophobicContact CB-CG1 4.25Å; M102-V136 HydrophobicContact SD-CG2 4.46Å; M102-I137 HydrophobicContact CB-CG2 4.09Å; M102-I137 HydrophobicContact CG-CG2 4.19Å; M102-A267 WeakPolarHBondContact O-CB 3.42Å; M102-R270 HydrophobicContact CE-CG 4.34Å; M102-R270 HydrophobicContact SD-CB 4.38Å; M102-R270 HydrophobicContact SD-CG 4.14Å
103	D	94.5	Very high	93.5	Very high	72 Å²	72	56.8 Å²	56.8	39%	0.385	32%	0.316	S	S	.	.	S	Bend	trans	-142.8	175.1	177.3	-165	6.1	0	0	0	109.7	L84 A101 T105	L84-D103 HydrophobicContact CD1-CB 3.73Å; A101-D103 WeakPolarHBondContact CB-O 3.39Å; D103-T105 PolarHBondContact O-N 3.33Å
104	G	92.3	Very high	93.8	Very high	18 Å²	18	54.8 Å²	54.8	19%	0.186	30%	0.295	C	S	.	.			trans	-52.1	130.1	-179.3	0	0	0	0	0	113.3	R80 E106	R80-G104 PolarHBondContact NH2-O 3.01Å; R80-G104 VanDerWaalsContact NH2-O 3.17Å; G104-E106 VanDerWaalsContact C-N 3.3Å; G104-E106 VanDerWaalsContact CA-OE2 3.24Å; G104-E106 WeakPolarHBondContact CA-OE2 3.47Å
105	T	93.4	Very high	94.1	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.153	27%	0.267	C	S	.	.			trans	-89.4	5.5	179.6	55.7	0	0	0	0	112.9	G57 V60 A101 D103 L108	G57-T105 WeakPolarHBondContact O-CB 3.47Å; G57-T105 WeakPolarHBondContact O-CG2 3.39Å; G57-T105 PolarHBondContact O-OG1 3.41Å; V60-T105 HydrophobicContact CG2-CG2 3.94Å; A101-T105 HydrophobicContact CB-CG2 3.41Å; A101-T105 VanDerWaalsContact CB-CG2 3.41Å; D103-T105 PolarHBondContact O-N 3.33Å; T105-L108 HydrophobicContact CG2-CD1 3.97Å; T105-L108 WeakPolarHBondContact O-CB 3.2Å; T105-L108 WeakPolarHBondContact O-CG 3.15Å; T105-L108 PolarHBondContact O-N 2.93Å
106	E	90.7	Very high	94.1	Very high	149 Å²	149	45.1 Å²	45.1	70%	0.696	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	140.9	174.2	-60.2	84.6	179.8	0	0	110.6	R80 G104 L108	R80-E106 PolarHBondContact NH1-O 3.2Å; R80-E106 PolarHBondContact NH2-O 3.49Å; G104-E106 VanDerWaalsContact C-N 3.3Å; G104-E106 VanDerWaalsContact CA-OE2 3.24Å; G104-E106 WeakPolarHBondContact CA-OE2 3.47Å; E106-L108 VanDerWaalsContact C-N 3.27Å; E106-L108 PolarHBondContact O-N 3.45Å
107	G	89.8	Confident	93.9	Very high	68 Å²	68	46.3 Å²	46.3	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	1.5	-179.4	0	0	0	0	0	115.5
108	L	92.9	Very high	93.6	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.126	28%	0.276	C	S	.	.			trans	-70	135.1	172	-69.6	-177	0	0	0	112	I52 V55 V60 V77 R80 L84 T105 E106	I52-L108 HydrophobicContact CD1-CB 4.41Å; I52-L108 HydrophobicContact CD1-CD1 4.24Å; I52-L108 HydrophobicContact CD1-CD2 3.87Å; I52-L108 HydrophobicContact CD1-CG 4.42Å; V55-L108 HydrophobicContact CG1-CD1 4.43Å; V55-L108 HydrophobicContact CG2-CB 3.95Å; V55-L108 HydrophobicContact CG2-CD1 4.26Å; V60-L108 HydrophobicContact CG2-CD1 3.82Å; V77-L108 HydrophobicContact CG1-CD2 3.89Å; V77-L108 HydrophobicContact CG2-CD2 4.5Å; R80-L108 VanDerWaalsContact NH1-CD2 3.31Å; L84-L108 HydrophobicContact CD2-CD1 3.9Å; L84-L108 HydrophobicContact CD2-CD2 3.8Å; L84-L108 HydrophobicContact CD2-CG 4.18Å; T105-L108 HydrophobicContact CG2-CD1 3.97Å; T105-L108 WeakPolarHBondContact O-CB 3.2Å; T105-L108 WeakPolarHBondContact O-CG 3.15Å; T105-L108 PolarHBondContact O-N 2.93Å; E106-L108 VanDerWaalsContact C-N 3.27Å; E106-L108 PolarHBondContact O-N 3.45Å
109	V	93.3	Very high	93.3	Very high	97 Å²	97	48.4 Å²	48.4	59%	0.588	28%	0.281	S	S	*	.			trans	-121.7	142.1	179.6	-173.5	0	0	0	0	110.1	Q112	V109-Q112 WeakPolarHBondContact O-CB 3.43Å; V109-Q112 PolarHBondContact O-N 3.45Å; V109-Q112 VanDerWaalsContact O-N 3.17Å
110	R	94.7	Very high	93.2	Very high	190 Å²	190	49.1 Å²	49.1	72%	0.717	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	138.6	174	-61.6	-178.2	-175.9	-177.2	-1.2	110.4	I52 V53 Q112	I52-R110 CarbonylContact O-C 3.54Å; I52-R110 WeakPolarHBondContact O-CA 3.26Å; V53-R110 VanDerWaalsContact O-CD 3.23Å; V53-R110 WeakPolarHBondContact O-CD 3.29Å; V53-R110 WeakPolarHBondContact O-CG 3.35Å; V53-R110 PolarHBondContact O-NE 3.33Å; R110-Q112 VanDerWaalsContact C-N 3.31Å
111	G	92.5	Very high	93.1	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-7.4	-174.8	0	0	0	0	0	114.3	I52 K113	I52-G111 PolarHBondContact O-N 3.23Å; G111-K113 PolarHBondContact O-N 3.06Å
112	Q	93.8	Very high	93.1	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.182	30%	0.295	C	S	.	.			trans	-60.5	138	175.3	-173	168.2	12.5	0	0	110.5	R51 I52 V77 A78 V109 R110	R51-Q112 WeakPolarHBondContact CA-O 3.19Å; I52-Q112 HydrophobicContact CD1-CB 4.03Å; I52-Q112 HydrophobicContact CG1-CB 4.37Å; I52-Q112 PolarHBondContact N-O 3.22Å; V77-Q112 VanDerWaalsContact CG1-CD 3.45Å; V77-Q112 HydrophobicContact CG1-CG 3.82Å; A78-Q112 PolarHBondContact O-NE2 2.69Å; V109-Q112 WeakPolarHBondContact O-CB 3.43Å; V109-Q112 PolarHBondContact O-N 3.45Å; V109-Q112 VanDerWaalsContact O-N 3.17Å; R110-Q112 VanDerWaalsContact C-N 3.31Å
113	K	94.4	Very high	93	Very high	96 Å²	96	51.2 Å²	51.2	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.7	-175.5	-172	178.6	-179.5	-175.5	0	110.4	H49 A78 G111	H49-K113 PolarHBondContact CD2-NZ 3.16Å; H49-K113 VanDerWaalsContact CE1-CE 3.47Å; H49-K113 WeakPolarHBondContact CE1-CE 3.41Å; H49-K113 PolarHBondContact CE1-NZ 3.44Å; H49-K113 VanDerWaalsContact CE1-NZ 3.32Å; H49-K113 WeakPolarHBondContact ND1-CE 3.4Å; H49-K113 PolarHBondContact NE2-NZ 3.13Å; A78-K113 HydrophobicContact CB-CB 4.33Å; A78-K113 PolarHBondContact N-O 3.38Å; G111-K113 PolarHBondContact O-N 3.06Å
114	V	95	Very high	93.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	174.7	-179.3	0	0	0	0	108.1	H49 G50 I52 V62 L75 E76 V77	H49-V114 WeakPolarHBondContact CA-O 3.24Å; G50-V114 PolarHBondContact N-O 3.49Å; G50-V114 PolarHBondContact O-N 2.8Å; I52-V114 HydrophobicContact CD1-CG2 4.28Å; I52-V114 HydrophobicContact CG1-CG2 3.65Å; V62-V114 HydrophobicContact CG1-CB 3.79Å; V62-V114 HydrophobicContact CG1-CG1 4.05Å; V62-V114 HydrophobicContact CG1-CG2 3.91Å; V62-V114 HydrophobicContact CG2-CG1 4.45Å; V62-V114 HydrophobicContact CG2-CG2 4.1Å; L75-V114 HydrophobicContact CB-CG1 3.52Å; L75-V114 HydrophobicContact CD1-CG1 3.93Å; L75-V114 HydrophobicContact CG-CG1 4.34Å; E76-V114 CarbonylContact O-C 3.49Å; E76-V114 WeakPolarHBondContact O-CA 3.47Å; V77-V114 HydrophobicContact CG2-CG2 4.33Å
115	V	93.9	Very high	93.2	Very high	35 Å²	35	47.7 Å²	47.7	21%	0.212	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.1	-179.7	-174.9	0	0	0	0	108	F47 L75 E76	F47-V115 HydrophobicContact CB-CG1 3.7Å; F47-V115 HydrophobicContact CG-CG1 4.05Å; L75-V115 CarbonylContact C-O 3.57Å; L75-V115 WeakPolarHBondContact CA-O 3.3Å; E76-V115 PolarHBondContact N-O 2.91Å; E76-V115 PolarHBondContact O-N 3.47Å
116	D	93.1	Very high	93.1	Very high	18 Å²	18	46.5 Å²	46.5	10%	0.096	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.9	169.6	-179.7	21	0	0	0	109.7	F47 A48 F64 P69 N73 L75 G118	F47-D116 WeakPolarHBondContact CD1-O 3.31Å; A48-D116 HydrophobicContact CB-CB 4.12Å; A48-D116 PolarHBondContact O-N 2.99Å; F64-D116 HydrophobicContact CE1-CB 4.19Å; P69-D116 HydrophobicContact CG-CB 4Å; N73-D116 PolarHBondContact ND2-OD1 2.89Å; L75-D116 HydrophobicContact CD2-CB 3.92Å; D116-G118 VanDerWaalsContact C-N 3.32Å; D116-G118 PolarHBondContact OD1-N 3.39Å
117	T	90.2	Very high	93.1	Very high	40 Å²	40	41.6 Å²	41.6	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-17.3	176.9	65.2	0	0	0	0	112.1	A74 E76 D119	A74-T117 HydrophobicContact CB-CG2 4.21Å; A74-T117 WeakPolarHBondContact O-CG2 3.49Å; A74-T117 PolarHBondContact O-N 3.33Å; A74-T117 PolarHBondContact O-OG1 3.38Å; E76-T117 HydrophobicContact CG-CG2 3.83Å; T117-D119 PolarHBondContact O-N 2.84Å; T117-D119 PolarHBondContact OG1-N 3.17Å; T117-D119 PolarHBondContact OG1-O 2.85Å
118	G	89.1	Confident	93.2	Very high	39 Å²	39	42 Å²	42	40%	0.402	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-12	-177.6	0	0	0	0	0	114.8	N73 D116	N73-G118 VanDerWaalsContact ND2-C 3.26Å; N73-G118 VanDerWaalsContact ND2-CA 3.32Å; N73-G118 WeakPolarHBondContact ND2-CA 3.35Å; N73-G118 PolarHBondContact ND2-N 2.93Å; N73-G118 PolarHBondContact OD1-O 3.23Å; D116-G118 VanDerWaalsContact C-N 3.32Å; D116-G118 PolarHBondContact OD1-N 3.39Å
119	D	90.9	Very high	93.3	Very high	48 Å²	48	40.9 Å²	40.9	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.2	178.9	-75.7	-37.8	0	0	0	110.7	N73 A74 T117 R122	N73-D119 WeakPolarHBondContact OD1-CA 3.38Å; N73-D119 PolarHBondContact OD1-N 3.45Å; N73-D119 PolarHBondContact OD1-O 3.3Å; A74-D119 PolarHBondContact N-O 3.39Å; T117-D119 PolarHBondContact O-N 2.84Å; T117-D119 PolarHBondContact OG1-N 3.17Å; T117-D119 PolarHBondContact OG1-O 2.85Å; D119-R122 HydrophobicContact CB-CG 4.15Å; D119-R122 WeakPolarHBondContact OD2-CD 2.95Å; D119-R122 IonicContact OD2-CZ 3.79Å; D119-R122 IonicContact OD2-NH1 3.48Å; D119-R122 PolarHBondContact OD2-NH1 3.39Å
120	P	94.4	Very high	93.2	Very high	15 Å²	15	37.4 Å²	37.4	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	174.8	164.9	-21.5	33	0	0	0	112.3	L72 R122 A154	L72-P120 VanDerWaalsContact O-CA 3.3Å; L72-P120 WeakPolarHBondContact O-CA 3.21Å; L72-P120 WeakPolarHBondContact O-CB 3.34Å; P120-R122 WeakPolarHBondContact O-CG 3.24Å; P120-R122 PolarHBondContact O-N 3.46Å; P120-A154 HydrophobicContact CB-CB 4.11Å; P120-A154 HydrophobicContact CG-CB 4.26Å
121	I	95.3	Very high	93.1	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	17%	0.166	C	C	.	.			trans	-57.4	118.7	173.7	-60.3	173.8	0	0	0	108.7	A74 V85 E87 M102 I123 I137 A154 I155	A74-I121 HydrophobicContact CB-CG1 3.85Å; V85-I121 HydrophobicContact CG1-CD1 4.27Å; V85-I121 HydrophobicContact CG1-CG1 4.08Å; E87-I121 HydrophobicContact CB-CD1 4.41Å; M102-I121 HydrophobicContact CG-CD1 3.87Å; M102-I121 HydrophobicContact SD-CD1 3.95Å; I121-I123 HydrophobicContact CG2-CG2 4.29Å; I121-I137 HydrophobicContact CG2-CB 4.39Å; I121-I137 HydrophobicContact CG2-CG2 4.26Å; I121-A154 WeakPolarHBondContact O-CA 3.47Å; I121-I155 HydrophobicContact CB-CD1 3.79Å; I121-I155 HydrophobicContact CB-CG1 4.02Å; I121-I155 HydrophobicContact CD1-CD1 4.03Å; I121-I155 HydrophobicContact CG1-CD1 4.38Å; I121-I155 HydrophobicContact CG2-CD1 4.21Å; I121-I155 HydrophobicContact CG2-CG2 4.41Å; I121-I155 PolarHBondContact O-N 3.47Å
122	R	94.4	Very high	93.2	Very high	50 Å²	50	27.5 Å²	27.5	19%	0.189	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.5	179.6	-64.4	-176.3	66.6	167.8	1.7	110.4	S39 D119 P120 T152 A153 A154	S39-R122 PolarHBondContact O-NH2 3.24Å; S39-R122 PolarHBondContact OG-NH1 3.39Å; S39-R122 PolarHBondContact OG-NH2 3.15Å; D119-R122 HydrophobicContact CB-CG 4.15Å; D119-R122 WeakPolarHBondContact OD2-CD 2.95Å; D119-R122 IonicContact OD2-CZ 3.79Å; D119-R122 IonicContact OD2-NH1 3.48Å; D119-R122 PolarHBondContact OD2-NH1 3.39Å; P120-R122 WeakPolarHBondContact O-CG 3.24Å; P120-R122 PolarHBondContact O-N 3.46Å; R122-T152 PolarHBondContact NE-OG1 3.26Å; R122-T152 PolarHBondContact NH2-O 2.87Å; R122-T152 VanDerWaalsContact NH2-O 3.1Å; R122-T152 PolarHBondContact NH2-OG1 3.34Å; R122-A153 CarbonylContact C-O 3.25Å; R122-A153 VanDerWaalsContact CA-O 3.28Å; R122-A153 WeakPolarHBondContact CA-O 3.5Å; R122-A154 HydrophobicContact CG-CB 4.45Å
123	I	95.3	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.9	-175.3	65.7	165.7	0	0	0	110.7	I121 V125 T152 A153 I155 T274 T277 V278	I121-I123 HydrophobicContact CG2-CG2 4.29Å; I123-V125 HydrophobicContact CD1-CG1 4.4Å; I123-V125 HydrophobicContact CG1-CG1 4.22Å; I123-T152 CarbonylContact O-C 3.54Å; I123-T152 WeakPolarHBondContact O-CA 3.3Å; I123-T152 VanDerWaalsContact O-CB 3.3Å; I123-T152 WeakPolarHBondContact O-CB 3.38Å; I123-A153 PolarHBondContact N-O 3.49Å; I123-A153 PolarHBondContact O-N 2.9Å; I123-I155 HydrophobicContact CD1-CG2 4.2Å; I123-I155 HydrophobicContact CG1-CG2 4.21Å; I123-I155 HydrophobicContact CG2-CG2 3.69Å; I123-T274 HydrophobicContact CD1-CG2 3.6Å; I123-T274 WeakPolarHBondContact CD1-O 3.49Å; I123-T274 HydrophobicContact CG2-CG2 4.11Å; I123-T277 HydrophobicContact CD1-CG2 3.97Å; I123-T277 HydrophobicContact CG1-CG2 4.17Å; I123-V278 HydrophobicContact CD1-CG2 3.86Å
124	P	95.4	Very high	93.3	Very high	16 Å²	16	21.8 Å²	21.8	10%	0.104	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.9	171.2	30.2	-33.5	0	0	0	110.3	T129 M134 G138 I147 T149	P124-T129 WeakPolarHBondContact O-CG2 3.3Å; P124-M134 HydrophobicContact CG-CE 4.04Å; P124-G138 VanDerWaalsContact CD-O 3.23Å; P124-G138 WeakPolarHBondContact CD-O 3.33Å; P124-G138 VanDerWaalsContact CG-O 3.23Å; P124-G138 WeakPolarHBondContact CG-O 3.26Å; P124-I147 HydrophobicContact CB-CB 4.49Å; P124-I147 HydrophobicContact CB-CG2 4.08Å; P124-I147 HydrophobicContact CG-CB 4.38Å; P124-I147 HydrophobicContact CG-CD1 4.23Å; P124-I147 HydrophobicContact CG-CG2 4.32Å; P124-T149 HydrophobicContact CB-CG2 3.27Å
125	V	94.4	Very high	93.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	163.4	174.3	-65.6	0	0	0	0	109.4	Y38 I123 T149 Q151 A153 T277 Y281	Y38-V125 HydrophobicContact CD1-CG2 4.26Å; I123-V125 HydrophobicContact CD1-CG1 4.4Å; I123-V125 HydrophobicContact CG1-CG1 4.22Å; V125-T149 WeakPolarHBondContact O-CB 3.35Å; V125-T149 PolarHBondContact O-OG1 3.29Å; V125-Q151 HydrophobicContact CG2-CB 4.13Å; V125-Q151 PolarHBondContact N-O 2.58Å; V125-A153 HydrophobicContact CG1-CB 3.92Å; V125-A153 HydrophobicContact CG2-CB 4.09Å; V125-T277 HydrophobicContact CG1-CG2 4.32Å; V125-Y281 HydrophobicContact CB-CD2 3.82Å; V125-Y281 HydrophobicContact CB-CG 3.85Å; V125-Y281 HydrophobicContact CG2-CD2 3.45Å; V125-Y281 VanDerWaalsContact CG2-CD2 3.45Å; V125-Y281 HydrophobicContact CG2-CE2 3.94Å; V125-Y281 HydrophobicContact CG2-CG 4.03Å
126	G	91.4	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	125.3	167.5	-176.8	0	0	0	0	0	113.9	E128 T129 Y281	G126-E128 WeakPolarHBondContact CA-OE2 3.28Å; G126-E128 PolarHBondContact O-N 2.91Å; G126-E128 VanDerWaalsContact O-N 3.1Å; G126-T129 WeakPolarHBondContact O-CB 3.38Å; G126-T129 PolarHBondContact O-N 2.69Å; G126-T129 PolarHBondContact O-OG1 3.38Å; G126-Y281 VanDerWaalsContact CA-CE1 3.42Å
127	P	91.6	Very high	93.5	Very high	46 Å²	46	21.4 Å²	21.4	30%	0.299	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-55.7	-23.8	171.6	-23	34.5	0	0	0	113.1	T129 L130	P127-T129 PolarHBondContact O-N 3.04Å; P127-T129 VanDerWaalsContact O-N 3.14Å; P127-L130 HydrophobicContact CB-CD1 4.21Å; P127-L130 VanDerWaalsContact O-CB 3.26Å; P127-L130 WeakPolarHBondContact O-CB 3.38Å; P127-L130 WeakPolarHBondContact O-CD1 3.46Å; P127-L130 VanDerWaalsContact O-CG 3.26Å; P127-L130 WeakPolarHBondContact O-CG 3.44Å; P127-L130 PolarHBondContact O-N 2.91Å
128	E	91.8	Very high	93.7	Very high	78 Å²	78	19.8 Å²	19.8	36%	0.364	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-66.5	-12.1	177.7	-56	91.4	158.9	0	0	113.6	G126	G126-E128 WeakPolarHBondContact CA-OE2 3.28Å; G126-E128 PolarHBondContact O-N 2.91Å; G126-E128 VanDerWaalsContact O-N 3.1Å
129	T	93.6	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-83.5	-12.8	173.6	66.2	0	0	0	0	113.1	P124 G126 P127 R132 M134 I147 A255	P124-T129 WeakPolarHBondContact O-CG2 3.3Å; G126-T129 WeakPolarHBondContact O-CB 3.38Å; G126-T129 PolarHBondContact O-N 2.69Å; G126-T129 PolarHBondContact O-OG1 3.38Å; P127-T129 PolarHBondContact O-N 3.04Å; P127-T129 VanDerWaalsContact O-N 3.14Å; T129-R132 WeakPolarHBondContact O-CB 3.44Å; T129-R132 PolarHBondContact O-N 3.46Å; T129-M134 HydrophobicContact CG2-CE 3.68Å; T129-I147 HydrophobicContact CG2-CG2 4.28Å; T129-A255 WeakPolarHBondContact O-CB 3.32Å
130	L	92.4	Very high	94.1	Very high	23 Å²	23	20.8 Å²	20.8	12%	0.12	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	134.3	-179.3	-61.8	168.1	0	0	0	111	P127 R132 Y219 F282	P127-L130 HydrophobicContact CB-CD1 4.21Å; P127-L130 VanDerWaalsContact O-CB 3.26Å; P127-L130 WeakPolarHBondContact O-CB 3.38Å; P127-L130 WeakPolarHBondContact O-CD1 3.46Å; P127-L130 VanDerWaalsContact O-CG 3.26Å; P127-L130 WeakPolarHBondContact O-CG 3.44Å; P127-L130 PolarHBondContact O-N 2.91Å; L130-R132 PolarHBondContact O-N 2.91Å; L130-Y219 HydrophobicContact CD1-CD1 3.62Å; L130-Y219 HydrophobicContact CD1-CE1 3.25Å; L130-Y219 HydrophobicContact CD1-CE2 4.26Å; L130-Y219 HydrophobicContact CD1-CG 4.27Å; L130-Y219 HydrophobicContact CD2-CD1 3.75Å; L130-Y219 HydrophobicContact CD2-CE1 4.29Å; L130-Y219 HydrophobicContact CD2-CG 4.05Å; L130-Y219 HydrophobicContact CG-CD1 4.36Å; L130-Y219 HydrophobicContact CG-CE1 4.42Å; L130-F282 HydrophobicContact CD2-CE2 4.28Å; L130-F282 HydrophobicContact CD2-CZ 3.91Å; L130-F282 HydrophobicContact CG-CZ 4.12Å
131	G	91.3	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9	-176.4	0	0	0	0	0	114.3	R144 V254	G131-R144 PolarHBondContact O-NH1 3.1Å; G131-R144 VanDerWaalsContact O-NH1 3.13Å; G131-V254 PolarHBondContact N-O 3.26Å
132	R	94.8	Very high	94	Very high	28 Å²	28	24.5 Å²	24.5	11%	0.106	13%	0.127	C	C	.	.			trans	-105.5	154.1	178.2	-51.5	-56.9	-55.6	-85	-5.3	110.9	T129 L130 D142 G145 P146 I147 L256	T129-R132 WeakPolarHBondContact O-CB 3.44Å; T129-R132 PolarHBondContact O-N 3.46Å; L130-R132 PolarHBondContact O-N 2.91Å; R132-D142 WeakPolarHBondContact CA-OD2 3.41Å; R132-D142 IonicContact CZ-OD1 2.93Å; R132-D142 IonicContact CZ-OD2 2.81Å; R132-D142 IonicContact NE-OD1 2.68Å; R132-D142 IonicContact NE-OD2 3.26Å; R132-D142 PolarHBondContact NE-OD2 3.05Å; R132-D142 IonicContact NH2-OD1 3.79Å; R132-D142 PolarHBondContact NH2-OD1 3.5Å; R132-D142 IonicContact NH2-OD2 3.75Å; R132-D142 PolarHBondContact NH2-OD2 2.7Å; R132-G145 PolarHBondContact NH2-O 2.75Å; R132-P146 PolarHBondContact NH1-O 2.88Å; R132-I147 HydrophobicContact CB-CD1 4.13Å; R132-I147 HydrophobicContact CB-CG1 4.42Å; R132-I147 HydrophobicContact CG-CG1 4.32Å; R132-L256 PolarHBondContact O-N 3.23Å
133	I	95.4	Very high	93.9	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.077	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.1	170	-46.5	176.2	0	0	0	108.6	P140 I141 D142 Y236 L256 Y258	I133-P140 CarbonylContact O-C 3.57Å; I133-P140 VanDerWaalsContact O-CA 3.27Å; I133-P140 WeakPolarHBondContact O-CA 3.25Å; I133-I141 HydrophobicContact CB-CG1 3.95Å; I133-I141 HydrophobicContact CG2-CD1 3.7Å; I133-I141 HydrophobicContact CG2-CG1 3.47Å; I133-I141 VanDerWaalsContact CG2-CG1 3.47Å; I133-I141 PolarHBondContact O-N 2.92Å; I133-D142 HydrophobicContact CB-CB 4.02Å; I133-D142 HydrophobicContact CD1-CB 4.16Å; I133-D142 HydrophobicContact CG1-CB 4Å; I133-D142 PolarHBondContact N-OD2 3.35Å; I133-Y236 HydrophobicContact CD1-CD1 3.96Å; I133-Y236 HydrophobicContact CD1-CD2 3.79Å; I133-Y236 HydrophobicContact CD1-CE1 4.07Å; I133-Y236 HydrophobicContact CD1-CE2 3.91Å; I133-Y236 HydrophobicContact CD1-CG 3.79Å; I133-Y236 HydrophobicContact CG1-CD2 4.13Å; I133-Y236 HydrophobicContact CG1-CE2 4.04Å; I133-L256 CarbonylContact C-O 3.52Å; I133-L256 WeakPolarHBondContact CA-O 3.25Å; I133-L256 HydrophobicContact CB-CB 4.42Å; I133-L256 HydrophobicContact CD1-CD1 4.45Å; I133-L256 HydrophobicContact CG1-CB 4.16Å; I133-L256 HydrophobicContact CG1-CD1 3.95Å; I133-L256 HydrophobicContact CG2-CB 4.29Å; I133-Y258 HydrophobicContact CD1-CE2 4.42Å; I133-Y258 HydrophobicContact CG2-CD2 3.39Å; I133-Y258 HydrophobicContact CG2-CE2 3.88Å; I133-Y258 HydrophobicContact CG2-CG 4.15Å
134	M	95.6	Very high	93.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.9	175.9	59.1	176.5	57.2	0	0	112.5	P124 T129 E139 I147 L256 V257 Y258 T274 V278	P124-M134 HydrophobicContact CG-CE 4.04Å; T129-M134 HydrophobicContact CG2-CE 3.68Å; M134-E139 CarbonylContact C-O 3.59Å; M134-E139 VanDerWaalsContact CA-O 3.29Å; M134-E139 WeakPolarHBondContact CA-O 3.4Å; M134-I147 HydrophobicContact CB-CD1 4.36Å; M134-I147 HydrophobicContact CE-CD1 3.75Å; M134-L256 WeakPolarHBondContact CG-O 3.22Å; M134-L256 PolarHBondContact N-O 3.32Å; M134-V257 HydrophobicContact CG-CB 4.2Å; M134-V257 HydrophobicContact CG-CG1 4.18Å; M134-V257 HydrophobicContact CG-CG2 3.71Å; M134-V257 CarbonylContact O-C 3.51Å; M134-V257 WeakPolarHBondContact O-CA 3.45Å; M134-V257 HydrophobicContact SD-CG2 3.86Å; M134-Y258 PolarHBondContact O-N 3Å; M134-T274 HydrophobicContact SD-CG2 4.38Å; M134-V278 HydrophobicContact SD-CG2 3.97Å
135	N	95.3	Very high	93.4	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.144	19%	0.193	C	C	.	.			trans	-86.6	-178.7	171.7	70.1	11.7	0	0	0	112	I137 G138 E139 I141 Y258	N135-I137 VanDerWaalsContact C-N 3.25Å; N135-I137 PolarHBondContact O-N 3.4Å; N135-I137 WeakPolarHBondContact OD1-CG1 3.37Å; N135-I137 PolarHBondContact OD1-N 3.5Å; N135-I137 VanDerWaalsContact OD1-N 3.16Å; N135-G138 PolarHBondContact O-N 3.48Å; N135-G138 PolarHBondContact OD1-N 3.19Å; N135-G138 VanDerWaalsContact OD1-N 3.12Å; N135-E139 PolarHBondContact N-O 3.41Å; N135-E139 PolarHBondContact OD1-N 2.9Å; N135-E139 PolarHBondContact OD1-O 3.14Å; N135-I141 HydrophobicContact CB-CG2 3.99Å; N135-Y258 WeakPolarHBondContact CA-O 3.49Å
136	V	95.8	Very high	93.3	Very high	3 Å²	3	42 Å²	42	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.5	-179.1	65.5	0	0	0	0	114.5	M102 G138 A267 R270 V271 T274	M102-V136 HydrophobicContact CB-CG1 4.25Å; M102-V136 HydrophobicContact SD-CG2 4.46Å; V136-G138 VanDerWaalsContact C-N 3.34Å; V136-A267 HydrophobicContact CB-CB 4.31Å; V136-A267 HydrophobicContact CG1-CB 3.75Å; V136-R270 HydrophobicContact CG2-CB 3.59Å; V136-V271 HydrophobicContact CB-CB 4.31Å; V136-V271 HydrophobicContact CG2-CB 4.29Å; V136-T274 PolarHBondContact O-OG1 3.04Å
137	I	95.1	Very high	93.3	Very high	14 Å²	14	43 Å²	43	7%	0.072	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.5	179.5	61.9	171.4	0	0	0	113.3	V85 M102 I121 N135 E139	V85-I137 HydrophobicContact CB-CG2 4.01Å; V85-I137 HydrophobicContact CG1-CG2 4.44Å; V85-I137 HydrophobicContact CG2-CD1 4.07Å; V85-I137 HydrophobicContact CG2-CG2 4Å; M102-I137 HydrophobicContact CB-CG2 4.09Å; M102-I137 HydrophobicContact CG-CG2 4.19Å; I121-I137 HydrophobicContact CG2-CB 4.39Å; I121-I137 HydrophobicContact CG2-CG2 4.26Å; N135-I137 VanDerWaalsContact C-N 3.25Å; N135-I137 PolarHBondContact O-N 3.4Å; N135-I137 WeakPolarHBondContact OD1-CG1 3.37Å; N135-I137 PolarHBondContact OD1-N 3.5Å; N135-I137 VanDerWaalsContact OD1-N 3.16Å; I137-E139 HydrophobicContact CD1-CG 4.04Å; I137-E139 HydrophobicContact CG1-CB 4.47Å; I137-E139 HydrophobicContact CG1-CG 4.03Å
138	G	93.6	Very high	93	Very high	6 Å²	6	45.4 Å²	45.4	6%	0.062	25%	0.247	C	C	.	.	S	Bend	trans	83.9	12	175.6	0	0	0	0	0	115	P124 N135 V136	P124-G138 VanDerWaalsContact CD-O 3.23Å; P124-G138 WeakPolarHBondContact CD-O 3.33Å; P124-G138 VanDerWaalsContact CG-O 3.23Å; P124-G138 WeakPolarHBondContact CG-O 3.26Å; N135-G138 PolarHBondContact O-N 3.48Å; N135-G138 PolarHBondContact OD1-N 3.19Å; N135-G138 VanDerWaalsContact OD1-N 3.12Å; V136-G138 VanDerWaalsContact C-N 3.34Å
139	E	94.7	Very high	92.7	Very high	64 Å²	64	43.4 Å²	43.4	30%	0.299	24%	0.24	S	C	.	.			trans	-83.3	138.8	175.3	-67.1	178	165.9	0	0	110.8	R83 M134 N135 I137	R83-E139 WeakPolarHBondContact CD-OE1 3.06Å; R83-E139 IonicContact CZ-OE1 2.72Å; R83-E139 IonicContact NE-OE1 3.22Å; R83-E139 IonicContact NH1-OE1 3.24Å; R83-E139 PolarHBondContact NH1-OE1 3.47Å; M134-E139 CarbonylContact C-O 3.59Å; M134-E139 VanDerWaalsContact CA-O 3.29Å; M134-E139 WeakPolarHBondContact CA-O 3.4Å; N135-E139 PolarHBondContact N-O 3.41Å; N135-E139 PolarHBondContact OD1-N 2.9Å; N135-E139 PolarHBondContact OD1-O 3.14Å; I137-E139 HydrophobicContact CD1-CG 4.04Å; I137-E139 HydrophobicContact CG1-CB 4.47Å; I137-E139 HydrophobicContact CG1-CG 4.03Å
140	P	95.4	Very high	92.1	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-70.5	133.6	177.1	26.6	-30.6	0	0	0	111.4	I133 G145 I147	I133-P140 CarbonylContact O-C 3.57Å; I133-P140 VanDerWaalsContact O-CA 3.27Å; I133-P140 WeakPolarHBondContact O-CA 3.25Å; P140-G145 WeakPolarHBondContact CG-O 3.27Å; P140-I147 HydrophobicContact CB-CD1 4.08Å; P140-I147 HydrophobicContact CB-CG1 3.95Å; P140-I147 HydrophobicContact CG-CG1 4.2Å
141	I	93.8	Very high	92	Very high	79 Å²	79	53.2 Å²	53.2	41%	0.405	28%	0.283	S	S	.	.			trans	-116	13.4	177.2	62.2	171.1	0	0	0	112.7	I133 N135	I133-I141 HydrophobicContact CB-CG1 3.95Å; I133-I141 HydrophobicContact CG2-CD1 3.7Å; I133-I141 HydrophobicContact CG2-CG1 3.47Å; I133-I141 VanDerWaalsContact CG2-CG1 3.47Å; I133-I141 PolarHBondContact O-N 2.92Å; N135-I141 HydrophobicContact CB-CG2 3.99Å
142	D	92.3	Very high	92.1	Very high	20 Å²	20	54.6 Å²	54.6	11%	0.107	29%	0.291	C	S	.	.	S	Bend	trans	-94.2	3.4	-179.1	61.5	3	0	0	0	114.2	R132 I133 R144	R132-D142 WeakPolarHBondContact CA-OD2 3.41Å; R132-D142 IonicContact CZ-OD1 2.93Å; R132-D142 IonicContact CZ-OD2 2.81Å; R132-D142 IonicContact NE-OD1 2.68Å; R132-D142 IonicContact NE-OD2 3.26Å; R132-D142 PolarHBondContact NE-OD2 3.05Å; R132-D142 IonicContact NH2-OD1 3.79Å; R132-D142 PolarHBondContact NH2-OD1 3.5Å; R132-D142 IonicContact NH2-OD2 3.75Å; R132-D142 PolarHBondContact NH2-OD2 2.7Å; I133-D142 HydrophobicContact CB-CB 4.02Å; I133-D142 HydrophobicContact CD1-CB 4.16Å; I133-D142 HydrophobicContact CG1-CB 4Å; I133-D142 PolarHBondContact N-OD2 3.35Å; D142-R144 HydrophobicContact CB-CG 4.37Å; D142-R144 WeakPolarHBondContact O-CG 3.27Å; D142-R144 PolarHBondContact O-N 2.79Å; D142-R144 VanDerWaalsContact O-N 3.1Å; D142-R144 PolarHBondContact OD1-N 3.2Å; D142-R144 VanDerWaalsContact OD1-N 3.13Å
143	E	92.3	Very high	92	Very high	195 Å²	195	53.5 Å²	53.5	91%	0.911	29%	0.288	S	S	*	.	S	Bend	trans	58.7	16.3	-176.7	-55.9	-174	163.8	0	0	114.7	G145	E143-G145 VanDerWaalsContact C-N 3.31Å; E143-G145 PolarHBondContact O-N 2.89Å
144	R	90.1	Very high	92	Very high	100 Å²	100	54.2 Å²	54.2	38%	0.377	30%	0.296	S	S	.	.	S	Bend	trans	-94.6	25	-178.6	-62.5	175.7	72.2	-164.6	-0	113.5	G131 D142 L247	G131-R144 PolarHBondContact O-NH1 3.1Å; G131-R144 VanDerWaalsContact O-NH1 3.13Å; D142-R144 HydrophobicContact CB-CG 4.37Å; D142-R144 WeakPolarHBondContact O-CG 3.27Å; D142-R144 PolarHBondContact O-N 2.79Å; D142-R144 VanDerWaalsContact O-N 3.1Å; D142-R144 PolarHBondContact OD1-N 3.2Å; D142-R144 VanDerWaalsContact OD1-N 3.13Å; R144-L247 PolarHBondContact NH2-O 3.32Å
145	G	91.7	Very high	92	Very high	38 Å²	38	54.1 Å²	54.1	39%	0.392	30%	0.296	S	S	.	.			trans	75.9	-175	-176.5	0	0	0	0	0	113.8	R132 P140 E143	R132-G145 PolarHBondContact NH2-O 2.75Å; P140-G145 WeakPolarHBondContact CG-O 3.27Å; E143-G145 VanDerWaalsContact C-N 3.31Å; E143-G145 PolarHBondContact O-N 2.89Å
146	P	91.8	Very high	92	Very high	102 Å²	102	54.3 Å²	54.3	66%	0.662	30%	0.296	S	S	*	.			trans	-68.5	150	-175.6	27.6	-34.2	0	0	0	112.9	R132 S148	R132-P146 PolarHBondContact NH1-O 2.88Å; P146-S148 PolarHBondContact O-N 3.05Å
147	I	91.3	Very high	91.8	Very high	19 Å²	19	55 Å²	55	10%	0.097	30%	0.302	C	S	.	.			trans	-79.7	104.3	169.4	-59.1	173.1	0	0	0	107.6	P124 T129 R132 M134 P140 T149	P124-I147 HydrophobicContact CB-CB 4.49Å; P124-I147 HydrophobicContact CB-CG2 4.08Å; P124-I147 HydrophobicContact CG-CB 4.38Å; P124-I147 HydrophobicContact CG-CD1 4.23Å; P124-I147 HydrophobicContact CG-CG2 4.32Å; T129-I147 HydrophobicContact CG2-CG2 4.28Å; R132-I147 HydrophobicContact CB-CD1 4.13Å; R132-I147 HydrophobicContact CB-CG1 4.42Å; R132-I147 HydrophobicContact CG-CG1 4.32Å; M134-I147 HydrophobicContact CB-CD1 4.36Å; M134-I147 HydrophobicContact CE-CD1 3.75Å; P140-I147 HydrophobicContact CB-CD1 4.08Å; P140-I147 HydrophobicContact CB-CG1 3.95Å; P140-I147 HydrophobicContact CG-CG1 4.2Å; I147-T149 PolarHBondContact O-N 3.46Å; I147-T149 VanDerWaalsContact O-N 3.09Å
148	S	84.9	Confident	91.6	Very high	97 Å²	97	59.3 Å²	59.3	68%	0.678	32%	0.322	S	S	*	.			trans	-83.8	81	-177.8	-63.1	0	0	0	0	110.7	P146	P146-S148 PolarHBondContact O-N 3.05Å
149	T	85.4	Confident	91.6	Very high	36 Å²	36	60.6 Å²	60.6	22%	0.221	33%	0.332	C	S	.	.			trans	-100.7	154.9	175.5	-179.1	0	0	0	0	112.5	P124 V125 I147 Q151 T152	P124-T149 HydrophobicContact CB-CG2 3.27Å; V125-T149 WeakPolarHBondContact O-CB 3.35Å; V125-T149 PolarHBondContact O-OG1 3.29Å; I147-T149 PolarHBondContact O-N 3.46Å; I147-T149 VanDerWaalsContact O-N 3.09Å; T149-Q151 VanDerWaalsContact CG2-O 3.25Å; T149-Q151 WeakPolarHBondContact CG2-O 3.18Å; T149-Q151 PolarHBondContact OG1-N 3.47Å; T149-Q151 PolarHBondContact OG1-O 2.9Å; T149-Q151 VanDerWaalsContact OG1-O 3.08Å; T149-T152 HydrophobicContact CG2-CG2 4.47Å
150	K	81.8	Confident	91.5	Very high	171 Å²	171	58 Å²	58	74%	0.743	32%	0.321	S	S	*	.	S	Bend	trans	-86.9	-17.4	170.6	-63.5	174.4	-174.4	165.6	0	113.2
151	Q	89.8	Confident	91.4	Very high	59 Å²	59	62.4 Å²	62.4	28%	0.276	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.1	-170.7	-58.9	-170.2	21.2	0	0	111.4	V125 T149	V125-Q151 HydrophobicContact CG2-CB 4.13Å; V125-Q151 PolarHBondContact N-O 2.58Å; T149-Q151 VanDerWaalsContact CG2-O 3.25Å; T149-Q151 WeakPolarHBondContact CG2-O 3.18Å; T149-Q151 PolarHBondContact OG1-N 3.47Å; T149-Q151 PolarHBondContact OG1-O 2.9Å; T149-Q151 VanDerWaalsContact OG1-O 3.08Å
152	T	92.5	Very high	91.3	Very high	28 Å²	28	67.3 Å²	67.3	17%	0.172	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.2	171	64	0	0	0	0	110.1	S39 R122 I123 T149	S39-T152 PolarHBondContact O-N 3.06Å; R122-T152 PolarHBondContact NE-OG1 3.26Å; R122-T152 PolarHBondContact NH2-O 2.87Å; R122-T152 VanDerWaalsContact NH2-O 3.1Å; R122-T152 PolarHBondContact NH2-OG1 3.34Å; I123-T152 CarbonylContact O-C 3.54Å; I123-T152 WeakPolarHBondContact O-CA 3.3Å; I123-T152 VanDerWaalsContact O-CB 3.3Å; I123-T152 WeakPolarHBondContact O-CB 3.38Å; T149-T152 HydrophobicContact CG2-CG2 4.47Å
153	A	94.3	Very high	91.3	Very high	5 Å²	5	70.3 Å²	70.3	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.7	-179.2	0	0	0	0	0	110.8	Y38 R122 I123 V125 T277	Y38-A153 HydrophobicContact CD1-CB 4.1Å; Y38-A153 HydrophobicContact CE1-CB 4.11Å; R122-A153 CarbonylContact C-O 3.25Å; R122-A153 VanDerWaalsContact CA-O 3.28Å; R122-A153 WeakPolarHBondContact CA-O 3.5Å; I123-A153 PolarHBondContact N-O 3.49Å; I123-A153 PolarHBondContact O-N 2.9Å; V125-A153 HydrophobicContact CG1-CB 3.92Å; V125-A153 HydrophobicContact CG2-CB 4.09Å; A153-T277 HydrophobicContact CB-CG2 3.64Å
154	A	95.7	Very high	91.1	Very high	30 Å²	30	64.7 Å²	64.7	25%	0.248	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.5	174.1	0	0	0	0	0	110.7	P120 I121 R122 H156 T277	P120-A154 HydrophobicContact CB-CB 4.11Å; P120-A154 HydrophobicContact CG-CB 4.26Å; I121-A154 WeakPolarHBondContact O-CA 3.47Å; R122-A154 HydrophobicContact CG-CB 4.45Å; A154-H156 PolarHBondContact O-N 2.84Å; A154-T277 WeakPolarHBondContact O-CG2 3.17Å
155	I	95.4	Very high	91	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-70.8	-23.9	179.6	66.7	173.7	0	0	0	113.3	I121 I123 R270 L273 T277 R334	I121-I155 HydrophobicContact CB-CD1 3.79Å; I121-I155 HydrophobicContact CB-CG1 4.02Å; I121-I155 HydrophobicContact CD1-CD1 4.03Å; I121-I155 HydrophobicContact CG1-CD1 4.38Å; I121-I155 HydrophobicContact CG2-CD1 4.21Å; I121-I155 HydrophobicContact CG2-CG2 4.41Å; I121-I155 PolarHBondContact O-N 3.47Å; I123-I155 HydrophobicContact CD1-CG2 4.2Å; I123-I155 HydrophobicContact CG1-CG2 4.21Å; I123-I155 HydrophobicContact CG2-CG2 3.69Å; I155-R270 HydrophobicContact CD1-CB 4.09Å; I155-R270 HydrophobicContact CD1-CG 4.42Å; I155-L273 HydrophobicContact CB-CB 4.27Å; I155-T277 WeakPolarHBondContact CA-OG1 3.39Å; I155-T277 PolarHBondContact O-OG1 3.37Å; I155-R334 PolarHBondContact O-NH1 2.9Å; I155-R334 PolarHBondContact O-NH2 3.41Å
156	H	94.3	Very high	90.8	Very high	30 Å²	30	63.1 Å²	63.1	14%	0.139	34%	0.344	C	S	.	.			trans	-91.9	116	176.1	-68.4	-66.5	0	0	0	109.1	L72 E87 A154	L72-H156 HydrophobicContact CD1-CB 4.07Å; E87-H156 IonicContact OE1-NE2 3.8Å; E87-H156 IonicContact OE2-CD2 3.42Å; E87-H156 IonicContact OE2-CE1 2.91Å; E87-H156 IonicContact OE2-NE2 3.75Å; E87-H156 PolarHBondContact OE2-NE2 2.63Å; A154-H156 PolarHBondContact O-N 2.84Å
157	A	91.3	Very high	90.5	Very high	19 Å²	19	64.9 Å²	64.9	16%	0.157	35%	0.352	C	S	.	.			trans	-142.2	150.3	177.4	0	0	0	0	0	109.2	R334	A157-R334 WeakPolarHBondContact O-CD 3.35Å
158	E	92.1	Very high	90.2	Very high	103 Å²	103	70.5 Å²	70.5	48%	0.481	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-72.1	152.7	170.9	-65.7	-64	153.6	0	0	110.9	L33 R36	L33-E158 HydrophobicContact CB-CG 4.07Å; R36-E158 PolarHBondContact NH2-O 2.91Å
159	A	93.4	Very high	90.1	Very high	34 Å²	34	70.5 Å²	70.5	28%	0.281	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-61.4	151.6	171	0	0	0	0	0	110.5	E333 R334	A159-E333 HydrophobicContact CB-CB 3.9Å; A159-R334 HydrophobicContact CB-CG 4.32Å
