A0A087X8W3_POEFO Loading...

Tribbles homolog 2

Interacts with MAPK kinases and regulates activation of MAP kinases. Does not display kinase activity.

AlphaFold DB (A0A3B3TT07), UniProt , Accession A0A087X8W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 aa.

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(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	32.2	Very low	53.3	Low	232 Å²	232	134.4 Å²	134.4	100%	1.143	69%	0.69	S	S	*	*				0	117.5	0	-74.4	170.3	-155.3	0	0	107.6	I3	M1-I3 PolarHBondContact O-N 3.47Å; M1-I3 VanDerWaalsContact O-N 3.11Å
2	N	25.4	Very low	56.3	Low	174 Å²	174	127 Å²	127	93%	0.93	66%	0.659	S	S	*	*			trans	-71.4	102	175.3	-88.9	-12	0	0	0	108.3	Q4	N2-Q4 PolarHBondContact O-N 2.97Å
3	I	31	Very low	58.4	Low	152 Å²	152	133.6 Å²	133.6	78%	0.779	67%	0.67	S	S	*	*			trans	-67.5	99.6	167	-57.7	169.9	0	0	0	105.4	M1 R5	M1-I3 PolarHBondContact O-N 3.47Å; M1-I3 VanDerWaalsContact O-N 3.11Å; I3-R5 PolarHBondContact O-N 2.86Å
4	Q	33.9	Very low	59.2	Low	188 Å²	188	131.8 Å²	131.8	88%	0.879	65%	0.653	S	S	*	*			trans	-56.7	106.8	163	-95	179.3	-35.4	0	0	106.3	N2 S6	N2-Q4 PolarHBondContact O-N 2.97Å; Q4-S6 PolarHBondContact O-N 2.61Å
5	R	37.2	Very low	59.1	Low	234 Å²	234	126.9 Å²	126.9	88%	0.883	65%	0.65	S	S	*	*			trans	-63.3	110.5	172	-71.9	-178	176.3	179.3	-1.7	106.4	I3	I3-R5 PolarHBondContact O-N 2.86Å
6	S	49	Very low	58.1	Low	64 Å²	64	134.1 Å²	134.1	45%	0.448	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-52.2	144.2	166.1	38.4	0	0	0	0	108.9	Q4	Q4-S6 PolarHBondContact O-N 2.61Å
7	N	50.2	Low	56.8	Low	127 Å²	127	131.8 Å²	131.8	68%	0.679	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.9	132.8	170.2	-79.2	-23.8	0	0	0	108.3	I9	N7-I9 PolarHBondContact O-N 3.26Å
8	P	70.7	Confident	55.6	Low	119 Å²	119	138.2 Å²	138.2	77%	0.773	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-62.6	133.2	-177.7	25	-32.3	0	0	0	109.5	S10	P8-S10 PolarHBondContact O-N 3.28Å
9	I	82.4	Confident	54.3	Low	50 Å²	50	139.7 Å²	139.7	26%	0.256	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-58.3	126.8	172.3	-65.8	170	0	0	0	107.7	N7 I11 F105 I116 I119	N7-I9 PolarHBondContact O-N 3.26Å; I9-I11 HydrophobicContact CG2-CG1 4.33Å; I9-I11 PolarHBondContact O-N 3.05Å; I9-F105 HydrophobicContact CD1-CD1 3.76Å; I9-F105 HydrophobicContact CD1-CE1 3.71Å; I9-I116 HydrophobicContact CD1-CB 4.16Å; I9-I116 HydrophobicContact CD1-CD1 4.13Å; I9-I116 HydrophobicContact CG2-CB 4.3Å; I9-I116 HydrophobicContact CG2-CG2 3.69Å; I9-I119 HydrophobicContact CG2-CD1 4.03Å; I9-I119 HydrophobicContact CG2-CG1 4.02Å