160	P	92.9	Very high	90.2	Very high	10 Å²	10	73.4 Å²	73.4	7%	0.065	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-52.5	142.6	173.7	-25.9	35.3	0	0	0	112.2	M165 T336 T338	P160-M165 VanDerWaalsContact O-CE 3.26Å; P160-M165 WeakPolarHBondContact O-CE 3.3Å; P160-T336 HydrophobicContact CB-CG2 4.27Å; P160-T336 HydrophobicContact CG-CG2 3.65Å; P160-T338 HydrophobicContact CB-CG2 4.06Å; P160-T338 HydrophobicContact CG-CG2 3.94Å
161	E	92.8	Very high	90.7	Very high	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-65.2	152.1	175	-67.8	-170.1	175	0	0	110.9	T163 D164 M165	E161-T163 PolarHBondContact O-N 2.88Å; E161-T163 VanDerWaalsContact O-N 3.1Å; E161-T163 PolarHBondContact OE2-OG1 3.13Å; E161-D164 PolarHBondContact O-N 3.25Å; E161-M165 PolarHBondContact O-N 2.79Å
162	F	91.3	Very high	90.7	Very high	181 Å²	181	65.1 Å²	65.1	79%	0.794	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-54.1	-33.6	178.2	-179.8	-100.8	0	0	0	113.2	D164 M165	F162-D164 PolarHBondContact O-N 3.24Å; F162-M165 HydrophobicContact CD2-SD 4.5Å; F162-M165 PolarHBondContact O-N 3.36Å
163	T	92.3	Very high	90.7	Very high	84 Å²	84	66.2 Å²	66.2	52%	0.515	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-66.6	-23.6	177.7	43.5	0	0	0	0	113.5	E161 K339	E161-T163 PolarHBondContact O-N 2.88Å; E161-T163 VanDerWaalsContact O-N 3.1Å; E161-T163 PolarHBondContact OE2-OG1 3.13Å; T163-K339 WeakPolarHBondContact O-CE 3.45Å; T163-K339 PolarHBondContact O-NZ 2.96Å
164	D	88.4	Confident	90.5	Very high	77 Å²	77	66.1 Å²	66.1	41%	0.412	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-97.1	-10.7	-176.8	-73.1	-24.4	0	0	0	113.5	E161 F162 T338 K339	E161-D164 PolarHBondContact O-N 3.25Å; F162-D164 PolarHBondContact O-N 3.24Å; D164-T338 CarbonylContact O-C 3.59Å; D164-T338 VanDerWaalsContact O-CA 3.25Å; D164-T338 WeakPolarHBondContact O-CA 3Å; D164-K339 PolarHBondContact O-N 3.02Å
165	M	87.5	Confident	90.4	Very high	61 Å²	61	64.8 Å²	64.8	30%	0.3	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-69.7	140	176.9	-62.3	-176.6	-173.3	0	0	111.3	P160 E161 F162	P160-M165 VanDerWaalsContact O-CE 3.26Å; P160-M165 WeakPolarHBondContact O-CE 3.3Å; E161-M165 PolarHBondContact O-N 2.79Å; F162-M165 HydrophobicContact CD2-SD 4.5Å; F162-M165 PolarHBondContact O-N 3.36Å
166	S	87.3	Confident	90.4	Very high	43 Å²	43	64.8 Å²	64.8	30%	0.301	34%	0.339	S	S	.	.			trans	-80	146.6	170.4	-171.9	0	0	0	0	111	E168 T337	S166-E168 PolarHBondContact OG-N 3.03Å; S166-T337 PolarHBondContact N-O 3.1Å; S166-T337 VanDerWaalsContact N-O 3.11Å
167	V	85.8	Confident	90.5	Very high	139 Å²	139	63.4 Å²	63.4	84%	0.842	33%	0.332	S	S	*	.			trans	-99.8	-6.8	174.2	-63.6	0	0	0	0	112.7
168	E	84.4	Confident	90.7	Very high	138 Å²	138	62.7 Å²	62.7	65%	0.645	33%	0.326	S	S	*	.			trans	-79.7	126	-177.2	-67.3	179.1	166.8	0	0	110.3	S166	S166-E168 PolarHBondContact OG-N 3.03Å
169	Q	84.1	Confident	90.9	Very high	96 Å²	96	57.8 Å²	57.8	45%	0.449	30%	0.303	S	S	.	.			trans	-105.5	102.6	176.3	-65.6	-172.4	-40	0	0	108.6	I401	Q169-I401 HydrophobicContact CB-CG2 4.45Å
170	E	87.3	Confident	91	Very high	97 Å²	97	56.2 Å²	56.2	45%	0.453	29%	0.29	S	S	.	.			trans	-111.7	149.8	178.7	-61.9	-174.4	158.4	0	0	110.8	A186 K187	E170-A186 WeakPolarHBondContact O-CA 3.03Å; E170-K187 HydrophobicContact CB-CB 4.23Å; E170-K187 PolarHBondContact O-N 3.1Å
171	I	91.3	Very high	91.1	Very high	42 Å²	42	55.7 Å²	55.7	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.4	173	-54.2	171.1	0	0	0	108.9	V173 P184 Y185 I396 V402 L473	I171-V173 PolarHBondContact O-N 3.19Å; I171-P184 HydrophobicContact CG2-CB 4.16Å; I171-Y185 CarbonylContact C-O 3.56Å; I171-Y185 WeakPolarHBondContact CA-O 3.4Å; I171-I396 HydrophobicContact CG1-CD1 4.04Å; I171-V402 HydrophobicContact CD1-CB 4.1Å; I171-V402 HydrophobicContact CD1-CG1 3.7Å; I171-V402 HydrophobicContact CG1-CG1 4.21Å; I171-L473 HydrophobicContact CD1-CD2 4.4Å
172	L	90.6	Very high	91.3	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.4	163.2	179.4	67.5	0	0	0	108.8	T174 Y185 L291 T344	L172-T174 PolarHBondContact O-N 3.11Å; L172-Y185 PolarHBondContact N-O 2.96Å; L172-L291 HydrophobicContact CD2-CD2 4.01Å; L172-T344 HydrophobicContact CD2-CG2 3.79Å
173	V	91.8	Very high	91.5	Very high	51 Å²	51	40.8 Å²	40.8	31%	0.309	22%	0.219	S	C	.	.			trans	-69.6	116.4	175.8	-177.7	0	0	0	0	109.3	I171 H216 L473	I171-V173 PolarHBondContact O-N 3.19Å; V173-H216 PolarHBondContact O-NE2 3.27Å; V173-L473 HydrophobicContact CG1-CB 4.32Å; V173-L473 HydrophobicContact CG2-CB 4.49Å; V173-L473 HydrophobicContact CG2-CD2 4.44Å
174	T	91.6	Very high	91.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.195	C	C	.	.			trans	-92.2	-20.9	-176.9	66.5	0	0	0	0	113.1	L172 I176 V179 D180 Y185 L208 N211	L172-T174 PolarHBondContact O-N 3.11Å; T174-I176 PolarHBondContact OG1-N 3.29Å; T174-V179 HydrophobicContact CG2-CG1 3.97Å; T174-D180 WeakPolarHBondContact CB-OD1 3.32Å; T174-D180 PolarHBondContact N-OD1 3.22Å; T174-D180 PolarHBondContact N-OD2 3.27Å; T174-D180 VanDerWaalsContact OG1-CG 3.23Å; T174-D180 PolarHBondContact OG1-OD1 3.19Å; T174-D180 PolarHBondContact OG1-OD2 3.48Å; T174-Y185 HydrophobicContact CG2-CD2 3.61Å; T174-Y185 HydrophobicContact CG2-CE2 4.14Å; T174-Y185 HydrophobicContact CG2-CG 4.25Å; T174-L208 HydrophobicContact CG2-CD2 3.78Å; T174-N211 VanDerWaalsContact O-CB 3.28Å; T174-N211 WeakPolarHBondContact O-CB 3.35Å; T174-N211 PolarHBondContact O-ND2 3.39Å; T174-N211 VanDerWaalsContact O-ND2 3.1Å
175	G	92.4	Very high	92	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	77.6	9.4	-173.7	0	0	0	0	0	113.5	D180 Q455 V471	G175-D180 WeakPolarHBondContact CA-OD2 3.21Å; G175-D180 PolarHBondContact N-OD2 2.98Å; G175-Q455 PolarHBondContact O-NE2 2.93Å; G175-V471 WeakPolarHBondContact CA-O 3.28Å; G175-V471 PolarHBondContact O-N 2.78Å
176	I	95.4	Very high	92.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.			trans	-108.6	114.2	180	-58.3	175.4	0	0	0	108.4	T174 V178 V179 D180 L204 E207 L208 P385 F457	T174-I176 PolarHBondContact OG1-N 3.29Å; I176-V178 HydrophobicContact CG2-CG1 4.04Å; I176-V178 PolarHBondContact O-N 2.95Å; I176-V179 HydrophobicContact CB-CB 4.2Å; I176-V179 HydrophobicContact CB-CG2 4.26Å; I176-V179 HydrophobicContact CG2-CB 4.26Å; I176-V179 HydrophobicContact CG2-CG2 3.91Å; I176-V179 PolarHBondContact O-N 3.05Å; I176-V179 VanDerWaalsContact O-N 3.13Å; I176-D180 PolarHBondContact N-OD2 3.48Å; I176-D180 WeakPolarHBondContact O-CB 3.36Å; I176-D180 PolarHBondContact O-N 3.49Å; I176-L204 HydrophobicContact CD1-CD1 3.56Å; I176-E207 HydrophobicContact CD1-CG 4.29Å; I176-L208 HydrophobicContact CD1-CD2 3.85Å; I176-L208 HydrophobicContact CD1-CG 4.17Å; I176-P385 HydrophobicContact CG2-CG 4.08Å; I176-F457 HydrophobicContact CD1-CE1 4.13Å; I176-F457 HydrophobicContact CD1-CZ 3.89Å; I176-F457 HydrophobicContact CG1-CE1 4.02Å; I176-F457 HydrophobicContact CG1-CZ 4.26Å; I176-F457 HydrophobicContact CG2-CE1 4.09Å; I176-F457 HydrophobicContact CG2-CZ 4.13Å
177	K	96.1	Very high	92.2	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-50.9	-51.4	-170.9	-74.3	-177	-70.5	-176.6	0	114.1	V179 L181 F452 S454 V471 T476 F480 V499 G500	K177-V179 PolarHBondContact O-N 3.36Å; K177-L181 WeakPolarHBondContact O-CB 3.44Å; K177-L181 PolarHBondContact O-N 3.1Å; K177-F452 HydrophobicContact CD-CE1 4.47Å; K177-F452 HydrophobicContact CD-CZ 4.29Å; K177-F452 VanDerWaalsContact CE-O 3.22Å; K177-F452 WeakPolarHBondContact CE-O 3.46Å; K177-F452 PolarHBondContact NZ-O 3.26Å; K177-S454 WeakPolarHBondContact CE-O 3.47Å; K177-S454 PolarHBondContact NZ-O 2.88Å; K177-V471 HydrophobicContact CD-CB 4.5Å; K177-V471 HydrophobicContact CD-CG1 4.26Å; K177-V471 HydrophobicContact CD-CG2 4.19Å; K177-V471 HydrophobicContact CG-CB 3.92Å; K177-V471 HydrophobicContact CG-CG1 3.92Å; K177-V471 HydrophobicContact CG-CG2 4.01Å; K177-T476 HydrophobicContact CB-CG2 4.06Å; K177-T476 HydrophobicContact CG-CG2 4.06Å; K177-F480 HydrophobicContact CB-CE2 4.37Å; K177-V499 PolarHBondContact NZ-O 3.31Å; K177-G500 PolarHBondContact NZ-O 2.87Å
178	V	96.1	Very high	92.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-36.9	-176.4	60.9	0	0	0	0	112.6	I176 L182 P385 V387 L453	I176-V178 HydrophobicContact CG2-CG1 4.04Å; I176-V178 PolarHBondContact O-N 2.95Å; V178-L182 HydrophobicContact CG2-CD1 4.23Å; V178-L182 WeakPolarHBondContact O-CB 3.36Å; V178-L182 PolarHBondContact O-N 3.32Å; V178-L182 VanDerWaalsContact O-N 3.08Å; V178-P385 HydrophobicContact CG1-CG 3.75Å; V178-V387 HydrophobicContact CB-CB 4.49Å; V178-V387 HydrophobicContact CG1-CB 3.86Å; V178-V387 HydrophobicContact CG1-CG1 4.36Å; V178-V387 HydrophobicContact CG1-CG2 3.76Å; V178-V387 HydrophobicContact CG2-CB 3.77Å; V178-V387 HydrophobicContact CG2-CG1 3.68Å; V178-L453 HydrophobicContact CB-CB 4.34Å; V178-L453 HydrophobicContact CB-CD2 3.8Å; V178-L453 HydrophobicContact CG2-CD2 3.91Å
179	V	95.6	Very high	92.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.6	-54.5	178.6	174.9	0	0	0	0	109.3	T174 I176 K177 L181 A183 P184 Y185	T174-V179 HydrophobicContact CG2-CG1 3.97Å; I176-V179 HydrophobicContact CB-CB 4.2Å; I176-V179 HydrophobicContact CB-CG2 4.26Å; I176-V179 HydrophobicContact CG2-CB 4.26Å; I176-V179 HydrophobicContact CG2-CG2 3.91Å; I176-V179 PolarHBondContact O-N 3.05Å; I176-V179 VanDerWaalsContact O-N 3.13Å; K177-V179 PolarHBondContact O-N 3.36Å; V179-L181 VanDerWaalsContact C-N 3.29Å; V179-L181 PolarHBondContact O-N 3.49Å; V179-A183 CarbonylContact O-C 3.44Å; V179-A183 PolarHBondContact O-N 3.5Å; V179-A183 VanDerWaalsContact O-O 3.12Å; V179-P184 WeakPolarHBondContact O-CA 3.24Å; V179-Y185 HydrophobicContact CG1-CD1 3.8Å; V179-Y185 HydrophobicContact CG1-CD2 3.98Å; V179-Y185 HydrophobicContact CG1-CE1 3.5Å; V179-Y185 VanDerWaalsContact CG1-CE1 3.5Å; V179-Y185 HydrophobicContact CG1-CE2 3.69Å; V179-Y185 HydrophobicContact CG1-CG 4.03Å; V179-Y185 VanDerWaalsContact CG1-CZ 3.43Å
180	D	95.6	Very high	93.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-34.9	-177.1	-74.8	-11.4	0	0	0	112.2	T174 G175 I176 H406 L473	T174-D180 WeakPolarHBondContact CB-OD1 3.32Å; T174-D180 PolarHBondContact N-OD1 3.22Å; T174-D180 PolarHBondContact N-OD2 3.27Å; T174-D180 VanDerWaalsContact OG1-CG 3.23Å; T174-D180 PolarHBondContact OG1-OD1 3.19Å; T174-D180 PolarHBondContact OG1-OD2 3.48Å; G175-D180 WeakPolarHBondContact CA-OD2 3.21Å; G175-D180 PolarHBondContact N-OD2 2.98Å; I176-D180 PolarHBondContact N-OD2 3.48Å; I176-D180 WeakPolarHBondContact O-CB 3.36Å; I176-D180 PolarHBondContact O-N 3.49Å; D180-H406 PolarHBondContact O-CE1 3.47Å; D180-H406 PolarHBondContact O-NE2 2.98Å; D180-L473 HydrophobicContact CB-CD1 4.01Å
181	L	96.5	Very high	93.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-78.9	-52.3	178.4	-175.3	71.5	0	0	0	113.3	K177 V179 M397 H406 V409 A410 V413 T476 F480	K177-L181 WeakPolarHBondContact O-CB 3.44Å; K177-L181 PolarHBondContact O-N 3.1Å; V179-L181 VanDerWaalsContact C-N 3.29Å; V179-L181 PolarHBondContact O-N 3.49Å; L181-M397 WeakPolarHBondContact O-CE 3.36Å; L181-H406 PolarHBondContact O-NE2 2.99Å; L181-V409 HydrophobicContact CD1-CG1 4.07Å; L181-A410 HydrophobicContact CD1-CB 4.4Å; L181-A410 HydrophobicContact CG-CB 4.42Å; L181-A410 WeakPolarHBondContact O-CB 3.15Å; L181-V413 HydrophobicContact CD2-CG1 4.49Å; L181-V413 HydrophobicContact CD2-CG2 4.16Å; L181-T476 HydrophobicContact CB-CG2 4.03Å; L181-F480 HydrophobicContact CD2-CB 4.09Å; L181-F480 HydrophobicContact CD2-CD1 3.9Å; L181-F480 HydrophobicContact CD2-CD2 3.49Å; L181-F480 VanDerWaalsContact CD2-CD2 3.49Å; L181-F480 HydrophobicContact CD2-CE1 4.19Å; L181-F480 HydrophobicContact CD2-CE2 3.82Å; L181-F480 HydrophobicContact CD2-CG 3.54Å; L181-F480 HydrophobicContact CD2-CZ 4.16Å
182	L	96.1	Very high	93.6	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-103.2	-33.1	-163.7	-60.2	-179.8	0	0	0	114	V178 P184 P389 M397 A410 V413 Q414 L453	V178-L182 HydrophobicContact CG2-CD1 4.23Å; V178-L182 WeakPolarHBondContact O-CB 3.36Å; V178-L182 PolarHBondContact O-N 3.32Å; V178-L182 VanDerWaalsContact O-N 3.08Å; L182-P184 VanDerWaalsContact C-CD 3.49Å; L182-P389 HydrophobicContact CD1-CB 3.25Å; L182-M397 VanDerWaalsContact O-CE 3.3Å; L182-M397 WeakPolarHBondContact O-CE 3.4Å; L182-A410 HydrophobicContact CD2-CB 4.23Å; L182-V413 HydrophobicContact CD1-CG1 4.44Å; L182-V413 HydrophobicContact CD2-CB 4.34Å; L182-V413 HydrophobicContact CD2-CG1 4Å; L182-Q414 HydrophobicContact CD2-CG 4.07Å; L182-L453 HydrophobicContact CD1-CD1 4.45Å; L182-L453 HydrophobicContact CD1-CD2 4.18Å
183	A	95.6	Very high	93.7	Very high	1 Å²	1	8 Å²	8	1%	0.008	5%	0.046	C	C	.	.	S	Bend	trans	-133.9	61.4	179.8	0	0	0	0	0	110.3	V179 Y185	V179-A183 CarbonylContact O-C 3.44Å; V179-A183 PolarHBondContact O-N 3.5Å; V179-A183 VanDerWaalsContact O-O 3.12Å; A183-Y185 WeakPolarHBondContact O-CD1 3.39Å; A183-Y185 WeakPolarHBondContact O-CE1 3.49Å
184	P	95.6	Very high	93.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	P	Polyproline II helix	trans	-61.7	140.1	-173.6	24	-32.9	0	0	0	110.4	I171 V179 L182 S394 I396 M397 V402	I171-P184 HydrophobicContact CG2-CB 4.16Å; V179-P184 WeakPolarHBondContact O-CA 3.24Å; L182-P184 VanDerWaalsContact C-CD 3.49Å; P184-S394 WeakPolarHBondContact O-CB 3.44Å; P184-S394 PolarHBondContact O-OG 2.96Å; P184-I396 HydrophobicContact CB-CD1 4.01Å; P184-I396 HydrophobicContact CB-CG1 4.46Å; P184-I396 HydrophobicContact CG-CD1 4.17Å; P184-I396 HydrophobicContact CG-CG1 4.12Å; P184-I396 WeakPolarHBondContact O-CD1 3.37Å; P184-I396 WeakPolarHBondContact O-CG1 3.16Å; P184-M397 HydrophobicContact CG-CE 3.68Å; P184-V402 HydrophobicContact CG-CG1 4.24Å
185	Y	94.5	Very high	92.9	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.008	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.2	-178.5	-66	-9.5	0	0	0	110.5	I171 L172 T174 V179 A183 I191 L208 A370 T372	I171-Y185 CarbonylContact C-O 3.56Å; I171-Y185 WeakPolarHBondContact CA-O 3.4Å; L172-Y185 PolarHBondContact N-O 2.96Å; T174-Y185 HydrophobicContact CG2-CD2 3.61Å; T174-Y185 HydrophobicContact CG2-CE2 4.14Å; T174-Y185 HydrophobicContact CG2-CG 4.25Å; V179-Y185 HydrophobicContact CG1-CD1 3.8Å; V179-Y185 HydrophobicContact CG1-CD2 3.98Å; V179-Y185 HydrophobicContact CG1-CE1 3.5Å; V179-Y185 VanDerWaalsContact CG1-CE1 3.5Å; V179-Y185 HydrophobicContact CG1-CE2 3.69Å; V179-Y185 HydrophobicContact CG1-CG 4.03Å; V179-Y185 VanDerWaalsContact CG1-CZ 3.43Å; A183-Y185 WeakPolarHBondContact O-CD1 3.39Å; A183-Y185 WeakPolarHBondContact O-CE1 3.49Å; Y185-I191 HydrophobicContact CD1-CG1 3.63Å; Y185-I191 HydrophobicContact CD1-CG2 4.12Å; Y185-I191 HydrophobicContact CD2-CD1 4.19Å; Y185-I191 HydrophobicContact CD2-CG1 3.87Å; Y185-I191 HydrophobicContact CE1-CB 4.37Å; Y185-I191 HydrophobicContact CE1-CG1 3.91Å; Y185-I191 HydrophobicContact CE1-CG2 3.49Å; Y185-I191 VanDerWaalsContact CE1-CG2 3.49Å; Y185-I191 HydrophobicContact CE2-CG1 4.13Å; Y185-I191 HydrophobicContact CE2-CG2 3.99Å; Y185-I191 HydrophobicContact CG-CD1 4.1Å; Y185-I191 HydrophobicContact CG-CG1 3.63Å; Y185-I191 VanDerWaalsContact CZ-CG2 3.42Å; Y185-L208 HydrophobicContact CE2-CD1 4.17Å; Y185-L208 HydrophobicContact CE2-CD2 4.19Å; Y185-A370 HydrophobicContact CD1-CB 3.99Å; Y185-A370 HydrophobicContact CE1-CB 4.3Å; Y185-T372 WeakPolarHBondContact CE1-OG1 3.3Å; Y185-T372 PolarHBondContact OH-OG1 3.45Å
186	A	91.8	Very high	91.9	Very high	11 Å²	11	8.6 Å²	8.6	9%	0.091	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.5	173.1	0	0	0	0	0	109.8	E170 G188 G189 I396	E170-A186 WeakPolarHBondContact O-CA 3.03Å; A186-G188 PolarHBondContact O-N 3.35Å; A186-G189 PolarHBondContact O-N 3.37Å; A186-I396 HydrophobicContact CB-CD1 4.14Å; A186-I396 HydrophobicContact CB-CG1 4.46Å; A186-I396 HydrophobicContact CB-CG2 3.78Å
187	K	89.1	Confident	90.9	Very high	62 Å²	62	12.7 Å²	12.7	27%	0.27	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	121.8	172.5	-172.9	179.1	-177.6	176.1	0	110.2	E170 G189 D289 T337	E170-K187 HydrophobicContact CB-CB 4.23Å; E170-K187 PolarHBondContact O-N 3.1Å; K187-G189 PolarHBondContact O-N 2.92Å; K187-D289 WeakPolarHBondContact CE-OD1 3.37Å; K187-D289 WeakPolarHBondContact CE-OD2 3.48Å; K187-D289 IonicContact NZ-OD1 3.45Å; K187-D289 PolarHBondContact NZ-OD1 2.65Å; K187-D289 IonicContact NZ-OD2 2.98Å; K187-D289 PolarHBondContact NZ-OD2 2.91Å; K187-T337 PolarHBondContact O-OG1 2.99Å
188	G	87.5	Confident	90	Very high	8 Å²	8	16 Å²	16	8%	0.082	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	16.5	-171.3	0	0	0	0	0	115.3	A186 T337 I343 T344	A186-G188 PolarHBondContact O-N 3.35Å; G188-T337 VanDerWaalsContact CA-OG1 3.27Å; G188-T337 WeakPolarHBondContact CA-OG1 3.49Å; G188-I343 CarbonylContact C-O 3.56Å; G188-I343 VanDerWaalsContact CA-O 3.27Å; G188-I343 WeakPolarHBondContact CA-O 3.13Å; G188-T344 WeakPolarHBondContact CA-OG1 3.44Å; G188-T344 PolarHBondContact N-OG1 2.88Å
189	G	91.2	Very high	89.5	Confident	4 Å²	4	16 Å²	16	4%	0.041	13%	0.127	C	C	.	.			trans	-79.7	172.1	171	0	0	0	0	0	112.8	A186 K187 S345 D369	A186-G189 PolarHBondContact O-N 3.37Å; K187-G189 PolarHBondContact O-N 2.92Å; G189-S345 PolarHBondContact O-N 2.79Å; G189-D369 WeakPolarHBondContact CA-OD2 3.4Å
190	K	94.6	Very high	89	Confident	15 Å²	15	17 Å²	17	7%	0.065	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.8	177.7	-62.6	152.2	-175.2	177.1	0	109.7	Q332 E333 I335 H367 L368 D369 A370	K190-Q332 WeakPolarHBondContact CE-O 3.47Å; K190-Q332 PolarHBondContact NZ-O 2.71Å; K190-E333 IonicContact NZ-OE1 2.66Å; K190-E333 PolarHBondContact NZ-OE1 3.36Å; K190-I335 WeakPolarHBondContact CE-O 3.46Å; K190-I335 HydrophobicContact CG-CB 4.48Å; K190-I335 HydrophobicContact CG-CG2 4Å; K190-H367 WeakPolarHBondContact CB-O 3.26Å; K190-H367 HydrophobicContact CD-CB 4.29Å; K190-H367 WeakPolarHBondContact CD-O 3.23Å; K190-L368 HydrophobicContact CB-CD2 4.18Å; K190-L368 CarbonylContact O-C 3.37Å; K190-D369 PolarHBondContact N-OD2 3.2Å; K190-D369 PolarHBondContact O-N 3.44Å; K190-A370 PolarHBondContact O-N 2.96Å
191	I	94.8	Very high	88.4	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.6	-177.6	-59.9	90.3	0	0	0	109.3	Y185 L193 T344 S345 V346 Q347 A370	Y185-I191 HydrophobicContact CD1-CG1 3.63Å; Y185-I191 HydrophobicContact CD1-CG2 4.12Å; Y185-I191 HydrophobicContact CD2-CD1 4.19Å; Y185-I191 HydrophobicContact CD2-CG1 3.87Å; Y185-I191 HydrophobicContact CE1-CB 4.37Å; Y185-I191 HydrophobicContact CE1-CG1 3.91Å; Y185-I191 HydrophobicContact CE1-CG2 3.49Å; Y185-I191 VanDerWaalsContact CE1-CG2 3.49Å; Y185-I191 HydrophobicContact CE2-CG1 4.13Å; Y185-I191 HydrophobicContact CE2-CG2 3.99Å; Y185-I191 HydrophobicContact CG-CD1 4.1Å; Y185-I191 HydrophobicContact CG-CG1 3.63Å; Y185-I191 VanDerWaalsContact CZ-CG2 3.42Å; I191-L193 HydrophobicContact CG2-CD2 4.38Å; I191-T344 HydrophobicContact CD1-CG2 3.45Å; I191-T344 VanDerWaalsContact CD1-CG2 3.45Å; I191-S345 VanDerWaalsContact CD1-O 3.25Å; I191-S345 WeakPolarHBondContact CD1-O 3.34Å; I191-S345 PolarHBondContact N-O 2.8Å; I191-V346 HydrophobicContact CB-CG2 4.39Å; I191-V346 HydrophobicContact CD1-CG2 4.33Å; I191-Q347 PolarHBondContact O-N 3.38Å; I191-A370 CarbonylContact C-O 3.58Å; I191-A370 WeakPolarHBondContact CA-O 3.4Å; I191-A370 HydrophobicContact CG1-CB 4.3Å
192	G	93.8	Very high	87.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.1	169.9	0	0	0	0	0	111.8	F194 Q347 A370 T372	G192-F194 WeakPolarHBondContact O-CD2 3.34Å; G192-F194 WeakPolarHBondContact O-CE2 3.41Å; G192-Q347 CarbonylContact C-O 3.6Å; G192-Q347 WeakPolarHBondContact CA-O 3.23Å; G192-A370 PolarHBondContact N-O 3.12Å; G192-T372 PolarHBondContact O-N 3.07Å
193	L	91.6	Very high	87.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110	168.7	-65.1	-175	0	0	0	109.8	I191 L204 I205 V346 Q347 A348 I349 T372	I191-L193 HydrophobicContact CG2-CD2 4.38Å; L193-L204 HydrophobicContact CD1-CD2 4.48Å; L193-L204 HydrophobicContact CD2-CD2 3.97Å; L193-I205 HydrophobicContact CD1-CD1 4.08Å; L193-I205 HydrophobicContact CD1-CG1 3.65Å; L193-V346 HydrophobicContact CD1-CG1 3.32Å; L193-V346 HydrophobicContact CD2-CG1 4.21Å; L193-V346 HydrophobicContact CG-CG1 3.52Å; L193-Q347 PolarHBondContact N-O 3.23Å; L193-A348 WeakPolarHBondContact O-CA 3.23Å; L193-I349 PolarHBondContact O-N 2.67Å; L193-T372 WeakPolarHBondContact CA-O 3.41Å; L193-T372 HydrophobicContact CD2-CG2 4.11Å
194	F	87.3	Confident	86.9	Confident	12 Å²	12	23.3 Å²	23.3	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.1	176.1	-59	-92.9	0	0	0	109.5	G192 I349 V351 F365 L368 T371 T372 V373 L374	G192-F194 WeakPolarHBondContact O-CD2 3.34Å; G192-F194 WeakPolarHBondContact O-CE2 3.41Å; F194-I349 HydrophobicContact CD1-CB 3.96Å; F194-I349 HydrophobicContact CD1-CG2 4.04Å; F194-I349 HydrophobicContact CE1-CB 3.63Å; F194-I349 HydrophobicContact CE1-CD1 3.73Å; F194-I349 HydrophobicContact CE1-CG1 4.28Å; F194-I349 HydrophobicContact CE1-CG2 3.51Å; F194-I349 HydrophobicContact CE2-CD1 3.99Å; F194-I349 HydrophobicContact CZ-CB 4.12Å; F194-I349 HydrophobicContact CZ-CD1 3.3Å; F194-I349 HydrophobicContact CZ-CG1 4.29Å; F194-I349 HydrophobicContact CZ-CG2 4.28Å; F194-V351 HydrophobicContact CD1-CG2 3.82Å; F194-V351 HydrophobicContact CE1-CG2 4.23Å; F194-F365 HydrophobicContact CD1-CZ 4.29Å; F194-F365 AromaticContact CE1-CE1 3.51Å; F194-F365 HydrophobicContact CE1-CE1 3.51Å; F194-F365 HydrophobicContact CE1-CE2 4.36Å; F194-F365 AromaticContact CE1-CZ 3.34Å; F194-F365 HydrophobicContact CE1-CZ 3.34Å; F194-F365 AromaticContact CE2-CE1 3.77Å; F194-F365 HydrophobicContact CE2-CE1 3.77Å; F194-F365 HydrophobicContact CE2-CZ 4.41Å; F194-F365 AromaticContact CZ-CD1 3.89Å; F194-F365 HydrophobicContact CZ-CD1 3.89Å; F194-F365 AromaticContact CZ-CE1 3.03Å; F194-F365 HydrophobicContact CZ-CE1 3.03Å; F194-F365 AromaticContact CZ-CZ 3.44Å; F194-F365 HydrophobicContact CZ-CZ 3.44Å; F194-F365 VanDerWaalsContact CZ-CZ 3.44Å; F194-L368 HydrophobicContact CE2-CD1 4.13Å; F194-L368 HydrophobicContact CZ-CD1 3.9Å; F194-T371 HydrophobicContact CE2-CG2 3.88Å; F194-T372 PolarHBondContact N-O 3.17Å; F194-V373 HydrophobicContact CB-CG1 4.39Å; F194-V373 HydrophobicContact CB-CG2 4.32Å; F194-V373 HydrophobicContact CD2-CG2 4.34Å; F194-L374 WeakPolarHBondContact O-CB 3.42Å; F194-L374 PolarHBondContact O-N 3.37Å
195	G	79.6	Confident	86.5	Confident	20 Å²	20	23.4 Å²	23.4	21%	0.206	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	146.7	174.7	0	0	0	0	0	113.5	K201	G195-K201 VanDerWaalsContact O-CE 3.29Å; G195-K201 WeakPolarHBondContact O-CE 3.25Å; G195-K201 PolarHBondContact O-NZ 2.81Å
196	G	72.4	Confident	86	Confident	38 Å²	38	23.7 Å²	23.7	39%	0.392	18%	0.176	S	C	.	.			trans	-68.9	-179.7	173.6	0	0	0	0	0	113.1	V199	G196-V199 WeakPolarHBondContact O-CG2 3.35Å
197	A	74	Confident	85.8	Confident	86 Å²	86	23.2 Å²	23.2	71%	0.711	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	141.4	170.3	0	0	0	0	0	110.7
198	G	76.9	Confident	85.8	Confident	69 Å²	69	20.5 Å²	20.5	71%	0.711	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	1.4	172.6	0	0	0	0	0	116.6	G200	G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.36Å
199	V	84.9	Confident	85.7	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.018	16%	0.156	C	C	.	.	S	Bend	trans	-86.4	4.6	179.8	-56	0	0	0	0	114.2	G196 K201 L374 R376	G196-V199 WeakPolarHBondContact O-CG2 3.35Å; V199-K201 HydrophobicContact CG2-CG 4.12Å; V199-L374 HydrophobicContact CB-CB 4.04Å; V199-L374 HydrophobicContact CG2-CB 3.45Å; V199-L374 VanDerWaalsContact CG2-CB 3.45Å; V199-L374 HydrophobicContact CG2-CD1 3.89Å; V199-L374 HydrophobicContact CG2-CG 4.34Å; V199-R376 HydrophobicContact CG1-CB 4.23Å
200	G	85.2	Confident	85.3	Confident	22 Å²	22	20.5 Å²	20.5	23%	0.227	16%	0.157	C	C	.	.	S	Bend	trans	89.3	21.8	176.8	0	0	0	0	0	116.5	G198 T202 V203 L204	G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.36Å; G200-T202 PolarHBondContact O-N 3.39Å; G200-V203 PolarHBondContact O-N 3.36Å; G200-L204 PolarHBondContact O-N 3.45Å
201	K	84.3	Confident	84.9	Confident	36 Å²	36	19.9 Å²	19.9	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-51.9	-53.4	177.5	-75.8	-173.5	-62.7	-176.6	0	113.4	G195 V199 V203 L204 I205 L374	G195-K201 VanDerWaalsContact O-CE 3.29Å; G195-K201 WeakPolarHBondContact O-CE 3.25Å; G195-K201 PolarHBondContact O-NZ 2.81Å; V199-K201 HydrophobicContact CG2-CG 4.12Å; K201-V203 VanDerWaalsContact C-N 3.32Å; K201-V203 PolarHBondContact O-N 2.94Å; K201-L204 PolarHBondContact O-N 3.48Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 2.94Å; K201-L374 HydrophobicContact CB-CD1 4.27Å; K201-L374 HydrophobicContact CG-CD1 3.52Å
202	T	79.5	Confident	84.1	Confident	55 Å²	55	20.2 Å²	20.2	34%	0.337	16%	0.157	S	C	.	.	H	α-helix	trans	-62.4	-40.8	-178.1	-47.9	0	0	0	0	111.5	G200 L204 I205 M206 L235	G200-T202 PolarHBondContact O-N 3.39Å; T202-L204 PolarHBondContact O-N 3.28Å; T202-I205 PolarHBondContact O-N 3.42Å; T202-M206 HydrophobicContact CG2-CE 4.36Å; T202-M206 WeakPolarHBondContact O-CG 3.4Å; T202-M206 PolarHBondContact O-N 3.35Å; T202-L235 HydrophobicContact CG2-CD1 3.77Å
203	V	85.4	Confident	83.1	Confident	44 Å²	44	21.3 Å²	21.3	27%	0.267	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-42	177.4	-170.1	0	0	0	0	111	G200 K201 M206 E207 F457 V459 A460	G200-V203 PolarHBondContact O-N 3.36Å; K201-V203 VanDerWaalsContact C-N 3.32Å; K201-V203 PolarHBondContact O-N 2.94Å; V203-M206 HydrophobicContact CG2-CE 4.44Å; V203-M206 PolarHBondContact O-N 3.4Å; V203-E207 WeakPolarHBondContact O-CB 3.25Å; V203-E207 PolarHBondContact O-N 3.28Å; V203-F457 HydrophobicContact CG1-CD2 4.07Å; V203-V459 HydrophobicContact CG1-CG2 3.94Å; V203-A460 HydrophobicContact CG1-CB 4.06Å
204	L	89.8	Confident	82.3	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-42.5	174.7	-178.7	63.7	0	0	0	112	I176 L193 G200 K201 T202 E207 L208 L374 P385 F457	I176-L204 HydrophobicContact CD1-CD1 3.56Å; L193-L204 HydrophobicContact CD1-CD2 4.48Å; L193-L204 HydrophobicContact CD2-CD2 3.97Å; G200-L204 PolarHBondContact O-N 3.45Å; K201-L204 PolarHBondContact O-N 3.48Å; T202-L204 PolarHBondContact O-N 3.28Å; L204-E207 PolarHBondContact O-N 3.43Å; L204-L208 HydrophobicContact CG-CD1 4.31Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 2.94Å; L204-L374 HydrophobicContact CD2-CD1 4.34Å; L204-L374 HydrophobicContact CD2-CD2 4.13Å; L204-P385 HydrophobicContact CD1-CB 4.3Å; L204-F457 HydrophobicContact CB-CE2 4.49Å; L204-F457 HydrophobicContact CD1-CE2 3.9Å; L204-F457 HydrophobicContact CD1-CZ 3.77Å
205	I	87.3	Confident	81.6	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-48.3	176	-73.6	168.2	0	0	0	110.9	L193 K201 T202 E207 L208 I209 F222 F293	L193-I205 HydrophobicContact CD1-CD1 4.08Å; L193-I205 HydrophobicContact CD1-CG1 3.65Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 2.94Å; T202-I205 PolarHBondContact O-N 3.42Å; I205-E207 VanDerWaalsContact C-N 3.32Å; I205-E207 PolarHBondContact O-N 3.43Å; I205-L208 PolarHBondContact O-N 2.89Å; I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.37Å; I205-F222 HydrophobicContact CG2-CD2 4.35Å; I205-F222 HydrophobicContact CG2-CE2 4.1Å; I205-F293 HydrophobicContact CB-CD1 4.16Å; I205-F293 HydrophobicContact CB-CE1 4.23Å; I205-F293 HydrophobicContact CG1-CD1 4.01Å; I205-F293 HydrophobicContact CG1-CE1 4.28Å; I205-F293 HydrophobicContact CG2-CB 4.49Å; I205-F293 HydrophobicContact CG2-CD1 3.39Å; I205-F293 HydrophobicContact CG2-CE1 3.69Å; I205-F293 HydrophobicContact CG2-CG 3.94Å; I205-F293 HydrophobicContact CG2-CZ 4.46Å
206	M	84.1	Confident	81.1	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-40.2	178.4	-71.7	-170.2	-67	0	0	112.2	T202 V203 I209 N210 L235 E238 V459	T202-M206 HydrophobicContact CG2-CE 4.36Å; T202-M206 WeakPolarHBondContact O-CG 3.4Å; T202-M206 PolarHBondContact O-N 3.35Å; V203-M206 HydrophobicContact CG2-CE 4.44Å; V203-M206 PolarHBondContact O-N 3.4Å; M206-I209 PolarHBondContact O-N 3.46Å; M206-N210 WeakPolarHBondContact O-CB 3.27Å; M206-N210 PolarHBondContact O-N 3.13Å; M206-L235 HydrophobicContact CG-CD1 3.59Å; M206-L235 HydrophobicContact SD-CD1 3.69Å; M206-E238 WeakPolarHBondContact CE-OE2 3.43Å; M206-E238 HydrophobicContact SD-CB 3.84Å; M206-V459 HydrophobicContact CB-CB 4.24Å; M206-V459 HydrophobicContact CB-CG1 4.09Å; M206-V459 HydrophobicContact CB-CG2 4.01Å
207	E	88.9	Confident	81	Confident	1 Å²	1	33 Å²	33	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-40.6	176.5	-172.3	71.1	173.8	0	0	111.5	I176 V203 L204 I205 I209 N210 N211 F457 Q458 V459	I176-E207 HydrophobicContact CD1-CG 4.29Å; V203-E207 WeakPolarHBondContact O-CB 3.25Å; V203-E207 PolarHBondContact O-N 3.28Å; L204-E207 PolarHBondContact O-N 3.43Å; I205-E207 VanDerWaalsContact C-N 3.32Å; I205-E207 PolarHBondContact O-N 3.43Å; E207-I209 PolarHBondContact O-N 3.03Å; E207-N210 PolarHBondContact O-N 3.19Å; E207-N211 WeakPolarHBondContact O-CB 3.25Å; E207-N211 VanDerWaalsContact O-CG 3.25Å; E207-N211 PolarHBondContact O-N 3.36Å; E207-N211 PolarHBondContact O-OD1 2.91Å; E207-N211 PolarHBondContact OE1-OD1 2.88Å; E207-F457 HydrophobicContact CB-CB 4.35Å; E207-F457 HydrophobicContact CB-CD1 4.41Å; E207-F457 HydrophobicContact CB-CD2 3.73Å; E207-F457 HydrophobicContact CB-CE2 4.01Å; E207-F457 HydrophobicContact CB-CG 3.94Å; E207-F457 HydrophobicContact CB-CZ 4.44Å; E207-F457 HydrophobicContact CG-CB 3.99Å; E207-F457 HydrophobicContact CG-CD1 3.65Å; E207-F457 HydrophobicContact CG-CD2 3.89Å; E207-F457 HydrophobicContact CG-CE1 3.98Å; E207-F457 HydrophobicContact CG-CE2 4.21Å; E207-F457 HydrophobicContact CG-CG 3.58Å; E207-F457 HydrophobicContact CG-CZ 4.24Å; E207-Q458 PolarHBondContact OE1-N 3.14Å; E207-Q458 VanDerWaalsContact OE1-N 3.15Å; E207-Q458 PolarHBondContact OE2-N 3.38Å; E207-V459 HydrophobicContact CB-CG2 4.01Å; E207-V459 WeakPolarHBondContact OE2-CG2 3.45Å; E207-V459 PolarHBondContact OE2-N 3.48Å; E207-V459 VanDerWaalsContact OE2-N 3.13Å
208	L	89.2	Confident	81.2	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.3	-74.1	169.4	0	0	0	111.7	T174 I176 Y185 L204 I205 V212 F293 V346	T174-L208 HydrophobicContact CG2-CD2 3.78Å; I176-L208 HydrophobicContact CD1-CD2 3.85Å; I176-L208 HydrophobicContact CD1-CG 4.17Å; Y185-L208 HydrophobicContact CE2-CD1 4.17Å; Y185-L208 HydrophobicContact CE2-CD2 4.19Å; L204-L208 HydrophobicContact CG-CD1 4.31Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 2.94Å; I205-L208 PolarHBondContact O-N 2.89Å; L208-V212 WeakPolarHBondContact O-CB 3.38Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.22Å; L208-F293 HydrophobicContact CB-CE1 4.21Å; L208-F293 HydrophobicContact CB-CZ 4.08Å; L208-F293 HydrophobicContact CD1-CE1 4.47Å; L208-V346 HydrophobicContact CD1-CG1 4.23Å; L208-V346 HydrophobicContact CD1-CG2 4.33Å
209	I	84.4	Confident	81.8	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-50.4	174.2	-67.8	167.1	0	0	0	110.1	I205 M206 E207 A213 M239 V244 F293	I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.37Å; M206-I209 PolarHBondContact O-N 3.46Å; E207-I209 PolarHBondContact O-N 3.03Å; I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 3.18Å; I209-M239 HydrophobicContact CD1-CE 3.54Å; I209-V244 HydrophobicContact CG2-CG1 3.75Å; I209-F293 HydrophobicContact CB-CE2 4.45Å; I209-F293 HydrophobicContact CD1-CD2 3.97Å; I209-F293 HydrophobicContact CD1-CE2 3.82Å; I209-F293 HydrophobicContact CD1-CZ 4.2Å; I209-F293 HydrophobicContact CG1-CD2 3.84Å; I209-F293 HydrophobicContact CG1-CE1 4.25Å; I209-F293 HydrophobicContact CG1-CE2 3.16Å; I209-F293 HydrophobicContact CG1-CZ 3.4Å
210	N	84.3	Confident	82.1	Confident	11 Å²	11	27.6 Å²	27.6	6%	0.059	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-47.4	-177.9	175.4	66.6	0	0	0	112.3	M206 E207 K214 Q458 V459	M206-N210 WeakPolarHBondContact O-CB 3.27Å; M206-N210 PolarHBondContact O-N 3.13Å; E207-N210 PolarHBondContact O-N 3.19Å; N210-K214 WeakPolarHBondContact O-CB 3.27Å; N210-K214 WeakPolarHBondContact O-CG 3.43Å; N210-K214 PolarHBondContact O-N 3.1Å; N210-K214 VanDerWaalsContact OD1-CE 3.3Å; N210-K214 WeakPolarHBondContact OD1-CE 3.19Å; N210-K214 PolarHBondContact OD1-NZ 2.9Å; N210-Q458 PolarHBondContact ND2-OE1 2.95Å; N210-Q458 VanDerWaalsContact ND2-OE1 3.13Å; N210-V459 HydrophobicContact CB-CG1 4Å
211	N	85.2	Confident	82.6	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-43.2	-175.5	-70.9	-2.3	0	0	0	111.6	T174 E207 K214 A215 L470	T174-N211 VanDerWaalsContact O-CB 3.28Å; T174-N211 WeakPolarHBondContact O-CB 3.35Å; T174-N211 PolarHBondContact O-ND2 3.39Å; T174-N211 VanDerWaalsContact O-ND2 3.1Å; E207-N211 WeakPolarHBondContact O-CB 3.25Å; E207-N211 VanDerWaalsContact O-CG 3.25Å; E207-N211 PolarHBondContact O-N 3.36Å; E207-N211 PolarHBondContact O-OD1 2.91Å; E207-N211 PolarHBondContact OE1-OD1 2.88Å; N211-K214 PolarHBondContact O-N 3.48Å; N211-A215 WeakPolarHBondContact O-CB 3.13Å; N211-A215 PolarHBondContact O-N 3.12Å; N211-L470 HydrophobicContact CB-CD1 4.05Å