10	S	86.4	Confident	53.1	Low	59 Å²	59	143 Å²	143	41%	0.413	70%	0.696	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.7	120.7	176.1	-175.5	0	0	0	0	109.3	P8 I119	P8-S10 PolarHBondContact O-N 3.28Å; S10-I119 PolarHBondContact O-N 3.17Å
11	I	88.1	Confident	52	Low	79 Å²	79	141.2 Å²	141.2	41%	0.405	70%	0.698	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	119.8	174.2	-51.3	-178.2	0	0	0	107.8	I9 F105 I119 L121	I9-I11 HydrophobicContact CG2-CG1 4.33Å; I9-I11 PolarHBondContact O-N 3.05Å; I11-F105 HydrophobicContact CD1-CE1 4.41Å; I11-F105 HydrophobicContact CD1-CZ 4.48Å; I11-I119 WeakPolarHBondContact CA-O 3.19Å; I11-I119 HydrophobicContact CD1-CD1 4.29Å; I11-I119 HydrophobicContact CG1-CB 4.19Å; I11-I119 HydrophobicContact CG1-CD1 4.25Å; I11-I119 HydrophobicContact CG2-CB 4.35Å; I11-I119 HydrophobicContact CG2-CG2 4.45Å; I11-L121 HydrophobicContact CG2-CD1 3.8Å; I11-L121 HydrophobicContact CG2-CG 4.02Å
12	S	89.6	Confident	51.7	Low	46 Å²	46	138.8 Å²	138.8	32%	0.322	68%	0.683	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.3	150.8	179.1	73.4	0	0	0	0	111.6	I119 L120 L121	S12-I119 PolarHBondContact N-O 3.2Å; S12-L120 WeakPolarHBondContact OG-CD2 3.47Å; S12-L121 PolarHBondContact O-N 3.41Å
13	R	82.9	Confident	52.1	Low	213 Å²	213	137.8 Å²	137.8	80%	0.804	68%	0.678	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.3	123.3	169.9	-80.3	-169.1	-173.8	-167.1	2.7	109	L121	R13-L121 WeakPolarHBondContact CA-O 3.13Å; R13-L121 HydrophobicContact CG-CB 4.14Å
14	Y	69.7	Low	51.9	Low	108 Å²	108	140.7 Å²	140.7	42%	0.424	69%	0.685	S	S	.	*			trans	-99.2	130.8	170	172.7	-104	0	0	0	108.4	I61 G62 L121	Y14-I61 HydrophobicContact CD1-CG2 4.31Å; Y14-G62 VanDerWaalsContact CE2-N 3.32Å; Y14-L121 PolarHBondContact N-O 3.38Å
15	G	57.3	Low	51.9	Low	59 Å²	59	140.4 Å²	140.4	61%	0.608	68%	0.684	S	S	*	*			trans	126.1	0.2	178.5	0	0	0	0	0	117.2	S17	G15-S17 PolarHBondContact O-N 3.46Å
16	R	43	Very low	51.6	Low	241 Å²	241	137.2 Å²	137.2	91%	0.909	68%	0.679	S	S	*	*			trans	-96	65	165.7	-94.4	-172.6	177.4	-178.8	0.6	111.5
17	S	35.8	Very low	50.8	Low	95 Å²	95	142.8 Å²	142.8	66%	0.664	70%	0.703	S	S	*	*			trans	-84.5	115.8	156.9	-173.8	0	0	0	0	108.5	G15 H19	G15-S17 PolarHBondContact O-N 3.46Å; S17-H19 PolarHBondContact O-N 2.89Å
18	R	35.7	Very low	49.9	Very low	248 Å²	248	140.1 Å²	140.1	94%	0.936	70%	0.695	S	S	*	*			trans	-79.6	57.7	172.1	-145.3	-176.2	-172.7	-174.3	0.7	108.9
19	H	30.8	Very low	48	Very low	166 Å²	166	140.8 Å²	140.8	77%	0.769	70%	0.701	S	S	*	*			trans	-132.9	101.5	168.6	-84.1	-67.4	0	0	0	109.2	S17 S21	S17-H19 PolarHBondContact O-N 2.89Å; H19-S21 PolarHBondContact O-N 2.86Å