212	V	78	Confident	83.1	Confident	8 Å²	8	25.2 Å²	25.2	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-72.2	-37.4	178.9	174.8	0	0	0	0	111.6	L208 K214 A215 H216 G217 L291	L208-V212 WeakPolarHBondContact O-CB 3.38Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.22Å; V212-K214 VanDerWaalsContact C-N 3.29Å; V212-K214 PolarHBondContact O-N 2.98Å; V212-A215 PolarHBondContact O-N 3.41Å; V212-H216 HydrophobicContact CG1-CB 4.15Å; V212-H216 WeakPolarHBondContact O-CA 3.36Å; V212-H216 WeakPolarHBondContact O-CB 3.2Å; V212-H216 PolarHBondContact O-N 3.15Å; V212-G217 PolarHBondContact O-N 2.82Å; V212-L291 HydrophobicContact CB-CD1 3.52Å; V212-L291 HydrophobicContact CB-CG 4.28Å; V212-L291 HydrophobicContact CG1-CD1 3.67Å; V212-L291 HydrophobicContact CG1-CD2 4.29Å; V212-L291 HydrophobicContact CG1-CG 3.85Å; V212-L291 HydrophobicContact CG2-CD1 3.74Å
213	A	72.7	Confident	83.9	Confident	22 Å²	22	22.6 Å²	22.6	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-37.8	173.6	0	0	0	0	0	112.1	I209 G217 K253	I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 3.18Å; A213-G217 WeakPolarHBondContact O-CA 3.26Å; A213-G217 PolarHBondContact O-N 2.66Å; A213-K253 HydrophobicContact CB-CB 4.49Å
214	K	74.8	Confident	84.3	Confident	118 Å²	118	20.5 Å²	20.5	51%	0.513	12%	0.121	S	C	.	.	H	α-helix	trans	-75.5	-40.5	177.6	-78.3	171.4	170.9	156.1	0	113.6	N210 N211 V212	N210-K214 WeakPolarHBondContact O-CB 3.27Å; N210-K214 WeakPolarHBondContact O-CG 3.43Å; N210-K214 PolarHBondContact O-N 3.1Å; N210-K214 VanDerWaalsContact OD1-CE 3.3Å; N210-K214 WeakPolarHBondContact OD1-CE 3.19Å; N210-K214 PolarHBondContact OD1-NZ 2.9Å; N211-K214 PolarHBondContact O-N 3.48Å; V212-K214 VanDerWaalsContact C-N 3.29Å; V212-K214 PolarHBondContact O-N 2.98Å
215	A	72.3	Confident	84.5	Confident	64 Å²	64	20.5 Å²	20.5	53%	0.529	12%	0.121	S	C	.	.	H	α-helix	trans	-85.9	-39.1	-174.2	0	0	0	0	0	113.5	N211 V212	N211-A215 WeakPolarHBondContact O-CB 3.13Å; N211-A215 PolarHBondContact O-N 3.12Å; V212-A215 PolarHBondContact O-N 3.41Å
216	H	68.9	Low	84.6	Confident	92 Å²	92	20.4 Å²	20.4	43%	0.426	12%	0.121	S	C	.	.	H	α-helix	trans	-114.1	-9.4	-171.5	-60.7	-80.2	0	0	0	113.6	V173 V212 G218	V173-H216 PolarHBondContact O-NE2 3.27Å; V212-H216 HydrophobicContact CG1-CB 4.15Å; V212-H216 WeakPolarHBondContact O-CA 3.36Å; V212-H216 WeakPolarHBondContact O-CB 3.2Å; V212-H216 PolarHBondContact O-N 3.15Å; H216-G218 PolarHBondContact O-N 3.13Å; H216-G218 VanDerWaalsContact O-N 3.17Å
217	G	69.9	Low	84.7	Confident	41 Å²	41	21.4 Å²	21.4	42%	0.423	13%	0.125	S	C	.	.			trans	68.6	9.2	177	0	0	0	0	0	115.2	V212 A213	V212-G217 PolarHBondContact O-N 2.82Å; A213-G217 WeakPolarHBondContact O-CA 3.26Å; A213-G217 PolarHBondContact O-N 2.66Å
218	G	79.8	Confident	84.7	Confident	5 Å²	5	27.3 Å²	27.3	5%	0.052	15%	0.147	C	C	.	.			trans	-76.6	160.8	-177.2	0	0	0	0	0	114.2	H216 D289	H216-G218 PolarHBondContact O-N 3.13Å; H216-G218 VanDerWaalsContact O-N 3.17Å; G218-D289 WeakPolarHBondContact CA-O 2.94Å
219	Y	89.2	Confident	84.7	Confident	39 Å²	39	30.4 Å²	30.4	15%	0.153	17%	0.167	C	C	.	.			trans	-85.8	151.7	172.1	-64.3	-52.5	0	0	0	111.6	L130 K253 F282 V290 L291	L130-Y219 HydrophobicContact CD1-CD1 3.62Å; L130-Y219 HydrophobicContact CD1-CE1 3.25Å; L130-Y219 HydrophobicContact CD1-CE2 4.26Å; L130-Y219 HydrophobicContact CD1-CG 4.27Å; L130-Y219 HydrophobicContact CD2-CD1 3.75Å; L130-Y219 HydrophobicContact CD2-CE1 4.29Å; L130-Y219 HydrophobicContact CD2-CG 4.05Å; L130-Y219 HydrophobicContact CG-CD1 4.36Å; L130-Y219 HydrophobicContact CG-CE1 4.42Å; Y219-K253 HydrophobicContact CD1-CD 4.15Å; Y219-K253 HydrophobicContact CE1-CD 4.02Å; Y219-F282 AromaticContact CD2-CD1 3.53Å; Y219-F282 HydrophobicContact CD2-CD1 3.53Å; Y219-F282 AromaticContact CD2-CE1 3.72Å; Y219-F282 HydrophobicContact CD2-CE1 3.72Å; Y219-F282 HydrophobicContact CD2-CG 4.01Å; Y219-F282 HydrophobicContact CD2-CZ 4.32Å; Y219-F282 HydrophobicContact CE2-CD1 4.03Å; Y219-F282 HydrophobicContact CE2-CE1 4.02Å; Y219-F282 HydrophobicContact CG-CD1 4.44Å; Y219-F282 HydrophobicContact CG-CE1 4.44Å; Y219-V290 WeakPolarHBondContact O-CA 3.49Å; Y219-L291 PolarHBondContact O-N 3.43Å
220	S	91.9	Very high	84.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.1	172.7	-62.1	0	0	0	0	110.7	K253 V254 A255 L291	S220-K253 PolarHBondContact N-O 2.96Å; S220-V254 CarbonylContact O-C 3.49Å; S220-V254 VanDerWaalsContact O-CA 3.22Å; S220-V254 WeakPolarHBondContact O-CA 3.48Å; S220-A255 PolarHBondContact O-N 2.83Å; S220-L291 CarbonylContact C-O 2.91Å; S220-L291 VanDerWaalsContact CA-O 3.31Å; S220-L291 WeakPolarHBondContact CA-O 3.4Å
221	V	94.9	Very high	84.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.3	169	-176.6	0	0	0	0	107.9	A255 V257 G275 V278 A279 F282 V290 L291 L292 F293	V221-A255 WeakPolarHBondContact CA-O 3.41Å; V221-V257 HydrophobicContact CG1-CG2 4.31Å; V221-G275 WeakPolarHBondContact CG1-O 3.41Å; V221-V278 HydrophobicContact CG1-CB 4.25Å; V221-V278 HydrophobicContact CG1-CG1 4.3Å; V221-V278 HydrophobicContact CG2-CB 4.35Å; V221-V278 HydrophobicContact CG2-CG1 3.83Å; V221-A279 HydrophobicContact CB-CB 4.37Å; V221-A279 HydrophobicContact CG2-CB 4.03Å; V221-F282 HydrophobicContact CG2-CD2 4.25Å; V221-F282 HydrophobicContact CG2-CE2 4.3Å; V221-V290 HydrophobicContact CG2-CG1 4.27Å; V221-L291 PolarHBondContact N-O 3.38Å; V221-L292 HydrophobicContact CB-CD1 4.02Å; V221-L292 HydrophobicContact CG1-CD1 4.1Å; V221-L292 CarbonylContact O-C 3.51Å; V221-L292 WeakPolarHBondContact O-CA 3.28Å; V221-F293 PolarHBondContact O-N 2.74Å
222	F	94.7	Very high	84.9	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.9	176.1	-172	-81.7	0	0	0	109.7	I205 L235 V254 A255 L256 V257 Y258 F293 D295	I205-F222 HydrophobicContact CG2-CD2 4.35Å; I205-F222 HydrophobicContact CG2-CE2 4.1Å; F222-L235 HydrophobicContact CD1-CD2 4.1Å; F222-L235 HydrophobicContact CD2-CD2 3.94Å; F222-L235 HydrophobicContact CE1-CD2 3.74Å; F222-L235 HydrophobicContact CE2-CD2 3.56Å; F222-L235 HydrophobicContact CG-CD2 4.2Å; F222-L235 HydrophobicContact CZ-CD2 3.46Å; F222-L235 VanDerWaalsContact CZ-CD2 3.46Å; F222-V254 HydrophobicContact CB-CG2 4.42Å; F222-A255 PolarHBondContact N-O 2.78Å; F222-L256 HydrophobicContact CB-CD2 3.61Å; F222-L256 HydrophobicContact CD1-CD2 4.46Å; F222-L256 HydrophobicContact CG-CD2 4.25Å; F222-V257 PolarHBondContact O-N 2.97Å; F222-Y258 HydrophobicContact CD1-CD1 4.5Å; F222-Y258 AromaticContact CD1-CE1 3.69Å; F222-Y258 HydrophobicContact CD1-CE1 3.69Å; F222-Y258 AromaticContact CE1-CE1 3.74Å; F222-Y258 HydrophobicContact CE1-CE1 3.74Å; F222-F293 HydrophobicContact CB-CB 4.47Å; F222-F293 HydrophobicContact CD2-CB 3.54Å; F222-F293 HydrophobicContact CD2-CG 4.28Å; F222-F293 HydrophobicContact CE2-CB 4.09Å; F222-F293 HydrophobicContact CG-CB 4.27Å; F222-D295 HydrophobicContact CE1-CB 4.46Å; F222-D295 HydrophobicContact CE2-CB 4.32Å; F222-D295 HydrophobicContact CZ-CB 3.74Å
223	A	95.5	Very high	85.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	101.8	174.2	0	0	0	0	0	109.7	V225 V257 F293 D295	A223-V225 HydrophobicContact CB-CG2 4.47Å; A223-V225 PolarHBondContact O-N 2.94Å; A223-V257 CarbonylContact C-O 3.55Å; A223-V257 WeakPolarHBondContact CA-O 3.44Å; A223-F293 PolarHBondContact N-O 3.32Å; A223-D295 PolarHBondContact O-N 2.83Å
224	G	94.1	Very high	86.1	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	91.5	173.1	0	0	0	0	0	111	V257 G259 D295	G224-V257 PolarHBondContact N-O 2.8Å; G224-G259 CarbonylContact O-C 3.56Å; G224-G259 PolarHBondContact O-N 2.93Å; G224-D295 CarbonylContact C-O 3.59Å; G224-D295 VanDerWaalsContact CA-O 3.23Å; G224-D295 WeakPolarHBondContact CA-O 3.33Å
225	V	94	Very high	86.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	106.4	-179.9	-168.8	0	0	0	0	110.1	A223 E227 R268 V271 A272 I294 D295 N296 R299 F300	A223-V225 HydrophobicContact CB-CG2 4.47Å; A223-V225 PolarHBondContact O-N 2.94Å; V225-E227 PolarHBondContact O-N 3.49Å; V225-R268 WeakPolarHBondContact CG1-O 3.21Å; V225-V271 HydrophobicContact CB-CG1 4.07Å; V225-V271 HydrophobicContact CG1-CG1 3.84Å; V225-V271 HydrophobicContact CG2-CG1 3.94Å; V225-A272 HydrophobicContact CG2-CB 3.89Å; V225-I294 HydrophobicContact CG2-CG2 3.79Å; V225-D295 PolarHBondContact N-O 3.25Å; V225-N296 PolarHBondContact O-N 3.36Å; V225-N296 VanDerWaalsContact O-N 3.08Å; V225-R299 HydrophobicContact CG1-CB 4.13Å; V225-R299 WeakPolarHBondContact O-CB 3.48Å; V225-R299 WeakPolarHBondContact O-CG 3.19Å; V225-F300 HydrophobicContact CG1-CB 4.03Å
226	G	89.8	Confident	87.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	60.2	32.4	174.8	0	0	0	0	0	113.8	G259 M261	G226-G259 WeakPolarHBondContact CA-O 3.13Å; G226-G259 PolarHBondContact N-O 3.27Å; G226-M261 VanDerWaalsContact C-CG 3.49Å; G226-M261 WeakPolarHBondContact O-CG 3.48Å
227	E	85.3	Confident	88.4	Confident	30 Å²	30	37.5 Å²	37.5	14%	0.14	19%	0.185	C	C	.	.			trans	-89.6	164.6	175.1	-70.8	-56.8	121	0	0	112	V225 M261 D295 N296	V225-E227 PolarHBondContact O-N 3.49Å; E227-M261 WeakPolarHBondContact O-CG 3.46Å; E227-M261 PolarHBondContact O-N 2.97Å; E227-M261 VanDerWaalsContact O-N 3.09Å; E227-D295 HydrophobicContact CG-CB 4.25Å; E227-D295 WeakPolarHBondContact CG-O 3.37Å; E227-N296 WeakPolarHBondContact OE1-CB 3.39Å; E227-N296 PolarHBondContact OE1-N 3.35Å
228	R	89	Confident	89	Confident	124 Å²	124	38.1 Å²	38.1	47%	0.468	18%	0.178	S	C	.	.			trans	-70.2	136.9	178.7	-61.2	-177.3	-178.4	75.9	5.2	110	R230 E231 G232 M261	R228-R230 PolarHBondContact O-N 2.89Å; R228-E231 HydrophobicContact CB-CB 4.34Å; R228-E231 HydrophobicContact CB-CG 4.19Å; R228-E231 WeakPolarHBondContact CB-OE2 3.31Å; R228-E231 WeakPolarHBondContact CG-OE2 3.47Å; R228-E231 IonicContact NH1-OE1 2.83Å; R228-E231 PolarHBondContact NH1-OE1 3.39Å; R228-E231 IonicContact NH1-OE2 3.19Å; R228-E231 PolarHBondContact NH1-OE2 3Å; R228-E231 PolarHBondContact O-N 3.45Å; R228-G232 PolarHBondContact O-N 3.35Å; R228-G232 VanDerWaalsContact O-N 3.13Å; R228-M261 HydrophobicContact CG-SD 3.88Å
229	T	89.2	Confident	89.2	Confident	70 Å²	70	38 Å²	38	43%	0.429	18%	0.176	S	C	.	.	H	α-helix	trans	-53.4	-39.5	175.4	-49.1	0	0	0	0	113.1	E231 G232 N233 Q260	T229-E231 PolarHBondContact O-N 3.21Å; T229-G232 PolarHBondContact O-N 3.36Å; T229-N233 WeakPolarHBondContact O-CB 3.46Å; T229-N233 PolarHBondContact O-N 3.43Å; T229-Q260 PolarHBondContact OG1-OE1 2.92Å
230	R	88.6	Confident	89.1	Confident	142 Å²	142	38.3 Å²	38.3	54%	0.536	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-45	175.9	-173.3	-167.5	59.2	73.2	2.5	111.8	R228 N233 D234	R228-R230 PolarHBondContact O-N 2.89Å; R230-N233 PolarHBondContact O-N 3.04Å; R230-D234 IonicContact CZ-OD2 3.99Å; R230-D234 IonicContact NH1-OD2 2.92Å; R230-D234 PolarHBondContact NH1-OD2 3.04Å; R230-D234 WeakPolarHBondContact O-CB 3.26Å; R230-D234 PolarHBondContact O-N 2.84Å
231	E	83.4	Confident	88.7	Confident	59 Å²	59	45.6 Å²	45.6	28%	0.276	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-38.6	-177.8	-71.3	162.6	175.7	0	0	111.2	R228 T229 L235	R228-E231 HydrophobicContact CB-CB 4.34Å; R228-E231 HydrophobicContact CB-CG 4.19Å; R228-E231 WeakPolarHBondContact CB-OE2 3.31Å; R228-E231 WeakPolarHBondContact CG-OE2 3.47Å; R228-E231 IonicContact NH1-OE1 2.83Å; R228-E231 PolarHBondContact NH1-OE1 3.39Å; R228-E231 IonicContact NH1-OE2 3.19Å; R228-E231 PolarHBondContact NH1-OE2 3Å; R228-E231 PolarHBondContact O-N 3.45Å; T229-E231 PolarHBondContact O-N 3.21Å; E231-L235 VanDerWaalsContact O-CB 3.28Å; E231-L235 WeakPolarHBondContact O-CB 3.28Å; E231-L235 PolarHBondContact O-N 3.48Å
232	G	86.6	Confident	87.8	Confident	7 Å²	7	48 Å²	48	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-39.9	171.9	0	0	0	0	0	113.3	R228 T229 Y236 Y258	R228-G232 PolarHBondContact O-N 3.35Å; R228-G232 VanDerWaalsContact O-N 3.13Å; T229-G232 PolarHBondContact O-N 3.36Å; G232-Y236 WeakPolarHBondContact O-CB 3.49Å; G232-Y236 PolarHBondContact O-N 2.95Å; G232-Y258 PolarHBondContact O-OH 2.83Å; G232-Y258 VanDerWaalsContact O-OH 3.12Å
233	N	90.3	Very high	87	Confident	80 Å²	80	50.1 Å²	50.1	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-47.8	175.8	-179.1	83.8	0	0	0	112	T229 R230 L235 Y236 H237	T229-N233 WeakPolarHBondContact O-CB 3.46Å; T229-N233 PolarHBondContact O-N 3.43Å; R230-N233 PolarHBondContact O-N 3.04Å; N233-L235 VanDerWaalsContact C-N 3.33Å; N233-L235 PolarHBondContact O-N 2.71Å; N233-Y236 PolarHBondContact O-N 2.67Å; N233-H237 PolarHBondContact ND2-CD2 3.34Å; N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 3.24Å; N233-H237 VanDerWaalsContact O-N 3.07Å
234	D	86.1	Confident	86.4	Confident	59 Å²	59	50.8 Å²	50.8	32%	0.316	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-45.8	178.8	-64.2	-13.5	0	0	0	110	R230 Y236 H237 E238	R230-D234 IonicContact CZ-OD2 3.99Å; R230-D234 IonicContact NH1-OD2 2.92Å; R230-D234 PolarHBondContact NH1-OD2 3.04Å; R230-D234 WeakPolarHBondContact O-CB 3.26Å; R230-D234 PolarHBondContact O-N 2.84Å; D234-Y236 VanDerWaalsContact C-N 3.35Å; D234-Y236 PolarHBondContact O-N 2.89Å; D234-H237 PolarHBondContact O-N 3.1Å; D234-E238 WeakPolarHBondContact O-CB 3.35Å; D234-E238 WeakPolarHBondContact O-CG 3.26Å; D234-E238 PolarHBondContact O-N 2.66Å
235	L	85.1	Confident	86.1	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-42.6	175.8	-175.4	64.2	0	0	0	112.5	T202 M206 F222 E231 N233 E238 M239	T202-L235 HydrophobicContact CG2-CD1 3.77Å; M206-L235 HydrophobicContact CG-CD1 3.59Å; M206-L235 HydrophobicContact SD-CD1 3.69Å; F222-L235 HydrophobicContact CD1-CD2 4.1Å; F222-L235 HydrophobicContact CD2-CD2 3.94Å; F222-L235 HydrophobicContact CE1-CD2 3.74Å; F222-L235 HydrophobicContact CE2-CD2 3.56Å; F222-L235 HydrophobicContact CG-CD2 4.2Å; F222-L235 HydrophobicContact CZ-CD2 3.46Å; F222-L235 VanDerWaalsContact CZ-CD2 3.46Å; E231-L235 VanDerWaalsContact O-CB 3.28Å; E231-L235 WeakPolarHBondContact O-CB 3.28Å; E231-L235 PolarHBondContact O-N 3.48Å; N233-L235 VanDerWaalsContact C-N 3.33Å; N233-L235 PolarHBondContact O-N 2.71Å; L235-E238 PolarHBondContact O-N 3.48Å; L235-M239 HydrophobicContact CD1-CE 3.77Å; L235-M239 HydrophobicContact CD1-CG 4.46Å; L235-M239 HydrophobicContact CD2-CE 4.01Å; L235-M239 HydrophobicContact CG-CE 3.78Å; L235-M239 HydrophobicContact CG-SD 4.32Å; L235-M239 WeakPolarHBondContact O-CB 3.35Å; L235-M239 VanDerWaalsContact O-CG 3.24Å; L235-M239 WeakPolarHBondContact O-CG 3.42Å; L235-M239 PolarHBondContact O-N 2.82Å
236	Y	89.9	Confident	85.8	Confident	26 Å²	26	52.8 Å²	52.8	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.9	177.4	-121.9	0	0	0	111.9	I133 G232 N233 D234 M239 I240 I245 L256	I133-Y236 HydrophobicContact CD1-CD1 3.96Å; I133-Y236 HydrophobicContact CD1-CD2 3.79Å; I133-Y236 HydrophobicContact CD1-CE1 4.07Å; I133-Y236 HydrophobicContact CD1-CE2 3.91Å; I133-Y236 HydrophobicContact CD1-CG 3.79Å; I133-Y236 HydrophobicContact CG1-CD2 4.13Å; I133-Y236 HydrophobicContact CG1-CE2 4.04Å; G232-Y236 WeakPolarHBondContact O-CB 3.49Å; G232-Y236 PolarHBondContact O-N 2.95Å; N233-Y236 PolarHBondContact O-N 2.67Å; D234-Y236 VanDerWaalsContact C-N 3.35Å; D234-Y236 PolarHBondContact O-N 2.89Å; Y236-M239 PolarHBondContact O-N 2.84Å; Y236-I240 HydrophobicContact CD1-CD1 3.93Å; Y236-I240 HydrophobicContact CD2-CD1 4.25Å; Y236-I240 HydrophobicContact CE1-CD1 3.63Å; Y236-I240 HydrophobicContact CE2-CD1 3.98Å; Y236-I240 HydrophobicContact CE2-CG1 4.42Å; Y236-I240 HydrophobicContact CG-CD1 4.25Å; Y236-I240 WeakPolarHBondContact O-CD1 3.48Å; Y236-I240 VanDerWaalsContact O-CG1 3.31Å; Y236-I240 WeakPolarHBondContact O-CG1 3.44Å; Y236-I240 PolarHBondContact O-N 2.87Å; Y236-I240 VanDerWaalsContact O-N 3.08Å; Y236-I245 HydrophobicContact CD2-CD1 3.68Å; Y236-I245 HydrophobicContact CE2-CD1 3.87Å; Y236-I245 HydrophobicContact CE2-CG2 4.32Å; Y236-L256 HydrophobicContact CD2-CD1 3.55Å; Y236-L256 HydrophobicContact CE2-CD1 4.32Å; Y236-L256 HydrophobicContact CG-CD1 4.35Å
237	H	88.9	Confident	85.6	Confident	89 Å²	89	56.3 Å²	56.3	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-68.6	-41.5	177.3	-74.9	-66.1	0	0	0	112.5	N233 D234 M239 I240 E241	N233-H237 PolarHBondContact ND2-CD2 3.34Å; N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 3.24Å; N233-H237 VanDerWaalsContact O-N 3.07Å; D234-H237 PolarHBondContact O-N 3.1Å; H237-M239 VanDerWaalsContact C-N 3.29Å; H237-M239 PolarHBondContact O-N 2.92Å; H237-I240 WeakPolarHBondContact O-CB 3.22Å; H237-I240 PolarHBondContact O-N 2.96Å; H237-I240 VanDerWaalsContact O-N 3.09Å; H237-E241 WeakPolarHBondContact O-CG 3.41Å; H237-E241 PolarHBondContact O-N 3.4Å
238	E	81.8	Confident	85.5	Confident	55 Å²	55	64 Å²	64	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-38.3	174.4	-73.9	177.5	167.6	0	0	111.6	M206 D234 L235 I240 E241 S242	M206-E238 WeakPolarHBondContact CE-OE2 3.43Å; M206-E238 HydrophobicContact SD-CB 3.84Å; D234-E238 WeakPolarHBondContact O-CB 3.35Å; D234-E238 WeakPolarHBondContact O-CG 3.26Å; D234-E238 PolarHBondContact O-N 2.66Å; L235-E238 PolarHBondContact O-N 3.48Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 PolarHBondContact O-N 2.97Å; E238-E241 PolarHBondContact O-N 2.57Å; E238-S242 VanDerWaalsContact O-CB 3.28Å; E238-S242 WeakPolarHBondContact O-CB 3.22Å; E238-S242 PolarHBondContact O-N 2.8Å; E238-S242 PolarHBondContact O-OG 2.91Å
239	M	85.1	Confident	85.1	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-31.6	174.4	-75.7	-176.7	178.2	0	0	113.1	I209 L235 Y236 H237 S242 G243 V244 I245 V254 L256	I209-M239 HydrophobicContact CD1-CE 3.54Å; L235-M239 HydrophobicContact CD1-CE 3.77Å; L235-M239 HydrophobicContact CD1-CG 4.46Å; L235-M239 HydrophobicContact CD2-CE 4.01Å; L235-M239 HydrophobicContact CG-CE 3.78Å; L235-M239 HydrophobicContact CG-SD 4.32Å; L235-M239 WeakPolarHBondContact O-CB 3.35Å; L235-M239 VanDerWaalsContact O-CG 3.24Å; L235-M239 WeakPolarHBondContact O-CG 3.42Å; L235-M239 PolarHBondContact O-N 2.82Å; Y236-M239 PolarHBondContact O-N 2.84Å; H237-M239 VanDerWaalsContact C-N 3.29Å; H237-M239 PolarHBondContact O-N 2.92Å; M239-S242 WeakPolarHBondContact CA-OG 3.31Å; M239-S242 PolarHBondContact O-OG 3.42Å; M239-G243 PolarHBondContact O-N 3.03Å; M239-V244 HydrophobicContact CB-CB 4.31Å; M239-V244 HydrophobicContact CG-CB 4.47Å; M239-V244 PolarHBondContact O-N 3.3Å; M239-I245 HydrophobicContact CB-CB 4.39Å; M239-I245 HydrophobicContact CB-CD1 3.71Å; M239-I245 HydrophobicContact CB-CG1 3.92Å; M239-I245 PolarHBondContact O-N 2.79Å; M239-I245 HydrophobicContact SD-CD1 3.98Å; M239-V254 HydrophobicContact CE-CG2 4.46Å; M239-V254 HydrophobicContact SD-CG1 3.8Å; M239-V254 HydrophobicContact SD-CG2 4.38Å; M239-L256 HydrophobicContact CE-CD2 4.38Å; M239-L256 HydrophobicContact SD-CD2 3.91Å
240	I	87.3	Confident	84.6	Confident	46 Å²	46	67.6 Å²	67.6	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-70.3	-46.5	173.2	-68.4	160	0	0	0	110.4	Y236 H237 E238 G243 I245 L247	Y236-I240 HydrophobicContact CD1-CD1 3.93Å; Y236-I240 HydrophobicContact CD2-CD1 4.25Å; Y236-I240 HydrophobicContact CE1-CD1 3.63Å; Y236-I240 HydrophobicContact CE2-CD1 3.98Å; Y236-I240 HydrophobicContact CE2-CG1 4.42Å; Y236-I240 HydrophobicContact CG-CD1 4.25Å; Y236-I240 WeakPolarHBondContact O-CD1 3.48Å; Y236-I240 VanDerWaalsContact O-CG1 3.31Å; Y236-I240 WeakPolarHBondContact O-CG1 3.44Å; Y236-I240 PolarHBondContact O-N 2.87Å; Y236-I240 VanDerWaalsContact O-N 3.08Å; H237-I240 WeakPolarHBondContact O-CB 3.22Å; H237-I240 PolarHBondContact O-N 2.96Å; H237-I240 VanDerWaalsContact O-N 3.09Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 PolarHBondContact O-N 2.97Å; I240-G243 PolarHBondContact O-N 3.31Å; I240-I245 WeakPolarHBondContact CA-O 3.42Å; I240-I245 HydrophobicContact CG1-CB 4.1Å; I240-I245 HydrophobicContact CG1-CG2 3.98Å; I240-L247 HydrophobicContact CD1-CD1 3.99Å; I240-L247 HydrophobicContact CD1-CD2 4.1Å; I240-L247 HydrophobicContact CD1-CG 4.29Å; I240-L247 HydrophobicContact CG1-CD1 4.37Å; I240-L247 HydrophobicContact CG1-CD2 4.16Å; I240-L247 HydrophobicContact CG1-CG 4.22Å; I240-L247 HydrophobicContact CG2-CD1 4.19Å; I240-L247 HydrophobicContact CG2-CG 4.32Å
241	E	83.4	Confident	84.4	Confident	154 Å²	154	64.5 Å²	64.5	72%	0.72	34%	0.343	S	S	*	.	H	α-helix	trans	-66.6	-39.6	-178.4	-71.4	179.7	-176.3	0	0	112.5	H237 E238 G243	H237-E241 WeakPolarHBondContact O-CG 3.41Å; H237-E241 PolarHBondContact O-N 3.4Å; E238-E241 PolarHBondContact O-N 2.57Å; E241-G243 PolarHBondContact O-N 3.06Å
242	S	75.4	Confident	84.6	Confident	50 Å²	50	62 Å²	62	35%	0.35	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.2	175.4	58.9	0	0	0	0	113.8	E238 M239 V244	E238-S242 VanDerWaalsContact O-CB 3.28Å; E238-S242 WeakPolarHBondContact O-CB 3.22Å; E238-S242 PolarHBondContact O-N 2.8Å; E238-S242 PolarHBondContact O-OG 2.91Å; M239-S242 WeakPolarHBondContact CA-OG 3.31Å; M239-S242 PolarHBondContact O-OG 3.42Å; S242-V244 VanDerWaalsContact C-N 3.32Å
243	G	78.6	Confident	84.5	Confident	52 Å²	52	65.2 Å²	65.2	54%	0.536	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	11.1	179	0	0	0	0	0	115	M239 I240 E241	M239-G243 PolarHBondContact O-N 3.03Å; I240-G243 PolarHBondContact O-N 3.31Å; E241-G243 PolarHBondContact O-N 3.06Å
244	V	82.1	Confident	84.5	Confident	15 Å²	15	61.4 Å²	61.4	9%	0.091	32%	0.323	C	S	.	.	S	Bend	trans	-68.8	-38	172.6	177.2	0	0	0	0	110.6	I209 M239 S242 K253 V254	I209-V244 HydrophobicContact CG2-CG1 3.75Å; M239-V244 HydrophobicContact CB-CB 4.31Å; M239-V244 HydrophobicContact CG-CB 4.47Å; M239-V244 PolarHBondContact O-N 3.3Å; S242-V244 VanDerWaalsContact C-N 3.32Å; V244-K253 PolarHBondContact O-N 2.87Å; V244-K253 VanDerWaalsContact O-N 3.15Å; V244-V254 HydrophobicContact CG1-CB 4.16Å; V244-V254 HydrophobicContact CG1-CG1 3.75Å
245	I	88.1	Confident	84.9	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.309	C	S	.	.	S	Bend	trans	-107.8	119.6	169.9	-64.9	174.6	0	0	0	108.1	Y236 M239 I240 L247 V254 L256	Y236-I245 HydrophobicContact CD2-CD1 3.68Å; Y236-I245 HydrophobicContact CE2-CD1 3.87Å; Y236-I245 HydrophobicContact CE2-CG2 4.32Å; M239-I245 HydrophobicContact CB-CB 4.39Å; M239-I245 HydrophobicContact CB-CD1 3.71Å; M239-I245 HydrophobicContact CB-CG1 3.92Å; M239-I245 PolarHBondContact O-N 2.79Å; M239-I245 HydrophobicContact SD-CD1 3.98Å; I240-I245 WeakPolarHBondContact CA-O 3.42Å; I240-I245 HydrophobicContact CG1-CB 4.1Å; I240-I245 HydrophobicContact CG1-CG2 3.98Å; I245-L247 HydrophobicContact CG2-CD2 3.96Å; I245-V254 HydrophobicContact CD1-CG1 3.68Å; I245-V254 HydrophobicContact CG1-CG1 3.32Å; I245-L256 HydrophobicContact CD1-CD1 3.77Å; I245-L256 HydrophobicContact CD1-CG 4.32Å
246	N	87.3	Confident	85.4	Confident	41 Å²	41	58.4 Å²	58.4	22%	0.219	31%	0.307	C	S	.	.			trans	-103.1	122.8	171	-169.7	-12.3	0	0	0	109.1	K248 D249 T251 S252	N246-K248 PolarHBondContact OD1-N 2.97Å; N246-D249 PolarHBondContact ND2-OD2 3.4Å; N246-D249 PolarHBondContact OD1-N 2.82Å; N246-T251 VanDerWaalsContact CB-OG1 3.31Å; N246-T251 WeakPolarHBondContact CB-OG1 3.35Å; N246-T251 PolarHBondContact ND2-OG1 3.47Å; N246-T251 VanDerWaalsContact ND2-OG1 3.13Å; N246-S252 PolarHBondContact N-OG 3.03Å; N246-S252 PolarHBondContact O-OG 3.08Å; N246-S252 VanDerWaalsContact O-OG 3.05Å
247	L	86.9	Confident	85.7	Confident	76 Å²	76	57.2 Å²	57.2	40%	0.398	30%	0.303	S	S	.	.	S	Bend	trans	-81.9	-17.7	179.1	-57.7	-177.9	0	0	0	113	R144 I240 I245	R144-L247 PolarHBondContact NH2-O 3.32Å; I240-L247 HydrophobicContact CD1-CD1 3.99Å; I240-L247 HydrophobicContact CD1-CD2 4.1Å; I240-L247 HydrophobicContact CD1-CG 4.29Å; I240-L247 HydrophobicContact CG1-CD1 4.37Å; I240-L247 HydrophobicContact CG1-CD2 4.16Å; I240-L247 HydrophobicContact CG1-CG 4.22Å; I240-L247 HydrophobicContact CG2-CD1 4.19Å; I240-L247 HydrophobicContact CG2-CG 4.32Å; I245-L247 HydrophobicContact CG2-CD2 3.96Å
248	K	82.2	Confident	86.1	Confident	192 Å²	192	53.4 Å²	53.4	84%	0.835	29%	0.285	S	S	*	.	S	Bend	trans	-97	-32.8	-173.3	-63.1	179.3	-178.1	173.8	0	112.9	N246	N246-K248 PolarHBondContact OD1-N 2.97Å
249	D	80.6	Confident	86.6	Confident	94 Å²	94	50.8 Å²	50.8	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	-129	160.8	-175	-45.6	-51.9	0	0	0	111.5	N246 T251	N246-D249 PolarHBondContact ND2-OD2 3.4Å; N246-D249 PolarHBondContact OD1-N 2.82Å; D249-T251 HydrophobicContact CB-CG2 4.1Å; D249-T251 PolarHBondContact O-N 3.19Å
250	D	79	Confident	86.9	Confident	174 Å²	174	51.8 Å²	51.8	93%	0.93	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	26	179.5	-59.1	-31.7	0	0	0	113.3	S252	D250-S252 VanDerWaalsContact C-N 3.32Å
251	T	83.9	Confident	87.1	Confident	77 Å²	77	53.5 Å²	53.5	47%	0.472	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.5	-177.3	63.1	0	0	0	0	113.4	N246 D249	N246-T251 VanDerWaalsContact CB-OG1 3.31Å; N246-T251 WeakPolarHBondContact CB-OG1 3.35Å; N246-T251 PolarHBondContact ND2-OG1 3.47Å; N246-T251 VanDerWaalsContact ND2-OG1 3.13Å; D249-T251 HydrophobicContact CB-CG2 4.1Å; D249-T251 PolarHBondContact O-N 3.19Å
252	S	88.4	Confident	87.5	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.042	28%	0.281	C	S	.	.			trans	-56.7	139.2	179.1	-67.2	0	0	0	0	111.3	N246 D250	N246-S252 PolarHBondContact N-OG 3.03Å; N246-S252 PolarHBondContact O-OG 3.08Å; N246-S252 VanDerWaalsContact O-OG 3.05Å; D250-S252 VanDerWaalsContact C-N 3.32Å
253	K	84.5	Confident	88.4	Confident	76 Å²	76	51.2 Å²	51.2	33%	0.33	27%	0.273	S	S	.	.			trans	-113.4	-2.3	-175.3	-61.7	-59.8	-174	173.9	0	114.5	A213 Y219 S220 V244	A213-K253 HydrophobicContact CB-CB 4.49Å; Y219-K253 HydrophobicContact CD1-CD 4.15Å; Y219-K253 HydrophobicContact CE1-CD 4.02Å; S220-K253 PolarHBondContact N-O 2.96Å; V244-K253 PolarHBondContact O-N 2.87Å; V244-K253 VanDerWaalsContact O-N 3.15Å
254	V	90.7	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136	-176	66.5	0	0	0	0	111.5	G131 S220 F222 M239 V244 I245 L256	G131-V254 PolarHBondContact N-O 3.26Å; S220-V254 CarbonylContact O-C 3.49Å; S220-V254 VanDerWaalsContact O-CA 3.22Å; S220-V254 WeakPolarHBondContact O-CA 3.48Å; F222-V254 HydrophobicContact CB-CG2 4.42Å; M239-V254 HydrophobicContact CE-CG2 4.46Å; M239-V254 HydrophobicContact SD-CG1 3.8Å; M239-V254 HydrophobicContact SD-CG2 4.38Å; V244-V254 HydrophobicContact CG1-CB 4.16Å; V244-V254 HydrophobicContact CG1-CG1 3.75Å; I245-V254 HydrophobicContact CD1-CG1 3.68Å; I245-V254 HydrophobicContact CG1-CG1 3.32Å; V254-L256 HydrophobicContact CG2-CD2 3.91Å
255	A	94	Very high	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.1	165.6	0	0	0	0	0	109.6	T129 S220 V221 F222 V278	T129-A255 WeakPolarHBondContact O-CB 3.32Å; S220-A255 PolarHBondContact O-N 2.83Å; V221-A255 WeakPolarHBondContact CA-O 3.41Å; F222-A255 PolarHBondContact N-O 2.78Å; A255-V278 HydrophobicContact CB-CG1 4.08Å
256	L	95.1	Very high	90.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.4	-178.5	-58.1	179.6	0	0	0	110.1	R132 I133 M134 F222 Y236 M239 I245 V254	R132-L256 PolarHBondContact O-N 3.23Å; I133-L256 CarbonylContact C-O 3.52Å; I133-L256 WeakPolarHBondContact CA-O 3.25Å; I133-L256 HydrophobicContact CB-CB 4.42Å; I133-L256 HydrophobicContact CD1-CD1 4.45Å; I133-L256 HydrophobicContact CG1-CB 4.16Å; I133-L256 HydrophobicContact CG1-CD1 3.95Å; I133-L256 HydrophobicContact CG2-CB 4.29Å; M134-L256 WeakPolarHBondContact CG-O 3.22Å; M134-L256 PolarHBondContact N-O 3.32Å; F222-L256 HydrophobicContact CB-CD2 3.61Å; F222-L256 HydrophobicContact CD1-CD2 4.46Å; F222-L256 HydrophobicContact CG-CD2 4.25Å; Y236-L256 HydrophobicContact CD2-CD1 3.55Å; Y236-L256 HydrophobicContact CE2-CD1 4.32Å; Y236-L256 HydrophobicContact CG-CD1 4.35Å; M239-L256 HydrophobicContact CE-CD2 4.38Å; M239-L256 HydrophobicContact SD-CD2 3.91Å; I245-L256 HydrophobicContact CD1-CD1 3.77Å; I245-L256 HydrophobicContact CD1-CG 4.32Å; V254-L256 HydrophobicContact CG2-CD2 3.91Å
257	V	96.8	Very high	90.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.4	175.8	-172.2	0	0	0	0	108.3	M134 V221 F222 A223 G224 V271 T274 V278	M134-V257 HydrophobicContact CG-CB 4.2Å; M134-V257 HydrophobicContact CG-CG1 4.18Å; M134-V257 HydrophobicContact CG-CG2 3.71Å; M134-V257 CarbonylContact O-C 3.51Å; M134-V257 WeakPolarHBondContact O-CA 3.45Å; M134-V257 HydrophobicContact SD-CG2 3.86Å; V221-V257 HydrophobicContact CG1-CG2 4.31Å; F222-V257 PolarHBondContact O-N 2.97Å; A223-V257 CarbonylContact C-O 3.55Å; A223-V257 WeakPolarHBondContact CA-O 3.44Å; G224-V257 PolarHBondContact N-O 2.8Å; V257-V271 HydrophobicContact CG1-CG2 3.66Å; V257-T274 HydrophobicContact CG1-CG2 3.45Å; V257-T274 VanDerWaalsContact CG1-CG2 3.45Å; V257-V278 HydrophobicContact CG2-CG2 4.48Å
258	Y	95.9	Very high	90.8	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.1	-176.5	-71.1	-28.2	0	0	0	112.5	I133 M134 N135 F222 G232	I133-Y258 HydrophobicContact CD1-CE2 4.42Å; I133-Y258 HydrophobicContact CG2-CD2 3.39Å; I133-Y258 HydrophobicContact CG2-CE2 3.88Å; I133-Y258 HydrophobicContact CG2-CG 4.15Å; M134-Y258 PolarHBondContact O-N 3Å; N135-Y258 WeakPolarHBondContact CA-O 3.49Å; F222-Y258 HydrophobicContact CD1-CD1 4.5Å; F222-Y258 AromaticContact CD1-CE1 3.69Å; F222-Y258 HydrophobicContact CD1-CE1 3.69Å; F222-Y258 AromaticContact CE1-CE1 3.74Å; F222-Y258 HydrophobicContact CE1-CE1 3.74Å; G232-Y258 PolarHBondContact O-OH 2.83Å; G232-Y258 VanDerWaalsContact O-OH 3.12Å
259	G	93.7	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	83.6	174.5	0	0	0	0	0	106.8	G224 G226 E263	G224-G259 CarbonylContact O-C 3.56Å; G224-G259 PolarHBondContact O-N 2.93Å; G226-G259 WeakPolarHBondContact CA-O 3.13Å; G226-G259 PolarHBondContact N-O 3.27Å; G259-E263 WeakPolarHBondContact CA-OE1 3.37Å; G259-E263 WeakPolarHBondContact CA-OE2 3.46Å
260	Q	91.3	Very high	92.1	Very high	23 Å²	23	33.8 Å²	33.8	11%	0.107	18%	0.175	C	C	.	.			trans	-81.6	173.6	-160	-69.3	-179.7	-11	0	0	113.3	T229 N262 E263	T229-Q260 PolarHBondContact OG1-OE1 2.92Å; Q260-N262 WeakPolarHBondContact CB-OD1 3.37Å; Q260-N262 PolarHBondContact O-N 3.33Å; Q260-E263 PolarHBondContact N-OE1 2.84Å; Q260-E263 WeakPolarHBondContact O-CB 3.4Å; Q260-E263 PolarHBondContact O-N 2.99Å
261	M	91.2	Very high	93	Very high	83 Å²	83	25.5 Å²	25.5	41%	0.409	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.4	-179.9	-69.3	-173.9	95.4	0	0	114.7	G226 E227 R228 E263	G226-M261 VanDerWaalsContact C-CG 3.49Å; G226-M261 WeakPolarHBondContact O-CG 3.48Å; E227-M261 WeakPolarHBondContact O-CG 3.46Å; E227-M261 PolarHBondContact O-N 2.97Å; E227-M261 VanDerWaalsContact O-N 3.09Å; R228-M261 HydrophobicContact CG-SD 3.88Å; M261-E263 VanDerWaalsContact C-N 3.27Å
262	N	91.8	Very high	93.5	Very high	118 Å²	118	21.9 Å²	21.9	63%	0.631	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.4	177.7	62.5	-51.5	0	0	0	113	Q260	Q260-N262 WeakPolarHBondContact CB-OD1 3.37Å; Q260-N262 PolarHBondContact O-N 3.33Å
263	E	93.6	Very high	93.9	Very high	37 Å²	37	22.3 Å²	22.3	17%	0.173	11%	0.11	C	C	.	.	S	Bend	trans	-80.8	150.9	178.7	-69.2	178.1	-134.8	0	0	111.7	G259 Q260 M261 A267 R268	G259-E263 WeakPolarHBondContact CA-OE1 3.37Å; G259-E263 WeakPolarHBondContact CA-OE2 3.46Å; Q260-E263 PolarHBondContact N-OE1 2.84Å; Q260-E263 WeakPolarHBondContact O-CB 3.4Å; Q260-E263 PolarHBondContact O-N 2.99Å; M261-E263 VanDerWaalsContact C-N 3.27Å; E263-A267 HydrophobicContact CB-CB 3.96Å; E263-A267 VanDerWaalsContact OE2-CB 3.29Å; E263-A267 WeakPolarHBondContact OE2-CB 3.48Å; E263-R268 PolarHBondContact O-NE 3.08Å
264	P	94.4	Very high	94.5	Very high	25 Å²	25	18.7 Å²	18.7	16%	0.162	9%	0.094	C	C	.	.			trans	-61.1	158.5	179.8	26.9	-35.9	0	0	0	111.7	G266 A267 R268	P264-G266 PolarHBondContact O-N 2.95Å; P264-G266 VanDerWaalsContact O-N 3.08Å; P264-A267 HydrophobicContact CG-CB 4.39Å; P264-A267 PolarHBondContact O-N 3.5Å; P264-A267 VanDerWaalsContact O-N 3.08Å; P264-R268 PolarHBondContact O-N 3.39Å
265	P	95	Very high	94.8	Very high	15 Å²	15	18.7 Å²	18.7	10%	0.097	9%	0.094	C	C	.	.	H	α-helix	trans	-59.3	-24.8	-179.3	24	-34.3	0	0	0	113.4	A58 A269 A303 E306 V307	A58-P265 HydrophobicContact CB-CG 4.23Å; P265-A269 WeakPolarHBondContact O-CB 3.37Å; P265-A269 PolarHBondContact O-N 2.93Å; P265-A303 HydrophobicContact CB-CB 4.45Å; P265-E306 HydrophobicContact CB-CB 3.81Å; P265-E306 WeakPolarHBondContact CB-OE2 3.4Å; P265-E306 HydrophobicContact CG-CB 4.27Å; P265-V307 HydrophobicContact CB-CG2 4.06Å
266	G	94.8	Very high	94.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-48.4	173.2	0	0	0	0	0	113.4	I100 P264 A269 R270	I100-G266 VanDerWaalsContact CG2-CA 3.43Å; P264-G266 PolarHBondContact O-N 2.95Å; P264-G266 VanDerWaalsContact O-N 3.08Å; G266-A269 PolarHBondContact O-N 3.36Å; G266-R270 WeakPolarHBondContact O-CG 3.31Å; G266-R270 PolarHBondContact O-N 3.45Å
267	A	95.3	Very high	95	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-48.4	177.7	0	0	0	0	0	111.8	M102 V136 E263 P264 A269 R270 V271	M102-A267 WeakPolarHBondContact O-CB 3.42Å; V136-A267 HydrophobicContact CB-CB 4.31Å; V136-A267 HydrophobicContact CG1-CB 3.75Å; E263-A267 HydrophobicContact CB-CB 3.96Å; E263-A267 VanDerWaalsContact OE2-CB 3.29Å; E263-A267 WeakPolarHBondContact OE2-CB 3.48Å; P264-A267 HydrophobicContact CG-CB 4.39Å; P264-A267 PolarHBondContact O-N 3.5Å; P264-A267 VanDerWaalsContact O-N 3.08Å; A267-A269 VanDerWaalsContact C-N 3.26Å; A267-A269 PolarHBondContact O-N 2.93Å; A267-R270 PolarHBondContact O-N 3.5Å; A267-V271 PolarHBondContact O-N 3.14Å
268	R	95.1	Very high	95	Very high	20 Å²	20	18.8 Å²	18.8	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-34.1	178	-68.8	-173.1	-74.4	123.3	-4.4	112.7	V225 E263 P264 R270 A303 E306	V225-R268 WeakPolarHBondContact CG1-O 3.21Å; E263-R268 PolarHBondContact O-NE 3.08Å; P264-R268 PolarHBondContact O-N 3.39Å; R268-R270 PolarHBondContact O-N 3.11Å; R268-A303 HydrophobicContact CB-CB 3.59Å; R268-E306 IonicContact CZ-OE1 3.31Å; R268-E306 IonicContact CZ-OE2 3.71Å; R268-E306 IonicContact NH1-OE1 3.66Å; R268-E306 PolarHBondContact NH1-OE1 3.35Å; R268-E306 VanDerWaalsContact NH2-CD 3.27Å; R268-E306 IonicContact NH2-OE1 3.12Å; R268-E306 PolarHBondContact NH2-OE1 3.39Å; R268-E306 IonicContact NH2-OE2 2.68Å; R268-E306 PolarHBondContact NH2-OE2 3.45Å
269	A	94.5	Very high	95	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-76.9	-5.2	177.2	0	0	0	0	0	114	P265 G266 A267 F300 A303 V307	P265-A269 WeakPolarHBondContact O-CB 3.37Å; P265-A269 PolarHBondContact O-N 2.93Å; G266-A269 PolarHBondContact O-N 3.36Å; A267-A269 VanDerWaalsContact C-N 3.26Å; A267-A269 PolarHBondContact O-N 2.93Å; A269-F300 VanDerWaalsContact O-CE2 3.25Å; A269-F300 WeakPolarHBondContact O-CE2 3.49Å; A269-A303 HydrophobicContact CB-CB 3.94Å; A269-V307 HydrophobicContact CB-CG2 4.41Å
270	R	95.9	Very high	95.1	Very high	42 Å²	42	18.6 Å²	18.6	16%	0.158	9%	0.094	C	C	.	.	H	α-helix	trans	-123.2	-23.8	-178.2	-66.9	-62.8	177.1	-87.7	-1.6	114	E87 M102 V136 I155 G266 A267 R268 A272 L273 T274	E87-R270 VanDerWaalsContact CD-NE 3.25Å; E87-R270 IonicContact OE1-CZ 3.03Å; E87-R270 IonicContact OE1-NE 2.95Å; E87-R270 PolarHBondContact OE1-NE 3.17Å; E87-R270 IonicContact OE1-NH2 2.77Å; E87-R270 PolarHBondContact OE1-NH2 2.66Å; E87-R270 WeakPolarHBondContact OE2-CD 3.43Å; E87-R270 IonicContact OE2-CZ 3.86Å; E87-R270 IonicContact OE2-NE 3.48Å; E87-R270 PolarHBondContact OE2-NE 3.05Å; M102-R270 HydrophobicContact CE-CG 4.34Å; M102-R270 HydrophobicContact SD-CB 4.38Å; M102-R270 HydrophobicContact SD-CG 4.14Å; V136-R270 HydrophobicContact CG2-CB 3.59Å; I155-R270 HydrophobicContact CD1-CB 4.09Å; I155-R270 HydrophobicContact CD1-CG 4.42Å; G266-R270 WeakPolarHBondContact O-CG 3.31Å; G266-R270 PolarHBondContact O-N 3.45Å; A267-R270 PolarHBondContact O-N 3.5Å; R268-R270 PolarHBondContact O-N 3.11Å; R270-A272 VanDerWaalsContact C-N 3.25Å; R270-A272 PolarHBondContact O-N 2.94Å; R270-L273 WeakPolarHBondContact O-CA 3.4Å; R270-L273 VanDerWaalsContact O-CB 3.26Å; R270-L273 WeakPolarHBondContact O-CB 3.32Å; R270-L273 PolarHBondContact O-N 3.02Å; R270-T274 PolarHBondContact O-N 3.13Å; R270-T274 VanDerWaalsContact O-N 3.14Å
271	V	96.4	Very high	95.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-33.4	-176.6	69.4	0	0	0	0	113.7	V136 V225 V257 A267 L273 T274 G275	V136-V271 HydrophobicContact CB-CB 4.31Å; V136-V271 HydrophobicContact CG2-CB 4.29Å; V225-V271 HydrophobicContact CB-CG1 4.07Å; V225-V271 HydrophobicContact CG1-CG1 3.84Å; V225-V271 HydrophobicContact CG2-CG1 3.94Å; V257-V271 HydrophobicContact CG1-CG2 3.66Å; A267-V271 PolarHBondContact O-N 3.14Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 3.44Å; V271-T274 WeakPolarHBondContact O-CB 3.33Å; V271-T274 PolarHBondContact O-N 2.92Å; V271-T274 VanDerWaalsContact O-N 3.17Å; V271-G275 PolarHBondContact O-N 3.1Å
272	A	96	Very high	95.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.1	-38.5	172.9	0	0	0	0	0	111.9	V225 R270 G275 L276 F300	V225-A272 HydrophobicContact CG2-CB 3.89Å; R270-A272 VanDerWaalsContact C-N 3.25Å; R270-A272 PolarHBondContact O-N 2.94Å; A272-G275 PolarHBondContact O-N 3.04Å; A272-L276 VanDerWaalsContact O-CB 3.31Å; A272-L276 WeakPolarHBondContact O-CB 2.93Å; A272-L276 PolarHBondContact O-N 3.14Å; A272-F300 HydrophobicContact CB-CD2 3.98Å; A272-F300 HydrophobicContact CB-CE2 4.48Å
273	L	96.7	Very high	95.5	Very high	15 Å²	15	8.6 Å²	8.6	8%	0.079	4%	0.042	C	C	.	.	H	α-helix	trans	-70.3	-35	176.8	-50.9	-178.9	0	0	0	111.4	I155 R270 V271 L276 T277 M331	I155-L273 HydrophobicContact CB-CB 4.27Å; R270-L273 WeakPolarHBondContact O-CA 3.4Å; R270-L273 VanDerWaalsContact O-CB 3.26Å; R270-L273 WeakPolarHBondContact O-CB 3.32Å; R270-L273 PolarHBondContact O-N 3.02Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-T277 WeakPolarHBondContact O-CB 3.39Å; L273-T277 PolarHBondContact O-N 2.93Å; L273-T277 PolarHBondContact O-OG1 3.2Å; L273-M331 HydrophobicContact CD2-CB 3.96Å; L273-M331 HydrophobicContact CD2-CG 3.66Å
274	T	96.9	Very high	95.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.4	-51.5	173.1	-56.8	0	0	0	0	110.6	I123 M134 V136 V257 R270 V271 L276 T277 V278	I123-T274 HydrophobicContact CD1-CG2 3.6Å; I123-T274 WeakPolarHBondContact CD1-O 3.49Å; I123-T274 HydrophobicContact CG2-CG2 4.11Å; M134-T274 HydrophobicContact SD-CG2 4.38Å; V136-T274 PolarHBondContact O-OG1 3.04Å; V257-T274 HydrophobicContact CG1-CG2 3.45Å; V257-T274 VanDerWaalsContact CG1-CG2 3.45Å; R270-T274 PolarHBondContact O-N 3.13Å; R270-T274 VanDerWaalsContact O-N 3.14Å; V271-T274 WeakPolarHBondContact O-CB 3.33Å; V271-T274 PolarHBondContact O-N 2.92Å; V271-T274 VanDerWaalsContact O-N 3.17Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 3.15Å; T274-T277 PolarHBondContact O-N 2.97Å; T274-V278 PolarHBondContact O-N 3.32Å
275	G	96.5	Very high	95.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.4	-41.6	175.3	0	0	0	0	0	112.8	V221 V271 A272 T277 V278 A279	V221-G275 WeakPolarHBondContact CG1-O 3.41Å; V271-G275 PolarHBondContact O-N 3.1Å; A272-G275 PolarHBondContact O-N 3.04Å; G275-T277 VanDerWaalsContact C-N 3.33Å; G275-T277 PolarHBondContact O-N 3.36Å; G275-V278 PolarHBondContact O-N 3.23Å; G275-A279 PolarHBondContact O-N 3.08Å
276	L	96.4	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.4	-41.5	175.9	-174.5	51.8	0	0	0	112.1	A272 L273 T274 V278 A279 E280 L292 M331 R334 I335 I343	A272-L276 VanDerWaalsContact O-CB 3.31Å; A272-L276 WeakPolarHBondContact O-CB 2.93Å; A272-L276 PolarHBondContact O-N 3.14Å; L273-L276 PolarHBondContact O-N 2.95Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 3.15Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 3.4Å; L276-A279 CarbonylContact O-C 3.59Å; L276-A279 WeakPolarHBondContact O-CB 3.26Å; L276-A279 PolarHBondContact O-N 2.62Å; L276-A279 VanDerWaalsContact O-N 3.1Å; L276-E280 HydrophobicContact CD1-CG 4.12Å; L276-E280 HydrophobicContact CG-CG 4.27Å; L276-E280 WeakPolarHBondContact O-CB 2.97Å; L276-E280 VanDerWaalsContact O-CG 3.25Å; L276-E280 WeakPolarHBondContact O-CG 3.48Å; L276-E280 PolarHBondContact O-N 2.86Å; L276-L292 HydrophobicContact CB-CD2 4.44Å; L276-L292 HydrophobicContact CD1-CD2 3.71Å; L276-M331 HydrophobicContact CD2-CG 4.08Å; L276-M331 HydrophobicContact CD2-SD 4.29Å; L276-R334 HydrophobicContact CD1-CB 4.48Å; L276-R334 HydrophobicContact CD2-CB 3.61Å; L276-R334 HydrophobicContact CD2-CG 4.41Å; L276-R334 HydrophobicContact CG-CB 4.28Å; L276-I335 HydrophobicContact CD1-CG1 3.59Å; L276-I335 HydrophobicContact CD2-CG1 4.28Å; L276-I343 HydrophobicContact CD1-CD1 4.34Å
277	T	96.9	Very high	94.8	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-65	-36.7	-179.9	-57	0	0	0	0	112.2	I123 V125 A153 A154 I155 L273 T274 G275 Y281 R334	I123-T277 HydrophobicContact CD1-CG2 3.97Å; I123-T277 HydrophobicContact CG1-CG2 4.17Å; V125-T277 HydrophobicContact CG1-CG2 4.32Å; A153-T277 HydrophobicContact CB-CG2 3.64Å; A154-T277 WeakPolarHBondContact O-CG2 3.17Å; I155-T277 WeakPolarHBondContact CA-OG1 3.39Å; I155-T277 PolarHBondContact O-OG1 3.37Å; L273-T277 WeakPolarHBondContact O-CB 3.39Å; L273-T277 PolarHBondContact O-N 2.93Å; L273-T277 PolarHBondContact O-OG1 3.2Å; T274-T277 PolarHBondContact O-N 2.97Å; G275-T277 VanDerWaalsContact C-N 3.33Å; G275-T277 PolarHBondContact O-N 3.36Å; T277-Y281 PolarHBondContact O-N 3.25Å; T277-Y281 VanDerWaalsContact O-N 3.1Å; T277-R334 PolarHBondContact OG1-NH2 2.85Å; T277-R334 VanDerWaalsContact OG1-NH2 3.12Å
278	V	96.3	Very high	94.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-44.3	171.4	178.2	0	0	0	0	110.6	I123 M134 V221 A255 V257 T274 G275 L276 E280 Y281 F282	I123-V278 HydrophobicContact CD1-CG2 3.86Å; M134-V278 HydrophobicContact SD-CG2 3.97Å; V221-V278 HydrophobicContact CG1-CB 4.25Å; V221-V278 HydrophobicContact CG1-CG1 4.3Å; V221-V278 HydrophobicContact CG2-CB 4.35Å; V221-V278 HydrophobicContact CG2-CG1 3.83Å; A255-V278 HydrophobicContact CB-CG1 4.08Å; V257-V278 HydrophobicContact CG2-CG2 4.48Å; T274-V278 PolarHBondContact O-N 3.32Å; G275-V278 PolarHBondContact O-N 3.23Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 3.4Å; V278-E280 PolarHBondContact O-N 3.05Å; V278-Y281 WeakPolarHBondContact O-CB 3.49Å; V278-Y281 PolarHBondContact O-N 3.34Å; V278-F282 HydrophobicContact CG1-CD2 4.28Å; V278-F282 HydrophobicContact CG1-CE2 3.71Å; V278-F282 VanDerWaalsContact O-CD2 3.22Å; V278-F282 WeakPolarHBondContact O-CD2 3.42Å; V278-F282 PolarHBondContact O-N 3.15Å
279	A	95.9	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-39.7	177.4	0	0	0	0	0	112.5	V221 G275 L276 Y281 F282 R283 V290 L292 I343	V221-A279 HydrophobicContact CB-CB 4.37Å; V221-A279 HydrophobicContact CG2-CB 4.03Å; G275-A279 PolarHBondContact O-N 3.08Å; L276-A279 CarbonylContact O-C 3.59Å; L276-A279 WeakPolarHBondContact O-CB 3.26Å; L276-A279 PolarHBondContact O-N 2.62Å; L276-A279 VanDerWaalsContact O-N 3.1Å; A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 2.65Å; A279-F282 PolarHBondContact O-N 2.86Å; A279-R283 PolarHBondContact O-N 2.73Å; A279-V290 HydrophobicContact CB-CG1 3.89Å; A279-L292 HydrophobicContact CB-CB 4.46Å; A279-L292 HydrophobicContact CB-CD1 4.32Å; A279-I343 HydrophobicContact CB-CD1 4.14Å; A279-I343 HydrophobicContact CB-CG1 4.44Å; A279-I343 HydrophobicContact CB-CG2 4.41Å
280	E	95.5	Very high	94.1	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-33.7	177.4	-72	-170.7	119.7	0	0	112.3	R36 L276 V278 R283 D284 R334 I343	R36-E280 IonicContact CZ-OE1 2.69Å; R36-E280 IonicContact NH2-OE1 2.69Å; R36-E280 PolarHBondContact NH2-OE1 3.4Å; L276-E280 HydrophobicContact CD1-CG 4.12Å; L276-E280 HydrophobicContact CG-CG 4.27Å; L276-E280 WeakPolarHBondContact O-CB 2.97Å; L276-E280 VanDerWaalsContact O-CG 3.25Å; L276-E280 WeakPolarHBondContact O-CG 3.48Å; L276-E280 PolarHBondContact O-N 2.86Å; V278-E280 PolarHBondContact O-N 3.05Å; E280-R283 VanDerWaalsContact CG-NH2 3.32Å; E280-R283 PolarHBondContact O-N 3.36Å; E280-R283 IonicContact OE1-CZ 3.06Å; E280-R283 IonicContact OE1-NH1 2.7Å; E280-R283 IonicContact OE1-NH2 3.97Å; E280-R283 PolarHBondContact OE1-NH2 2.99Å; E280-D284 VanDerWaalsContact O-CB 3.25Å; E280-D284 WeakPolarHBondContact O-CB 3.34Å; E280-D284 VanDerWaalsContact O-CG 3.29Å; E280-D284 PolarHBondContact O-N 3.24Å; E280-R334 IonicContact OE1-NE 2.82Å; E280-R334 IonicContact OE2-CZ 3.64Å; E280-R334 VanDerWaalsContact OE2-CZ 3.31Å; E280-R334 IonicContact OE2-NE 3.77Å; E280-R334 PolarHBondContact OE2-NE 3.13Å; E280-R334 VanDerWaalsContact OE2-NE 3.12Å; E280-R334 IonicContact OE2-NH2 3.68Å; E280-R334 PolarHBondContact OE2-NH2 3.05Å; E280-I343 HydrophobicContact CB-CD1 4.49Å; E280-I343 HydrophobicContact CG-CD1 3.77Å
281	Y	95.3	Very high	93.9	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.059	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-50.8	170.8	177.3	-88.9	0	0	0	111.5	Y38 V125 G126 T277 V278 A279 R283 D284 Q285 E286	Y38-Y281 AromaticContact CD1-CD2 3.68Å; Y38-Y281 HydrophobicContact CD1-CD2 3.68Å; Y38-Y281 HydrophobicContact CD1-CE2 4.22Å; Y38-Y281 AromaticContact CE1-CD2 3.57Å; Y38-Y281 HydrophobicContact CE1-CD2 3.57Å; Y38-Y281 HydrophobicContact CE1-CE2 4.48Å; Y38-Y281 HydrophobicContact CE1-CG 4.35Å; V125-Y281 HydrophobicContact CB-CD2 3.82Å; V125-Y281 HydrophobicContact CB-CG 3.85Å; V125-Y281 HydrophobicContact CG2-CD2 3.45Å; V125-Y281 VanDerWaalsContact CG2-CD2 3.45Å; V125-Y281 HydrophobicContact CG2-CE2 3.94Å; V125-Y281 HydrophobicContact CG2-CG 4.03Å; G126-Y281 VanDerWaalsContact CA-CE1 3.42Å; T277-Y281 PolarHBondContact O-N 3.25Å; T277-Y281 VanDerWaalsContact O-N 3.1Å; V278-Y281 WeakPolarHBondContact O-CB 3.49Å; V278-Y281 PolarHBondContact O-N 3.34Å; A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 2.65Å; Y281-R283 VanDerWaalsContact C-N 3.29Å; Y281-R283 PolarHBondContact O-N 3.23Å; Y281-D284 PolarHBondContact O-N 3.18Å; Y281-Q285 HydrophobicContact CD2-CB 4.16Å; Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.44Å; Y281-Q285 HydrophobicContact CE2-CB 3.91Å; Y281-Q285 HydrophobicContact CE2-CG 3.8Å; Y281-Q285 WeakPolarHBondContact O-CB 3.27Å; Y281-Q285 PolarHBondContact O-N 3.1Å; Y281-E286 HydrophobicContact CD1-CG 4.46Å; Y281-E286 HydrophobicContact CE1-CG 3.9Å; Y281-E286 PolarHBondContact O-N 3.5Å
282	F	93.7	Very high	93.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-32.9	-179.9	-65.5	-57	0	0	0	112.3	L130 Y219 V221 V278 A279 E286 G287 Q288 V290	L130-F282 HydrophobicContact CD2-CE2 4.28Å; L130-F282 HydrophobicContact CD2-CZ 3.91Å; L130-F282 HydrophobicContact CG-CZ 4.12Å; Y219-F282 AromaticContact CD2-CD1 3.53Å; Y219-F282 HydrophobicContact CD2-CD1 3.53Å; Y219-F282 AromaticContact CD2-CE1 3.72Å; Y219-F282 HydrophobicContact CD2-CE1 3.72Å; Y219-F282 HydrophobicContact CD2-CG 4.01Å; Y219-F282 HydrophobicContact CD2-CZ 4.32Å; Y219-F282 HydrophobicContact CE2-CD1 4.03Å; Y219-F282 HydrophobicContact CE2-CE1 4.02Å; Y219-F282 HydrophobicContact CG-CD1 4.44Å; Y219-F282 HydrophobicContact CG-CE1 4.44Å; V221-F282 HydrophobicContact CG2-CD2 4.25Å; V221-F282 HydrophobicContact CG2-CE2 4.3Å; V278-F282 HydrophobicContact CG1-CD2 4.28Å; V278-F282 HydrophobicContact CG1-CE2 3.71Å; V278-F282 VanDerWaalsContact O-CD2 3.22Å; V278-F282 WeakPolarHBondContact O-CD2 3.42Å; V278-F282 PolarHBondContact O-N 3.15Å; A279-F282 PolarHBondContact O-N 2.86Å; F282-E286 HydrophobicContact CD1-CG 4.08Å; F282-E286 CarbonylContact O-C 3.57Å; F282-E286 WeakPolarHBondContact O-CB 3.46Å; F282-G287 PolarHBondContact O-N 3.35Å; F282-G287 VanDerWaalsContact O-N 3.14Å; F282-Q288 PolarHBondContact O-N 3.24Å; F282-V290 HydrophobicContact CB-CG2 3.42Å; F282-V290 VanDerWaalsContact CB-CG2 3.42Å
283	R	93.9	Very high	93.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-50.5	172.7	-174.8	-166.7	61.1	-149.6	-13.4	112.5	A279 E280 Y281 G287 R334 G341 I343	A279-R283 PolarHBondContact O-N 2.73Å; E280-R283 VanDerWaalsContact CG-NH2 3.32Å; E280-R283 PolarHBondContact O-N 3.36Å; E280-R283 IonicContact OE1-CZ 3.06Å; E280-R283 IonicContact OE1-NH1 2.7Å; E280-R283 IonicContact OE1-NH2 3.97Å; E280-R283 PolarHBondContact OE1-NH2 2.99Å; Y281-R283 VanDerWaalsContact C-N 3.29Å; Y281-R283 PolarHBondContact O-N 3.23Å; R283-G287 WeakPolarHBondContact O-CA 3.26Å; R283-G287 PolarHBondContact O-N 2.98Å; R283-R334 PolarHBondContact NH1-O 3.39Å; R283-G341 WeakPolarHBondContact CG-O 3.38Å; R283-I343 HydrophobicContact CB-CD1 4.08Å; R283-I343 HydrophobicContact CB-CG1 3.91Å; R283-I343 HydrophobicContact CG-CG1 4.22Å
284	D	92.9	Very high	93.6	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.064	9%	0.094	C	C	.	.	H	α-helix	trans	-91.9	-30.7	-163.9	-64.7	-30.6	0	0	0	114.1	R36 E280 Y281 K340	R36-D284 IonicContact CZ-OD2 2.7Å; R36-D284 IonicContact NE-OD2 3.68Å; R36-D284 IonicContact NH1-OD1 2.78Å; R36-D284 PolarHBondContact NH1-OD1 3.34Å; R36-D284 IonicContact NH1-OD2 3.34Å; R36-D284 PolarHBondContact NH1-OD2 3.05Å; E280-D284 VanDerWaalsContact O-CB 3.25Å; E280-D284 WeakPolarHBondContact O-CB 3.34Å; E280-D284 VanDerWaalsContact O-CG 3.29Å; E280-D284 PolarHBondContact O-N 3.24Å; Y281-D284 PolarHBondContact O-N 3.18Å; D284-K340 WeakPolarHBondContact O-CD 3.14Å; D284-K340 PolarHBondContact O-NZ 3.1Å
285	Q	91.8	Very high	93.3	Very high	92 Å²	92	18.1 Å²	18.1	43%	0.43	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-47.4	-179.5	-63.7	-62.6	-20.5	0	0	111.9	Y38 Y281	Y38-Q285 HydrophobicContact CD1-CG 4.23Å; Y38-Q285 HydrophobicContact CD2-CG 4.13Å; Y38-Q285 HydrophobicContact CE1-CG 4.14Å; Y38-Q285 HydrophobicContact CE2-CG 3.99Å; Y38-Q285 HydrophobicContact CG-CG 4.21Å; Y281-Q285 HydrophobicContact CD2-CB 4.16Å; Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.44Å; Y281-Q285 HydrophobicContact CE2-CB 3.91Å; Y281-Q285 HydrophobicContact CE2-CG 3.8Å; Y281-Q285 WeakPolarHBondContact O-CB 3.27Å; Y281-Q285 PolarHBondContact O-N 3.1Å
286	E	89.9	Confident	92.9	Very high	83 Å²	83	18.3 Å²	18.3	39%	0.388	10%	0.099	S	C	.	.	S	Bend	trans	-85.7	-15.8	-179.9	-62	-69.5	165.1	0	0	112.8	Y281 F282 Q288	Y281-E286 HydrophobicContact CD1-CG 4.46Å; Y281-E286 HydrophobicContact CE1-CG 3.9Å; Y281-E286 PolarHBondContact O-N 3.5Å; F282-E286 HydrophobicContact CD1-CG 4.08Å; F282-E286 CarbonylContact O-C 3.57Å; F282-E286 WeakPolarHBondContact O-CB 3.46Å; E286-Q288 VanDerWaalsContact C-N 3.31Å; E286-Q288 HydrophobicContact CB-CG 4.05Å; E286-Q288 PolarHBondContact O-N 2.79Å
287	G	89.8	Confident	92.6	Very high	39 Å²	39	18.3 Å²	18.3	40%	0.402	10%	0.099	S	C	.	.			trans	65.8	33.4	178	0	0	0	0	0	113.3	F282 R283 K340	F282-G287 PolarHBondContact O-N 3.35Å; F282-G287 VanDerWaalsContact O-N 3.14Å; R283-G287 WeakPolarHBondContact O-CA 3.26Å; R283-G287 PolarHBondContact O-N 2.98Å; G287-K340 CarbonylContact C-O 3.56Å; G287-K340 VanDerWaalsContact CA-O 3.24Å; G287-K340 WeakPolarHBondContact CA-O 3.25Å
288	Q	87.3	Confident	92.3	Very high	52 Å²	52	19 Å²	19	24%	0.243	10%	0.102	C	C	.	.			trans	-103.3	161.3	-175.5	-65.3	-168.7	-1.2	0	0	112.6	F282 E286 S342	F282-Q288 PolarHBondContact O-N 3.24Å; E286-Q288 VanDerWaalsContact C-N 3.31Å; E286-Q288 HydrophobicContact CB-CG 4.05Å; E286-Q288 PolarHBondContact O-N 2.79Å; Q288-S342 PolarHBondContact O-N 2.95Å
289	D	88.9	Confident	92.1	Very high	56 Å²	56	21.1 Å²	21.1	30%	0.299	11%	0.11	S	C	.	.			trans	-84.9	118.9	166.6	-63.7	-42.4	0	0	0	109.2	K187 G218 S342	K187-D289 WeakPolarHBondContact CE-OD1 3.37Å; K187-D289 WeakPolarHBondContact CE-OD2 3.48Å; K187-D289 IonicContact NZ-OD1 3.45Å; K187-D289 PolarHBondContact NZ-OD1 2.65Å; K187-D289 IonicContact NZ-OD2 2.98Å; K187-D289 PolarHBondContact NZ-OD2 2.91Å; G218-D289 WeakPolarHBondContact CA-O 2.94Å; D289-S342 WeakPolarHBondContact CA-O 3.49Å; D289-S342 VanDerWaalsContact CG-OG 3.32Å; D289-S342 WeakPolarHBondContact OD1-CB 3.23Å; D289-S342 PolarHBondContact OD1-N 3Å; D289-S342 PolarHBondContact OD1-OG 3.33Å
290	V	92	Very high	92	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.6	-171	-172.8	0	0	0	0	109.4	Y219 V221 A279 F282 S342 I343 T344	Y219-V290 WeakPolarHBondContact O-CA 3.49Å; V221-V290 HydrophobicContact CG2-CG1 4.27Å; A279-V290 HydrophobicContact CB-CG1 3.89Å; F282-V290 HydrophobicContact CB-CG2 3.42Å; F282-V290 VanDerWaalsContact CB-CG2 3.42Å; V290-S342 PolarHBondContact N-O 3.42Å; V290-I343 HydrophobicContact CB-CG1 4.35Å; V290-I343 CarbonylContact O-C 3.58Å; V290-I343 WeakPolarHBondContact O-CA 3.41Å; V290-T344 PolarHBondContact O-N 3.19Å
291	L	92.9	Very high	91.9	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.1	166.3	-65.6	-171	0	0	0	110.6	L172 V212 Y219 S220 V221 F293 T344	L172-L291 HydrophobicContact CD2-CD2 4.01Å; V212-L291 HydrophobicContact CB-CD1 3.52Å; V212-L291 HydrophobicContact CB-CG 4.28Å; V212-L291 HydrophobicContact CG1-CD1 3.67Å; V212-L291 HydrophobicContact CG1-CD2 4.29Å; V212-L291 HydrophobicContact CG1-CG 3.85Å; V212-L291 HydrophobicContact CG2-CD1 3.74Å; Y219-L291 PolarHBondContact O-N 3.43Å; S220-L291 CarbonylContact C-O 2.91Å; S220-L291 VanDerWaalsContact CA-O 3.31Å; S220-L291 WeakPolarHBondContact CA-O 3.4Å; V221-L291 PolarHBondContact N-O 3.38Å; L291-F293 HydrophobicContact CB-CD2 4.34Å; L291-F293 HydrophobicContact CB-CE2 3.56Å; L291-F293 HydrophobicContact CB-CZ 4.16Å; L291-F293 HydrophobicContact CD1-CE2 3.94Å; L291-F293 HydrophobicContact CD1-CZ 3.83Å; L291-F293 HydrophobicContact CG-CE2 4.43Å; L291-T344 WeakPolarHBondContact CA-O 3.43Å; L291-T344 HydrophobicContact CD2-CG2 4.33Å
292	L	95.2	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.8	173.8	176.9	63.5	0	0	0	109.9	V221 L276 A279 I294 I335 I343 T344 S345 V346	V221-L292 HydrophobicContact CB-CD1 4.02Å; V221-L292 HydrophobicContact CG1-CD1 4.1Å; V221-L292 CarbonylContact O-C 3.51Å; V221-L292 WeakPolarHBondContact O-CA 3.28Å; L276-L292 HydrophobicContact CB-CD2 4.44Å; L276-L292 HydrophobicContact CD1-CD2 3.71Å; A279-L292 HydrophobicContact CB-CB 4.46Å; A279-L292 HydrophobicContact CB-CD1 4.32Å; L292-I294 HydrophobicContact CD2-CD1 4.07Å; L292-I294 HydrophobicContact CD2-CG1 4.24Å; L292-I294 HydrophobicContact CG-CD1 4.39Å; L292-I294 HydrophobicContact CG-CG1 4.01Å; L292-I335 HydrophobicContact CD2-CD1 3.97Å; L292-I335 HydrophobicContact CD2-CG1 4.08Å; L292-I343 HydrophobicContact CB-CG2 3.72Å; L292-I343 HydrophobicContact CD2-CG2 4.27Å; L292-T344 PolarHBondContact N-O 3.4Å; L292-S345 CarbonylContact O-C 3.59Å; L292-S345 WeakPolarHBondContact O-CA 3.44Å; L292-V346 PolarHBondContact O-N 2.97Å
293	F	94.1	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.9	173.8	-64.1	-88.5	0	0	0	109.4	I205 L208 I209 V221 F222 A223 L291 V346	I205-F293 HydrophobicContact CB-CD1 4.16Å; I205-F293 HydrophobicContact CB-CE1 4.23Å; I205-F293 HydrophobicContact CG1-CD1 4.01Å; I205-F293 HydrophobicContact CG1-CE1 4.28Å; I205-F293 HydrophobicContact CG2-CB 4.49Å; I205-F293 HydrophobicContact CG2-CD1 3.39Å; I205-F293 HydrophobicContact CG2-CE1 3.69Å; I205-F293 HydrophobicContact CG2-CG 3.94Å; I205-F293 HydrophobicContact CG2-CZ 4.46Å; L208-F293 HydrophobicContact CB-CE1 4.21Å; L208-F293 HydrophobicContact CB-CZ 4.08Å; L208-F293 HydrophobicContact CD1-CE1 4.47Å; I209-F293 HydrophobicContact CB-CE2 4.45Å; I209-F293 HydrophobicContact CD1-CD2 3.97Å; I209-F293 HydrophobicContact CD1-CE2 3.82Å; I209-F293 HydrophobicContact CD1-CZ 4.2Å; I209-F293 HydrophobicContact CG1-CD2 3.84Å; I209-F293 HydrophobicContact CG1-CE1 4.25Å; I209-F293 HydrophobicContact CG1-CE2 3.16Å; I209-F293 HydrophobicContact CG1-CZ 3.4Å; V221-F293 PolarHBondContact O-N 2.74Å; F222-F293 HydrophobicContact CB-CB 4.47Å; F222-F293 HydrophobicContact CD2-CB 3.54Å; F222-F293 HydrophobicContact CD2-CG 4.28Å; F222-F293 HydrophobicContact CE2-CB 4.09Å; F222-F293 HydrophobicContact CG-CB 4.27Å; A223-F293 PolarHBondContact N-O 3.32Å; L291-F293 HydrophobicContact CB-CD2 4.34Å; L291-F293 HydrophobicContact CB-CE2 3.56Å; L291-F293 HydrophobicContact CB-CZ 4.16Å; L291-F293 HydrophobicContact CD1-CE2 3.94Å; L291-F293 HydrophobicContact CD1-CZ 3.83Å; L291-F293 HydrophobicContact CG-CE2 4.43Å; F293-V346 VanDerWaalsContact CA-O 3.32Å; F293-V346 WeakPolarHBondContact CA-O 3.48Å; F293-V346 HydrophobicContact CD1-CB 3.64Å; F293-V346 HydrophobicContact CD1-CG1 4.06Å; F293-V346 HydrophobicContact CD1-CG2 4.34Å; F293-V346 HydrophobicContact CE1-CB 3.65Å; F293-V346 HydrophobicContact CE1-CG1 4.02Å; F293-V346 HydrophobicContact CE1-CG2 3.88Å; F293-V346 HydrophobicContact CZ-CG2 4.45Å
294	I	93.6	Very high	91.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.6	175.3	-53.4	-179.7	0	0	0	107.8	V225 L292 I297 M331 I335 V346 Q347 A348	V225-I294 HydrophobicContact CG2-CG2 3.79Å; L292-I294 HydrophobicContact CD2-CD1 4.07Å; L292-I294 HydrophobicContact CD2-CG1 4.24Å; L292-I294 HydrophobicContact CG-CD1 4.39Å; L292-I294 HydrophobicContact CG-CG1 4.01Å; I294-I297 HydrophobicContact CG2-CB 4.21Å; I294-I297 HydrophobicContact CG2-CD1 4.24Å; I294-M331 HydrophobicContact CD1-CE 4.39Å; I294-M331 HydrophobicContact CD1-SD 4.14Å; I294-I335 HydrophobicContact CD1-CD1 4.01Å; I294-V346 PolarHBondContact N-O 3.48Å; I294-Q347 HydrophobicContact CB-CB 4.43Å; I294-Q347 HydrophobicContact CB-CG 4.21Å; I294-Q347 HydrophobicContact CD1-CG 4.22Å; I294-Q347 HydrophobicContact CG1-CG 4.38Å; I294-Q347 CarbonylContact O-C 3.34Å; I294-Q347 WeakPolarHBondContact O-CA 3.31Å; I294-A348 PolarHBondContact O-N 3.29Å
295	D	90.1	Very high	91.9	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	104.7	175.5	-163.4	3.9	0	0	0	108	F222 A223 G224 V225 E227 A348	F222-D295 HydrophobicContact CE1-CB 4.46Å; F222-D295 HydrophobicContact CE2-CB 4.32Å; F222-D295 HydrophobicContact CZ-CB 3.74Å; A223-D295 PolarHBondContact O-N 2.83Å; G224-D295 CarbonylContact C-O 3.59Å; G224-D295 VanDerWaalsContact CA-O 3.23Å; G224-D295 WeakPolarHBondContact CA-O 3.33Å; V225-D295 PolarHBondContact N-O 3.25Å; E227-D295 HydrophobicContact CG-CB 4.25Å; E227-D295 WeakPolarHBondContact CG-O 3.37Å; D295-A348 HydrophobicContact CB-CB 4.23Å; D295-A348 WeakPolarHBondContact OD1-CB 3.46Å
296	N	87.8	Confident	92	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	cis	-123.2	137.2	2.8	-167.6	-63.2	0	0	0	111.7	V225 E227 F298 R299 A348 Y350	V225-N296 PolarHBondContact O-N 3.36Å; V225-N296 VanDerWaalsContact O-N 3.08Å; E227-N296 WeakPolarHBondContact OE1-CB 3.39Å; E227-N296 PolarHBondContact OE1-N 3.35Å; N296-F298 PolarHBondContact O-N 2.95Å; N296-F298 VanDerWaalsContact OD1-CB 3.22Å; N296-F298 WeakPolarHBondContact OD1-CB 3.14Å; N296-F298 PolarHBondContact OD1-N 3.12Å; N296-R299 HydrophobicContact CB-CG 4.12Å; N296-R299 WeakPolarHBondContact O-CB 3.3Å; N296-R299 PolarHBondContact O-N 2.91Å; N296-A348 PolarHBondContact ND2-O 3.25Å; N296-A348 PolarHBondContact OD1-O 2.94Å; N296-Y350 PolarHBondContact ND2-N 2.68Å; N296-Y350 PolarHBondContact OD1-N 2.77Å; N296-Y350 VanDerWaalsContact OD1-N 3.09Å
297	I	90.6	Very high	92.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-26.7	-178	-170.6	57.4	0	0	0	113	I294 R299 F300 T301 M328 M331 Q347 A348 I349 T364	I294-I297 HydrophobicContact CG2-CB 4.21Å; I294-I297 HydrophobicContact CG2-CD1 4.24Å; I297-R299 PolarHBondContact O-N 2.96Å; I297-F300 HydrophobicContact CD1-CB 4.08Å; I297-F300 HydrophobicContact CD1-CD1 4.18Å; I297-F300 HydrophobicContact CD1-CG 4.33Å; I297-F300 WeakPolarHBondContact O-CB 3.25Å; I297-F300 PolarHBondContact O-N 2.76Å; I297-T301 PolarHBondContact O-N 2.8Å; I297-M328 HydrophobicContact CD1-CE 4.24Å; I297-M328 HydrophobicContact CD1-SD 4.11Å; I297-M328 HydrophobicContact CG1-CE 3.98Å; I297-M328 HydrophobicContact CG1-SD 4.07Å; I297-M331 HydrophobicContact CD1-CE 3.17Å; I297-M331 HydrophobicContact CG1-CE 4.27Å; I297-Q347 HydrophobicContact CG2-CB 4.43Å; I297-A348 PolarHBondContact N-O 3.4Å; I297-A348 VanDerWaalsContact N-O 3.09Å; I297-I349 HydrophobicContact CG2-CB 4.34Å; I297-I349 HydrophobicContact CG2-CD1 4.42Å; I297-I349 HydrophobicContact CG2-CG1 3.4Å; I297-I349 VanDerWaalsContact CG2-CG1 3.4Å; I297-T364 HydrophobicContact CG2-CG2 4.2Å
298	F	90.4	Very high	92.4	Very high	18 Å²	18	18.8 Å²	18.8	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-34.5	173.5	178.2	-97	0	0	0	112	N296 F300 T301 Q302 Y320 Y350 P352 A360	N296-F298 PolarHBondContact O-N 2.95Å; N296-F298 VanDerWaalsContact OD1-CB 3.22Å; N296-F298 WeakPolarHBondContact OD1-CB 3.14Å; N296-F298 PolarHBondContact OD1-N 3.12Å; F298-F300 VanDerWaalsContact C-N 3.31Å; F298-F300 PolarHBondContact O-N 2.98Å; F298-T301 WeakPolarHBondContact O-CB 3.48Å; F298-T301 PolarHBondContact O-N 3.01Å; F298-Q302 HydrophobicContact CE1-CB 4.4Å; F298-Q302 PolarHBondContact O-N 2.9Å; F298-Y320 WeakPolarHBondContact CE2-OH 3.4Å; F298-Y350 AromaticContact CD1-CD1 3.65Å; F298-Y350 HydrophobicContact CD1-CD1 3.65Å; F298-Y350 HydrophobicContact CD1-CG 4.4Å; F298-Y350 AromaticContact CE1-CD1 3.78Å; F298-Y350 HydrophobicContact CE1-CD1 3.78Å; F298-Y350 HydrophobicContact CE1-CE1 4.29Å; F298-Y350 HydrophobicContact CG-CD1 4.1Å; F298-Y350 HydrophobicContact CZ-CD1 4.35Å; F298-P352 HydrophobicContact CE2-CB 4.36Å; F298-P352 HydrophobicContact CE2-CG 3.8Å; F298-P352 HydrophobicContact CZ-CB 4.18Å; F298-P352 HydrophobicContact CZ-CG 4.11Å; F298-A360 HydrophobicContact CD2-CB 4.02Å; F298-A360 HydrophobicContact CE2-CB 4Å
299	R	92.1	Very high	92.7	Very high	45 Å²	45	19.7 Å²	19.7	17%	0.17	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-29	179.9	-64.4	-65.7	-173.9	-157.4	-6.3	112.6	V225 N296 I297 Q302 A303	V225-R299 HydrophobicContact CG1-CB 4.13Å; V225-R299 WeakPolarHBondContact O-CB 3.48Å; V225-R299 WeakPolarHBondContact O-CG 3.19Å; N296-R299 HydrophobicContact CB-CG 4.12Å; N296-R299 WeakPolarHBondContact O-CB 3.3Å; N296-R299 PolarHBondContact O-N 2.91Å; I297-R299 PolarHBondContact O-N 2.96Å; R299-Q302 VanDerWaalsContact CD-OE1 3.26Å; R299-A303 VanDerWaalsContact O-CB 3.27Å; R299-A303 WeakPolarHBondContact O-CB 3.36Å; R299-A303 PolarHBondContact O-N 2.89Å
300	F	93.6	Very high	92.8	Very high	12 Å²	12	20 Å²	20	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-48.8	168.6	171.2	-99.6	0	0	0	110.5	V225 A269 A272 I297 F298 A303 G304 M328 M331	V225-F300 HydrophobicContact CG1-CB 4.03Å; A269-F300 VanDerWaalsContact O-CE2 3.25Å; A269-F300 WeakPolarHBondContact O-CE2 3.49Å; A272-F300 HydrophobicContact CB-CD2 3.98Å; A272-F300 HydrophobicContact CB-CE2 4.48Å; I297-F300 HydrophobicContact CD1-CB 4.08Å; I297-F300 HydrophobicContact CD1-CD1 4.18Å; I297-F300 HydrophobicContact CD1-CG 4.33Å; I297-F300 WeakPolarHBondContact O-CB 3.25Å; I297-F300 PolarHBondContact O-N 2.76Å; F298-F300 VanDerWaalsContact C-N 3.31Å; F298-F300 PolarHBondContact O-N 2.98Å; F300-A303 PolarHBondContact O-N 2.79Å; F300-G304 PolarHBondContact O-N 2.92Å; F300-M328 HydrophobicContact CD1-CE 4.26Å; F300-M331 HydrophobicContact CZ-CB 4.46Å
301	T	93.4	Very high	92.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-44.8	176.9	-65.3	0	0	0	0	112.4	I297 F298 A303 G304 S305 Y320 L324 M328 A360	I297-T301 PolarHBondContact O-N 2.8Å; F298-T301 WeakPolarHBondContact O-CB 3.48Å; F298-T301 PolarHBondContact O-N 3.01Å; T301-A303 PolarHBondContact O-N 2.77Å; T301-G304 WeakPolarHBondContact O-CA 3.24Å; T301-G304 PolarHBondContact O-N 3.45Å; T301-G304 VanDerWaalsContact O-N 3.14Å; T301-S305 PolarHBondContact O-N 3.03Å; T301-Y320 HydrophobicContact CG2-CD1 3.73Å; T301-Y320 HydrophobicContact CG2-CE1 3.77Å; T301-L324 HydrophobicContact CG2-CD1 3.34Å; T301-M328 WeakPolarHBondContact OG1-CE 3.49Å; T301-A360 HydrophobicContact CG2-CB 3.61Å
302	Q	93.1	Very high	92.7	Very high	62 Å²	62	22.9 Å²	22.9	29%	0.29	14%	0.143	S	C	.	.	H	α-helix	trans	-59.2	-47.6	177.9	-171.9	-173.6	22.9	0	0	111.3	F298 R299 G304 S305 E306	F298-Q302 HydrophobicContact CE1-CB 4.4Å; F298-Q302 PolarHBondContact O-N 2.9Å; R299-Q302 VanDerWaalsContact CD-OE1 3.26Å; Q302-G304 VanDerWaalsContact C-N 3.28Å; Q302-G304 PolarHBondContact O-N 3.12Å; Q302-S305 PolarHBondContact O-N 2.8Å; Q302-S305 VanDerWaalsContact O-N 3.17Å; Q302-E306 WeakPolarHBondContact O-CG 3.35Å; Q302-E306 PolarHBondContact O-N 3.43Å
303	A	94.4	Very high	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-38.9	175.7	0	0	0	0	0	111.6	P265 R268 A269 R299 F300 T301 E306 V307	P265-A303 HydrophobicContact CB-CB 4.45Å; R268-A303 HydrophobicContact CB-CB 3.59Å; A269-A303 HydrophobicContact CB-CB 3.94Å; R299-A303 VanDerWaalsContact O-CB 3.27Å; R299-A303 WeakPolarHBondContact O-CB 3.36Å; R299-A303 PolarHBondContact O-N 2.89Å; F300-A303 PolarHBondContact O-N 2.79Å; T301-A303 PolarHBondContact O-N 2.77Å; A303-E306 PolarHBondContact O-N 2.87Å; A303-V307 WeakPolarHBondContact O-CB 3.28Å; A303-V307 WeakPolarHBondContact O-CG2 3.47Å; A303-V307 PolarHBondContact O-N 3.23Å
304	G	93.7	Very high	92.7	Very high	13 Å²	13	33.9 Å²	33.9	13%	0.134	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-41.9	173	0	0	0	0	0	113.7	F300 T301 Q302 S308	F300-G304 PolarHBondContact O-N 2.92Å; T301-G304 WeakPolarHBondContact O-CA 3.24Å; T301-G304 PolarHBondContact O-N 3.45Å; T301-G304 VanDerWaalsContact O-N 3.14Å; Q302-G304 VanDerWaalsContact C-N 3.28Å; Q302-G304 PolarHBondContact O-N 3.12Å; G304-S308 WeakPolarHBondContact O-CB 3.09Å; G304-S308 PolarHBondContact O-N 3.27Å
305	S	94.5	Very high	92.7	Very high	30 Å²	30	38 Å²	38	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-45.6	174.6	170.5	0	0	0	0	111.6	T301 Q302 V307 S308 A309 G319	T301-S305 PolarHBondContact O-N 3.03Å; Q302-S305 PolarHBondContact O-N 2.8Å; Q302-S305 VanDerWaalsContact O-N 3.17Å; S305-V307 PolarHBondContact O-N 3.23Å; S305-S308 PolarHBondContact O-N 2.68Å; S305-A309 PolarHBondContact O-N 2.76Å; S305-G319 PolarHBondContact OG-O 3.32Å