20	K	31.6	Very low	45.5	Very low	206 Å²	206	145.6 Å²	145.6	90%	0.896	73%	0.726	S	S	*	*			trans	-54.2	114	159	-82.4	179	168.9	-177.2	0	107.9
21	S	28.4	Very low	42.8	Very low	105 Å²	105	154 Å²	154	73%	0.734	75%	0.749	S	S	*	*				162.7	135.6	123.2	47.3	0	0	0	0	111.7	H19	H19-S21 PolarHBondContact O-N 2.86Å
22	H	27.7	Very low	39.9	Very low	182 Å²	182	156.8 Å²	156.8	84%	0.843	77%	0.769	S	S	*	*			trans	84.8	88.9	171.3	-71.2	-68.7	0	0	0	118.3
23	D	31.8	Very low	37	Very low	153 Å²	153	160.4 Å²	160.4	82%	0.818	79%	0.79	S	S	*	*			trans	-51.4	137.7	162.9	-53.6	-56.9	0	0	0	112.8
24	F	28.9	Very low	34.5	Very low	212 Å²	212	158.8 Å²	158.8	93%	0.93	79%	0.791	S	S	*	*			trans	-154	78.9	148.3	-133	-88.9	0	0	0	108.6
25	E	32.5	Very low	32.5	Very low	183 Å²	183	158.7 Å²	158.7	86%	0.855	81%	0.806	S	S	*	*			trans	-101.4	111.9	157.5	-87.4	-168.9	146.6	0	0	107.5
26	E	30.6	Very low	31.2	Very low	166 Å²	166	163.2 Å²	163.2	78%	0.776	82%	0.816	S	S	*	*			trans	-156.2	106.7	148	-132.6	176.4	-176.3	0	0	110.7	S28	E26-S28 PolarHBondContact O-N 2.93Å
27	L	33.3	Very low	30.6	Very low	181 Å²	181	160.5 Å²	160.5	95%	0.948	81%	0.814	S	S	*	*			trans	-77.8	100.4	158.5	-82.6	158.8	0	0	0	107.6
28	S	31.2	Very low	30.3	Very low	72 Å²	72	160.3 Å²	160.3	50%	0.503	81%	0.813	S	S	.	*			trans	-146.4	116.9	157	65.8	0	0	0	0	110.9	E26 L30	E26-S28 PolarHBondContact O-N 2.93Å; S28-L30 PolarHBondContact O-N 2.8Å; S28-L30 VanDerWaalsContact O-N 3.13Å
29	C	30.5	Very low	30	Very low	133 Å²	133	158 Å²	158	90%	0.899	81%	0.81	S	S	*	*			trans	-67.2	105.9	166.1	-67.3	0	0	0	0	108.3	R31	C29-R31 PolarHBondContact O-N 2.84Å
30	L	29	Very low	30.1	Very low	151 Å²	151	155.7 Å²	155.7	79%	0.791	81%	0.813	S	S	*	*			trans	-70.3	110.4	172.8	-75	164.7	0	0	0	109.7	S28	S28-L30 PolarHBondContact O-N 2.8Å; S28-L30 VanDerWaalsContact O-N 3.13Å
31	R	30.2	Very low	30.7	Very low	236 Å²	236	151 Å²	151	89%	0.891	80%	0.803	S	S	*	*			trans	-78.6	115.9	156.9	-65.9	-178.9	-154.5	-170	4.9	107.2	C29	C29-R31 PolarHBondContact O-N 2.84Å
32	T	27.9	Very low	30.9	Very low	137 Å²	137	153.2 Å²	153.2	84%	0.84	81%	0.807	S	S	*	*			trans	-94.6	110.6	165.2	44.8	0	0	0	0	109.4
33	T	28.8	Very low	31.6	Very low	122 Å²	122	152.9 Å²	152.9	75%	0.748	81%	0.81	S	S	*	*			trans	-88	160.8	162.3	42.8	0	0	0	0	110.8
34	E	29.6	Very low	31.5	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	81%	0.808	S	S	*	*			trans	87.5	154.6	167.5	-55.1	-167.1	170.3	0	0	117.5
35	S	28.6	Very low	31.9	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	80%	0.799	S	S	*	*			cis	-166.1	161.5	-42.9	56.6	0	0	0	0	106.1
36	N	29.5	Very low	32.1	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	80%	0.8	S	S	*	*			trans	-39.5	141.4	-175.8	-69.5	-32	0	0	0	117.8