306	E	94.4	Very high	92.9	Very high	64 Å²	64	40.7 Å²	40.7	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-47.9	176.2	-68.1	173.1	-125.3	0	0	111.7	P265 R268 Q302 A303 A309 L310	P265-E306 HydrophobicContact CB-CB 3.81Å; P265-E306 WeakPolarHBondContact CB-OE2 3.4Å; P265-E306 HydrophobicContact CG-CB 4.27Å; R268-E306 IonicContact CZ-OE1 3.31Å; R268-E306 IonicContact CZ-OE2 3.71Å; R268-E306 IonicContact NH1-OE1 3.66Å; R268-E306 PolarHBondContact NH1-OE1 3.35Å; R268-E306 VanDerWaalsContact NH2-CD 3.27Å; R268-E306 IonicContact NH2-OE1 3.12Å; R268-E306 PolarHBondContact NH2-OE1 3.39Å; R268-E306 IonicContact NH2-OE2 2.68Å; R268-E306 PolarHBondContact NH2-OE2 3.45Å; Q302-E306 WeakPolarHBondContact O-CG 3.35Å; Q302-E306 PolarHBondContact O-N 3.43Å; A303-E306 PolarHBondContact O-N 2.87Å; E306-A309 PolarHBondContact O-N 2.91Å; E306-L310 WeakPolarHBondContact O-CG 3.46Å; E306-L310 PolarHBondContact O-N 3.28Å; E306-L310 VanDerWaalsContact O-N 3.16Å
307	V	93.5	Very high	92.9	Very high	11 Å²	11	43.3 Å²	43.3	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-46.2	175.6	167.8	0	0	0	0	110.9	I100 P265 A269 A303 S305 A309 L310 L311	I100-V307 HydrophobicContact CD1-CG1 3.36Å; I100-V307 HydrophobicContact CG1-CG1 3.96Å; I100-V307 HydrophobicContact CG2-CG2 4.25Å; P265-V307 HydrophobicContact CB-CG2 4.06Å; A269-V307 HydrophobicContact CB-CG2 4.41Å; A303-V307 WeakPolarHBondContact O-CB 3.28Å; A303-V307 WeakPolarHBondContact O-CG2 3.47Å; A303-V307 PolarHBondContact O-N 3.23Å; S305-V307 PolarHBondContact O-N 3.23Å; V307-A309 VanDerWaalsContact C-N 3.31Å; V307-A309 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 2.81Å; V307-L310 VanDerWaalsContact O-N 3.17Å; V307-L311 HydrophobicContact CG1-CD1 3.89Å; V307-L311 HydrophobicContact CG1-CG 4.21Å; V307-L311 WeakPolarHBondContact O-CG 3.37Å; V307-L311 PolarHBondContact O-N 2.97Å
308	S	94.4	Very high	92.9	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-40.2	-178.8	-179.6	0	0	0	0	112.3	G304 S305 L311 G312 R313 Q321	G304-S308 WeakPolarHBondContact O-CB 3.09Å; G304-S308 PolarHBondContact O-N 3.27Å; S305-S308 PolarHBondContact O-N 2.68Å; S308-L311 PolarHBondContact O-N 2.86Å; S308-G312 PolarHBondContact O-N 3.14Å; S308-R313 WeakPolarHBondContact O-CB 3.46Å; S308-R313 PolarHBondContact O-N 3.09Å; S308-R313 VanDerWaalsContact O-N 3.13Å; S308-R313 WeakPolarHBondContact OG-CB 3.37Å; S308-R313 WeakPolarHBondContact OG-CD 3.33Å; S308-Q321 WeakPolarHBondContact OG-CB 3.37Å
309	A	93.7	Very high	92.9	Very high	70 Å²	70	49.7 Å²	49.7	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-44.6	175.1	0	0	0	0	0	111.6	S305 E306 V307 L311 G312	S305-A309 PolarHBondContact O-N 2.76Å; E306-A309 PolarHBondContact O-N 2.91Å; V307-A309 VanDerWaalsContact C-N 3.31Å; V307-A309 PolarHBondContact O-N 2.87Å; A309-L311 VanDerWaalsContact C-N 3.31Å; A309-L311 PolarHBondContact O-N 3.1Å; A309-G312 PolarHBondContact O-N 3.31Å; A309-G312 VanDerWaalsContact O-N 3.07Å
310	L	91.9	Very high	93.1	Very high	62 Å²	62	48.6 Å²	48.6	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-30.9	177.6	-66.1	173.2	0	0	0	113	A58 V59 E306 V307 G312	A58-L310 HydrophobicContact CB-CD1 4.06Å; V59-L310 HydrophobicContact CG2-CB 3.5Å; V59-L310 VanDerWaalsContact CG2-CB 3.5Å; V59-L310 HydrophobicContact CG2-CD1 4.37Å; E306-L310 WeakPolarHBondContact O-CG 3.46Å; E306-L310 PolarHBondContact O-N 3.28Å; E306-L310 VanDerWaalsContact O-N 3.16Å; V307-L310 PolarHBondContact O-N 2.81Å; V307-L310 VanDerWaalsContact O-N 3.17Å; L310-G312 PolarHBondContact O-N 2.99Å
311	L	92.5	Very high	93.1	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.4	174.1	-68.9	177.2	0	0	0	113.1	V59 A89 R98 I100 V307 S308 A309 R313	V59-L311 HydrophobicContact CG2-CD2 4.21Å; A89-L311 HydrophobicContact CB-CD1 4.22Å; A89-L311 HydrophobicContact CB-CD2 4.04Å; R98-L311 VanDerWaalsContact CD-CD2 3.46Å; R98-L311 HydrophobicContact CG-CD2 3.69Å; R98-L311 PolarHBondContact NH1-O 3.04Å; I100-L311 HydrophobicContact CD1-CD1 4.5Å; I100-L311 HydrophobicContact CG1-CD2 4.45Å; V307-L311 HydrophobicContact CG1-CD1 3.89Å; V307-L311 HydrophobicContact CG1-CG 4.21Å; V307-L311 WeakPolarHBondContact O-CG 3.37Å; V307-L311 PolarHBondContact O-N 2.97Å; S308-L311 PolarHBondContact O-N 2.86Å; A309-L311 VanDerWaalsContact C-N 3.31Å; A309-L311 PolarHBondContact O-N 3.1Å; L311-R313 HydrophobicContact CB-CG 4.37Å
312	G	90.6	Very high	93.2	Very high	62 Å²	62	51.6 Å²	51.6	64%	0.639	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	21.2	-179.1	0	0	0	0	0	113.8	S308 A309 L310	S308-G312 PolarHBondContact O-N 3.14Å; A309-G312 PolarHBondContact O-N 3.31Å; A309-G312 VanDerWaalsContact O-N 3.07Å; L310-G312 PolarHBondContact O-N 2.99Å
313	R	92.9	Very high	93.2	Very high	87 Å²	87	50.3 Å²	50.3	33%	0.328	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-75.3	143.1	174.6	-63.1	176.8	179.6	174.8	0.8	109.6	S308 L311 P322 T323	S308-R313 WeakPolarHBondContact O-CB 3.46Å; S308-R313 PolarHBondContact O-N 3.09Å; S308-R313 VanDerWaalsContact O-N 3.13Å; S308-R313 WeakPolarHBondContact OG-CB 3.37Å; S308-R313 WeakPolarHBondContact OG-CD 3.33Å; L311-R313 HydrophobicContact CB-CG 4.37Å; R313-P322 HydrophobicContact CB-CG 4.29Å; R313-T323 PolarHBondContact NH1-OG1 3.46Å
314	I	95	Very high	93.2	Very high	145 Å²	145	50.9 Å²	50.9	74%	0.744	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-67.3	126.8	174.3	-61.9	174.2	0	0	0	108.3	P322	I314-P322 WeakPolarHBondContact O-CD 3.31Å
315	P	94.2	Very high	93.2	Very high	86 Å²	86	53.3 Å²	53.3	56%	0.558	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-68.4	151.5	178.7	28.1	-34.2	0	0	0	111.7
316	S	93.7	Very high	93.1	Very high	72 Å²	72	55.9 Å²	55.9	50%	0.503	36%	0.361	S	S	.	.			trans	-92.8	-163.2	174.2	-165.1	0	0	0	0	111	V318 G319 Y320	S316-V318 PolarHBondContact O-N 3.2Å; S316-G319 PolarHBondContact O-N 3.42Å; S316-G319 VanDerWaalsContact O-N 3.11Å; S316-Y320 PolarHBondContact N-O 2.98Å
317	A	88.4	Confident	93	Very high	59 Å²	59	55.6 Å²	55.6	49%	0.488	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-48.5	136.5	175.9	0	0	0	0	0	111.8	G319 Y320 P359	A317-G319 PolarHBondContact O-N 3.15Å; A317-Y320 WeakPolarHBondContact O-CD2 3.45Å; A317-Y320 PolarHBondContact O-N 3.18Å; A317-P359 HydrophobicContact CB-CG 4.25Å
318	V	89.6	Confident	93	Very high	115 Å²	115	55.1 Å²	55.1	70%	0.697	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	59.5	9.7	177.9	-162	0	0	0	0	113.9	S316 Y320 P359	S316-V318 PolarHBondContact O-N 3.2Å; V318-Y320 HydrophobicContact CB-CD2 4.08Å; V318-Y320 HydrophobicContact CB-CE2 4.01Å; V318-Y320 HydrophobicContact CG1-CE2 4.21Å; V318-P359 HydrophobicContact CG2-CG 4.15Å
319	G	91.6	Very high	93	Very high	38 Å²	38	55.6 Å²	55.6	39%	0.392	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	91.1	6	178.5	0	0	0	0	0	115	S305 S316 A317	S305-G319 PolarHBondContact OG-O 3.32Å; S316-G319 PolarHBondContact O-N 3.42Å; S316-G319 VanDerWaalsContact O-N 3.11Å; A317-G319 PolarHBondContact O-N 3.15Å
320	Y	94.9	Very high	92.9	Very high	21 Å²	21	56.1 Å²	56.1	8%	0.082	36%	0.36	C	S	.	.			trans	-71.7	163.2	175.4	-67.9	-71.2	0	0	0	112.6	F298 T301 S316 A317 V318 L324 D358 P359 A360	F298-Y320 WeakPolarHBondContact CE2-OH 3.4Å; T301-Y320 HydrophobicContact CG2-CD1 3.73Å; T301-Y320 HydrophobicContact CG2-CE1 3.77Å; S316-Y320 PolarHBondContact N-O 2.98Å; A317-Y320 WeakPolarHBondContact O-CD2 3.45Å; A317-Y320 PolarHBondContact O-N 3.18Å; V318-Y320 HydrophobicContact CB-CD2 4.08Å; V318-Y320 HydrophobicContact CB-CE2 4.01Å; V318-Y320 HydrophobicContact CG1-CE2 4.21Å; Y320-L324 HydrophobicContact CG-CD2 4.22Å; Y320-D358 VanDerWaalsContact CE2-OD1 3.24Å; Y320-D358 WeakPolarHBondContact CE2-OD1 3.28Å; Y320-D358 WeakPolarHBondContact CE2-OD2 3.32Å; Y320-D358 VanDerWaalsContact CZ-OD1 3.3Å; Y320-D358 VanDerWaalsContact OH-CG 3.24Å; Y320-D358 PolarHBondContact OH-OD1 2.76Å; Y320-D358 PolarHBondContact OH-OD2 3.46Å; Y320-P359 HydrophobicContact CD2-CB 3.94Å; Y320-P359 HydrophobicContact CD2-CG 4Å; Y320-P359 HydrophobicContact CE2-CB 4.27Å; Y320-P359 HydrophobicContact CE2-CG 4.25Å; Y320-A360 HydrophobicContact CE1-CB 3.91Å; Y320-A360 HydrophobicContact CE2-CB 4.4Å
321	Q	94.4	Very high	93	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.014	34%	0.344	C	S	.	.			trans	-63.8	144.6	175	68.9	-82.6	26.4	0	0	111.5	S308 T323 L324	S308-Q321 WeakPolarHBondContact OG-CB 3.37Å; Q321-T323 PolarHBondContact O-N 3.07Å; Q321-L324 HydrophobicContact CG-CB 4.18Å; Q321-L324 WeakPolarHBondContact O-CB 3.44Å; Q321-L324 PolarHBondContact O-N 3.34Å
322	P	94.8	Very high	93.1	Very high	73 Å²	73	52.9 Å²	52.9	47%	0.474	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.4	175.6	27.9	-34.7	0	0	0	112.7	R313 I314	R313-P322 HydrophobicContact CB-CG 4.29Å; I314-P322 WeakPolarHBondContact O-CD 3.31Å
323	T	94.1	Very high	93.3	Very high	35 Å²	35	53.6 Å²	53.6	22%	0.215	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	13.8	177.7	55.2	0	0	0	0	113.6	R313 Q321 A325 T326 D327	R313-T323 PolarHBondContact NH1-OG1 3.46Å; Q321-T323 PolarHBondContact O-N 3.07Å; T323-A325 VanDerWaalsContact C-N 3.33Å; T323-A325 PolarHBondContact O-N 3.3Å; T323-T326 WeakPolarHBondContact CB-OG1 3.42Å; T323-T326 PolarHBondContact O-N 2.91Å; T323-T326 VanDerWaalsContact O-N 3.12Å; T323-T326 PolarHBondContact O-OG1 2.94Å; T323-D327 WeakPolarHBondContact CB-OD2 3.32Å; T323-D327 WeakPolarHBondContact O-CB 3.46Å; T323-D327 PolarHBondContact O-N 2.97Å; T323-D327 PolarHBondContact OG1-OD2 3.05Å
324	L	93.6	Very high	93.4	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-54	-49	-172.4	173.1	60.2	0	0	0	112.4	T301 Y320 Q321 T326 M328 P359	T301-L324 HydrophobicContact CG2-CD1 3.34Å; Y320-L324 HydrophobicContact CG-CD2 4.22Å; Q321-L324 HydrophobicContact CG-CB 4.18Å; Q321-L324 WeakPolarHBondContact O-CB 3.44Å; Q321-L324 PolarHBondContact O-N 3.34Å; L324-T326 PolarHBondContact O-N 3.16Å; L324-M328 VanDerWaalsContact O-CB 3.29Å; L324-M328 WeakPolarHBondContact O-CB 3.39Å; L324-M328 PolarHBondContact O-N 3.13Å; L324-P359 HydrophobicContact CD2-CB 3.89Å
325	A	93.8	Very high	93.4	Very high	64 Å²	64	42.7 Å²	42.7	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-38.7	-179	0	0	0	0	0	112.7	T323 G329 T363	T323-A325 VanDerWaalsContact C-N 3.33Å; T323-A325 PolarHBondContact O-N 3.3Å; A325-G329 PolarHBondContact O-N 3.34Å; A325-T363 HydrophobicContact CB-CG2 4.35Å
326	T	93.3	Very high	93.3	Very high	85 Å²	85	40 Å²	40	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-72.6	-44	179.1	51.7	0	0	0	0	111.4	T323 L324 M328 G329 T330	T323-T326 WeakPolarHBondContact CB-OG1 3.42Å; T323-T326 PolarHBondContact O-N 2.91Å; T323-T326 VanDerWaalsContact O-N 3.12Å; T323-T326 PolarHBondContact O-OG1 2.94Å; L324-T326 PolarHBondContact O-N 3.16Å; T326-M328 VanDerWaalsContact C-N 3.33Å; T326-M328 PolarHBondContact O-N 3.2Å; T326-G329 PolarHBondContact O-N 2.83Å; T326-T330 PolarHBondContact O-N 3.05Å; T326-T330 PolarHBondContact O-OG1 3.28Å; T326-T330 VanDerWaalsContact O-OG1 3.06Å
327	D	92.4	Very high	93.2	Very high	57 Å²	57	37.8 Å²	37.8	31%	0.305	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-40.8	-179.5	-61.5	-21.1	0	0	0	110.8	T323	T323-D327 WeakPolarHBondContact CB-OD2 3.32Å; T323-D327 WeakPolarHBondContact O-CB 3.46Å; T323-D327 PolarHBondContact O-N 2.97Å; T323-D327 PolarHBondContact OG1-OD2 3.05Å
328	M	93	Very high	93.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-48.1	172.9	-171.6	60.1	69.1	0	0	111	I297 F300 T301 L324 T326 T330 M331 Q332 T363	I297-M328 HydrophobicContact CD1-CE 4.24Å; I297-M328 HydrophobicContact CD1-SD 4.11Å; I297-M328 HydrophobicContact CG1-CE 3.98Å; I297-M328 HydrophobicContact CG1-SD 4.07Å; F300-M328 HydrophobicContact CD1-CE 4.26Å; T301-M328 WeakPolarHBondContact OG1-CE 3.49Å; L324-M328 VanDerWaalsContact O-CB 3.29Å; L324-M328 WeakPolarHBondContact O-CB 3.39Å; L324-M328 PolarHBondContact O-N 3.13Å; T326-M328 VanDerWaalsContact C-N 3.33Å; T326-M328 PolarHBondContact O-N 3.2Å; M328-T330 PolarHBondContact O-N 3.19Å; M328-M331 PolarHBondContact O-N 2.73Å; M328-M331 HydrophobicContact SD-CE 4.06Å; M328-Q332 HydrophobicContact CG-CG 3.87Å; M328-Q332 WeakPolarHBondContact O-CB 3.23Å; M328-Q332 VanDerWaalsContact O-CG 3.22Å; M328-Q332 WeakPolarHBondContact O-CG 3.46Å; M328-Q332 PolarHBondContact O-N 3.33Å; M328-Q332 HydrophobicContact SD-CG 3.72Å; M328-Q332 PolarHBondContact SD-NE2 2.89Å; M328-Q332 VanDerWaalsContact SD-NE2 3.45Å; M328-T363 HydrophobicContact CB-CG2 4.12Å; M328-T363 HydrophobicContact CG-CG2 4.21Å
329	G	94.1	Very high	93.4	Very high	14 Å²	14	37.1 Å²	37.1	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-47.5	-178.8	0	0	0	0	0	113.1	A325 T326 M331 Q332 E333	A325-G329 PolarHBondContact O-N 3.34Å; T326-G329 PolarHBondContact O-N 2.83Å; G329-M331 PolarHBondContact O-N 3.09Å; G329-Q332 PolarHBondContact O-N 3.37Å; G329-E333 WeakPolarHBondContact O-CB 3.42Å; G329-E333 VanDerWaalsContact O-CG 3.26Å; G329-E333 WeakPolarHBondContact O-CG 3.33Å; G329-E333 PolarHBondContact O-N 3.4Å
330	T	92.2	Very high	93.4	Very high	80 Å²	80	41.4 Å²	41.4	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-34.5	179.8	-58.7	0	0	0	0	112.3	T326 M328 R334	T326-T330 PolarHBondContact O-N 3.05Å; T326-T330 PolarHBondContact O-OG1 3.28Å; T326-T330 VanDerWaalsContact O-OG1 3.06Å; M328-T330 PolarHBondContact O-N 3.19Å; T330-R334 WeakPolarHBondContact O-CD 3.29Å; T330-R334 WeakPolarHBondContact O-CG 3.22Å
331	M	94	Very high	93.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-77.8	-49.3	176	-172.9	-78.3	-67.9	0	0	111.5	L273 L276 I294 I297 F300 M328 G329 E333 R334 I335	L273-M331 HydrophobicContact CD2-CB 3.96Å; L273-M331 HydrophobicContact CD2-CG 3.66Å; L276-M331 HydrophobicContact CD2-CG 4.08Å; L276-M331 HydrophobicContact CD2-SD 4.29Å; I294-M331 HydrophobicContact CD1-CE 4.39Å; I294-M331 HydrophobicContact CD1-SD 4.14Å; I297-M331 HydrophobicContact CD1-CE 3.17Å; I297-M331 HydrophobicContact CG1-CE 4.27Å; F300-M331 HydrophobicContact CZ-CB 4.46Å; M328-M331 PolarHBondContact O-N 2.73Å; M328-M331 HydrophobicContact SD-CE 4.06Å; G329-M331 PolarHBondContact O-N 3.09Å; M331-E333 PolarHBondContact O-N 2.91Å; M331-R334 WeakPolarHBondContact O-CB 3.41Å; M331-R334 PolarHBondContact O-N 3.09Å; M331-I335 HydrophobicContact SD-CD1 3.74Å
332	Q	95.2	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-39.1	-176.4	-67.2	-69.4	-4.1	0	0	112.1	K190 M328 G329 R334 I335 H367	K190-Q332 WeakPolarHBondContact CE-O 3.47Å; K190-Q332 PolarHBondContact NZ-O 2.71Å; M328-Q332 HydrophobicContact CG-CG 3.87Å; M328-Q332 WeakPolarHBondContact O-CB 3.23Å; M328-Q332 VanDerWaalsContact O-CG 3.22Å; M328-Q332 WeakPolarHBondContact O-CG 3.46Å; M328-Q332 PolarHBondContact O-N 3.33Å; M328-Q332 HydrophobicContact SD-CG 3.72Å; M328-Q332 PolarHBondContact SD-NE2 2.89Å; M328-Q332 VanDerWaalsContact SD-NE2 3.45Å; G329-Q332 PolarHBondContact O-N 3.37Å; Q332-R334 PolarHBondContact O-N 3.08Å; Q332-I335 WeakPolarHBondContact O-CB 3.27Å; Q332-I335 PolarHBondContact O-N 3.07Å; Q332-H367 HydrophobicContact CB-CB 4.06Å; Q332-H367 HydrophobicContact CG-CB 4.05Å
333	E	94.2	Very high	93.1	Very high	77 Å²	77	37.1 Å²	37.1	36%	0.36	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	-177.6	-65.1	-50.5	118.3	0	0	113.7	A159 K190 G329 M331 I335 H367	A159-E333 HydrophobicContact CB-CB 3.9Å; K190-E333 IonicContact NZ-OE1 2.66Å; K190-E333 PolarHBondContact NZ-OE1 3.36Å; G329-E333 WeakPolarHBondContact O-CB 3.42Å; G329-E333 VanDerWaalsContact O-CG 3.26Å; G329-E333 WeakPolarHBondContact O-CG 3.33Å; G329-E333 PolarHBondContact O-N 3.4Å; M331-E333 PolarHBondContact O-N 2.91Å; E333-I335 VanDerWaalsContact C-N 3.31Å; E333-H367 IonicContact OE1-CE1 3.48Å; E333-H367 IonicContact OE1-ND1 3.69Å; E333-H367 PolarHBondContact OE1-ND1 3.49Å
334	R	95.1	Very high	93.1	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.3	169.3	-75.9	167.2	67.4	179.6	0.3	112.5	I155 A157 A159 L276 T277 E280 R283 T330 M331 Q332 T336	I155-R334 PolarHBondContact O-NH1 2.9Å; I155-R334 PolarHBondContact O-NH2 3.41Å; A157-R334 WeakPolarHBondContact O-CD 3.35Å; A159-R334 HydrophobicContact CB-CG 4.32Å; L276-R334 HydrophobicContact CD1-CB 4.48Å; L276-R334 HydrophobicContact CD2-CB 3.61Å; L276-R334 HydrophobicContact CD2-CG 4.41Å; L276-R334 HydrophobicContact CG-CB 4.28Å; T277-R334 PolarHBondContact OG1-NH2 2.85Å; T277-R334 VanDerWaalsContact OG1-NH2 3.12Å; E280-R334 IonicContact OE1-NE 2.82Å; E280-R334 IonicContact OE2-CZ 3.64Å; E280-R334 VanDerWaalsContact OE2-CZ 3.31Å; E280-R334 IonicContact OE2-NE 3.77Å; E280-R334 PolarHBondContact OE2-NE 3.13Å; E280-R334 VanDerWaalsContact OE2-NE 3.12Å; E280-R334 IonicContact OE2-NH2 3.68Å; E280-R334 PolarHBondContact OE2-NH2 3.05Å; R283-R334 PolarHBondContact NH1-O 3.39Å; T330-R334 WeakPolarHBondContact O-CD 3.29Å; T330-R334 WeakPolarHBondContact O-CG 3.22Å; M331-R334 WeakPolarHBondContact O-CB 3.41Å; M331-R334 PolarHBondContact O-N 3.09Å; Q332-R334 PolarHBondContact O-N 3.08Å; R334-T336 PolarHBondContact O-N 3.29Å
335	I	94.7	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-83.1	98	174.5	-57.6	169.5	0	0	0	107.9	K190 L276 L292 I294 M331 Q332 E333 I343	K190-I335 WeakPolarHBondContact CE-O 3.46Å; K190-I335 HydrophobicContact CG-CB 4.48Å; K190-I335 HydrophobicContact CG-CG2 4Å; L276-I335 HydrophobicContact CD1-CG1 3.59Å; L276-I335 HydrophobicContact CD2-CG1 4.28Å; L292-I335 HydrophobicContact CD2-CD1 3.97Å; L292-I335 HydrophobicContact CD2-CG1 4.08Å; I294-I335 HydrophobicContact CD1-CD1 4.01Å; M331-I335 HydrophobicContact SD-CD1 3.74Å; Q332-I335 WeakPolarHBondContact O-CB 3.27Å; Q332-I335 PolarHBondContact O-N 3.07Å; E333-I335 VanDerWaalsContact C-N 3.31Å; I335-I343 HydrophobicContact CG2-CB 4.44Å; I335-I343 HydrophobicContact CG2-CG2 4.01Å
336	T	92.4	Very high	93.1	Very high	30 Å²	30	32.2 Å²	32.2	18%	0.184	17%	0.17	C	C	.	.	S	Bend	trans	-162.1	167.7	-179.6	-171.5	0	0	0	0	111.2	P160 R334	P160-T336 HydrophobicContact CB-CG2 4.27Å; P160-T336 HydrophobicContact CG-CG2 3.65Å; R334-T336 PolarHBondContact O-N 3.29Å
337	T	92.1	Very high	93.1	Very high	25 Å²	25	28.1 Å²	28.1	15%	0.153	15%	0.145	C	C	.	.			trans	-82.6	126.5	170	-57.7	0	0	0	0	110.9	S166 K187 G188 S342	S166-T337 PolarHBondContact N-O 3.1Å; S166-T337 VanDerWaalsContact N-O 3.11Å; K187-T337 PolarHBondContact O-OG1 2.99Å; G188-T337 VanDerWaalsContact CA-OG1 3.27Å; G188-T337 WeakPolarHBondContact CA-OG1 3.49Å; T337-S342 WeakPolarHBondContact OG1-CB 3.37Å
338	T	92.5	Very high	92.9	Very high	10 Å²	10	25.5 Å²	25.5	6%	0.061	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-107.5	173.5	170.6	68	0	0	0	0	110	P160 D164 K340 G341	P160-T338 HydrophobicContact CB-CG2 4.06Å; P160-T338 HydrophobicContact CG-CG2 3.94Å; D164-T338 CarbonylContact O-C 3.59Å; D164-T338 VanDerWaalsContact O-CA 3.25Å; D164-T338 WeakPolarHBondContact O-CA 3Å; T338-K340 PolarHBondContact O-N 2.89Å; T338-K340 VanDerWaalsContact O-N 3.14Å; T338-K340 PolarHBondContact OG1-N 3.1Å; T338-G341 PolarHBondContact N-O 2.89Å; T338-G341 PolarHBondContact O-N 2.98Å; T338-G341 PolarHBondContact OG1-N 3.23Å; T338-G341 PolarHBondContact OG1-O 3.21Å; T338-G341 VanDerWaalsContact OG1-O 3.05Å
339	K	89.4	Confident	92.6	Very high	150 Å²	150	25.7 Å²	25.7	65%	0.652	13%	0.132	S	C	*	.	S	Bend	trans	-60.4	-18.7	171.8	-65.6	173.9	-172.2	159.9	0	114.8	T163 D164	T163-K339 WeakPolarHBondContact O-CE 3.45Å; T163-K339 PolarHBondContact O-NZ 2.96Å; D164-K339 PolarHBondContact O-N 3.02Å
340	K	90.5	Very high	92.1	Very high	128 Å²	128	30 Å²	30	56%	0.557	15%	0.145	S	C	*	.	S	Bend	trans	-92.8	-32.6	-176.4	-67.1	-175.4	173.6	-176.5	0	113.4	D284 G287 T338	D284-K340 WeakPolarHBondContact O-CD 3.14Å; D284-K340 PolarHBondContact O-NZ 3.1Å; G287-K340 CarbonylContact C-O 3.56Å; G287-K340 VanDerWaalsContact CA-O 3.24Å; G287-K340 WeakPolarHBondContact CA-O 3.25Å; T338-K340 PolarHBondContact O-N 2.89Å; T338-K340 VanDerWaalsContact O-N 3.14Å; T338-K340 PolarHBondContact OG1-N 3.1Å
341	G	90.9	Very high	91.4	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	13%	0.127	C	C	.	.			trans	178	177.2	-173.5	0	0	0	0	0	110.8	R283 T338	R283-G341 WeakPolarHBondContact CG-O 3.38Å; T338-G341 PolarHBondContact N-O 2.89Å; T338-G341 PolarHBondContact O-N 2.98Å; T338-G341 PolarHBondContact OG1-N 3.23Å; T338-G341 PolarHBondContact OG1-O 3.21Å; T338-G341 VanDerWaalsContact OG1-O 3.05Å
342	S	92.3	Very high	90.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.			trans	-123	149	-177.4	69.9	0	0	0	0	112.8	Q288 D289 V290 T337	Q288-S342 PolarHBondContact O-N 2.95Å; D289-S342 WeakPolarHBondContact CA-O 3.49Å; D289-S342 VanDerWaalsContact CG-OG 3.32Å; D289-S342 WeakPolarHBondContact OD1-CB 3.23Å; D289-S342 PolarHBondContact OD1-N 3Å; D289-S342 PolarHBondContact OD1-OG 3.33Å; V290-S342 PolarHBondContact N-O 3.42Å; T337-S342 WeakPolarHBondContact OG1-CB 3.37Å
343	I	94.6	Very high	89.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.6	165.3	-62.3	167.7	0	0	0	107	G188 L276 A279 E280 R283 V290 L292 I335	G188-I343 CarbonylContact C-O 3.56Å; G188-I343 VanDerWaalsContact CA-O 3.27Å; G188-I343 WeakPolarHBondContact CA-O 3.13Å; L276-I343 HydrophobicContact CD1-CD1 4.34Å; A279-I343 HydrophobicContact CB-CD1 4.14Å; A279-I343 HydrophobicContact CB-CG1 4.44Å; A279-I343 HydrophobicContact CB-CG2 4.41Å; E280-I343 HydrophobicContact CB-CD1 4.49Å; E280-I343 HydrophobicContact CG-CD1 3.77Å; R283-I343 HydrophobicContact CB-CD1 4.08Å; R283-I343 HydrophobicContact CB-CG1 3.91Å; R283-I343 HydrophobicContact CG-CG1 4.22Å; V290-I343 HydrophobicContact CB-CG1 4.35Å; V290-I343 CarbonylContact O-C 3.58Å; V290-I343 WeakPolarHBondContact O-CA 3.41Å; L292-I343 HydrophobicContact CB-CG2 3.72Å; L292-I343 HydrophobicContact CD2-CG2 4.27Å; I335-I343 HydrophobicContact CG2-CB 4.44Å; I335-I343 HydrophobicContact CG2-CG2 4.01Å
344	T	93.8	Very high	88.6	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.9	172.4	-48	0	0	0	0	107.8	L172 G188 I191 V290 L291 L292	L172-T344 HydrophobicContact CD2-CG2 3.79Å; G188-T344 WeakPolarHBondContact CA-OG1 3.44Å; G188-T344 PolarHBondContact N-OG1 2.88Å; I191-T344 HydrophobicContact CD1-CG2 3.45Å; I191-T344 VanDerWaalsContact CD1-CG2 3.45Å; V290-T344 PolarHBondContact O-N 3.19Å; L291-T344 WeakPolarHBondContact CA-O 3.43Å; L291-T344 HydrophobicContact CD2-CG2 4.33Å; L292-T344 PolarHBondContact N-O 3.4Å
345	S	94.8	Very high	87.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.4	-177.7	72	0	0	0	0	112.5	G189 I191 L292 Q347	G189-S345 PolarHBondContact O-N 2.79Å; I191-S345 VanDerWaalsContact CD1-O 3.25Å; I191-S345 WeakPolarHBondContact CD1-O 3.34Å; I191-S345 PolarHBondContact N-O 2.8Å; L292-S345 CarbonylContact O-C 3.59Å; L292-S345 WeakPolarHBondContact O-CA 3.44Å; S345-Q347 PolarHBondContact OG-NE2 3.43Å
346	V	93.6	Very high	86.8	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110	172	-177.9	0	0	0	0	107.9	I191 L193 L208 L292 F293 I294	I191-V346 HydrophobicContact CB-CG2 4.39Å; I191-V346 HydrophobicContact CD1-CG2 4.33Å; L193-V346 HydrophobicContact CD1-CG1 3.32Å; L193-V346 HydrophobicContact CD2-CG1 4.21Å; L193-V346 HydrophobicContact CG-CG1 3.52Å; L208-V346 HydrophobicContact CD1-CG1 4.23Å; L208-V346 HydrophobicContact CD1-CG2 4.33Å; L292-V346 PolarHBondContact O-N 2.97Å; F293-V346 VanDerWaalsContact CA-O 3.32Å; F293-V346 WeakPolarHBondContact CA-O 3.48Å; F293-V346 HydrophobicContact CD1-CB 3.64Å; F293-V346 HydrophobicContact CD1-CG1 4.06Å; F293-V346 HydrophobicContact CD1-CG2 4.34Å; F293-V346 HydrophobicContact CE1-CB 3.65Å; F293-V346 HydrophobicContact CE1-CG1 4.02Å; F293-V346 HydrophobicContact CE1-CG2 3.88Å; F293-V346 HydrophobicContact CZ-CG2 4.45Å; I294-V346 PolarHBondContact N-O 3.48Å
347	Q	93.4	Very high	86.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.7	-168.2	-51.4	-177.7	18.7	0	0	109.2	I191 G192 L193 I294 I297 S345 I349	I191-Q347 PolarHBondContact O-N 3.38Å; G192-Q347 CarbonylContact C-O 3.6Å; G192-Q347 WeakPolarHBondContact CA-O 3.23Å; L193-Q347 PolarHBondContact N-O 3.23Å; I294-Q347 HydrophobicContact CB-CB 4.43Å; I294-Q347 HydrophobicContact CB-CG 4.21Å; I294-Q347 HydrophobicContact CD1-CG 4.22Å; I294-Q347 HydrophobicContact CG1-CG 4.38Å; I294-Q347 CarbonylContact O-C 3.34Å; I294-Q347 WeakPolarHBondContact O-CA 3.31Å; I297-Q347 HydrophobicContact CG2-CB 4.43Å; S345-Q347 PolarHBondContact OG-NE2 3.43Å; Q347-I349 PolarHBondContact O-N 2.98Å
348	A	88.9	Confident	86.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.3	170.7	0	0	0	0	0	108.9	L193 I294 D295 N296 I297	L193-A348 WeakPolarHBondContact O-CA 3.23Å; I294-A348 PolarHBondContact O-N 3.29Å; D295-A348 HydrophobicContact CB-CB 4.23Å; D295-A348 WeakPolarHBondContact OD1-CB 3.46Å; N296-A348 PolarHBondContact ND2-O 3.25Å; N296-A348 PolarHBondContact OD1-O 2.94Å; I297-A348 PolarHBondContact N-O 3.4Å; I297-A348 VanDerWaalsContact N-O 3.09Å
349	I	86.4	Confident	86.1	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.1	-179	-63.8	159.7	0	0	0	108.8	L193 F194 I297 Q347 V351 T364 L368	L193-I349 PolarHBondContact O-N 2.67Å; F194-I349 HydrophobicContact CD1-CB 3.96Å; F194-I349 HydrophobicContact CD1-CG2 4.04Å; F194-I349 HydrophobicContact CE1-CB 3.63Å; F194-I349 HydrophobicContact CE1-CD1 3.73Å; F194-I349 HydrophobicContact CE1-CG1 4.28Å; F194-I349 HydrophobicContact CE1-CG2 3.51Å; F194-I349 HydrophobicContact CE2-CD1 3.99Å; F194-I349 HydrophobicContact CZ-CB 4.12Å; F194-I349 HydrophobicContact CZ-CD1 3.3Å; F194-I349 HydrophobicContact CZ-CG1 4.29Å; F194-I349 HydrophobicContact CZ-CG2 4.28Å; I297-I349 HydrophobicContact CG2-CB 4.34Å; I297-I349 HydrophobicContact CG2-CD1 4.42Å; I297-I349 HydrophobicContact CG2-CG1 3.4Å; I297-I349 VanDerWaalsContact CG2-CG1 3.4Å; Q347-I349 PolarHBondContact O-N 2.98Å; I349-V351 HydrophobicContact CG2-CG2 4.48Å; I349-T364 HydrophobicContact CD1-CG2 3.75Å; I349-T364 HydrophobicContact CG1-CG2 4.23Å; I349-L368 HydrophobicContact CD1-CD1 3.62Å; I349-L368 HydrophobicContact CD1-CD2 4.45Å
350	Y	82.6	Confident	86.1	Confident	106 Å²	106	41.5 Å²	41.5	42%	0.416	23%	0.231	S	C	.	.			trans	-85.8	122.9	167.4	178.6	-104.6	0	0	0	109.5	N296 F298 P352	N296-Y350 PolarHBondContact ND2-N 2.68Å; N296-Y350 PolarHBondContact OD1-N 2.77Å; N296-Y350 VanDerWaalsContact OD1-N 3.09Å; F298-Y350 AromaticContact CD1-CD1 3.65Å; F298-Y350 HydrophobicContact CD1-CD1 3.65Å; F298-Y350 HydrophobicContact CD1-CG 4.4Å; F298-Y350 AromaticContact CE1-CD1 3.78Å; F298-Y350 HydrophobicContact CE1-CD1 3.78Å; F298-Y350 HydrophobicContact CE1-CE1 4.29Å; F298-Y350 HydrophobicContact CG-CD1 4.1Å; F298-Y350 HydrophobicContact CZ-CD1 4.35Å; Y350-P352 HydrophobicContact CE1-CB 4.11Å; Y350-P352 WeakPolarHBondContact O-CD 3.45Å
351	V	78.4	Confident	85.9	Confident	20 Å²	20	35.4 Å²	35.4	12%	0.121	21%	0.205	C	C	.	.			trans	-94.6	111.1	173.3	-174.4	0	0	0	0	107.5	F194 I349 A353 D354 D355 L356 P361	F194-V351 HydrophobicContact CD1-CG2 3.82Å; F194-V351 HydrophobicContact CE1-CG2 4.23Å; I349-V351 HydrophobicContact CG2-CG2 4.48Å; V351-A353 PolarHBondContact O-N 3.12Å; V351-D354 PolarHBondContact O-N 3.45Å; V351-D355 VanDerWaalsContact CG1-C 3.46Å; V351-D355 WeakPolarHBondContact CG1-O 3.29Å; V351-L356 HydrophobicContact CG1-CD2 3.97Å; V351-L356 HydrophobicContact CG2-CD2 3.95Å; V351-P361 HydrophobicContact CG1-CG 4.38Å
352	P	74.9	Confident	85.7	Confident	24 Å²	24	37.2 Å²	37.2	16%	0.156	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.5	129.5	-179.7	26.9	-32.4	0	0	0	110	F298 Y350 D354 D355 D358	F298-P352 HydrophobicContact CE2-CB 4.36Å; F298-P352 HydrophobicContact CE2-CG 3.8Å; F298-P352 HydrophobicContact CZ-CB 4.18Å; F298-P352 HydrophobicContact CZ-CG 4.11Å; Y350-P352 HydrophobicContact CE1-CB 4.11Å; Y350-P352 WeakPolarHBondContact O-CD 3.45Å; P352-D354 PolarHBondContact O-N 2.86Å; P352-D355 PolarHBondContact O-N 3.43Å; P352-D358 HydrophobicContact CG-CB 3.95Å
353	A	76.9	Confident	85.6	Confident	92 Å²	92	38.8 Å²	38.8	76%	0.76	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	52.9	26	-180	0	0	0	0	0	114.8	V351 D355	V351-A353 PolarHBondContact O-N 3.12Å; A353-D355 PolarHBondContact O-N 3.2Å; A353-D355 VanDerWaalsContact O-N 3.16Å
354	D	72	Confident	85.3	Confident	151 Å²	151	38.9 Å²	38.9	81%	0.807	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	56.2	23.2	-174.7	-56.5	-47	0	0	0	113.8	V351 P352	V351-D354 PolarHBondContact O-N 3.45Å; P352-D354 PolarHBondContact O-N 2.86Å
355	D	76.7	Confident	85	Confident	70 Å²	70	41.9 Å²	41.9	37%	0.374	24%	0.242	S	C	.	.			trans	-94.4	102	178	-173.9	3.7	0	0	0	112.1	V351 P352 A353 T357 D358	V351-D355 VanDerWaalsContact CG1-C 3.46Å; V351-D355 WeakPolarHBondContact CG1-O 3.29Å; P352-D355 PolarHBondContact O-N 3.43Å; A353-D355 PolarHBondContact O-N 3.2Å; A353-D355 VanDerWaalsContact O-N 3.16Å; D355-T357 PolarHBondContact O-N 2.94Å; D355-T357 WeakPolarHBondContact OD1-CA 3.44Å; D355-T357 WeakPolarHBondContact OD1-CB 3.47Å; D355-T357 PolarHBondContact OD1-N 3.49Å; D355-T357 PolarHBondContact OD1-OG1 3.4Å; D355-T357 PolarHBondContact OD2-OG1 3.42Å; D355-D358 WeakPolarHBondContact O-CB 3.37Å; D355-D358 PolarHBondContact O-N 3.01Å
356	L	76.3	Confident	84.7	Confident	102 Å²	102	46.1 Å²	46.1	53%	0.534	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.3	176.1	-63.2	176.2	0	0	0	113.5	V351 D358 F365	V351-L356 HydrophobicContact CG1-CD2 3.97Å; V351-L356 HydrophobicContact CG2-CD2 3.95Å; L356-D358 VanDerWaalsContact C-N 3.34Å; L356-F365 HydrophobicContact CD2-CE2 3.9Å; L356-F365 HydrophobicContact CD2-CZ 3.76Å
357	T	85.2	Confident	84.7	Confident	113 Å²	113	47.7 Å²	47.7	69%	0.693	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.1	178.7	75.4	0	0	0	0	113.1	D355	D355-T357 PolarHBondContact O-N 2.94Å; D355-T357 WeakPolarHBondContact OD1-CA 3.44Å; D355-T357 WeakPolarHBondContact OD1-CB 3.47Å; D355-T357 PolarHBondContact OD1-N 3.49Å; D355-T357 PolarHBondContact OD1-OG1 3.4Å; D355-T357 PolarHBondContact OD2-OG1 3.42Å
358	D	88.1	Confident	84.7	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.064	29%	0.29	C	S	.	.	S	Bend	trans	-56.2	135.6	171.4	-179.5	-71.9	0	0	0	110.2	Y320 P352 D355 L356 A360 P361 A362	Y320-D358 VanDerWaalsContact CE2-OD1 3.24Å; Y320-D358 WeakPolarHBondContact CE2-OD1 3.28Å; Y320-D358 WeakPolarHBondContact CE2-OD2 3.32Å; Y320-D358 VanDerWaalsContact CZ-OD1 3.3Å; Y320-D358 VanDerWaalsContact OH-CG 3.24Å; Y320-D358 PolarHBondContact OH-OD1 2.76Å; Y320-D358 PolarHBondContact OH-OD2 3.46Å; P352-D358 HydrophobicContact CG-CB 3.95Å; D355-D358 WeakPolarHBondContact O-CB 3.37Å; D355-D358 PolarHBondContact O-N 3.01Å; L356-D358 VanDerWaalsContact C-N 3.34Å; D358-A360 PolarHBondContact O-N 3Å; D358-A360 VanDerWaalsContact O-N 3.12Å; D358-A360 WeakPolarHBondContact OD1-CB 3.37Å; D358-A360 PolarHBondContact OD1-N 3.44Å; D358-P361 HydrophobicContact CB-CG 4.25Å; D358-P361 WeakPolarHBondContact O-CD 3.32Å; D358-P361 WeakPolarHBondContact OD1-CD 3.42Å; D358-A362 VanDerWaalsContact O-CB 3.23Å; D358-A362 WeakPolarHBondContact O-CB 3.3Å; D358-A362 PolarHBondContact O-N 3.35Å
359	P	89.3	Confident	84.8	Confident	31 Å²	31	50.5 Å²	50.5	20%	0.201	30%	0.299	C	S	.	.	H	α-helix	trans	-54.2	-31	-178	-29	34.6	0	0	0	115.3	A317 V318 Y320 L324 T363	A317-P359 HydrophobicContact CB-CG 4.25Å; V318-P359 HydrophobicContact CG2-CG 4.15Å; Y320-P359 HydrophobicContact CD2-CB 3.94Å; Y320-P359 HydrophobicContact CD2-CG 4Å; Y320-P359 HydrophobicContact CE2-CB 4.27Å; Y320-P359 HydrophobicContact CE2-CG 4.25Å; L324-P359 HydrophobicContact CD2-CB 3.89Å; P359-T363 VanDerWaalsContact O-CB 3.27Å; P359-T363 WeakPolarHBondContact O-CB 3.21Å; P359-T363 PolarHBondContact O-N 2.91Å; P359-T363 PolarHBondContact O-OG1 3.32Å
360	A	88.4	Confident	85.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-72	-55.1	-176.8	0	0	0	0	0	112.3	F298 T301 Y320 D358 T364	F298-A360 HydrophobicContact CD2-CB 4.02Å; F298-A360 HydrophobicContact CE2-CB 4Å; T301-A360 HydrophobicContact CG2-CB 3.61Å; Y320-A360 HydrophobicContact CE1-CB 3.91Å; Y320-A360 HydrophobicContact CE2-CB 4.4Å; D358-A360 PolarHBondContact O-N 3Å; D358-A360 VanDerWaalsContact O-N 3.12Å; D358-A360 WeakPolarHBondContact OD1-CB 3.37Å; D358-A360 PolarHBondContact OD1-N 3.44Å; A360-T364 PolarHBondContact O-N 3.34Å; A360-T364 VanDerWaalsContact O-N 3.11Å; A360-T364 PolarHBondContact O-OG1 3.27Å