37	Q	30.9	Very low	32.5	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	80%	0.798	S	S	*	*				177.2	128.2	110.3	-93.8	174.9	33.4	0	0	116.1
38	S	28.8	Very low	32.8	Very low	90 Å²	90	135.6 Å²	135.6	63%	0.629	79%	0.787	S	S	*	*			trans	30.6	125.1	145.2	60.1	0	0	0	0	126.8
39	F	29.4	Very low	33.3	Very low	199 Å²	199	138 Å²	138	87%	0.873	80%	0.801	S	S	*	*			trans	49.8	112.7	131.1	-61.7	-71.7	0	0	0	123.4
40	S	33.1	Very low	33.5	Very low	119 Å²	119	140.8 Å²	140.8	83%	0.832	80%	0.801	S	S	*	*				177.9	158.1	108.5	-79.5	0	0	0	0	112.7
41	P	44	Very low	34	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	80%	0.799	S	S	*	*			trans	-101.2	142.3	-162.8	36.7	-28.4	0	0	0	113.2
42	N	33.1	Very low	34.4	Very low	151 Å²	151	133.6 Å²	133.6	81%	0.807	79%	0.792	S	S	*	*			trans	-177.5	126	142.3	-97.6	-37.5	0	0	0	113.5
43	L	41.7	Very low	34.9	Very low	174 Å²	174	135.2 Å²	135.2	91%	0.911	80%	0.796	S	S	*	*			trans	30.4	104.9	148.7	-72.2	151.7	0	0	0	119
44	G	30.8	Very low	35.5	Very low	76 Å²	76	132.4 Å²	132.4	78%	0.784	78%	0.781	S	S	*	*			trans	-126.9	138.3	165.7	0	0	0	0	0	112.2
45	S	35.8	Very low	36.1	Very low	106 Å²	106	129.8 Å²	129.8	74%	0.741	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-51.9	158.9	173.5	33.1	0	0	0	0	114.9	S47	S45-S47 PolarHBondContact O-N 3.41Å
46	P	37.9	Very low	37.1	Very low	134 Å²	134	129.3 Å²	129.3	87%	0.87	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-66.2	119.2	-174.3	26.9	-32.8	0	0	0	111.3
47	S	38.9	Very low	38.4	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64.7	150.4	171.1	-48.1	0	0	0	0	111	S45	S45-S47 PolarHBondContact O-N 3.41Å
48	P	39.2	Very low	40.1	Very low	111 Å²	111	122.7 Å²	122.7	72%	0.721	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-61.2	156.3	169.5	-4	17.9	0	0	0	110.1	E50	P48-E50 PolarHBondContact O-N 2.87Å
49	P	41.8	Very low	42.7	Very low	122 Å²	122	120.7 Å²	120.7	79%	0.792	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.2	127.3	179.1	23.6	-31.3	0	0	0	109.8	T51	P49-T51 PolarHBondContact O-N 2.62Å
50	E	34.1	Very low	45.6	Very low	192 Å²	192	118.2 Å²	118.2	90%	0.897	72%	0.715	S	S	*	*			trans	-52.3	112.8	174	-69.2	174.5	163.6	0	0	108.8	P48	P48-E50 PolarHBondContact O-N 2.87Å
51	T	40.9	Very low	48.3	Very low	122 Å²	122	113.5 Å²	113.5	75%	0.748	68%	0.68	S	S	*	*			trans	-63.5	134.6	165	46.2	0	0	0	0	107.6	P49 D53	P49-T51 PolarHBondContact O-N 2.62Å; T51-D53 PolarHBondContact O-N 2.97Å
52	P	38.1	Very low	50.5	Low	115 Å²	115	108.9 Å²	108.9	75%	0.747	65%	0.653	S	S	*	*			trans	-60.7	111.8	179.3	10.9	-11.6	0	0	0	109.1	S54	P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.26Å; P52-S54 PolarHBondContact O-OG 3.29Å