361	P	85.8	Confident	85.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-46.9	167.5	-24.7	32.8	0	0	0	112.6	V351 D358 T363 T364 F365	V351-P361 HydrophobicContact CG1-CG 4.38Å; D358-P361 HydrophobicContact CB-CG 4.25Å; D358-P361 WeakPolarHBondContact O-CD 3.32Å; D358-P361 WeakPolarHBondContact OD1-CD 3.42Å; P361-T363 VanDerWaalsContact C-N 3.32Å; P361-T363 PolarHBondContact O-N 3.47Å; P361-T364 WeakPolarHBondContact O-CA 3.35Å; P361-T364 WeakPolarHBondContact O-CB 3.41Å; P361-T364 PolarHBondContact O-N 3.14Å; P361-F365 VanDerWaalsContact C-CD2 3.45Å; P361-F365 HydrophobicContact CB-CD2 4.23Å; P361-F365 HydrophobicContact CB-CE2 3.77Å; P361-F365 WeakPolarHBondContact O-CD2 3.36Å; P361-F365 WeakPolarHBondContact O-CG 3.37Å; P361-F365 PolarHBondContact O-N 2.87Å
362	A	87.4	Confident	86.4	Confident	45 Å²	45	45.3 Å²	45.3	37%	0.372	28%	0.278	S	S	.	.	H	α-helix	trans	-56.6	-43.5	-177.6	0	0	0	0	0	113	D358	D358-A362 VanDerWaalsContact O-CB 3.23Å; D358-A362 WeakPolarHBondContact O-CB 3.3Å; D358-A362 PolarHBondContact O-N 3.35Å
363	T	89.9	Confident	87.2	Confident	32 Å²	32	46 Å²	46	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-39.3	176.2	-54.7	0	0	0	0	111.2	A325 M328 P359 P361 A366 H367	A325-T363 HydrophobicContact CB-CG2 4.35Å; M328-T363 HydrophobicContact CB-CG2 4.12Å; M328-T363 HydrophobicContact CG-CG2 4.21Å; P359-T363 VanDerWaalsContact O-CB 3.27Å; P359-T363 WeakPolarHBondContact O-CB 3.21Å; P359-T363 PolarHBondContact O-N 2.91Å; P359-T363 PolarHBondContact O-OG1 3.32Å; P361-T363 VanDerWaalsContact C-N 3.32Å; P361-T363 PolarHBondContact O-N 3.47Å; T363-A366 PolarHBondContact O-N 2.85Å; T363-H367 PolarHBondContact O-CD2 2.75Å; T363-H367 VanDerWaalsContact O-CD2 3.31Å
364	T	88.8	Confident	87.9	Confident	3 Å²	3	42 Å²	42	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42	178.9	-52.6	0	0	0	0	111.1	I297 I349 A360 P361 A366 H367 L368	I297-T364 HydrophobicContact CG2-CG2 4.2Å; I349-T364 HydrophobicContact CD1-CG2 3.75Å; I349-T364 HydrophobicContact CG1-CG2 4.23Å; A360-T364 PolarHBondContact O-N 3.34Å; A360-T364 VanDerWaalsContact O-N 3.11Å; A360-T364 PolarHBondContact O-OG1 3.27Å; P361-T364 WeakPolarHBondContact O-CA 3.35Å; P361-T364 WeakPolarHBondContact O-CB 3.41Å; P361-T364 PolarHBondContact O-N 3.14Å; T364-A366 PolarHBondContact O-N 3.48Å; T364-H367 PolarHBondContact O-N 2.79Å; T364-L368 HydrophobicContact CG2-CD2 4.45Å
365	F	86.4	Confident	88.6	Confident	66 Å²	66	36.1 Å²	36.1	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-55.7	-35.9	179.3	-78.6	-59.5	0	0	0	113.5	F194 L356 P361 H367 L368 T371	F194-F365 HydrophobicContact CD1-CZ 4.29Å; F194-F365 AromaticContact CE1-CE1 3.51Å; F194-F365 HydrophobicContact CE1-CE1 3.51Å; F194-F365 HydrophobicContact CE1-CE2 4.36Å; F194-F365 AromaticContact CE1-CZ 3.34Å; F194-F365 HydrophobicContact CE1-CZ 3.34Å; F194-F365 AromaticContact CE2-CE1 3.77Å; F194-F365 HydrophobicContact CE2-CE1 3.77Å; F194-F365 HydrophobicContact CE2-CZ 4.41Å; F194-F365 AromaticContact CZ-CD1 3.89Å; F194-F365 HydrophobicContact CZ-CD1 3.89Å; F194-F365 AromaticContact CZ-CE1 3.03Å; F194-F365 HydrophobicContact CZ-CE1 3.03Å; F194-F365 AromaticContact CZ-CZ 3.44Å; F194-F365 HydrophobicContact CZ-CZ 3.44Å; F194-F365 VanDerWaalsContact CZ-CZ 3.44Å; L356-F365 HydrophobicContact CD2-CE2 3.9Å; L356-F365 HydrophobicContact CD2-CZ 3.76Å; P361-F365 VanDerWaalsContact C-CD2 3.45Å; P361-F365 HydrophobicContact CB-CD2 4.23Å; P361-F365 HydrophobicContact CB-CE2 3.77Å; P361-F365 WeakPolarHBondContact O-CD2 3.36Å; P361-F365 WeakPolarHBondContact O-CG 3.37Å; P361-F365 PolarHBondContact O-N 2.87Å; F365-H367 PolarHBondContact O-N 2.93Å; F365-H367 VanDerWaalsContact O-N 3.15Å; F365-L368 HydrophobicContact CD1-CD1 4.03Å; F365-L368 PolarHBondContact O-N 2.85Å; F365-T371 HydrophobicContact CD1-CG2 4.28Å; F365-T371 HydrophobicContact CE1-CG2 4.22Å
366	A	90.3	Very high	89.2	Confident	88 Å²	88	39.8 Å²	39.8	73%	0.727	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	179.2	0	0	0	0	0	113.3	T363 T364	T363-A366 PolarHBondContact O-N 2.85Å; T364-A366 PolarHBondContact O-N 3.48Å
367	H	92.4	Very high	89.9	Confident	39 Å²	39	37.8 Å²	37.8	18%	0.181	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.3	178.6	-62.7	-80.6	0	0	0	113.6	K190 Q332 E333 T363 T364 F365	K190-H367 WeakPolarHBondContact CB-O 3.26Å; K190-H367 HydrophobicContact CD-CB 4.29Å; K190-H367 WeakPolarHBondContact CD-O 3.23Å; Q332-H367 HydrophobicContact CB-CB 4.06Å; Q332-H367 HydrophobicContact CG-CB 4.05Å; E333-H367 IonicContact OE1-CE1 3.48Å; E333-H367 IonicContact OE1-ND1 3.69Å; E333-H367 PolarHBondContact OE1-ND1 3.49Å; T363-H367 PolarHBondContact O-CD2 2.75Å; T363-H367 VanDerWaalsContact O-CD2 3.31Å; T364-H367 PolarHBondContact O-N 2.79Å; F365-H367 PolarHBondContact O-N 2.93Å; F365-H367 VanDerWaalsContact O-N 3.15Å
368	L	92.7	Very high	90.2	Very high	23 Å²	23	33 Å²	33	12%	0.12	20%	0.195	C	C	.	.			trans	-84	136.6	-175.9	-59.9	176.8	0	0	0	111.8	K190 F194 I349 T364 F365 T371	K190-L368 HydrophobicContact CB-CD2 4.18Å; K190-L368 CarbonylContact O-C 3.37Å; F194-L368 HydrophobicContact CE2-CD1 4.13Å; F194-L368 HydrophobicContact CZ-CD1 3.9Å; I349-L368 HydrophobicContact CD1-CD1 3.62Å; I349-L368 HydrophobicContact CD1-CD2 4.45Å; T364-L368 HydrophobicContact CG2-CD2 4.45Å; F365-L368 HydrophobicContact CD1-CD1 4.03Å; F365-L368 PolarHBondContact O-N 2.85Å; L368-T371 HydrophobicContact CD1-CG2 4.1Å
369	D	92.3	Very high	90.3	Very high	37 Å²	37	33 Å²	33	20%	0.198	20%	0.197	C	C	.	.	S	Bend	trans	-89.3	-30.4	172.2	-62.9	-66.9	0	0	0	112	G189 K190 R395	G189-D369 WeakPolarHBondContact CA-OD2 3.4Å; K190-D369 PolarHBondContact N-OD2 3.2Å; K190-D369 PolarHBondContact O-N 3.44Å; D369-R395 VanDerWaalsContact O-CB 3.28Å; D369-R395 WeakPolarHBondContact O-CB 3.04Å; D369-R395 PolarHBondContact O-N 2.9Å; D369-R395 IonicContact OD1-NH1 2.76Å
370	A	93.6	Very high	90.4	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.2	175.9	0	0	0	0	0	111.4	Y185 K190 I191 G192 T393	Y185-A370 HydrophobicContact CD1-CB 3.99Å; Y185-A370 HydrophobicContact CE1-CB 4.3Å; K190-A370 PolarHBondContact O-N 2.96Å; I191-A370 CarbonylContact C-O 3.58Å; I191-A370 WeakPolarHBondContact CA-O 3.4Å; I191-A370 HydrophobicContact CG1-CB 4.3Å; G192-A370 PolarHBondContact N-O 3.12Å; A370-T393 CarbonylContact C-O 3.54Å; A370-T393 WeakPolarHBondContact CA-O 3.46Å
371	T	93.2	Very high	90.5	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.117	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	174.7	61.4	0	0	0	0	109.2	F194 F365 L368 S392 T393	F194-T371 HydrophobicContact CE2-CG2 3.88Å; F365-T371 HydrophobicContact CD1-CG2 4.28Å; F365-T371 HydrophobicContact CE1-CG2 4.22Å; L368-T371 HydrophobicContact CD1-CG2 4.1Å; T371-S392 CarbonylContact O-C 3.56Å; T371-S392 VanDerWaalsContact O-CA 3.27Å; T371-S392 WeakPolarHBondContact O-CA 3.41Å; T371-S392 WeakPolarHBondContact O-CB 3.21Å; T371-T393 PolarHBondContact N-O 3.41Å; T371-T393 PolarHBondContact O-N 3.42Å; T371-T393 PolarHBondContact OG1-N 3.39Å; T371-T393 PolarHBondContact OG1-OG1 3Å
372	T	93.9	Very high	90.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.2	173.6	-54.7	0	0	0	0	108	Y185 G192 L193 F194 L374 V387	Y185-T372 WeakPolarHBondContact CE1-OG1 3.3Å; Y185-T372 PolarHBondContact OH-OG1 3.45Å; G192-T372 PolarHBondContact O-N 3.07Å; L193-T372 WeakPolarHBondContact CA-O 3.41Å; L193-T372 HydrophobicContact CD2-CG2 4.11Å; F194-T372 PolarHBondContact N-O 3.17Å; T372-L374 HydrophobicContact CG2-CD2 4.42Å; T372-V387 HydrophobicContact CG2-CB 4.41Å; T372-V387 HydrophobicContact CG2-CG1 3.78Å; T372-V387 HydrophobicContact CG2-CG2 3.77Å
373	V	91.8	Very high	91.1	Very high	38 Å²	38	41.5 Å²	41.5	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.6	-178.1	-174.7	0	0	0	0	108.6	F194 V387 D388 D391 S392	F194-V373 HydrophobicContact CB-CG1 4.39Å; F194-V373 HydrophobicContact CB-CG2 4.32Å; F194-V373 HydrophobicContact CD2-CG2 4.34Å; V373-V387 CarbonylContact O-C 3.58Å; V373-V387 WeakPolarHBondContact O-CA 3.29Å; V373-D388 HydrophobicContact CB-CB 4.41Å; V373-D388 PolarHBondContact O-N 2.76Å; V373-D391 HydrophobicContact CB-CB 4.18Å; V373-D391 HydrophobicContact CG1-CB 4.38Å; V373-D391 HydrophobicContact CG2-CB 4.09Å; V373-S392 PolarHBondContact N-OG 3.48Å
374	L	90.7	Very high	91.2	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.7	174.1	-57.4	-177.1	0	0	0	110.2	F194 V199 K201 L204 T372 A386 V387	F194-L374 WeakPolarHBondContact O-CB 3.42Å; F194-L374 PolarHBondContact O-N 3.37Å; V199-L374 HydrophobicContact CB-CB 4.04Å; V199-L374 HydrophobicContact CG2-CB 3.45Å; V199-L374 VanDerWaalsContact CG2-CB 3.45Å; V199-L374 HydrophobicContact CG2-CD1 3.89Å; V199-L374 HydrophobicContact CG2-CG 4.34Å; K201-L374 HydrophobicContact CB-CD1 4.27Å; K201-L374 HydrophobicContact CG-CD1 3.52Å; L204-L374 HydrophobicContact CD2-CD1 4.34Å; L204-L374 HydrophobicContact CD2-CD2 4.13Å; T372-L374 HydrophobicContact CG2-CD2 4.42Å; L374-A386 CarbonylContact C-O 3.58Å; L374-A386 VanDerWaalsContact CA-O 3.23Å; L374-A386 WeakPolarHBondContact CA-O 3.39Å; L374-V387 HydrophobicContact CD2-CB 4.23Å; L374-V387 HydrophobicContact CD2-CG2 3.51Å
375	S	88.3	Confident	91.5	Very high	27 Å²	27	44.8 Å²	44.8	19%	0.189	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-102.9	134.3	-173.7	177.7	0	0	0	0	111.9	A377 I378 A379 A386	S375-A377 VanDerWaalsContact C-N 3.33Å; S375-A377 PolarHBondContact O-N 3.27Å; S375-A377 PolarHBondContact OG-N 3.5Å; S375-I378 PolarHBondContact O-N 3.45Å; S375-A379 PolarHBondContact O-N 3.47Å; S375-A386 PolarHBondContact N-O 2.84Å
376	R	89.2	Confident	91.9	Very high	148 Å²	148	41.7 Å²	41.7	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-64.1	-38.7	173.7	-177.6	178.7	-67	163.5	1.8	111.8	V199 I378 A379 E380	V199-R376 HydrophobicContact CG1-CB 4.23Å; R376-I378 PolarHBondContact O-N 2.85Å; R376-A379 WeakPolarHBondContact O-CB 3.34Å; R376-A379 PolarHBondContact O-N 3.45Å; R376-A379 VanDerWaalsContact O-N 3.12Å; R376-E380 WeakPolarHBondContact CD-OE1 3.35Å; R376-E380 HydrophobicContact CG-CG 4.22Å; R376-E380 WeakPolarHBondContact CG-OE1 3.48Å; R376-E380 WeakPolarHBondContact O-CG 3.21Å; R376-E380 PolarHBondContact O-N 2.86Å
377	A	89.7	Confident	92.1	Very high	59 Å²	59	37.9 Å²	37.9	49%	0.488	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-35.3	-179.9	0	0	0	0	0	111.7	S375 L381	S375-A377 VanDerWaalsContact C-N 3.33Å; S375-A377 PolarHBondContact O-N 3.27Å; S375-A377 PolarHBondContact OG-N 3.5Å; A377-L381 WeakPolarHBondContact O-CG 3.22Å; A377-L381 PolarHBondContact O-N 3.24Å
378	I	91.8	Very high	92.2	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.072	19%	0.194	C	C	.	.	H	α-helix	trans	-73.2	-41	176.5	-61.5	179.9	0	0	0	110.9	S375 R376 E380 L381 I383 A386 V387 D388	S375-I378 PolarHBondContact O-N 3.45Å; R376-I378 PolarHBondContact O-N 2.85Å; I378-E380 VanDerWaalsContact C-N 3.33Å; I378-E380 PolarHBondContact O-N 3.45Å; I378-L381 WeakPolarHBondContact O-CB 3.25Å; I378-L381 PolarHBondContact O-N 3.25Å; I378-L381 VanDerWaalsContact O-N 3.17Å; I378-I383 HydrophobicContact CG2-CB 3.72Å; I378-I383 HydrophobicContact CG2-CG2 3.77Å; I378-I383 PolarHBondContact O-N 3.49Å; I378-A386 HydrophobicContact CB-CB 4.46Å; I378-A386 HydrophobicContact CG2-CB 4.35Å; I378-V387 VanDerWaalsContact CD1-O 3.31Å; I378-V387 WeakPolarHBondContact CD1-O 3.32Å; I378-D388 VanDerWaalsContact CD1-CA 3.48Å; I378-D388 HydrophobicContact CD1-CB 4Å
379	A	90.6	Very high	92.3	Very high	12 Å²	12	36.3 Å²	36.3	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-38.3	175.5	0	0	0	0	0	112.5	S375 R376 L381 G382 Y384 A386	S375-A379 PolarHBondContact O-N 3.47Å; R376-A379 WeakPolarHBondContact O-CB 3.34Å; R376-A379 PolarHBondContact O-N 3.45Å; R376-A379 VanDerWaalsContact O-N 3.12Å; A379-L381 PolarHBondContact O-N 3.37Å; A379-G382 WeakPolarHBondContact O-CA 3.45Å; A379-G382 PolarHBondContact O-N 3.06Å; A379-Y384 HydrophobicContact CB-CE1 4.34Å; A379-A386 HydrophobicContact CB-CB 3.8Å
380	E	91.3	Very high	92.4	Very high	151 Å²	151	36.3 Å²	36.3	71%	0.706	19%	0.192	S	C	*	.	H	α-helix	trans	-65.2	-25.7	176.4	-74.5	173.1	-175.7	0	0	112.9	R376 I378 G382	R376-E380 WeakPolarHBondContact CD-OE1 3.35Å; R376-E380 HydrophobicContact CG-CG 4.22Å; R376-E380 WeakPolarHBondContact CG-OE1 3.48Å; R376-E380 WeakPolarHBondContact O-CG 3.21Å; R376-E380 PolarHBondContact O-N 2.86Å; I378-E380 VanDerWaalsContact C-N 3.33Å; I378-E380 PolarHBondContact O-N 3.45Å; E380-G382 PolarHBondContact O-N 2.89Å
381	L	90.9	Very high	92.3	Very high	79 Å²	79	40.4 Å²	40.4	41%	0.414	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.9	170.5	-63	171.7	0	0	0	112.9	A377 I378 A379 I383 R451	A377-L381 WeakPolarHBondContact O-CG 3.22Å; A377-L381 PolarHBondContact O-N 3.24Å; I378-L381 WeakPolarHBondContact O-CB 3.25Å; I378-L381 PolarHBondContact O-N 3.25Å; I378-L381 VanDerWaalsContact O-N 3.17Å; A379-L381 PolarHBondContact O-N 3.37Å; L381-I383 VanDerWaalsContact C-N 3.31Å; L381-I383 HydrophobicContact CB-CD1 4.14Å; L381-I383 HydrophobicContact CB-CG1 4.15Å; L381-I383 HydrophobicContact CD1-CD1 4.4Å; L381-R451 PolarHBondContact O-NH1 3.38Å
382	G	91.3	Very high	92.3	Very high	21 Å²	21	39.6 Å²	39.6	22%	0.216	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	12.1	-175.1	0	0	0	0	0	114	A379 E380 Y497	A379-G382 WeakPolarHBondContact O-CA 3.45Å; A379-G382 PolarHBondContact O-N 3.06Å; E380-G382 PolarHBondContact O-N 2.89Å; G382-Y497 WeakPolarHBondContact O-CE2 3.04Å; G382-Y497 PolarHBondContact O-OH 2.81Å
383	I	93.5	Very high	92.3	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.232	C	C	.	.			trans	-86.9	115.5	-177.4	-62.1	176.2	0	0	0	109	I378 L381 Q450 R451	I378-I383 HydrophobicContact CG2-CB 3.72Å; I378-I383 HydrophobicContact CG2-CG2 3.77Å; I378-I383 PolarHBondContact O-N 3.49Å; L381-I383 VanDerWaalsContact C-N 3.31Å; L381-I383 HydrophobicContact CB-CD1 4.14Å; L381-I383 HydrophobicContact CB-CG1 4.15Å; L381-I383 HydrophobicContact CD1-CD1 4.4Å; I383-Q450 HydrophobicContact CD1-CG 3.74Å; I383-R451 VanDerWaalsContact CG1-NH1 3.33Å
384	Y	93.2	Very high	92.4	Very high	97 Å²	97	42.4 Å²	42.4	38%	0.38	23%	0.226	S	C	.	.	S	Bend	trans	-123.7	135.6	175.6	-71.3	-83.2	0	0	0	110.8	A379 S454 Q455	A379-Y384 HydrophobicContact CB-CE1 4.34Å; Y384-S454 VanDerWaalsContact O-CA 3.27Å; Y384-S454 WeakPolarHBondContact O-CA 3.41Å; Y384-S454 WeakPolarHBondContact O-CB 3.39Å; Y384-Q455 PolarHBondContact O-N 2.85Å
385	P	94.8	Very high	92.5	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.052	25%	0.254	C	S	.	.	S	Bend	cis	-68.1	146.7	-2.6	32.5	-38	0	0	0	112.3	I176 V178 L204 V387 F457	I176-P385 HydrophobicContact CG2-CG 4.08Å; V178-P385 HydrophobicContact CG1-CG 3.75Å; L204-P385 HydrophobicContact CD1-CB 4.3Å; P385-V387 HydrophobicContact CB-CG2 4.12Å; P385-V387 HydrophobicContact CG-CG2 4.23Å; P385-V387 PolarHBondContact O-N 3.12Å; P385-F457 HydrophobicContact CB-CE2 3.97Å; P385-F457 HydrophobicContact CB-CZ 3.68Å; P385-F457 HydrophobicContact CG-CE1 4.23Å; P385-F457 HydrophobicContact CG-CE2 4.39Å; P385-F457 HydrophobicContact CG-CZ 3.62Å
386	A	94.2	Very high	92.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.245	C	C	.	.			trans	-80.2	40.1	-172.8	0	0	0	0	0	113.5	L374 S375 I378 A379	L374-A386 CarbonylContact C-O 3.58Å; L374-A386 VanDerWaalsContact CA-O 3.23Å; L374-A386 WeakPolarHBondContact CA-O 3.39Å; S375-A386 PolarHBondContact N-O 2.84Å; I378-A386 HydrophobicContact CB-CB 4.46Å; I378-A386 HydrophobicContact CG2-CB 4.35Å; A379-A386 HydrophobicContact CB-CB 3.8Å
387	V	95.3	Very high	92.9	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.042	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-73.5	129.5	-177.4	179.7	0	0	0	0	110.2	V178 T372 V373 L374 I378 P385 P389 S392	V178-V387 HydrophobicContact CB-CB 4.49Å; V178-V387 HydrophobicContact CG1-CB 3.86Å; V178-V387 HydrophobicContact CG1-CG1 4.36Å; V178-V387 HydrophobicContact CG1-CG2 3.76Å; V178-V387 HydrophobicContact CG2-CB 3.77Å; V178-V387 HydrophobicContact CG2-CG1 3.68Å; T372-V387 HydrophobicContact CG2-CB 4.41Å; T372-V387 HydrophobicContact CG2-CG1 3.78Å; T372-V387 HydrophobicContact CG2-CG2 3.77Å; V373-V387 CarbonylContact O-C 3.58Å; V373-V387 WeakPolarHBondContact O-CA 3.29Å; L374-V387 HydrophobicContact CD2-CB 4.23Å; L374-V387 HydrophobicContact CD2-CG2 3.51Å; I378-V387 VanDerWaalsContact CD1-O 3.31Å; I378-V387 WeakPolarHBondContact CD1-O 3.32Å; P385-V387 HydrophobicContact CB-CG2 4.12Å; P385-V387 HydrophobicContact CG-CG2 4.23Å; P385-V387 PolarHBondContact O-N 3.12Å; V387-P389 WeakPolarHBondContact O-CD 3.45Å; V387-S392 WeakPolarHBondContact CG1-OG 3.4Å
388	D	94.4	Very high	93.1	Very high	18 Å²	18	42.5 Å²	42.5	10%	0.096	22%	0.215	C	C	.	.			trans	-77.5	113.8	171.1	-163.9	-55.9	0	0	0	110.2	V373 I378 L390 D391 S392	V373-D388 HydrophobicContact CB-CB 4.41Å; V373-D388 PolarHBondContact O-N 2.76Å; I378-D388 VanDerWaalsContact CD1-CA 3.48Å; I378-D388 HydrophobicContact CD1-CB 4Å; D388-L390 PolarHBondContact O-N 3.11Å; D388-L390 PolarHBondContact OD1-N 3.3Å; D388-D391 HydrophobicContact CB-CB 4.17Å; D388-D391 PolarHBondContact OD1-N 3.02Å; D388-D391 VanDerWaalsContact OD1-N 3.09Å; D388-S392 WeakPolarHBondContact O-CB 3.47Å; D388-S392 PolarHBondContact O-N 3.33Å; D388-S392 VanDerWaalsContact O-N 3.14Å; D388-S392 PolarHBondContact O-OG 2.9Å
389	P	94.1	Very high	93.2	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.071	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.9	-174.8	29.8	-35.1	0	0	0	114.1	L182 V387 L417 L453	L182-P389 HydrophobicContact CD1-CB 3.25Å; V387-P389 WeakPolarHBondContact O-CD 3.45Å; P389-L417 HydrophobicContact CB-CD1 3.74Å; P389-L417 HydrophobicContact CG-CD1 3.65Å; P389-L453 HydrophobicContact CB-CD1 4.03Å; P389-L453 HydrophobicContact CG-CD1 4.23Å
390	L	94.1	Very high	93.3	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.199	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-36.6	-177.8	-62.4	175.3	0	0	0	111.8	D388 L417 Q418 K421	D388-L390 PolarHBondContact O-N 3.11Å; D388-L390 PolarHBondContact OD1-N 3.3Å; L390-L417 HydrophobicContact CD2-CB 4.11Å; L390-Q418 HydrophobicContact CD2-CB 4.27Å; L390-K421 HydrophobicContact CD1-CB 4.49Å; L390-K421 HydrophobicContact CD1-CD 3.75Å
391	D	91.4	Very high	93.3	Very high	88 Å²	88	46 Å²	46	47%	0.471	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.2	180	-66.7	-14.5	0	0	0	112.9	V373 D388	V373-D391 HydrophobicContact CB-CB 4.18Å; V373-D391 HydrophobicContact CG1-CB 4.38Å; V373-D391 HydrophobicContact CG2-CB 4.09Å; D388-D391 HydrophobicContact CB-CB 4.17Å; D388-D391 PolarHBondContact OD1-N 3.02Å; D388-D391 VanDerWaalsContact OD1-N 3.09Å
392	S	93.6	Very high	93.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.225	C	C	.	.			trans	-79.2	134.9	174	-57.5	0	0	0	0	111.1	T371 V373 V387 D388	T371-S392 CarbonylContact O-C 3.56Å; T371-S392 VanDerWaalsContact O-CA 3.27Å; T371-S392 WeakPolarHBondContact O-CA 3.41Å; T371-S392 WeakPolarHBondContact O-CB 3.21Å; V373-S392 PolarHBondContact N-OG 3.48Å; V387-S392 WeakPolarHBondContact CG1-OG 3.4Å; D388-S392 WeakPolarHBondContact O-CB 3.47Å; D388-S392 PolarHBondContact O-N 3.33Å; D388-S392 VanDerWaalsContact O-N 3.14Å; D388-S392 PolarHBondContact O-OG 2.9Å
393	T	94.1	Very high	93.6	Very high	81 Å²	81	43.6 Å²	43.6	50%	0.497	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158	-175.2	70.6	0	0	0	0	111.5	A370 T371	A370-T393 CarbonylContact C-O 3.54Å; A370-T393 WeakPolarHBondContact CA-O 3.46Å; T371-T393 PolarHBondContact N-O 3.41Å; T371-T393 PolarHBondContact O-N 3.42Å; T371-T393 PolarHBondContact OG1-N 3.39Å; T371-T393 PolarHBondContact OG1-OG1 3Å
394	S	94.6	Very high	93.7	Very high	17 Å²	17	46.2 Å²	46.2	12%	0.119	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138	172.5	177.9	0	0	0	0	110.3	P184 I396 M397	P184-S394 WeakPolarHBondContact O-CB 3.44Å; P184-S394 PolarHBondContact O-OG 2.96Å; S394-I396 PolarHBondContact O-N 3.29Å; S394-I396 WeakPolarHBondContact OG-CG1 3.34Å; S394-I396 PolarHBondContact OG-N 3.25Å; S394-M397 WeakPolarHBondContact O-CB 3.45Å; S394-M397 PolarHBondContact O-N 2.75Å
395	R	92	Very high	93.9	Very high	166 Å²	166	47.1 Å²	47.1	63%	0.626	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.4	175.8	178.8	-179.1	158.4	-170.2	-4.3	112	D369 M397	D369-R395 VanDerWaalsContact O-CB 3.28Å; D369-R395 WeakPolarHBondContact O-CB 3.04Å; D369-R395 PolarHBondContact O-N 2.9Å; D369-R395 IonicContact OD1-NH1 2.76Å; R395-M397 PolarHBondContact O-N 3.34Å
396	I	92.8	Very high	94	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0	-180	62	156.5	0	0	0	113	I171 P184 A186 S394 D398 I401 V402	I171-I396 HydrophobicContact CG1-CD1 4.04Å; P184-I396 HydrophobicContact CB-CD1 4.01Å; P184-I396 HydrophobicContact CB-CG1 4.46Å; P184-I396 HydrophobicContact CG-CD1 4.17Å; P184-I396 HydrophobicContact CG-CG1 4.12Å; P184-I396 WeakPolarHBondContact O-CD1 3.37Å; P184-I396 WeakPolarHBondContact O-CG1 3.16Å; A186-I396 HydrophobicContact CB-CD1 4.14Å; A186-I396 HydrophobicContact CB-CG1 4.46Å; A186-I396 HydrophobicContact CB-CG2 3.78Å; S394-I396 PolarHBondContact O-N 3.29Å; S394-I396 WeakPolarHBondContact OG-CG1 3.34Å; S394-I396 PolarHBondContact OG-N 3.25Å; I396-D398 PolarHBondContact O-N 3.44Å; I396-I401 HydrophobicContact CB-CD1 4.29Å; I396-I401 HydrophobicContact CB-CG2 4.21Å; I396-I401 HydrophobicContact CG2-CD1 4.27Å; I396-V402 WeakPolarHBondContact O-CG1 3.32Å
397	M	93.9	Very high	94.1	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.089	27%	0.268	C	S	.	.			trans	-72	65.8	170.9	-170.1	57.2	76	0	0	110.9	L181 L182 P184 S394 R395 V402 Y407 A410	L181-M397 WeakPolarHBondContact O-CE 3.36Å; L182-M397 VanDerWaalsContact O-CE 3.3Å; L182-M397 WeakPolarHBondContact O-CE 3.4Å; P184-M397 HydrophobicContact CG-CE 3.68Å; S394-M397 WeakPolarHBondContact O-CB 3.45Å; S394-M397 PolarHBondContact O-N 2.75Å; R395-M397 PolarHBondContact O-N 3.34Å; M397-V402 HydrophobicContact SD-CG2 4.26Å; M397-Y407 HydrophobicContact CG-CD2 4.15Å; M397-Y407 HydrophobicContact CG-CE2 4.24Å; M397-Y407 WeakPolarHBondContact O-CE2 2.99Å; M397-Y407 HydrophobicContact SD-CD2 4.09Å; M397-A410 HydrophobicContact CE-CB 3.99Å; M397-A410 HydrophobicContact SD-CB 4.04Å
398	D	93.3	Very high	94.2	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	29%	0.292	S	S	.	.	S	Bend	trans	-130.8	131.8	-179.9	-173.7	-55.9	0	0	0	108.3	I396 N400 I401 V402	I396-D398 PolarHBondContact O-N 3.44Å; D398-N400 PolarHBondContact O-N 3.38Å; D398-N400 VanDerWaalsContact OD1-CB 3.29Å; D398-N400 WeakPolarHBondContact OD1-CB 3.44Å; D398-N400 PolarHBondContact OD1-N 2.78Å; D398-N400 PolarHBondContact OD1-ND2 2.7Å; D398-I401 HydrophobicContact CB-CD1 4.2Å; D398-I401 HydrophobicContact CB-CG1 4.38Å; D398-I401 PolarHBondContact O-N 3.45Å; D398-V402 WeakPolarHBondContact O-CG2 3.45Å; D398-V402 PolarHBondContact O-N 2.87Å
399	P	94.4	Very high	94.4	Very high	53 Å²	53	53.7 Å²	53.7	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-59.3	-20.8	-177.7	25.8	-36.3	0	0	0	113.9	I401 G403 Y407	P399-I401 VanDerWaalsContact C-N 3.32Å; P399-G403 CarbonylContact O-C 3.59Å; P399-G403 WeakPolarHBondContact O-CA 3.27Å; P399-G403 PolarHBondContact O-N 3.07Å; P399-Y407 HydrophobicContact CB-CD1 4.28Å; P399-Y407 HydrophobicContact CB-CG 4.1Å; P399-Y407 HydrophobicContact CG-CD1 4.44Å; P399-Y407 HydrophobicContact CG-CG 4.44Å
400	N	92.6	Very high	94.5	Very high	146 Å²	146	53.2 Å²	53.2	78%	0.781	29%	0.286	S	S	*	.	H	α-helix	trans	-75.8	-19.7	175.4	-59	-64.9	0	0	0	113.2	D398	D398-N400 PolarHBondContact O-N 3.38Å; D398-N400 VanDerWaalsContact OD1-CB 3.29Å; D398-N400 WeakPolarHBondContact OD1-CB 3.44Å; D398-N400 PolarHBondContact OD1-N 2.78Å; D398-N400 PolarHBondContact OD1-ND2 2.7Å
401	I	91.8	Very high	94.7	Very high	52 Å²	52	56.6 Å²	56.6	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-104.2	-55.7	-178.8	-56.7	170.6	0	0	0	110.1	Q169 I396 D398 P399	Q169-I401 HydrophobicContact CB-CG2 4.45Å; I396-I401 HydrophobicContact CB-CD1 4.29Å; I396-I401 HydrophobicContact CB-CG2 4.21Å; I396-I401 HydrophobicContact CG2-CD1 4.27Å; D398-I401 HydrophobicContact CB-CD1 4.2Å; D398-I401 HydrophobicContact CB-CG1 4.38Å; D398-I401 PolarHBondContact O-N 3.45Å; P399-I401 VanDerWaalsContact C-N 3.32Å
402	V	93	Very high	94.9	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-84.3	-13.2	-176.2	-59.3	0	0	0	0	113.5	I171 P184 I396 M397 D398 H406	I171-V402 HydrophobicContact CD1-CB 4.1Å; I171-V402 HydrophobicContact CD1-CG1 3.7Å; I171-V402 HydrophobicContact CG1-CG1 4.21Å; P184-V402 HydrophobicContact CG-CG1 4.24Å; I396-V402 WeakPolarHBondContact O-CG1 3.32Å; M397-V402 HydrophobicContact SD-CG2 4.26Å; D398-V402 WeakPolarHBondContact O-CG2 3.45Å; D398-V402 PolarHBondContact O-N 2.87Å; V402-H406 HydrophobicContact CB-CB 4.22Å; V402-H406 HydrophobicContact CG2-CB 4.21Å
403	G	94.9	Very high	95.1	Very high	30 Å²	30	53.4 Å²	53.4	31%	0.309	29%	0.285	S	S	.	.			trans	87.8	155.1	-172.8	0	0	0	0	0	112.9	P399 E405 Y407	P399-G403 CarbonylContact O-C 3.59Å; P399-G403 WeakPolarHBondContact O-CA 3.27Å; P399-G403 PolarHBondContact O-N 3.07Å; G403-E405 PolarHBondContact O-N 3.25Å; G403-Y407 WeakPolarHBondContact O-CB 2.94Å; G403-Y407 PolarHBondContact O-N 2.88Å; G403-Y407 VanDerWaalsContact O-N 3.16Å
404	A	96	Very high	95.2	Very high	58 Å²	58	51 Å²	51	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-41.1	-176.1	0	0	0	0	0	112.9	Y407 D408	A404-Y407 PolarHBondContact O-N 2.94Å; A404-D408 WeakPolarHBondContact O-CB 3.39Å; A404-D408 PolarHBondContact O-N 3.12Å
405	E	96.1	Very high	95.3	Very high	117 Å²	117	56.8 Å²	56.8	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-50.4	-178.1	-174.5	-178.2	-179.4	0	0	112.1	G403 Y407 V409 I477	G403-E405 PolarHBondContact O-N 3.25Å; E405-Y407 PolarHBondContact O-N 2.99Å; E405-V409 VanDerWaalsContact O-CG2 3.26Å; E405-V409 WeakPolarHBondContact O-CG2 3.45Å; E405-V409 PolarHBondContact O-N 3.24Å; E405-V409 VanDerWaalsContact O-N 3.13Å; E405-I477 HydrophobicContact CG-CG2 4.03Å
406	H	97.1	Very high	95.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-48.3	176.9	-172.9	173.7	0	0	0	110.5	D180 L181 V402 D408 V409 A410 I477	D180-H406 PolarHBondContact O-CE1 3.47Å; D180-H406 PolarHBondContact O-NE2 2.98Å; L181-H406 PolarHBondContact O-NE2 2.99Å; V402-H406 HydrophobicContact CB-CB 4.22Å; V402-H406 HydrophobicContact CG2-CB 4.21Å; H406-D408 PolarHBondContact O-N 3.39Å; H406-V409 PolarHBondContact O-N 3.02Å; H406-A410 WeakPolarHBondContact O-CB 3.44Å; H406-A410 PolarHBondContact O-N 2.87Å; H406-I477 HydrophobicContact CB-CD1 3.74Å; H406-I477 HydrophobicContact CB-CG1 4.35Å
407	Y	97.4	Very high	95.7	Very high	57 Å²	57	50.4 Å²	50.4	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-47.9	-179.1	-176.2	-96.4	0	0	0	112.7	M397 P399 G403 A404 E405 V409 A410 R411	M397-Y407 HydrophobicContact CG-CD2 4.15Å; M397-Y407 HydrophobicContact CG-CE2 4.24Å; M397-Y407 WeakPolarHBondContact O-CE2 2.99Å; M397-Y407 HydrophobicContact SD-CD2 4.09Å; P399-Y407 HydrophobicContact CB-CD1 4.28Å; P399-Y407 HydrophobicContact CB-CG 4.1Å; P399-Y407 HydrophobicContact CG-CD1 4.44Å; P399-Y407 HydrophobicContact CG-CG 4.44Å; G403-Y407 WeakPolarHBondContact O-CB 2.94Å; G403-Y407 PolarHBondContact O-N 2.88Å; G403-Y407 VanDerWaalsContact O-N 3.16Å; A404-Y407 PolarHBondContact O-N 2.94Å; E405-Y407 PolarHBondContact O-N 2.99Å; Y407-V409 PolarHBondContact O-N 3.12Å; Y407-A410 PolarHBondContact O-N 2.8Å; Y407-R411 HydrophobicContact CD1-CG 4.1Å; Y407-R411 HydrophobicContact CE1-CG 3.7Å; Y407-R411 HydrophobicContact CE2-CG 4.2Å; Y407-R411 VanDerWaalsContact CZ-NE 3.32Å; Y407-R411 WeakPolarHBondContact O-CB 3.48Å; Y407-R411 VanDerWaalsContact O-CG 3.32Å; Y407-R411 WeakPolarHBondContact O-CG 3.42Å; Y407-R411 PolarHBondContact O-N 3.42Å; Y407-R411 PolarHBondContact OH-NE 2.88Å; Y407-R411 PolarHBondContact OH-NH2 3.41Å
408	D	97.5	Very high	95.8	Very high	104 Å²	104	53.9 Å²	53.9	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-66.1	-40	-177.4	-70.8	-23.1	0	0	0	111.7	A404 H406 G412	A404-D408 WeakPolarHBondContact O-CB 3.39Å; A404-D408 PolarHBondContact O-N 3.12Å; H406-D408 PolarHBondContact O-N 3.39Å; D408-G412 PolarHBondContact O-N 2.92Å
409	V	97.4	Very high	95.9	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-46.8	174.7	174.6	0	0	0	0	110.6	L181 E405 H406 Y407 R411 G412 V413 I477 F480 Q481 L484	L181-V409 HydrophobicContact CD1-CG1 4.07Å; E405-V409 VanDerWaalsContact O-CG2 3.26Å; E405-V409 WeakPolarHBondContact O-CG2 3.45Å; E405-V409 PolarHBondContact O-N 3.24Å; E405-V409 VanDerWaalsContact O-N 3.13Å; H406-V409 PolarHBondContact O-N 3.02Å; Y407-V409 PolarHBondContact O-N 3.12Å; V409-R411 PolarHBondContact O-N 2.99Å; V409-G412 PolarHBondContact O-N 2.83Å; V409-V413 WeakPolarHBondContact O-CG2 3.5Å; V409-V413 PolarHBondContact O-N 3.2Å; V409-I477 HydrophobicContact CB-CG2 4.5Å; V409-I477 HydrophobicContact CG2-CG2 4.14Å; V409-F480 HydrophobicContact CG1-CB 3.71Å; V409-Q481 HydrophobicContact CG2-CB 3.85Å; V409-Q481 HydrophobicContact CG2-CG 4.06Å; V409-L484 HydrophobicContact CB-CD1 4.49Å; V409-L484 HydrophobicContact CG1-CD1 4.09Å
410	A	97	Very high	96	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-44.2	178.3	0	0	0	0	0	111.8	L181 L182 M397 H406 Y407 V413 Q414	L181-A410 HydrophobicContact CD1-CB 4.4Å; L181-A410 HydrophobicContact CG-CB 4.42Å; L181-A410 WeakPolarHBondContact O-CB 3.15Å; L182-A410 HydrophobicContact CD2-CB 4.23Å; M397-A410 HydrophobicContact CE-CB 3.99Å; M397-A410 HydrophobicContact SD-CB 4.04Å; H406-A410 WeakPolarHBondContact O-CB 3.44Å; H406-A410 PolarHBondContact O-N 2.87Å; Y407-A410 PolarHBondContact O-N 2.8Å; A410-V413 PolarHBondContact O-N 3.45Å; A410-Q414 WeakPolarHBondContact O-CG 3.46Å; A410-Q414 PolarHBondContact O-N 3.24Å
411	R	97.1	Very high	96	Very high	109 Å²	109	50 Å²	50	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-65.5	-38	175.6	-69.2	-55.2	-172.7	-171.9	1.4	112.8	Y407 V409 Q414 K415	Y407-R411 HydrophobicContact CD1-CG 4.1Å; Y407-R411 HydrophobicContact CE1-CG 3.7Å; Y407-R411 HydrophobicContact CE2-CG 4.2Å; Y407-R411 VanDerWaalsContact CZ-NE 3.32Å; Y407-R411 WeakPolarHBondContact O-CB 3.48Å; Y407-R411 VanDerWaalsContact O-CG 3.32Å; Y407-R411 WeakPolarHBondContact O-CG 3.42Å; Y407-R411 PolarHBondContact O-N 3.42Å; Y407-R411 PolarHBondContact OH-NE 2.88Å; Y407-R411 PolarHBondContact OH-NH2 3.41Å; V409-R411 PolarHBondContact O-N 2.99Å; R411-Q414 PolarHBondContact O-N 3.37Å; R411-K415 WeakPolarHBondContact O-CB 2.93Å; R411-K415 PolarHBondContact O-N 3.28Å
412	G	97.1	Very high	96.1	Very high	22 Å²	22	51 Å²	51	23%	0.227	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-45.5	173.8	0	0	0	0	0	112.3	D408 V409 K415 I416	D408-G412 PolarHBondContact O-N 2.92Å; V409-G412 PolarHBondContact O-N 2.83Å; G412-K415 PolarHBondContact O-N 2.69Å; G412-I416 PolarHBondContact O-N 3.15Å; G412-I416 VanDerWaalsContact O-N 3.13Å
413	V	96.9	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-48.8	175.6	167	0	0	0	0	111.4	L181 L182 V409 A410 K415 I416 L417 I449 F480 L484	L181-V413 HydrophobicContact CD2-CG1 4.49Å; L181-V413 HydrophobicContact CD2-CG2 4.16Å; L182-V413 HydrophobicContact CD1-CG1 4.44Å; L182-V413 HydrophobicContact CD2-CB 4.34Å; L182-V413 HydrophobicContact CD2-CG1 4Å; V409-V413 WeakPolarHBondContact O-CG2 3.5Å; V409-V413 PolarHBondContact O-N 3.2Å; A410-V413 PolarHBondContact O-N 3.45Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.17Å; V413-I416 PolarHBondContact O-N 3.14Å; V413-L417 HydrophobicContact CG1-CD1 3.77Å; V413-L417 WeakPolarHBondContact O-CG 3.2Å; V413-L417 PolarHBondContact O-N 3.18Å; V413-L417 VanDerWaalsContact O-N 3.07Å; V413-I449 HydrophobicContact CG1-CG2 3.65Å; V413-F480 HydrophobicContact CG2-CB 4.15Å; V413-F480 HydrophobicContact CG2-CD1 3.73Å; V413-F480 HydrophobicContact CG2-CG 4.25Å; V413-L484 HydrophobicContact CG2-CD1 4.18Å; V413-L484 HydrophobicContact CG2-CD2 4.14Å; V413-L484 HydrophobicContact CG2-CG 4.29Å
414	Q	96.5	Very high	96	Very high	31 Å²	31	53.1 Å²	53.1	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-42	177.5	-74.8	-178.7	-30	0	0	112	L182 A410 R411 L417 Q418	L182-Q414 HydrophobicContact CD2-CG 4.07Å; A410-Q414 WeakPolarHBondContact O-CG 3.46Å; A410-Q414 PolarHBondContact O-N 3.24Å; R411-Q414 PolarHBondContact O-N 3.37Å; Q414-L417 PolarHBondContact O-N 2.89Å; Q414-Q418 VanDerWaalsContact O-CB 3.32Å; Q414-Q418 WeakPolarHBondContact O-CB 3.48Å; Q414-Q418 PolarHBondContact O-N 2.87Å
415	K	97.2	Very high	95.8	Very high	139 Å²	139	56 Å²	56	60%	0.604	28%	0.275	S	S	*	.	H	α-helix	trans	-60.7	-50.9	178.6	-175.7	179.9	176.7	-174.3	0	111.8	R411 G412 V413 L417 Q418 D419	R411-K415 WeakPolarHBondContact O-CB 2.93Å; R411-K415 PolarHBondContact O-N 3.28Å; G412-K415 PolarHBondContact O-N 2.69Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.17Å; K415-L417 VanDerWaalsContact C-N 3.29Å; K415-L417 PolarHBondContact O-N 2.99Å; K415-Q418 PolarHBondContact O-N 2.76Å; K415-D419 VanDerWaalsContact O-CG 3.25Å; K415-D419 PolarHBondContact O-N 3.09Å