53	D	38	Very low	53.3	Low	171 Å²	171	106.4 Å²	106.4	91%	0.914	64%	0.639	S	S	*	*			trans	-63.3	90.2	173.4	-155.1	10.7	0	0	0	107.6	T51	T51-D53 PolarHBondContact O-N 2.97Å
54	S	42.4	Very low	55.8	Low	62 Å²	62	99 Å²	99	43%	0.434	60%	0.599	S	S	.	*			trans	-131.2	107	176	48.9	0	0	0	0	105.5	P52 H56	P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.26Å; P52-S54 PolarHBondContact O-OG 3.29Å; S54-H56 WeakPolarHBondContact CB-CD2 3.32Å; S54-H56 WeakPolarHBondContact CB-NE2 3.27Å; S54-H56 PolarHBondContact O-N 3.36Å; S54-H56 PolarHBondContact OG-CD2 3.06Å; S54-H56 PolarHBondContact OG-NE2 2.98Å
55	S	42.2	Very low	58.9	Low	124 Å²	124	97.6 Å²	97.6	87%	0.867	57%	0.574	S	S	*	*			trans	-65	60.7	176.9	57	0	0	0	0	111	C57	S55-C57 PolarHBondContact O-N 2.91Å
56	H	48.4	Very low	61.6	Low	96 Å²	96	93 Å²	93	44%	0.444	54%	0.541	S	S	.	.			trans	-75.1	103	169.9	-68.8	-76.8	0	0	0	106.7	S54 I58 E68	S54-H56 WeakPolarHBondContact CB-CD2 3.32Å; S54-H56 WeakPolarHBondContact CB-NE2 3.27Å; S54-H56 PolarHBondContact O-N 3.36Å; S54-H56 PolarHBondContact OG-CD2 3.06Å; S54-H56 PolarHBondContact OG-NE2 2.98Å; H56-I58 HydrophobicContact CB-CG1 4.24Å; H56-I58 PolarHBondContact O-N 3.3Å; H56-E68 IonicContact CE1-OE2 3.82Å; H56-E68 IonicContact ND1-OE2 2.66Å
57	C	56.3	Low	64.1	Low	101 Å²	101	87.9 Å²	87.9	68%	0.682	51%	0.506	S	S	*	.			trans	-72	79.3	175.4	-164	0	0	0	0	108.9	S55 S59	S55-C57 PolarHBondContact O-N 2.91Å; C57-S59 PolarHBondContact O-N 2.84Å
58	I	66.6	Low	66.4	Low	99 Å²	99	86 Å²	86	51%	0.508	49%	0.486	S	S	.	.			trans	-71.8	114.6	178.1	-64.2	175.3	0	0	0	107.9	H56 L65 L66	H56-I58 HydrophobicContact CB-CG1 4.24Å; H56-I58 PolarHBondContact O-N 3.3Å; I58-L65 HydrophobicContact CG2-CD1 3.18Å; I58-L65 HydrophobicContact CG2-CD2 3.78Å; I58-L65 HydrophobicContact CG2-CG 3.5Å; I58-L66 WeakPolarHBondContact CA-O 3.43Å
59	S	84.1	Confident	68.8	Low	47 Å²	47	84.2 Å²	84.2	33%	0.329	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.4	-177.9	-64.2	0	0	0	0	110.9	C57 L66	C57-S59 PolarHBondContact O-N 2.84Å; S59-L66 PolarHBondContact N-O 2.89Å; S59-L66 VanDerWaalsContact N-O 3.14Å; S59-L66 WeakPolarHBondContact O-CB 3.36Å; S59-L66 PolarHBondContact O-N 3.06Å
60	R	90.3	Very high	70.8	Confident	148 Å²	148	82.7 Å²	82.7	56%	0.558	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	124	175.6	-178.2	-178.6	175.1	176	3.3	110.9	G62 Y64 L65 L81	R60-G62 PolarHBondContact NE-O 3.02Å; R60-Y64 WeakPolarHBondContact CA-O 3.35Å; R60-L65 HydrophobicContact CB-CD1 4.45Å; R60-L81 HydrophobicContact CG-CD1 4.28Å