416	I	96.6	Very high	95.6	Very high	25 Å²	25	53.9 Å²	53.9	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-41	179.1	-69.4	-177.4	0	0	0	111.3	G412 V413 D419 Y420 I442 A446 I449 L484	G412-I416 PolarHBondContact O-N 3.15Å; G412-I416 VanDerWaalsContact O-N 3.13Å; V413-I416 PolarHBondContact O-N 3.14Å; I416-D419 PolarHBondContact O-N 2.92Å; I416-Y420 WeakPolarHBondContact O-CB 3.19Å; I416-Y420 PolarHBondContact O-N 3.02Å; I416-I442 HydrophobicContact CG2-CG2 4.42Å; I416-A446 HydrophobicContact CG2-CB 3.7Å; I416-I449 HydrophobicContact CB-CD1 4.33Å; I416-I449 HydrophobicContact CD1-CD1 4.13Å; I416-I449 HydrophobicContact CG2-CD1 4.02Å; I416-L484 HydrophobicContact CD1-CD2 3.44Å; I416-L484 VanDerWaalsContact CD1-CD2 3.44Å; I416-L484 HydrophobicContact CG1-CD2 4.36Å
417	L	96.1	Very high	95.4	Very high	8 Å²	8	55 Å²	55	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-36.4	178.4	-69.6	170.8	0	0	0	112.3	P389 L390 V413 Q414 K415 Y420 K421 I449 Q450 L453	P389-L417 HydrophobicContact CB-CD1 3.74Å; P389-L417 HydrophobicContact CG-CD1 3.65Å; L390-L417 HydrophobicContact CD2-CB 4.11Å; V413-L417 HydrophobicContact CG1-CD1 3.77Å; V413-L417 WeakPolarHBondContact O-CG 3.2Å; V413-L417 PolarHBondContact O-N 3.18Å; V413-L417 VanDerWaalsContact O-N 3.07Å; Q414-L417 PolarHBondContact O-N 2.89Å; K415-L417 VanDerWaalsContact C-N 3.29Å; K415-L417 PolarHBondContact O-N 2.99Å; L417-Y420 PolarHBondContact O-N 3.23Å; L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 PolarHBondContact O-N 3.41Å; L417-I449 HydrophobicContact CD1-CG2 4.11Å; L417-I449 HydrophobicContact CD2-CG2 4.17Å; L417-I449 HydrophobicContact CG-CG2 4.21Å; L417-Q450 HydrophobicContact CD2-CB 4.36Å; L417-L453 HydrophobicContact CD1-CD1 4.26Å
418	Q	96.2	Very high	95.1	Very high	91 Å²	91	56.5 Å²	56.5	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-68.4	-42.6	175.6	-176.7	60	43.1	0	0	112	L390 Q414 K415 Y420 K421 S422	L390-Q418 HydrophobicContact CD2-CB 4.27Å; Q414-Q418 VanDerWaalsContact O-CB 3.32Å; Q414-Q418 WeakPolarHBondContact O-CB 3.48Å; Q414-Q418 PolarHBondContact O-N 2.87Å; K415-Q418 PolarHBondContact O-N 2.76Å; Q418-Y420 VanDerWaalsContact C-N 3.34Å; Q418-K421 PolarHBondContact O-N 2.86Å; Q418-S422 PolarHBondContact O-N 3.26Å; Q418-S422 VanDerWaalsContact O-N 3.11Å; Q418-S422 PolarHBondContact O-OG 2.72Å
419	D	95.5	Very high	94.9	Very high	58 Å²	58	58.2 Å²	58.2	31%	0.31	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.2	-66.2	-21.3	0	0	0	109.6	K415 I416 K421 S422 L423 I442	K415-D419 VanDerWaalsContact O-CG 3.25Å; K415-D419 PolarHBondContact O-N 3.09Å; I416-D419 PolarHBondContact O-N 2.92Å; D419-K421 PolarHBondContact O-N 3.01Å; D419-S422 WeakPolarHBondContact O-CB 3.46Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 VanDerWaalsContact O-N 3.14Å; D419-L423 WeakPolarHBondContact O-CG 3.48Å; D419-L423 PolarHBondContact O-N 3.09Å; D419-I442 HydrophobicContact CB-CG2 4.06Å
420	Y	95.4	Very high	94.7	Very high	25 Å²	25	63.1 Å²	63.1	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-46	174.7	172.8	-123.7	0	0	0	113.1	I416 L417 Q418 S422 L423 Q424 V443 A446	I416-Y420 WeakPolarHBondContact O-CB 3.19Å; I416-Y420 PolarHBondContact O-N 3.02Å; L417-Y420 PolarHBondContact O-N 3.23Å; Q418-Y420 VanDerWaalsContact C-N 3.34Å; Y420-S422 PolarHBondContact O-N 3.25Å; Y420-L423 PolarHBondContact O-N 2.83Å; Y420-L423 VanDerWaalsContact O-N 3.07Å; Y420-Q424 HydrophobicContact CD2-CG 4.33Å; Y420-Q424 HydrophobicContact CE1-CG 4.23Å; Y420-Q424 HydrophobicContact CE2-CG 3.86Å; Y420-Q424 WeakPolarHBondContact O-CG 3.48Å; Y420-Q424 PolarHBondContact O-N 2.83Å; Y420-Q424 PolarHBondContact OH-NE2 3.32Å; Y420-Q424 VanDerWaalsContact OH-NE2 3.1Å; Y420-V443 HydrophobicContact CD2-CB 4.39Å; Y420-V443 HydrophobicContact CD2-CG1 4.21Å; Y420-V443 HydrophobicContact CD2-CG2 4.09Å; Y420-V443 HydrophobicContact CE2-CG1 3.98Å; Y420-A446 HydrophobicContact CD1-CB 3.88Å; Y420-A446 HydrophobicContact CD2-CB 4.12Å; Y420-A446 HydrophobicContact CG-CB 3.51Å
421	K	93.4	Very high	94.5	Very high	95 Å²	95	64.5 Å²	64.5	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-36.7	176.2	-170.6	172	-178	174.5	0	111.8	L390 L417 Q418 D419 Q424	L390-K421 HydrophobicContact CD1-CB 4.49Å; L390-K421 HydrophobicContact CD1-CD 3.75Å; L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 PolarHBondContact O-N 3.41Å; Q418-K421 PolarHBondContact O-N 2.86Å; D419-K421 PolarHBondContact O-N 3.01Å; K421-Q424 PolarHBondContact O-N 3.12Å
422	S	93.2	Very high	94.1	Very high	71 Å²	71	63.3 Å²	63.3	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-71.8	-31.5	177.1	-51	0	0	0	0	112.5	Q418 D419 Y420	Q418-S422 PolarHBondContact O-N 3.26Å; Q418-S422 VanDerWaalsContact O-N 3.11Å; Q418-S422 PolarHBondContact O-OG 2.72Å; D419-S422 WeakPolarHBondContact O-CB 3.46Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 VanDerWaalsContact O-N 3.14Å; Y420-S422 PolarHBondContact O-N 3.25Å
423	L	94.8	Very high	93.9	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-79.1	-21.1	176.2	-66.6	173.1	0	0	0	113.1	D419 Y420 D425 I426 I427 L435 D439 I442 V443	D419-L423 WeakPolarHBondContact O-CG 3.48Å; D419-L423 PolarHBondContact O-N 3.09Å; Y420-L423 PolarHBondContact O-N 2.83Å; Y420-L423 VanDerWaalsContact O-N 3.07Å; L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.86Å; L423-I426 HydrophobicContact CD2-CD1 4.27Å; L423-I426 WeakPolarHBondContact O-CB 3.46Å; L423-I426 PolarHBondContact O-N 2.86Å; L423-I426 VanDerWaalsContact O-N 3.16Å; L423-I427 HydrophobicContact CB-CD1 4.28Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.26Å; L423-I427 PolarHBondContact O-N 3.25Å; L423-L435 HydrophobicContact CD2-CD2 4.07Å; L423-D439 HydrophobicContact CD1-CB 4Å; L423-D439 HydrophobicContact CD2-CB 4.46Å; L423-I442 HydrophobicContact CD1-CG2 4.4Å; L423-V443 HydrophobicContact CB-CG2 4.45Å; L423-V443 HydrophobicContact CD1-CG2 3.89Å
424	Q	92.3	Very high	93.6	Very high	76 Å²	76	75.6 Å²	75.6	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-41.5	-178.1	-82.2	-177.6	-22	0	0	113.1	Y420 K421 I426 I427 A428	Y420-Q424 HydrophobicContact CD2-CG 4.33Å; Y420-Q424 HydrophobicContact CE1-CG 4.23Å; Y420-Q424 HydrophobicContact CE2-CG 3.86Å; Y420-Q424 WeakPolarHBondContact O-CG 3.48Å; Y420-Q424 PolarHBondContact O-N 2.83Å; Y420-Q424 PolarHBondContact OH-NE2 3.32Å; Y420-Q424 VanDerWaalsContact OH-NE2 3.1Å; K421-Q424 PolarHBondContact O-N 3.12Å; Q424-I426 VanDerWaalsContact C-N 3.33Å; Q424-I426 PolarHBondContact O-N 3.2Å; Q424-I427 PolarHBondContact O-N 2.67Å; Q424-A428 WeakPolarHBondContact O-CB 3.43Å; Q424-A428 PolarHBondContact O-N 3Å
425	D	91.2	Very high	93.4	Very high	118 Å²	118	74.8 Å²	74.8	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-64.7	-39.5	178.4	-71.7	-18.9	0	0	0	111.6	L423 A428 I429	L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.86Å; D425-A428 PolarHBondContact O-N 3.1Å; D425-I429 WeakPolarHBondContact O-CG1 3.27Å; D425-I429 PolarHBondContact O-N 3.21Å
426	I	91.6	Very high	93.3	Very high	73 Å²	73	70.8 Å²	70.8	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-46.7	176.4	-57.4	179.8	0	0	0	109.9	L423 Q424 A428 I429 L430 L435	L423-I426 HydrophobicContact CD2-CD1 4.27Å; L423-I426 WeakPolarHBondContact O-CB 3.46Å; L423-I426 PolarHBondContact O-N 2.86Å; L423-I426 VanDerWaalsContact O-N 3.16Å; Q424-I426 VanDerWaalsContact C-N 3.33Å; Q424-I426 PolarHBondContact O-N 3.2Å; I426-A428 VanDerWaalsContact C-N 3.29Å; I426-A428 PolarHBondContact O-N 3.46Å; I426-I429 PolarHBondContact O-N 3.27Å; I426-L430 HydrophobicContact CG2-CD1 3.96Å; I426-L430 PolarHBondContact O-N 2.62Å; I426-L435 HydrophobicContact CG2-CD2 4.14Å
427	I	92.1	Very high	93.1	Very high	29 Å²	29	76.2 Å²	76.2	15%	0.149	41%	0.411	C	S	.	.	H	α-helix	trans	-60.4	-40.5	178.2	-67	163.2	0	0	0	111	L423 Q424 I429 G431 M432 L435 V443	L423-I427 HydrophobicContact CB-CD1 4.28Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.26Å; L423-I427 PolarHBondContact O-N 3.25Å; Q424-I427 PolarHBondContact O-N 2.67Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 PolarHBondContact O-N 3.39Å; I427-G431 VanDerWaalsContact O-CA 3.25Å; I427-G431 WeakPolarHBondContact O-CA 3.18Å; I427-G431 PolarHBondContact O-N 3.13Å; I427-M432 HydrophobicContact CG1-CG 4.48Å; I427-M432 HydrophobicContact CG2-CG 3.75Å; I427-L435 HydrophobicContact CD1-CD1 3.93Å; I427-L435 HydrophobicContact CG1-CD1 3.67Å; I427-L435 HydrophobicContact CG1-CG 4.41Å; I427-V443 HydrophobicContact CD1-CG1 4.25Å; I427-V443 HydrophobicContact CD1-CG2 3.8Å
428	A	92.8	Very high	92.9	Very high	87 Å²	87	83.2 Å²	83.2	72%	0.719	44%	0.443	S	S	*	.	H	α-helix	trans	-66.4	-29.4	-179.8	0	0	0	0	0	113	Q424 D425 I426	Q424-A428 WeakPolarHBondContact O-CB 3.43Å; Q424-A428 PolarHBondContact O-N 3Å; D425-A428 PolarHBondContact O-N 3.1Å; I426-A428 VanDerWaalsContact C-N 3.29Å; I426-A428 PolarHBondContact O-N 3.46Å
429	I	93.1	Very high	92.8	Very high	141 Å²	141	81.2 Å²	81.2	72%	0.723	44%	0.435	S	S	*	.	H	α-helix	trans	-94.1	-49.7	-177.9	-63.2	168.1	0	0	0	112.2	D425 I426 I427	D425-I429 WeakPolarHBondContact O-CG1 3.27Å; D425-I429 PolarHBondContact O-N 3.21Å; I426-I429 PolarHBondContact O-N 3.27Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 PolarHBondContact O-N 3.39Å
430	L	92.5	Very high	92.7	Very high	110 Å²	110	81.4 Å²	81.4	58%	0.576	43%	0.433	S	S	*	.	H	α-helix	trans	-99.6	-21.6	-170.7	-61.7	179.7	0	0	0	113.3	I426 E434	I426-L430 HydrophobicContact CG2-CD1 3.96Å; I426-L430 PolarHBondContact O-N 2.62Å; L430-E434 HydrophobicContact CB-CB 4.09Å; L430-E434 HydrophobicContact CB-CG 4.1Å
431	G	92	Very high	92.6	Very high	28 Å²	28	83.8 Å²	83.8	29%	0.289	45%	0.447	S	S	.	.			trans	90.4	166.6	-172.8	0	0	0	0	0	113.3	I427 D433	I427-G431 VanDerWaalsContact O-CA 3.25Å; I427-G431 WeakPolarHBondContact O-CA 3.18Å; I427-G431 PolarHBondContact O-N 3.13Å; G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 2.88Å
432	M	90.6	Very high	92.7	Very high	84 Å²	84	81.4 Å²	81.4	41%	0.414	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-71.9	-23.1	-177.7	-67.9	-163.2	-45.4	0	0	113.7	I427 E434 L435 K440	I427-M432 HydrophobicContact CG1-CG 4.48Å; I427-M432 HydrophobicContact CG2-CG 3.75Å; M432-E434 VanDerWaalsContact C-N 3.26Å; M432-E434 PolarHBondContact O-N 2.81Å; M432-L435 WeakPolarHBondContact O-CB 3.47Å; M432-L435 PolarHBondContact O-N 2.93Å; M432-K440 WeakPolarHBondContact O-CE 3.24Å
433	D	91	Very high	92.8	Very high	139 Å²	139	78.3 Å²	78.3	74%	0.743	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-70.7	-25.6	-174	-65.4	-41.7	0	0	0	112.8	G431 L435 K440	G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 2.88Å; D433-L435 VanDerWaalsContact C-N 3.27Å; D433-L435 PolarHBondContact O-N 2.94Å; D433-K440 PolarHBondContact O-NZ 2.72Å
434	E	91.2	Very high	92.7	Very high	141 Å²	141	79.1 Å²	79.1	66%	0.659	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-79.7	-6.7	-180	-64.5	-62	144.6	0	0	113.5	L430 M432	L430-E434 HydrophobicContact CB-CB 4.09Å; L430-E434 HydrophobicContact CB-CG 4.1Å; M432-E434 VanDerWaalsContact C-N 3.26Å; M432-E434 PolarHBondContact O-N 2.81Å
435	L	92.8	Very high	92.9	Very high	14 Å²	14	77.9 Å²	77.9	7%	0.073	42%	0.416	C	S	.	.	S	Bend	trans	-76.7	151	175.6	-67.9	-179.1	0	0	0	111.5	L423 I426 I427 M432 D433 D439 K440 V443	L423-L435 HydrophobicContact CD2-CD2 4.07Å; I426-L435 HydrophobicContact CG2-CD2 4.14Å; I427-L435 HydrophobicContact CD1-CD1 3.93Å; I427-L435 HydrophobicContact CG1-CD1 3.67Å; I427-L435 HydrophobicContact CG1-CG 4.41Å; M432-L435 WeakPolarHBondContact O-CB 3.47Å; M432-L435 PolarHBondContact O-N 2.93Å; D433-L435 VanDerWaalsContact C-N 3.27Å; D433-L435 PolarHBondContact O-N 2.94Å; L435-D439 HydrophobicContact CB-CB 4.03Å; L435-D439 HydrophobicContact CD1-CB 4.44Å; L435-D439 HydrophobicContact CD2-CB 4.27Å; L435-D439 HydrophobicContact CG-CB 4.49Å; L435-K440 HydrophobicContact CB-CG 3.89Å; L435-K440 WeakPolarHBondContact O-CE 3.47Å; L435-V443 HydrophobicContact CD1-CG2 3.96Å
436	S	94.2	Very high	93.1	Very high	56 Å²	56	72.2 Å²	72.2	39%	0.392	39%	0.386	S	S	.	.			trans	-63.8	157.8	168.7	75.4	0	0	0	0	110.7	E438 D439 K440	S436-E438 PolarHBondContact O-N 2.95Å; S436-D439 PolarHBondContact O-N 3.27Å; S436-D439 VanDerWaalsContact O-N 3.15Å; S436-D439 WeakPolarHBondContact OG-CB 3.34Å; S436-D439 PolarHBondContact OG-N 3.43Å; S436-D439 VanDerWaalsContact OG-N 3.12Å; S436-D439 PolarHBondContact OG-OD2 3.49Å; S436-K440 WeakPolarHBondContact O-CG 3.42Å; S436-K440 PolarHBondContact O-N 2.88Å
437	E	92.9	Very high	93.3	Very high	139 Å²	139	72 Å²	72	65%	0.65	38%	0.381	S	S	*	.	H	α-helix	trans	-62.3	-29.7	177.8	-64.6	-58	126.1	0	0	112.3	K440 L441	E437-K440 IonicContact OE1-NZ 3.46Å; E437-K440 PolarHBondContact OE1-NZ 3.42Å; E437-L441 PolarHBondContact O-N 3.16Å; E437-L441 VanDerWaalsContact O-N 3.1Å
438	E	92.5	Very high	93.5	Very high	154 Å²	154	70.9 Å²	70.9	72%	0.72	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-45.4	173.2	-65.6	-177.5	179.7	0	0	111.3	S436 K440 L441 I442	S436-E438 PolarHBondContact O-N 2.95Å; E438-K440 VanDerWaalsContact C-N 3.35Å; E438-K440 PolarHBondContact O-N 2.68Å; E438-L441 WeakPolarHBondContact O-CB 3.45Å; E438-L441 PolarHBondContact O-N 2.92Å; E438-I442 WeakPolarHBondContact O-CG1 3.39Å; E438-I442 PolarHBondContact O-N 3.28Å
439	D	94.3	Very high	93.6	Very high	49 Å²	49	66.7 Å²	66.7	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-38.4	177.4	-65.1	-41.1	0	0	0	111.6	L423 L435 S436 L441 I442 V443	L423-D439 HydrophobicContact CD1-CB 4Å; L423-D439 HydrophobicContact CD2-CB 4.46Å; L435-D439 HydrophobicContact CB-CB 4.03Å; L435-D439 HydrophobicContact CD1-CB 4.44Å; L435-D439 HydrophobicContact CD2-CB 4.27Å; L435-D439 HydrophobicContact CG-CB 4.49Å; S436-D439 PolarHBondContact O-N 3.27Å; S436-D439 VanDerWaalsContact O-N 3.15Å; S436-D439 WeakPolarHBondContact OG-CB 3.34Å; S436-D439 PolarHBondContact OG-N 3.43Å; S436-D439 VanDerWaalsContact OG-N 3.12Å; S436-D439 PolarHBondContact OG-OD2 3.49Å; D439-L441 VanDerWaalsContact C-N 3.28Å; D439-L441 PolarHBondContact O-N 3.13Å; D439-I442 PolarHBondContact O-N 3.07Å; D439-V443 VanDerWaalsContact O-CG2 3.24Å; D439-V443 WeakPolarHBondContact O-CG2 3.21Å; D439-V443 PolarHBondContact O-N 3.06Å
440	K	93.4	Very high	93.7	Very high	62 Å²	62	61.4 Å²	61.4	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-40.6	173.2	-72.3	175.8	-173	164.7	0	111.4	M432 D433 L435 S436 E437 E438 V443 S444	M432-K440 WeakPolarHBondContact O-CE 3.24Å; D433-K440 PolarHBondContact O-NZ 2.72Å; L435-K440 HydrophobicContact CB-CG 3.89Å; L435-K440 WeakPolarHBondContact O-CE 3.47Å; S436-K440 WeakPolarHBondContact O-CG 3.42Å; S436-K440 PolarHBondContact O-N 2.88Å; E437-K440 IonicContact OE1-NZ 3.46Å; E437-K440 PolarHBondContact OE1-NZ 3.42Å; E438-K440 VanDerWaalsContact C-N 3.35Å; E438-K440 PolarHBondContact O-N 2.68Å; K440-V443 PolarHBondContact O-N 2.85Å; K440-S444 WeakPolarHBondContact O-CB 3.47Å; K440-S444 PolarHBondContact O-N 2.71Å
441	L	93.5	Very high	93.9	Very high	75 Å²	75	58.7 Å²	58.7	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-43.5	175.7	-174.3	66	0	0	0	111.5	E437 E438 D439 V443 S444 R445	E437-L441 PolarHBondContact O-N 3.16Å; E437-L441 VanDerWaalsContact O-N 3.1Å; E438-L441 WeakPolarHBondContact O-CB 3.45Å; E438-L441 PolarHBondContact O-N 2.92Å; D439-L441 VanDerWaalsContact C-N 3.28Å; D439-L441 PolarHBondContact O-N 3.13Å; L441-V443 PolarHBondContact O-N 3.17Å; L441-S444 PolarHBondContact O-N 2.96Å; L441-R445 WeakPolarHBondContact O-CG 3.24Å; L441-R445 PolarHBondContact O-N 3.3Å
442	I	94	Very high	94.1	Very high	46 Å²	46	57.4 Å²	57.4	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-47.7	175.1	-68.5	169.6	0	0	0	110.4	I416 D419 L423 E438 D439 S444 R445 A446	I416-I442 HydrophobicContact CG2-CG2 4.42Å; D419-I442 HydrophobicContact CB-CG2 4.06Å; L423-I442 HydrophobicContact CD1-CG2 4.4Å; E438-I442 WeakPolarHBondContact O-CG1 3.39Å; E438-I442 PolarHBondContact O-N 3.28Å; D439-I442 PolarHBondContact O-N 3.07Å; I442-S444 PolarHBondContact O-N 3.47Å; I442-R445 PolarHBondContact O-N 3Å; I442-A446 WeakPolarHBondContact O-CB 3.48Å; I442-A446 PolarHBondContact O-N 3.09Å
443	V	95.2	Very high	94.4	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-44.8	178	172.1	0	0	0	0	111.1	Y420 L423 I427 L435 D439 K440 L441 A446 R447	Y420-V443 HydrophobicContact CD2-CB 4.39Å; Y420-V443 HydrophobicContact CD2-CG1 4.21Å; Y420-V443 HydrophobicContact CD2-CG2 4.09Å; Y420-V443 HydrophobicContact CE2-CG1 3.98Å; L423-V443 HydrophobicContact CB-CG2 4.45Å; L423-V443 HydrophobicContact CD1-CG2 3.89Å; I427-V443 HydrophobicContact CD1-CG1 4.25Å; I427-V443 HydrophobicContact CD1-CG2 3.8Å; L435-V443 HydrophobicContact CD1-CG2 3.96Å; D439-V443 VanDerWaalsContact O-CG2 3.24Å; D439-V443 WeakPolarHBondContact O-CG2 3.21Å; D439-V443 PolarHBondContact O-N 3.06Å; K440-V443 PolarHBondContact O-N 2.85Å; L441-V443 PolarHBondContact O-N 3.17Å; V443-A446 PolarHBondContact O-N 3.27Å; V443-R447 WeakPolarHBondContact O-CG 3.4Å; V443-R447 PolarHBondContact O-N 3.08Å
444	S	94.6	Very high	94.6	Very high	35 Å²	35	47.2 Å²	47.2	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-47.3	178.5	-174.2	0	0	0	0	111.8	K440 L441 I442 R447 K448	K440-S444 WeakPolarHBondContact O-CB 3.47Å; K440-S444 PolarHBondContact O-N 2.71Å; L441-S444 PolarHBondContact O-N 2.96Å; I442-S444 PolarHBondContact O-N 3.47Å; S444-R447 PolarHBondContact O-N 2.84Å; S444-K448 WeakPolarHBondContact O-CG 3.11Å; S444-K448 PolarHBondContact O-N 2.73Å
445	R	95.5	Very high	94.8	Very high	49 Å²	49	40.7 Å²	40.7	19%	0.185	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-43.2	176.8	-72.2	-176.4	-178.6	175.3	4.9	111.8	L441 I442 R447 K448 I449 L484 D489	L441-R445 WeakPolarHBondContact O-CG 3.24Å; L441-R445 PolarHBondContact O-N 3.3Å; I442-R445 PolarHBondContact O-N 3Å; R445-R447 PolarHBondContact O-N 3.28Å; R445-K448 WeakPolarHBondContact O-CB 3.35Å; R445-K448 PolarHBondContact O-N 3.24Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.4Å; R445-I449 PolarHBondContact O-N 3.4Å; R445-L484 PolarHBondContact NH1-O 3.17Å; R445-D489 WeakPolarHBondContact CG-OD1 3.24Å; R445-D489 IonicContact CZ-OD1 3.23Å; R445-D489 IonicContact CZ-OD2 3.93Å; R445-D489 VanDerWaalsContact CZ-OD2 3.29Å; R445-D489 IonicContact NE-OD1 3.56Å; R445-D489 PolarHBondContact NE-OD1 3.38Å; R445-D489 IonicContact NE-OD2 3.29Å; R445-D489 PolarHBondContact NE-OD2 2.73Å; R445-D489 IonicContact NH2-OD2 3.03Å; R445-D489 PolarHBondContact NH2-OD2 3.45Å
446	A	95.8	Very high	94.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-44.3	178.7	0	0	0	0	0	112	I416 Y420 I442 V443 K448 I449 Q450	I416-A446 HydrophobicContact CG2-CB 3.7Å; Y420-A446 HydrophobicContact CD1-CB 3.88Å; Y420-A446 HydrophobicContact CD2-CB 4.12Å; Y420-A446 HydrophobicContact CG-CB 3.51Å; I442-A446 WeakPolarHBondContact O-CB 3.48Å; I442-A446 PolarHBondContact O-N 3.09Å; V443-A446 PolarHBondContact O-N 3.27Å; A446-K448 PolarHBondContact O-N 3.22Å; A446-I449 PolarHBondContact O-N 2.8Å; A446-Q450 VanDerWaalsContact O-CB 3.27Å; A446-Q450 WeakPolarHBondContact O-CB 3.46Å; A446-Q450 PolarHBondContact O-N 2.92Å
447	R	94.9	Very high	94.8	Very high	69 Å²	69	38 Å²	38	26%	0.26	18%	0.179	S	C	.	.	H	α-helix	trans	-61.7	-41.9	175.5	-74.3	-178.9	176.2	-179.6	2.6	112.3	V443 S444 R445 Q450 R451 E493	V443-R447 WeakPolarHBondContact O-CG 3.4Å; V443-R447 PolarHBondContact O-N 3.08Å; S444-R447 PolarHBondContact O-N 2.84Å; R445-R447 PolarHBondContact O-N 3.28Å; R447-Q450 PolarHBondContact O-N 2.7Å; R447-R451 VanDerWaalsContact O-CG 3.27Å; R447-R451 WeakPolarHBondContact O-CG 3.33Å; R447-R451 PolarHBondContact O-N 2.83Å; R447-E493 HydrophobicContact CB-CG 4.36Å; R447-E493 WeakPolarHBondContact CD-OE1 3.29Å; R447-E493 WeakPolarHBondContact CD-OE2 3.47Å; R447-E493 IonicContact NH1-OE1 3.7Å
448	K	96.1	Very high	94.6	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-47.1	175.8	-69.3	171.8	-177.8	-176.2	0	111.9	S444 R445 A446 Q450 R451 F452 Y488 D489 L491 E493 F496	S444-K448 WeakPolarHBondContact O-CG 3.11Å; S444-K448 PolarHBondContact O-N 2.73Å; R445-K448 WeakPolarHBondContact O-CB 3.35Å; R445-K448 PolarHBondContact O-N 3.24Å; A446-K448 PolarHBondContact O-N 3.22Å; K448-Q450 PolarHBondContact O-N 2.94Å; K448-R451 PolarHBondContact O-N 3.37Å; K448-F452 VanDerWaalsContact O-CB 3.26Å; K448-F452 WeakPolarHBondContact O-CB 3.39Å; K448-F452 PolarHBondContact O-N 3.38Å; K448-Y488 PolarHBondContact NZ-O 3.02Å; K448-Y488 VanDerWaalsContact NZ-O 3.11Å; K448-D489 VanDerWaalsContact NZ-CA 3.3Å; K448-D489 PolarHBondContact NZ-O 3.39Å; K448-L491 WeakPolarHBondContact CE-O 3.5Å; K448-L491 PolarHBondContact NZ-O 3.25Å; K448-E493 HydrophobicContact CG-CG 4.17Å; K448-F496 HydrophobicContact CB-CD1 4.48Å; K448-F496 HydrophobicContact CB-CD2 3.98Å; K448-F496 HydrophobicContact CB-CE2 4.07Å; K448-F496 HydrophobicContact CB-CG 4.18Å; K448-F496 HydrophobicContact CB-CZ 4.34Å; K448-F496 HydrophobicContact CD-CD2 4.29Å; K448-F496 HydrophobicContact CD-CE2 3.7Å; K448-F496 HydrophobicContact CD-CZ 4.11Å; K448-F496 HydrophobicContact CG-CD2 3.82Å; K448-F496 HydrophobicContact CG-CE2 3.76Å; K448-F496 HydrophobicContact CG-CZ 4.39Å
449	I	96.4	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-49.4	175	-69.4	172	0	0	0	110	V413 I416 L417 R445 A446 R451 F452 L453 F480 I483 L484	V413-I449 HydrophobicContact CG1-CG2 3.65Å; I416-I449 HydrophobicContact CB-CD1 4.33Å; I416-I449 HydrophobicContact CD1-CD1 4.13Å; I416-I449 HydrophobicContact CG2-CD1 4.02Å; L417-I449 HydrophobicContact CD1-CG2 4.11Å; L417-I449 HydrophobicContact CD2-CG2 4.17Å; L417-I449 HydrophobicContact CG-CG2 4.21Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.4Å; R445-I449 PolarHBondContact O-N 3.4Å; A446-I449 PolarHBondContact O-N 2.8Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.41Å; I449-F452 PolarHBondContact O-N 2.94Å; I449-L453 WeakPolarHBondContact O-CG 3.5Å; I449-L453 PolarHBondContact O-N 2.94Å; I449-F480 HydrophobicContact CG2-CD1 4.33Å; I449-F480 HydrophobicContact CG2-CE1 3.95Å; I449-I483 HydrophobicContact CD1-CG2 4.21Å; I449-I483 HydrophobicContact CG1-CG2 3.6Å; I449-L484 HydrophobicContact CD1-CD2 4.1Å
450	Q	95.3	Very high	93.7	Very high	30 Å²	30	26.8 Å²	26.8	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-42	-179.4	-163.1	-169.2	25.2	0	0	111.5	I383 L417 A446 R447 K448	I383-Q450 HydrophobicContact CD1-CG 3.74Å; L417-Q450 HydrophobicContact CD2-CB 4.36Å; A446-Q450 VanDerWaalsContact O-CB 3.27Å; A446-Q450 WeakPolarHBondContact O-CB 3.46Å; A446-Q450 PolarHBondContact O-N 2.92Å; R447-Q450 PolarHBondContact O-N 2.7Å; K448-Q450 PolarHBondContact O-N 2.94Å
451	R	95.7	Very high	93.4	Very high	53 Å²	53	27.9 Å²	27.9	20%	0.2	13%	0.134	C	C	.	.	H	α-helix	trans	-70.2	-39.4	174.2	-65.7	-68.1	176.2	-164	-2.6	111.9	L381 I383 R447 K448 I449 L453 S454 F496	L381-R451 PolarHBondContact O-NH1 3.38Å; I383-R451 VanDerWaalsContact CG1-NH1 3.33Å; R447-R451 VanDerWaalsContact O-CG 3.27Å; R447-R451 WeakPolarHBondContact O-CG 3.33Å; R447-R451 PolarHBondContact O-N 2.83Å; K448-R451 PolarHBondContact O-N 3.37Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.41Å; R451-L453 PolarHBondContact O-N 3.33Å; R451-S454 VanDerWaalsContact O-CB 3.25Å; R451-S454 WeakPolarHBondContact O-CB 3.46Å; R451-S454 PolarHBondContact O-N 2.83Å; R451-S454 PolarHBondContact O-OG 3.49Å; R451-F496 CarbonylContact C-O 3.6Å; R451-F496 VanDerWaalsContact C-O 3.25Å; R451-F496 HydrophobicContact CB-CB 4.05Å
452	F	97	Very high	92.5	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-22.2	-179.4	-167.3	-125.7	0	0	0	113.7	K177 K448 I449 S454 F480 I483 F496 V499 I502 V505	K177-F452 HydrophobicContact CD-CE1 4.47Å; K177-F452 HydrophobicContact CD-CZ 4.29Å; K177-F452 VanDerWaalsContact CE-O 3.22Å; K177-F452 WeakPolarHBondContact CE-O 3.46Å; K177-F452 PolarHBondContact NZ-O 3.26Å; K448-F452 VanDerWaalsContact O-CB 3.26Å; K448-F452 WeakPolarHBondContact O-CB 3.39Å; K448-F452 PolarHBondContact O-N 3.38Å; I449-F452 PolarHBondContact O-N 2.94Å; F452-S454 PolarHBondContact O-N 3.45Å; F452-F480 HydrophobicContact CB-CE1 4.47Å; F452-F480 HydrophobicContact CB-CZ 4.46Å; F452-F480 HydrophobicContact CD1-CD1 4.08Å; F452-F480 HydrophobicContact CD1-CD2 4.08Å; F452-F480 AromaticContact CD1-CE1 3.65Å; F452-F480 HydrophobicContact CD1-CE1 3.65Å; F452-F480 AromaticContact CD1-CE2 3.66Å; F452-F480 HydrophobicContact CD1-CE2 3.66Å; F452-F480 HydrophobicContact CD1-CG 4.29Å; F452-F480 AromaticContact CD1-CZ 3.41Å; F452-F480 HydrophobicContact CD1-CZ 3.41Å; F452-F480 VanDerWaalsContact CD1-CZ 3.41Å; F452-F480 AromaticContact CE1-CD2 3.94Å; F452-F480 HydrophobicContact CE1-CD2 3.94Å; F452-F480 HydrophobicContact CE1-CE1 4.45Å; F452-F480 AromaticContact CE1-CE2 3.75Å; F452-F480 HydrophobicContact CE1-CE2 3.75Å; F452-F480 HydrophobicContact CE1-CG 4.38Å; F452-F480 HydrophobicContact CE1-CZ 4.01Å; F452-F480 HydrophobicContact CG-CZ 4.28Å; F452-I483 HydrophobicContact CB-CD1 4.24Å; F452-I483 HydrophobicContact CD1-CD1 3.45Å; F452-I483 VanDerWaalsContact CD1-CD1 3.45Å; F452-I483 HydrophobicContact CE1-CD1 3.95Å; F452-I483 HydrophobicContact CG-CD1 3.9Å; F452-F496 WeakPolarHBondContact CA-O 3.39Å; F452-F496 HydrophobicContact CB-CB 4.11Å; F452-F496 HydrophobicContact CB-CD1 3.92Å; F452-F496 HydrophobicContact CB-CG 4.47Å; F452-F496 AromaticContact CD2-CD1 3.95Å; F452-F496 HydrophobicContact CD2-CD1 3.95Å; F452-F496 HydrophobicContact CG-CD1 4.03Å; F452-F496 PolarHBondContact N-O 2.85Å; F452-V499 HydrophobicContact CD2-CG2 4.04Å; F452-V499 HydrophobicContact CE2-CG2 4.12Å; F452-I502 HydrophobicContact CE1-CD1 4.32Å; F452-I502 HydrophobicContact CE2-CD1 4.2Å; F452-I502 HydrophobicContact CZ-CB 4.27Å; F452-I502 HydrophobicContact CZ-CD1 3.95Å; F452-V505 HydrophobicContact CD2-CG2 3.95Å; F452-V505 HydrophobicContact CE2-CG2 3.72Å
453	L	96.3	Very high	91.6	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	169.4	-69.1	168.5	0	0	0	112.7	V178 L182 P389 L417 I449 R451 F480	V178-L453 HydrophobicContact CB-CB 4.34Å; V178-L453 HydrophobicContact CB-CD2 3.8Å; V178-L453 HydrophobicContact CG2-CD2 3.91Å; L182-L453 HydrophobicContact CD1-CD1 4.45Å; L182-L453 HydrophobicContact CD1-CD2 4.18Å; P389-L453 HydrophobicContact CB-CD1 4.03Å; P389-L453 HydrophobicContact CG-CD1 4.23Å; L417-L453 HydrophobicContact CD1-CD1 4.26Å; I449-L453 WeakPolarHBondContact O-CG 3.5Å; I449-L453 PolarHBondContact O-N 2.94Å; R451-L453 PolarHBondContact O-N 3.33Å; L453-F480 HydrophobicContact CD2-CE1 3.88Å; L453-F480 HydrophobicContact CD2-CE2 4.35Å; L453-F480 HydrophobicContact CD2-CZ 3.45Å; L453-F480 VanDerWaalsContact CD2-CZ 3.45Å; L453-F480 HydrophobicContact CG-CE1 4.17Å; L453-F480 HydrophobicContact CG-CZ 3.98Å
454	S	95.4	Very high	90.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.			trans	-69.9	149.3	171.3	70.9	0	0	0	0	111.9	K177 Y384 R451 F452 M498	K177-S454 WeakPolarHBondContact CE-O 3.47Å; K177-S454 PolarHBondContact NZ-O 2.88Å; Y384-S454 VanDerWaalsContact O-CA 3.27Å; Y384-S454 WeakPolarHBondContact O-CA 3.41Å; Y384-S454 WeakPolarHBondContact O-CB 3.39Å; R451-S454 VanDerWaalsContact O-CB 3.25Å; R451-S454 WeakPolarHBondContact O-CB 3.46Å; R451-S454 PolarHBondContact O-N 2.83Å; R451-S454 PolarHBondContact O-OG 3.49Å; F452-S454 PolarHBondContact O-N 3.45Å; S454-M498 PolarHBondContact OG-N 3.42Å
455	Q	95.2	Very high	90.4	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	20%	0.203	C	C	.	.			trans	-151.6	131.9	-177.7	-176	175.1	-31	0	0	110.3	G175 Y384 F457 K469	G175-Q455 PolarHBondContact O-NE2 2.93Å; Y384-Q455 PolarHBondContact O-N 2.85Å; Q455-F457 HydrophobicContact CB-CE1 4.4Å; Q455-F457 HydrophobicContact CG-CD1 4.47Å; Q455-F457 PolarHBondContact O-N 3.4Å; Q455-K469 PolarHBondContact NE2-O 2.8Å
456	P	94.1	Very high	89.9	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.026	21%	0.214	C	C	.	.			trans	-71.2	119.6	172	29.3	-32.4	0	0	0	109.8	H466 G468 K469 M498	P456-H466 HydrophobicContact CB-CB 3.95Å; P456-G468 WeakPolarHBondContact O-CA 3.33Å; P456-K469 HydrophobicContact CG-CB 4.21Å; P456-K469 HydrophobicContact CG-CG 3.81Å; P456-K469 PolarHBondContact O-N 3.2Å; P456-M498 HydrophobicContact CB-CE 3.92Å
457	F	92.9	Very high	89.6	Confident	11 Å²	11	42.8 Å²	42.8	5%	0.048	24%	0.235	C	C	.	.			trans	-84.5	145.2	176.2	-72.8	-10	0	0	0	111.6	I176 V203 L204 E207 P385 Q455 V459 A460 E461	I176-F457 HydrophobicContact CD1-CE1 4.13Å; I176-F457 HydrophobicContact CD1-CZ 3.89Å; I176-F457 HydrophobicContact CG1-CE1 4.02Å; I176-F457 HydrophobicContact CG1-CZ 4.26Å; I176-F457 HydrophobicContact CG2-CE1 4.09Å; I176-F457 HydrophobicContact CG2-CZ 4.13Å; V203-F457 HydrophobicContact CG1-CD2 4.07Å; L204-F457 HydrophobicContact CB-CE2 4.49Å; L204-F457 HydrophobicContact CD1-CE2 3.9Å; L204-F457 HydrophobicContact CD1-CZ 3.77Å; E207-F457 HydrophobicContact CB-CB 4.35Å; E207-F457 HydrophobicContact CB-CD1 4.41Å; E207-F457 HydrophobicContact CB-CD2 3.73Å; E207-F457 HydrophobicContact CB-CE2 4.01Å; E207-F457 HydrophobicContact CB-CG 3.94Å; E207-F457 HydrophobicContact CB-CZ 4.44Å; E207-F457 HydrophobicContact CG-CB 3.99Å; E207-F457 HydrophobicContact CG-CD1 3.65Å; E207-F457 HydrophobicContact CG-CD2 3.89Å; E207-F457 HydrophobicContact CG-CE1 3.98Å; E207-F457 HydrophobicContact CG-CE2 4.21Å; E207-F457 HydrophobicContact CG-CG 3.58Å; E207-F457 HydrophobicContact CG-CZ 4.24Å; P385-F457 HydrophobicContact CB-CE2 3.97Å; P385-F457 HydrophobicContact CB-CZ 3.68Å; P385-F457 HydrophobicContact CG-CE1 4.23Å; P385-F457 HydrophobicContact CG-CE2 4.39Å; P385-F457 HydrophobicContact CG-CZ 3.62Å; Q455-F457 HydrophobicContact CB-CE1 4.4Å; Q455-F457 HydrophobicContact CG-CD1 4.47Å; Q455-F457 PolarHBondContact O-N 3.4Å; F457-V459 HydrophobicContact CB-CG2 4.31Å; F457-A460 HydrophobicContact CB-CB 3.95Å; F457-A460 PolarHBondContact O-N 3.41Å; F457-E461 PolarHBondContact O-N 3.17Å
458	Q	88.4	Confident	89.4	Confident	77 Å²	77	40.5 Å²	40.5	36%	0.36	23%	0.233	S	C	.	.	S	Bend	trans	-68.7	-39.5	179.9	-170.8	166.6	20.4	0	0	111.9	E207 N210 A460 E461	E207-Q458 PolarHBondContact OE1-N 3.14Å; E207-Q458 VanDerWaalsContact OE1-N 3.15Å; E207-Q458 PolarHBondContact OE2-N 3.38Å; N210-Q458 PolarHBondContact ND2-OE1 2.95Å; N210-Q458 VanDerWaalsContact ND2-OE1 3.13Å; Q458-A460 PolarHBondContact O-N 2.87Å; Q458-E461 WeakPolarHBondContact O-CB 3.35Å; Q458-E461 PolarHBondContact O-N 3.43Å
459	V	83.8	Confident	89.2	Confident	17 Å²	17	43.8 Å²	43.8	10%	0.103	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.1	175.3	-58	0	0	0	0	112.5	V203 M206 E207 N210 F457	V203-V459 HydrophobicContact CG1-CG2 3.94Å; M206-V459 HydrophobicContact CB-CB 4.24Å; M206-V459 HydrophobicContact CB-CG1 4.09Å; M206-V459 HydrophobicContact CB-CG2 4.01Å; E207-V459 HydrophobicContact CB-CG2 4.01Å; E207-V459 WeakPolarHBondContact OE2-CG2 3.45Å; E207-V459 PolarHBondContact OE2-N 3.48Å; E207-V459 VanDerWaalsContact OE2-N 3.13Å; N210-V459 HydrophobicContact CB-CG1 4Å; F457-V459 HydrophobicContact CB-CG2 4.31Å
460	A	85.1	Confident	88.9	Confident	11 Å²	11	47.9 Å²	47.9	9%	0.091	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.3	-180	0	0	0	0	0	113.8	V203 F457 Q458 V462 F463 T464	V203-A460 HydrophobicContact CG1-CB 4.06Å; F457-A460 HydrophobicContact CB-CB 3.95Å; F457-A460 PolarHBondContact O-N 3.41Å; Q458-A460 PolarHBondContact O-N 2.87Å; A460-V462 PolarHBondContact O-N 3.3Å; A460-F463 PolarHBondContact O-N 2.88Å; A460-F463 VanDerWaalsContact O-N 3.07Å; A460-T464 HydrophobicContact CB-CG2 4.2Å; A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 WeakPolarHBondContact O-CG2 3.27Å; A460-T464 PolarHBondContact O-N 2.93Å; A460-T464 PolarHBondContact O-OG1 2.86Å
461	E	85.3	Confident	88.9	Confident	86 Å²	86	46.5 Å²	46.5	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-36.9	-178.7	-178	167.9	174.5	0	0	111.7	F457 Q458 F463 G465 H466	F457-E461 PolarHBondContact O-N 3.17Å; Q458-E461 WeakPolarHBondContact O-CB 3.35Å; Q458-E461 PolarHBondContact O-N 3.43Å; E461-F463 VanDerWaalsContact C-N 3.26Å; E461-F463 PolarHBondContact O-N 3.37Å; E461-G465 WeakPolarHBondContact O-CA 3.5Å; E461-G465 PolarHBondContact O-N 2.89Å; E461-H466 WeakPolarHBondContact CG-O 3.09Å
462	V	76.3	Confident	88.8	Confident	121 Å²	121	46.4 Å²	46.4	73%	0.733	27%	0.269	S	S	*	.	H	α-helix	trans	-62.4	-33.2	177.5	-174	0	0	0	0	112.2	A460	A460-V462 PolarHBondContact O-N 3.3Å
463	F	75.3	Confident	88.7	Confident	138 Å²	138	48 Å²	48	61%	0.605	28%	0.277	S	S	*	.	H	α-helix	trans	-92	-36	-178.1	-54.2	-68.3	0	0	0	112.9	A460 E461	A460-F463 PolarHBondContact O-N 2.88Å; A460-F463 VanDerWaalsContact O-N 3.07Å; E461-F463 VanDerWaalsContact C-N 3.26Å; E461-F463 PolarHBondContact O-N 3.37Å
464	T	80.6	Confident	88.6	Confident	55 Å²	55	55.9 Å²	55.9	34%	0.337	31%	0.311	S	S	.	.	H	α-helix	trans	-94.9	-22.5	-172.8	62	0	0	0	0	113.2	A460 H466 M498	A460-T464 HydrophobicContact CB-CG2 4.2Å; A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 WeakPolarHBondContact O-CG2 3.27Å; A460-T464 PolarHBondContact O-N 2.93Å; A460-T464 PolarHBondContact O-OG1 2.86Å; T464-H466 PolarHBondContact O-N 3.01Å; T464-H466 PolarHBondContact OG1-N 3.04Å; T464-M498 HydrophobicContact CG2-CE 4.2Å
465	G	82.5	Confident	88.6	Confident	67 Å²	67	59.4 Å²	59.4	69%	0.691	33%	0.328	S	S	*	.			trans	68	3.9	-171.9	0	0	0	0	0	114.2	E461	E461-G465 WeakPolarHBondContact O-CA 3.5Å; E461-G465 PolarHBondContact O-N 2.89Å
466	H	85.1	Confident	88.7	Confident	88 Å²	88	59.3 Å²	59.3	41%	0.407	33%	0.327	S	S	.	.	S	Bend	trans	-98.5	131.6	176.8	-66.4	-57.3	0	0	0	109.9	P456 E461 T464 G468	P456-H466 HydrophobicContact CB-CB 3.95Å; E461-H466 WeakPolarHBondContact CG-O 3.09Å; T464-H466 PolarHBondContact O-N 3.01Å; T464-H466 PolarHBondContact OG1-N 3.04Å; H466-G468 PolarHBondContact O-N 3.16Å
467	A	89.6	Confident	88.8	Confident	55 Å²	55	60 Å²	60	46%	0.455	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.3	129.2	175.6	0	0	0	0	0	110.5
468	G	90.6	Very high	88.9	Confident	21 Å²	21	61.5 Å²	61.5	22%	0.216	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-60.7	143.5	178.7	0	0	0	0	0	112.9	P456 H466	P456-G468 WeakPolarHBondContact O-CA 3.33Å; H466-G468 PolarHBondContact O-N 3.16Å
469	K	91.8	Very high	89.3	Confident	72 Å²	72	57.9 Å²	57.9	31%	0.313	33%	0.325	S	S	.	.			trans	-124.5	126.6	-179.8	-61.2	-67.3	179.4	157.9	0	110	Q455 P456 E504	Q455-K469 PolarHBondContact NE2-O 2.8Å; P456-K469 HydrophobicContact CG-CB 4.21Å; P456-K469 HydrophobicContact CG-CG 3.81Å; P456-K469 PolarHBondContact O-N 3.2Å; K469-E504 WeakPolarHBondContact CD-OE1 3.42Å; K469-E504 WeakPolarHBondContact CE-OE1 3.25Å; K469-E504 IonicContact NZ-OE1 3.92Å; K469-E504 PolarHBondContact NZ-OE1 2.88Å; K469-E504 IonicContact NZ-OE2 3.04Å
470	L	91.5	Very high	89.9	Confident	87 Å²	87	57 Å²	57	46%	0.455	32%	0.32	S	S	.	.			trans	-98.4	115.5	169.8	-174.1	146.9	0	0	0	107.7	N211	N211-L470 HydrophobicContact CB-CD1 4.05Å
471	V	94.2	Very high	90.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.			trans	-102.4	119.7	-172.9	-172.5	0	0	0	0	109.9	G175 K177 E475 T476 P501	G175-V471 WeakPolarHBondContact CA-O 3.28Å; G175-V471 PolarHBondContact O-N 2.78Å; K177-V471 HydrophobicContact CD-CB 4.5Å; K177-V471 HydrophobicContact CD-CG1 4.26Å; K177-V471 HydrophobicContact CD-CG2 4.19Å; K177-V471 HydrophobicContact CG-CB 3.92Å; K177-V471 HydrophobicContact CG-CG1 3.92Å; K177-V471 HydrophobicContact CG-CG2 4.01Å; V471-E475 HydrophobicContact CG1-CB 4.36Å; V471-T476 WeakPolarHBondContact CG1-OG1 3.43Å; V471-P501 HydrophobicContact CG1-CB 4.42Å
472	P	94.5	Very high	90.9	Very high	52 Å²	52	56.7 Å²	56.7	34%	0.338	32%	0.319	S	S	.	.			trans	-61	148.5	174.5	-23.6	34.2	0	0	0	112.9	K474 E475 T476	P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 PolarHBondContact O-N 2.96Å; P472-E475 HydrophobicContact CB-CG 4.36Å; P472-E475 WeakPolarHBondContact CD-OE2 3.32Å; P472-E475 HydrophobicContact CG-CG 4.4Å; P472-E475 PolarHBondContact O-N 3.37Å; P472-T476 PolarHBondContact O-N 3.13Å; P472-T476 PolarHBondContact O-OG1 2.63Å
473	L	94.1	Very high	91.8	Very high	34 Å²	34	51 Å²	51	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-43.2	178.7	176.5	62.8	0	0	0	112.4	I171 V173 D180 E475 T476 I477	I171-L473 HydrophobicContact CD1-CD2 4.4Å; V173-L473 HydrophobicContact CG1-CB 4.32Å; V173-L473 HydrophobicContact CG2-CB 4.49Å; V173-L473 HydrophobicContact CG2-CD2 4.44Å; D180-L473 HydrophobicContact CB-CD1 4.01Å; L473-E475 PolarHBondContact O-N 2.82Å; L473-T476 WeakPolarHBondContact O-CB 3.39Å; L473-T476 PolarHBondContact O-N 3.03Å; L473-I477 HydrophobicContact CD1-CD1 4Å; L473-I477 HydrophobicContact CD1-CG1 4.24Å; L473-I477 HydrophobicContact CG-CD1 3.93Å; L473-I477 WeakPolarHBondContact O-CG1 3.33Å; L473-I477 PolarHBondContact O-N 3.25Å
474	K	95.4	Very high	92.7	Very high	175 Å²	175	46 Å²	46	76%	0.761	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-43.4	-179.2	-172.7	179.4	178.5	-177	0	112.4	P472 T476 I477 S478	P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 PolarHBondContact O-N 2.96Å; K474-T476 VanDerWaalsContact C-N 3.3Å; K474-I477 PolarHBondContact O-N 3.29Å; K474-S478 PolarHBondContact O-N 3.03Å; K474-S478 PolarHBondContact O-OG 3.32Å
475	E	95.3	Very high	93.3	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-33.8	177.5	-67.9	177.3	-162.8	0	0	111.6	V471 P472 L473 S478 G479 P501	V471-E475 HydrophobicContact CG1-CB 4.36Å; P472-E475 HydrophobicContact CB-CG 4.36Å; P472-E475 WeakPolarHBondContact CD-OE2 3.32Å; P472-E475 HydrophobicContact CG-CG 4.4Å; P472-E475 PolarHBondContact O-N 3.37Å; L473-E475 PolarHBondContact O-N 2.82Å; E475-S478 WeakPolarHBondContact CA-OG 3.41Å; E475-S478 PolarHBondContact O-OG 3.32Å; E475-G479 PolarHBondContact O-N 3.06Å; E475-P501 HydrophobicContact CB-CB 4.32Å; E475-P501 WeakPolarHBondContact OE2-CB 3.48Å
476	T	95.8	Very high	93.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-53.7	172.7	-54.9	0	0	0	0	110.2	K177 L181 V471 P472 L473 K474 S478 G479 F480	K177-T476 HydrophobicContact CB-CG2 4.06Å; K177-T476 HydrophobicContact CG-CG2 4.06Å; L181-T476 HydrophobicContact CB-CG2 4.03Å; V471-T476 WeakPolarHBondContact CG1-OG1 3.43Å; P472-T476 PolarHBondContact O-N 3.13Å; P472-T476 PolarHBondContact O-OG1 2.63Å; L473-T476 WeakPolarHBondContact O-CB 3.39Å; L473-T476 PolarHBondContact O-N 3.03Å; K474-T476 VanDerWaalsContact C-N 3.3Å; T476-S478 PolarHBondContact O-N 2.79Å; T476-G479 PolarHBondContact O-N 3.21Å; T476-F480 HydrophobicContact CG2-CD2 3.89Å; T476-F480 HydrophobicContact CG2-CE2 3.91Å; T476-F480 VanDerWaalsContact O-CD2 3.27Å; T476-F480 WeakPolarHBondContact O-CD2 3.45Å; T476-F480 PolarHBondContact O-N 2.83Å
477	I	96.3	Very high	94.2	Very high	18 Å²	18	47 Å²	47	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-49.6	-178.4	-64.3	164.1	0	0	0	110.8	E405 H406 V409 L473 K474 G479 F480 Q481	E405-I477 HydrophobicContact CG-CG2 4.03Å; H406-I477 HydrophobicContact CB-CD1 3.74Å; H406-I477 HydrophobicContact CB-CG1 4.35Å; V409-I477 HydrophobicContact CB-CG2 4.5Å; V409-I477 HydrophobicContact CG2-CG2 4.14Å; L473-I477 HydrophobicContact CD1-CD1 4Å; L473-I477 HydrophobicContact CD1-CG1 4.24Å; L473-I477 HydrophobicContact CG-CD1 3.93Å; L473-I477 WeakPolarHBondContact O-CG1 3.33Å; L473-I477 PolarHBondContact O-N 3.25Å; K474-I477 PolarHBondContact O-N 3.29Å; I477-G479 VanDerWaalsContact C-N 3.35Å; I477-G479 PolarHBondContact O-N 2.84Å; I477-F480 PolarHBondContact O-N 3.01Å; I477-Q481 VanDerWaalsContact O-CB 3.31Å; I477-Q481 WeakPolarHBondContact O-CB 3.49Å; I477-Q481 PolarHBondContact O-N 2.8Å
478	S	96.1	Very high	94.4	Very high	43 Å²	43	46.8 Å²	46.8	30%	0.301	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-40.9	-179.8	60.1	0	0	0	0	112.3	K474 E475 T476 Q481 S482	K474-S478 PolarHBondContact O-N 3.03Å; K474-S478 PolarHBondContact O-OG 3.32Å; E475-S478 WeakPolarHBondContact CA-OG 3.41Å; E475-S478 PolarHBondContact O-OG 3.32Å; T476-S478 PolarHBondContact O-N 2.79Å; S478-Q481 PolarHBondContact O-N 2.94Å; S478-S482 PolarHBondContact O-N 3.08Å; S478-S482 PolarHBondContact O-OG 3.08Å
479	G	95.4	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-46.8	178.6	0	0	0	0	0	112.6	E475 T476 I477 I483	E475-G479 PolarHBondContact O-N 3.06Å; T476-G479 PolarHBondContact O-N 3.21Å; I477-G479 VanDerWaalsContact C-N 3.35Å; I477-G479 PolarHBondContact O-N 2.84Å; G479-I483 WeakPolarHBondContact O-CG1 3.5Å; G479-I483 PolarHBondContact O-N 2.91Å
480	F	96.8	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-36.4	176.3	-79.9	-81	0	0	0	112.2	K177 L181 V409 V413 I449 F452 L453 T476 I477 I483 L484	K177-F480 HydrophobicContact CB-CE2 4.37Å; L181-F480 HydrophobicContact CD2-CB 4.09Å; L181-F480 HydrophobicContact CD2-CD1 3.9Å; L181-F480 HydrophobicContact CD2-CD2 3.49Å; L181-F480 VanDerWaalsContact CD2-CD2 3.49Å; L181-F480 HydrophobicContact CD2-CE1 4.19Å; L181-F480 HydrophobicContact CD2-CE2 3.82Å; L181-F480 HydrophobicContact CD2-CG 3.54Å; L181-F480 HydrophobicContact CD2-CZ 4.16Å; V409-F480 HydrophobicContact CG1-CB 3.71Å; V413-F480 HydrophobicContact CG2-CB 4.15Å; V413-F480 HydrophobicContact CG2-CD1 3.73Å; V413-F480 HydrophobicContact CG2-CG 4.25Å; I449-F480 HydrophobicContact CG2-CD1 4.33Å; I449-F480 HydrophobicContact CG2-CE1 3.95Å; F452-F480 HydrophobicContact CB-CE1 4.47Å; F452-F480 HydrophobicContact CB-CZ 4.46Å; F452-F480 HydrophobicContact CD1-CD1 4.08Å; F452-F480 HydrophobicContact CD1-CD2 4.08Å; F452-F480 AromaticContact CD1-CE1 3.65Å; F452-F480 HydrophobicContact CD1-CE1 3.65Å; F452-F480 AromaticContact CD1-CE2 3.66Å; F452-F480 HydrophobicContact CD1-CE2 3.66Å; F452-F480 HydrophobicContact CD1-CG 4.29Å; F452-F480 AromaticContact CD1-CZ 3.41Å; F452-F480 HydrophobicContact CD1-CZ 3.41Å; F452-F480 VanDerWaalsContact CD1-CZ 3.41Å; F452-F480 AromaticContact CE1-CD2 3.94Å; F452-F480 HydrophobicContact CE1-CD2 3.94Å; F452-F480 HydrophobicContact CE1-CE1 4.45Å; F452-F480 AromaticContact CE1-CE2 3.75Å; F452-F480 HydrophobicContact CE1-CE2 3.75Å; F452-F480 HydrophobicContact CE1-CG 4.38Å; F452-F480 HydrophobicContact CE1-CZ 4.01Å; F452-F480 HydrophobicContact CG-CZ 4.28Å; L453-F480 HydrophobicContact CD2-CE1 3.88Å; L453-F480 HydrophobicContact CD2-CE2 4.35Å; L453-F480 HydrophobicContact CD2-CZ 3.45Å; L453-F480 VanDerWaalsContact CD2-CZ 3.45Å; L453-F480 HydrophobicContact CG-CE1 4.17Å; L453-F480 HydrophobicContact CG-CZ 3.98Å; T476-F480 HydrophobicContact CG2-CD2 3.89Å; T476-F480 HydrophobicContact CG2-CE2 3.91Å; T476-F480 VanDerWaalsContact O-CD2 3.27Å; T476-F480 WeakPolarHBondContact O-CD2 3.45Å; T476-F480 PolarHBondContact O-N 2.83Å; I477-F480 PolarHBondContact O-N 3.01Å; F480-I483 PolarHBondContact O-N 3.24Å; F480-L484 WeakPolarHBondContact O-CG 3.39Å; F480-L484 PolarHBondContact O-N 2.66Å
481	Q	96.6	Very high	94.7	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-46.3	176	-170.6	179.2	23.2	0	0	112.2	V409 I477 S478 I483 L484 N485	V409-Q481 HydrophobicContact CG2-CB 3.85Å; V409-Q481 HydrophobicContact CG2-CG 4.06Å; I477-Q481 VanDerWaalsContact O-CB 3.31Å; I477-Q481 WeakPolarHBondContact O-CB 3.49Å; I477-Q481 PolarHBondContact O-N 2.8Å; S478-Q481 PolarHBondContact O-N 2.94Å; Q481-I483 VanDerWaalsContact C-N 3.3Å; Q481-I483 PolarHBondContact O-N 2.98Å; Q481-L484 WeakPolarHBondContact O-CB 3.17Å; Q481-L484 PolarHBondContact O-N 3.31Å; Q481-L484 VanDerWaalsContact O-N 3.15Å; Q481-N485 VanDerWaalsContact O-CG 3.26Å; Q481-N485 PolarHBondContact O-N 2.85Å; Q481-N485 PolarHBondContact O-ND2 3.37Å
482	S	95.5	Very high	94.7	Very high	21 Å²	21	50 Å²	50	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-34.3	177.2	-73.1	0	0	0	0	112.8	S478 N485 G486 E487	S478-S482 PolarHBondContact O-N 3.08Å; S478-S482 PolarHBondContact O-OG 3.08Å; S482-N485 PolarHBondContact O-N 2.77Å; S482-G486 PolarHBondContact O-N 3.03Å; S482-E487 VanDerWaalsContact CB-OE2 3.24Å; S482-E487 WeakPolarHBondContact CB-OE2 3.44Å; S482-E487 PolarHBondContact O-N 2.95Å; S482-E487 PolarHBondContact OG-OE2 3.35Å
483	I	94.3	Very high	94.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-43	172.9	-63.3	166.1	0	0	0	110.7	I449 F452 G479 F480 Q481 N485 G486 Y488 F496 I502	I449-I483 HydrophobicContact CD1-CG2 4.21Å; I449-I483 HydrophobicContact CG1-CG2 3.6Å; F452-I483 HydrophobicContact CB-CD1 4.24Å; F452-I483 HydrophobicContact CD1-CD1 3.45Å; F452-I483 VanDerWaalsContact CD1-CD1 3.45Å; F452-I483 HydrophobicContact CE1-CD1 3.95Å; F452-I483 HydrophobicContact CG-CD1 3.9Å; G479-I483 WeakPolarHBondContact O-CG1 3.5Å; G479-I483 PolarHBondContact O-N 2.91Å; F480-I483 PolarHBondContact O-N 3.24Å; Q481-I483 VanDerWaalsContact C-N 3.3Å; Q481-I483 PolarHBondContact O-N 2.98Å; I483-N485 VanDerWaalsContact C-N 3.31Å; I483-N485 PolarHBondContact O-N 2.83Å; I483-G486 PolarHBondContact O-N 2.92Å; I483-G486 VanDerWaalsContact O-N 3.14Å; I483-Y488 HydrophobicContact CG1-CD2 4.32Å; I483-F496 HydrophobicContact CD1-CD1 4.02Å; I483-F496 HydrophobicContact CD1-CE1 3.64Å; I483-F496 HydrophobicContact CG1-CE1 3.87Å; I483-I502 HydrophobicContact CD1-CD1 3.98Å; I483-I502 HydrophobicContact CG1-CD1 4.07Å
484	L	94.5	Very high	94.6	Very high	32 Å²	32	53.7 Å²	53.7	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-39	176.5	-68.7	177.9	0	0	0	112.1	V409 V413 I416 R445 I449 F480 Q481 G486	V409-L484 HydrophobicContact CB-CD1 4.49Å; V409-L484 HydrophobicContact CG1-CD1 4.09Å; V413-L484 HydrophobicContact CG2-CD1 4.18Å; V413-L484 HydrophobicContact CG2-CD2 4.14Å; V413-L484 HydrophobicContact CG2-CG 4.29Å; I416-L484 HydrophobicContact CD1-CD2 3.44Å; I416-L484 VanDerWaalsContact CD1-CD2 3.44Å; I416-L484 HydrophobicContact CG1-CD2 4.36Å; R445-L484 PolarHBondContact NH1-O 3.17Å; I449-L484 HydrophobicContact CD1-CD2 4.1Å; F480-L484 WeakPolarHBondContact O-CG 3.39Å; F480-L484 PolarHBondContact O-N 2.66Å; Q481-L484 WeakPolarHBondContact O-CB 3.17Å; Q481-L484 PolarHBondContact O-N 3.31Å; Q481-L484 VanDerWaalsContact O-N 3.15Å; L484-G486 PolarHBondContact O-N 2.92Å
485	N	94.4	Very high	94.6	Very high	100 Å²	100	45.3 Å²	45.3	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-71.2	-13	177.4	-68.2	-16.7	0	0	0	113.5	Q481 S482 I483 E487	Q481-N485 VanDerWaalsContact O-CG 3.26Å; Q481-N485 PolarHBondContact O-N 2.85Å; Q481-N485 PolarHBondContact O-ND2 3.37Å; S482-N485 PolarHBondContact O-N 2.77Å; I483-N485 VanDerWaalsContact C-N 3.31Å; I483-N485 PolarHBondContact O-N 2.83Å; N485-E487 HydrophobicContact CB-CG 4.2Å; N485-E487 PolarHBondContact ND2-OE1 3.16Å
486	G	92.9	Very high	94.6	Very high	17 Å²	17	41.8 Å²	41.8	18%	0.175	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	13.2	-179.9	0	0	0	0	0	115	S482 I483 L484 Y488 D489	S482-G486 PolarHBondContact O-N 3.03Å; I483-G486 PolarHBondContact O-N 2.92Å; I483-G486 VanDerWaalsContact O-N 3.14Å; L484-G486 PolarHBondContact O-N 2.92Å; G486-Y488 PolarHBondContact O-N 3.49Å; G486-D489 WeakPolarHBondContact CA-OD2 3.12Å; G486-D489 PolarHBondContact O-N 3.41Å
487	E	93.7	Very high	94.5	Very high	115 Å²	115	44.5 Å²	44.5	54%	0.537	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	-178.2	-66.8	169.1	-153.5	0	0	112.3	S482 N485	S482-E487 VanDerWaalsContact CB-OE2 3.24Å; S482-E487 WeakPolarHBondContact CB-OE2 3.44Å; S482-E487 PolarHBondContact O-N 2.95Å; S482-E487 PolarHBondContact OG-OE2 3.35Å; N485-E487 HydrophobicContact CB-CG 4.2Å; N485-E487 PolarHBondContact ND2-OE1 3.16Å
488	Y	93.8	Very high	94.3	Very high	50 Å²	50	44.5 Å²	44.5	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	23.3	-178.3	-57.7	-69.1	0	0	0	113.9	K448 I483 G486 A490 L491 I502 V506	K448-Y488 PolarHBondContact NZ-O 3.02Å; K448-Y488 VanDerWaalsContact NZ-O 3.11Å; I483-Y488 HydrophobicContact CG1-CD2 4.32Å; G486-Y488 PolarHBondContact O-N 3.49Å; Y488-A490 PolarHBondContact O-N 3.17Å; Y488-L491 HydrophobicContact CD1-CD1 3.6Å; Y488-L491 HydrophobicContact CD1-CG 4.31Å; Y488-L491 HydrophobicContact CE1-CD1 4.46Å; Y488-L491 HydrophobicContact CG-CD1 4.21Å; Y488-L491 PolarHBondContact O-N 3.13Å; Y488-I502 HydrophobicContact CD2-CD1 3.98Å; Y488-I502 HydrophobicContact CD2-CG1 3.99Å; Y488-I502 HydrophobicContact CE2-CD1 3.89Å; Y488-I502 HydrophobicContact CE2-CG1 3.37Å; Y488-V506 HydrophobicContact CD1-CG2 4.31Å; Y488-V506 HydrophobicContact CE1-CG2 3.65Å
489	D	92.3	Very high	94.2	Very high	48 Å²	48	42.8 Å²	42.8	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.3	178.9	-79	-16	0	0	0	113.2	R445 K448 G486 L491	R445-D489 WeakPolarHBondContact CG-OD1 3.24Å; R445-D489 IonicContact CZ-OD1 3.23Å; R445-D489 IonicContact CZ-OD2 3.93Å; R445-D489 VanDerWaalsContact CZ-OD2 3.29Å; R445-D489 IonicContact NE-OD1 3.56Å; R445-D489 PolarHBondContact NE-OD1 3.38Å; R445-D489 IonicContact NE-OD2 3.29Å; R445-D489 PolarHBondContact NE-OD2 2.73Å; R445-D489 IonicContact NH2-OD2 3.03Å; R445-D489 PolarHBondContact NH2-OD2 3.45Å; K448-D489 VanDerWaalsContact NZ-CA 3.3Å; K448-D489 PolarHBondContact NZ-O 3.39Å; G486-D489 WeakPolarHBondContact CA-OD2 3.12Å; G486-D489 PolarHBondContact O-N 3.41Å; D489-L491 VanDerWaalsContact C-N 3.32Å; D489-L491 PolarHBondContact O-N 2.98Å
490	A	92.6	Very high	94.1	Very high	102 Å²	102	42.8 Å²	42.8	84%	0.843	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.8	177.3	0	0	0	0	0	114	Y488	Y488-A490 PolarHBondContact O-N 3.17Å
491	L	94.2	Very high	94	Very high	37 Å²	37	43.7 Å²	43.7	19%	0.194	24%	0.239	C	C	.	.	S	Bend	trans	-78.4	145.8	-176.2	-59.9	-170.6	0	0	0	111.9	K448 Y488 D489 F496 V505 V506 A509	K448-L491 WeakPolarHBondContact CE-O 3.5Å; K448-L491 PolarHBondContact NZ-O 3.25Å; Y488-L491 HydrophobicContact CD1-CD1 3.6Å; Y488-L491 HydrophobicContact CD1-CG 4.31Å; Y488-L491 HydrophobicContact CE1-CD1 4.46Å; Y488-L491 HydrophobicContact CG-CD1 4.21Å; Y488-L491 PolarHBondContact O-N 3.13Å; D489-L491 VanDerWaalsContact C-N 3.32Å; D489-L491 PolarHBondContact O-N 2.98Å; L491-F496 HydrophobicContact CB-CE2 3.95Å; L491-F496 HydrophobicContact CB-CZ 4.35Å; L491-V505 HydrophobicContact CD1-CG1 3.89Å; L491-V506 HydrophobicContact CD1-CG2 4.35Å; L491-A509 HydrophobicContact CD1-CB 4.41Å; L491-A509 HydrophobicContact CD2-CB 3.89Å
492	P	94.1	Very high	93.8	Very high	60 Å²	60	40.7 Å²	40.7	39%	0.39	23%	0.225	S	C	.	.			trans	-70.4	148.2	178.2	29.2	-34.3	0	0	0	111.9	Q494 A495 M512	P492-Q494 PolarHBondContact O-N 2.94Å; P492-A495 HydrophobicContact CG-CB 4.15Å; P492-A495 WeakPolarHBondContact O-CB 3.43Å; P492-A495 PolarHBondContact O-N 3.3Å; P492-A495 VanDerWaalsContact O-N 3.1Å; P492-M512 HydrophobicContact CG-SD 4.46Å
493	E	93.1	Very high	93.8	Very high	65 Å²	65	44.5 Å²	44.5	30%	0.304	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-55.3	-37.7	-179.2	-63.2	179.3	-170.2	0	0	113	R447 K448 A495 F496	R447-E493 HydrophobicContact CB-CG 4.36Å; R447-E493 WeakPolarHBondContact CD-OE1 3.29Å; R447-E493 WeakPolarHBondContact CD-OE2 3.47Å; R447-E493 IonicContact NH1-OE1 3.7Å; K448-E493 HydrophobicContact CG-CG 4.17Å; E493-A495 PolarHBondContact O-N 2.94Å; E493-F496 PolarHBondContact O-N 2.84Å; E493-F496 VanDerWaalsContact O-N 3.1Å
494	Q	93.4	Very high	93.7	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.4	-20.7	-177.2	-165.6	63.2	13.6	0	0	113.5	P492 F496 Y497 M512	P492-Q494 PolarHBondContact O-N 2.94Å; Q494-F496 PolarHBondContact O-N 3.11Å; Q494-Y497 PolarHBondContact O-N 3.45Å; Q494-M512 HydrophobicContact CB-CE 3.89Å; Q494-M512 HydrophobicContact CB-SD 4.33Å; Q494-M512 HydrophobicContact CG-CE 4.12Å
495	A	94.8	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-67.6	-25	174.9	0	0	0	0	0	112.1	P492 E493 V505 A509 M512	P492-A495 HydrophobicContact CG-CB 4.15Å; P492-A495 WeakPolarHBondContact O-CB 3.43Å; P492-A495 PolarHBondContact O-N 3.3Å; P492-A495 VanDerWaalsContact O-N 3.1Å; E493-A495 PolarHBondContact O-N 2.94Å; A495-V505 HydrophobicContact CB-CG1 3.87Å; A495-A509 HydrophobicContact CB-CB 3.86Å; A495-M512 HydrophobicContact CB-SD 4.48Å
496	F	95.8	Very high	93.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-85.3	-6.1	179.5	-65.9	-92.7	0	0	0	113.6	K448 R451 F452 I483 L491 E493 Q494 I502 V505	K448-F496 HydrophobicContact CB-CD1 4.48Å; K448-F496 HydrophobicContact CB-CD2 3.98Å; K448-F496 HydrophobicContact CB-CE2 4.07Å; K448-F496 HydrophobicContact CB-CG 4.18Å; K448-F496 HydrophobicContact CB-CZ 4.34Å; K448-F496 HydrophobicContact CD-CD2 4.29Å; K448-F496 HydrophobicContact CD-CE2 3.7Å; K448-F496 HydrophobicContact CD-CZ 4.11Å; K448-F496 HydrophobicContact CG-CD2 3.82Å; K448-F496 HydrophobicContact CG-CE2 3.76Å; K448-F496 HydrophobicContact CG-CZ 4.39Å; R451-F496 CarbonylContact C-O 3.6Å; R451-F496 VanDerWaalsContact C-O 3.25Å; R451-F496 HydrophobicContact CB-CB 4.05Å; F452-F496 WeakPolarHBondContact CA-O 3.39Å; F452-F496 HydrophobicContact CB-CB 4.11Å; F452-F496 HydrophobicContact CB-CD1 3.92Å; F452-F496 HydrophobicContact CB-CG 4.47Å; F452-F496 AromaticContact CD2-CD1 3.95Å; F452-F496 HydrophobicContact CD2-CD1 3.95Å; F452-F496 HydrophobicContact CG-CD1 4.03Å; F452-F496 PolarHBondContact N-O 2.85Å; I483-F496 HydrophobicContact CD1-CD1 4.02Å; I483-F496 HydrophobicContact CD1-CE1 3.64Å; I483-F496 HydrophobicContact CG1-CE1 3.87Å; L491-F496 HydrophobicContact CB-CE2 3.95Å; L491-F496 HydrophobicContact CB-CZ 4.35Å; E493-F496 PolarHBondContact O-N 2.84Å; E493-F496 VanDerWaalsContact O-N 3.1Å; Q494-F496 PolarHBondContact O-N 3.11Å; F496-I502 HydrophobicContact CE1-CD1 4.09Å; F496-V505 HydrophobicContact CD1-CG1 3.77Å; F496-V505 HydrophobicContact CD1-CG2 3.91Å; F496-V505 HydrophobicContact CD2-CG1 3.99Å; F496-V505 HydrophobicContact CE1-CG1 3.71Å; F496-V505 HydrophobicContact CE1-CG2 4.28Å; F496-V505 HydrophobicContact CE2-CG1 3.92Å; F496-V505 HydrophobicContact CG-CG1 3.93Å; F496-V505 HydrophobicContact CG-CG2 4.46Å; F496-V505 HydrophobicContact CZ-CG1 3.79Å
497	Y	95.1	Very high	93.7	Very high	57 Å²	57	48.9 Å²	48.9	22%	0.224	26%	0.257	C	S	.	.	S	Bend	trans	-86.8	131.8	-176.3	178.6	-108.5	0	0	0	112.1	G382 Q494 K508	G382-Y497 WeakPolarHBondContact O-CE2 3.04Å; G382-Y497 PolarHBondContact O-OH 2.81Å; Q494-Y497 PolarHBondContact O-N 3.45Å; Y497-K508 PolarHBondContact O-NZ 3.03Å
498	M	91.9	Very high	93.7	Very high	19 Å²	19	46.2 Å²	46.2	9%	0.094	24%	0.243	C	C	.	.	S	Bend	trans	50.5	58.8	176.2	-69.1	-69.7	-78.7	0	0	113.2	S454 P456 T464	S454-M498 PolarHBondContact OG-N 3.42Å; P456-M498 HydrophobicContact CB-CE 3.92Å; T464-M498 HydrophobicContact CG2-CE 4.2Å
499	V	93.7	Very high	93.7	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	24%	0.238	C	C	.	.			trans	-134.2	158.5	178.4	-67.5	0	0	0	0	110.1	K177 F452 E504 V505 K508	K177-V499 PolarHBondContact NZ-O 3.31Å; F452-V499 HydrophobicContact CD2-CG2 4.04Å; F452-V499 HydrophobicContact CE2-CG2 4.12Å; V499-E504 HydrophobicContact CB-CB 4.26Å; V499-V505 HydrophobicContact CG2-CG2 3.77Å; V499-K508 HydrophobicContact CG1-CD 3.61Å
500	G	93	Very high	93.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-81	-112.4	174.6	0	0	0	0	0	112.1	K177 E504	K177-G500 PolarHBondContact NZ-O 2.87Å; G500-E504 PolarHBondContact N-OE2 2.83Å
501	P	94.7	Very high	93.6	Very high	20 Å²	20	43.9 Å²	43.9	13%	0.13	23%	0.225	C	C	.	.	S	Bend	trans	-76.4	173.9	-179.6	36.5	-38.9	0	0	0	112.4	V471 E475 E503 E504	V471-P501 HydrophobicContact CG1-CB 4.42Å; E475-P501 HydrophobicContact CB-CB 4.32Å; E475-P501 WeakPolarHBondContact OE2-CB 3.48Å; P501-E503 VanDerWaalsContact C-N 3.26Å; P501-E503 WeakPolarHBondContact CB-OE2 3.44Å; P501-E503 PolarHBondContact O-N 2.87Å; P501-E504 HydrophobicContact CG-CG 4.26Å; P501-E504 PolarHBondContact O-N 2.84Å
502	I	93.3	Very high	93.5	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-27.4	-170.3	-164.4	64	0	0	0	112.9	F452 I483 Y488 F496 E504 V505 V506	F452-I502 HydrophobicContact CE1-CD1 4.32Å; F452-I502 HydrophobicContact CE2-CD1 4.2Å; F452-I502 HydrophobicContact CZ-CB 4.27Å; F452-I502 HydrophobicContact CZ-CD1 3.95Å; I483-I502 HydrophobicContact CD1-CD1 3.98Å; I483-I502 HydrophobicContact CG1-CD1 4.07Å; Y488-I502 HydrophobicContact CD2-CD1 3.98Å; Y488-I502 HydrophobicContact CD2-CG1 3.99Å; Y488-I502 HydrophobicContact CE2-CD1 3.89Å; Y488-I502 HydrophobicContact CE2-CG1 3.37Å; F496-I502 HydrophobicContact CE1-CD1 4.09Å; I502-E504 VanDerWaalsContact C-N 3.28Å; I502-E504 PolarHBondContact O-N 3.41Å; I502-V505 HydrophobicContact CD1-CB 4.41Å; I502-V505 HydrophobicContact CD1-CG2 4.06Å; I502-V505 VanDerWaalsContact O-CB 3.25Å; I502-V505 WeakPolarHBondContact O-CB 3.44Å; I502-V505 PolarHBondContact O-N 2.82Å; I502-V505 VanDerWaalsContact O-N 3.09Å; I502-V506 PolarHBondContact O-N 3.38Å
503	E	93.8	Very high	93.3	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-39.1	177.4	-64	74.9	-165.1	0	0	111.1	P501 V505 V506 E507	P501-E503 VanDerWaalsContact C-N 3.26Å; P501-E503 WeakPolarHBondContact CB-OE2 3.44Å; P501-E503 PolarHBondContact O-N 2.87Å; E503-V505 PolarHBondContact O-N 3.48Å; E503-V506 WeakPolarHBondContact O-CB 3.43Å; E503-V506 PolarHBondContact O-N 2.87Å; E503-V506 VanDerWaalsContact O-N 3.11Å; E503-E507 PolarHBondContact O-N 3.16Å; E503-E507 VanDerWaalsContact O-N 3.11Å
504	E	93.9	Very high	93.1	Very high	42 Å²	42	48.3 Å²	48.3	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-26.6	177.5	-66.5	-171.7	-179.5	0	0	112.3	K469 V499 G500 P501 I502 V506 K508	K469-E504 WeakPolarHBondContact CD-OE1 3.42Å; K469-E504 WeakPolarHBondContact CE-OE1 3.25Å; K469-E504 IonicContact NZ-OE1 3.92Å; K469-E504 PolarHBondContact NZ-OE1 2.88Å; K469-E504 IonicContact NZ-OE2 3.04Å; V499-E504 HydrophobicContact CB-CB 4.26Å; G500-E504 PolarHBondContact N-OE2 2.83Å; P501-E504 HydrophobicContact CG-CG 4.26Å; P501-E504 PolarHBondContact O-N 2.84Å; I502-E504 VanDerWaalsContact C-N 3.28Å; I502-E504 PolarHBondContact O-N 3.41Å; E504-V506 VanDerWaalsContact C-N 3.34Å; E504-K508 WeakPolarHBondContact O-CB 3.33Å; E504-K508 PolarHBondContact O-N 2.83Å
505	V	94	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-43.3	173.4	-179.1	0	0	0	0	110.1	F452 L491 A495 F496 V499 I502 E503 K508 A509	F452-V505 HydrophobicContact CD2-CG2 3.95Å; F452-V505 HydrophobicContact CE2-CG2 3.72Å; L491-V505 HydrophobicContact CD1-CG1 3.89Å; A495-V505 HydrophobicContact CB-CG1 3.87Å; F496-V505 HydrophobicContact CD1-CG1 3.77Å; F496-V505 HydrophobicContact CD1-CG2 3.91Å; F496-V505 HydrophobicContact CD2-CG1 3.99Å; F496-V505 HydrophobicContact CE1-CG1 3.71Å; F496-V505 HydrophobicContact CE1-CG2 4.28Å; F496-V505 HydrophobicContact CE2-CG1 3.92Å; F496-V505 HydrophobicContact CG-CG1 3.93Å; F496-V505 HydrophobicContact CG-CG2 4.46Å; F496-V505 HydrophobicContact CZ-CG1 3.79Å; V499-V505 HydrophobicContact CG2-CG2 3.77Å; I502-V505 HydrophobicContact CD1-CB 4.41Å; I502-V505 HydrophobicContact CD1-CG2 4.06Å; I502-V505 VanDerWaalsContact O-CB 3.25Å; I502-V505 WeakPolarHBondContact O-CB 3.44Å; I502-V505 PolarHBondContact O-N 2.82Å; I502-V505 VanDerWaalsContact O-N 3.09Å; E503-V505 PolarHBondContact O-N 3.48Å; V505-K508 PolarHBondContact O-N 3.25Å; V505-A509 VanDerWaalsContact O-CB 3.3Å; V505-A509 WeakPolarHBondContact O-CB 3.33Å; V505-A509 PolarHBondContact O-N 2.84Å
506	V	93.6	Very high	92.2	Very high	64 Å²	64	56.5 Å²	56.5	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-43.9	-180	-177.7	0	0	0	0	110.4	Y488 L491 I502 E503 E504 A509 A510	Y488-V506 HydrophobicContact CD1-CG2 4.31Å; Y488-V506 HydrophobicContact CE1-CG2 3.65Å; L491-V506 HydrophobicContact CD1-CG2 4.35Å; I502-V506 PolarHBondContact O-N 3.38Å; E503-V506 WeakPolarHBondContact O-CB 3.43Å; E503-V506 PolarHBondContact O-N 2.87Å; E503-V506 VanDerWaalsContact O-N 3.11Å; E504-V506 VanDerWaalsContact C-N 3.34Å; V506-A509 PolarHBondContact O-N 2.97Å; V506-A510 WeakPolarHBondContact O-CB 3.17Å; V506-A510 PolarHBondContact O-N 3.23Å
507	E	93.6	Very high	90.7	Very high	137 Å²	137	63 Å²	63	64%	0.64	35%	0.348	S	S	*	.	H	α-helix	trans	-61.1	-46	176.1	-68.3	-177.7	175.9	0	0	111.7	E503 A510 Q511	E503-E507 PolarHBondContact O-N 3.16Å; E503-E507 VanDerWaalsContact O-N 3.11Å; E507-A510 PolarHBondContact O-N 3.19Å; E507-Q511 PolarHBondContact O-N 3.12Å
508	K	93.4	Very high	90.5	Very high	59 Å²	59	63.3 Å²	63.3	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-41.6	178.2	-171.8	168.9	-178.2	170.7	0	111.9	Y497 V499 E504 V505 A510 Q511 M512	Y497-K508 PolarHBondContact O-NZ 3.03Å; V499-K508 HydrophobicContact CG1-CD 3.61Å; E504-K508 WeakPolarHBondContact O-CB 3.33Å; E504-K508 PolarHBondContact O-N 2.83Å; V505-K508 PolarHBondContact O-N 3.25Å; K508-A510 VanDerWaalsContact C-N 3.34Å; K508-A510 PolarHBondContact O-N 3.32Å; K508-Q511 PolarHBondContact O-N 3.11Å; K508-M512 VanDerWaalsContact O-CG 3.3Å; K508-M512 WeakPolarHBondContact O-CG 3.35Å; K508-M512 PolarHBondContact O-N 2.85Å
509	A	92.9	Very high	90.4	Very high	11 Å²	11	65.6 Å²	65.6	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-41.3	174.8	0	0	0	0	0	111.9	L491 A495 V505 V506 Q511 M512 A513	L491-A509 HydrophobicContact CD1-CB 4.41Å; L491-A509 HydrophobicContact CD2-CB 3.89Å; A495-A509 HydrophobicContact CB-CB 3.86Å; V505-A509 VanDerWaalsContact O-CB 3.3Å; V505-A509 WeakPolarHBondContact O-CB 3.33Å; V505-A509 PolarHBondContact O-N 2.84Å; V506-A509 PolarHBondContact O-N 2.97Å; A509-Q511 VanDerWaalsContact C-N 3.34Å; A509-M512 PolarHBondContact O-N 2.85Å; A509-A513 WeakPolarHBondContact O-CB 3.44Å; A509-A513 PolarHBondContact O-N 3.36Å
510	A	92.3	Very high	90.3	Very high	47 Å²	47	68.9 Å²	68.9	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-37.9	175.7	0	0	0	0	0	112.1	V506 E507 K508 A513 K514	V506-A510 WeakPolarHBondContact O-CB 3.17Å; V506-A510 PolarHBondContact O-N 3.23Å; E507-A510 PolarHBondContact O-N 3.19Å; K508-A510 VanDerWaalsContact C-N 3.34Å; K508-A510 PolarHBondContact O-N 3.32Å; A510-A513 PolarHBondContact O-N 3.07Å; A510-K514 WeakPolarHBondContact O-CG 3.43Å; A510-K514 PolarHBondContact O-N 3.42Å; A510-K514 VanDerWaalsContact O-N 3.13Å
511	Q	91.4	Very high	90.1	Very high	92 Å²	92	73 Å²	73	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-45.3	175.1	-171.4	58	40.3	0	0	111.6	E507 K508 A509 A513 K514 D515	E507-Q511 PolarHBondContact O-N 3.12Å; K508-Q511 PolarHBondContact O-N 3.11Å; A509-Q511 VanDerWaalsContact C-N 3.34Å; Q511-A513 VanDerWaalsContact C-N 3.27Å; Q511-A513 PolarHBondContact O-N 3.17Å; Q511-K514 WeakPolarHBondContact O-CB 3.23Å; Q511-K514 PolarHBondContact O-N 3.49Å; Q511-D515 PolarHBondContact NE2-OD1 2.96Å; Q511-D515 VanDerWaalsContact O-CG 3.27Å; Q511-D515 PolarHBondContact O-N 2.69Å
512	M	91.4	Very high	89.8	Confident	56 Å²	56	76.3 Å²	76.3	28%	0.276	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-39.7	175.6	-71.3	179.2	71.8	0	0	112.3	P492 Q494 A495 K508 A509 K514 D515 L516	P492-M512 HydrophobicContact CG-SD 4.46Å; Q494-M512 HydrophobicContact CB-CE 3.89Å; Q494-M512 HydrophobicContact CB-SD 4.33Å; Q494-M512 HydrophobicContact CG-CE 4.12Å; A495-M512 HydrophobicContact CB-SD 4.48Å; K508-M512 VanDerWaalsContact O-CG 3.3Å; K508-M512 WeakPolarHBondContact O-CG 3.35Å; K508-M512 PolarHBondContact O-N 2.85Å; A509-M512 PolarHBondContact O-N 2.85Å; M512-K514 VanDerWaalsContact C-N 3.32Å; M512-K514 PolarHBondContact O-N 3.17Å; M512-D515 PolarHBondContact O-N 3.35Å; M512-L516 WeakPolarHBondContact O-CD1 3.37Å; M512-L516 WeakPolarHBondContact O-CG 3.48Å; M512-L516 PolarHBondContact O-N 3.29Å
513	A	90.4	Very high	89.6	Confident	61 Å²	61	81.1 Å²	81.1	50%	0.504	45%	0.454	S	S	.	.	H	α-helix	trans	-65.9	-34.1	176.1	0	0	0	0	0	112.5	A509 A510 Q511 A517	A509-A513 WeakPolarHBondContact O-CB 3.44Å; A509-A513 PolarHBondContact O-N 3.36Å; A510-A513 PolarHBondContact O-N 3.07Å; Q511-A513 VanDerWaalsContact C-N 3.27Å; Q511-A513 PolarHBondContact O-N 3.17Å; A513-A517 PolarHBondContact O-N 3.05Å
514	K	89.7	Confident	89.3	Confident	138 Å²	138	79.6 Å²	79.6	60%	0.6	45%	0.452	S	S	*	.	H	α-helix	trans	-70.8	-39	173.9	-72.1	173	-175.3	173	0	112.4	A510 Q511 M512 L516 A517	A510-K514 WeakPolarHBondContact O-CG 3.43Å; A510-K514 PolarHBondContact O-N 3.42Å; A510-K514 VanDerWaalsContact O-N 3.13Å; Q511-K514 WeakPolarHBondContact O-CB 3.23Å; Q511-K514 PolarHBondContact O-N 3.49Å; M512-K514 VanDerWaalsContact C-N 3.32Å; M512-K514 PolarHBondContact O-N 3.17Å; K514-L516 PolarHBondContact O-N 2.78Å; K514-A517 PolarHBondContact O-N 3.27Å
515	D	85.8	Confident	88.9	Confident	117 Å²	117	82.5 Å²	82.5	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-71.7	-20.9	-178.7	-61.9	-20.4	0	0	0	112.5	Q511 M512	Q511-D515 PolarHBondContact NE2-OD1 2.96Å; Q511-D515 VanDerWaalsContact O-CG 3.27Å; Q511-D515 PolarHBondContact O-N 2.69Å; M512-D515 PolarHBondContact O-N 3.35Å
516	L	82.3	Confident	88.5	Confident	154 Å²	154	89.4 Å²	89.4	81%	0.806	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.7	174	-75.7	162.5	0	0	0	113.7	M512 K514	M512-L516 WeakPolarHBondContact O-CD1 3.37Å; M512-L516 WeakPolarHBondContact O-CG 3.48Å; M512-L516 PolarHBondContact O-N 3.29Å; K514-L516 PolarHBondContact O-N 2.78Å
517	A	65.3	Low	88	Confident	137 Å²	137	91.7 Å²	91.7	100%	1.132	52%	0.523	S	S	*	.			trans	-93.9	0	-179.3	0	0	0	0	0	111.1	A513 K514	A513-A517 PolarHBondContact O-N 3.05Å; K514-A517 PolarHBondContact O-N 3.27Å

Retrieved 517 of 517 residues in 2477.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).