61	I	90.3	Very high	72.8	Confident	19 Å²	19	80.1 Å²	80.1	10%	0.097	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	107.4	176.6	-52.4	-63.8	0	0	0	108.5	Y14 D63 Y64 L66 L120 Y127	Y14-I61 HydrophobicContact CD1-CG2 4.31Å; I61-D63 PolarHBondContact O-N 2.94Å; I61-Y64 PolarHBondContact N-O 3.11Å; I61-Y64 PolarHBondContact O-N 3.05Å; I61-L66 HydrophobicContact CG1-CD1 3.74Å; I61-L66 HydrophobicContact CG1-CG 3.99Å; I61-L120 HydrophobicContact CG2-CB 4.32Å; I61-L120 HydrophobicContact CG2-CD1 3.88Å; I61-Y127 HydrophobicContact CD1-CE1 4.13Å; I61-Y127 HydrophobicContact CD1-CE2 4.39Å; I61-Y127 HydrophobicContact CG1-CD1 4.28Å; I61-Y127 HydrophobicContact CG1-CE1 4.07Å; I61-Y127 HydrophobicContact CG2-CD1 4.37Å; I61-Y127 HydrophobicContact CG2-CD2 3.92Å; I61-Y127 HydrophobicContact CG2-CE2 4.24Å; I61-Y127 HydrophobicContact CG2-CG 4Å
62	G	88.9	Confident	74.5	Confident	12 Å²	12	76.9 Å²	76.9	12%	0.124	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-123.7	-172.7	0	0	0	0	0	112	Y14 R60 Y64	Y14-G62 VanDerWaalsContact CE2-N 3.32Å; R60-G62 PolarHBondContact NE-O 3.02Å; G62-Y64 VanDerWaalsContact C-N 3.31Å
63	D	92.3	Very high	76.3	Confident	98 Å²	98	77.5 Å²	77.5	52%	0.524	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	17.2	177	-65.1	-35.6	0	0	0	113.1	I61 H80 L81	I61-D63 PolarHBondContact O-N 2.94Å; D63-H80 PolarHBondContact O-CD2 3.43Å; D63-L81 WeakPolarHBondContact O-CB 3.45Å; D63-L81 VanDerWaalsContact O-CG 3.29Å; D63-L81 WeakPolarHBondContact O-CG 3.47Å; D63-L81 PolarHBondContact O-N 3.42Å
64	Y	95	Very high	78.7	Confident	18 Å²	18	74.4 Å²	74.4	7%	0.071	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.3	179.4	-54.5	-86.6	0	0	0	112.3	R60 I61 G62 A79 H80 L87 E118 L120 F129	R60-Y64 WeakPolarHBondContact CA-O 3.35Å; I61-Y64 PolarHBondContact N-O 3.11Å; I61-Y64 PolarHBondContact O-N 3.05Å; G62-Y64 VanDerWaalsContact C-N 3.31Å; Y64-A79 CarbonylContact C-O 3.58Å; Y64-A79 WeakPolarHBondContact CA-O 3.45Å; Y64-H80 HydrophobicContact CD1-CB 3.93Å; Y64-H80 AromaticContact CD1-CD2 3.85Å; Y64-H80 HydrophobicContact CE1-CB 3.87Å; Y64-H80 AromaticContact CE1-CD2 3.43Å; Y64-H80 VanDerWaalsContact CE1-CD2 3.43Å; Y64-H80 WeakPolarHBondContact CE1-CD2 3.48Å; Y64-H80 AromaticContact CE1-CG 3.96Å; Y64-H80 AromaticContact CZ-CD2 3.81Å; Y64-L87 HydrophobicContact CD1-CD1 3.73Å; Y64-L87 HydrophobicContact CE1-CD1 3.38Å; Y64-E118 VanDerWaalsContact CE2-OE2 3.22Å; Y64-E118 WeakPolarHBondContact CE2-OE2 3.29Å; Y64-E118 PolarHBondContact OH-OE2 3.21Å; Y64-L120 HydrophobicContact CD2-CD1 3.76Å; Y64-L120 HydrophobicContact CE2-CD1 4Å; Y64-F129 AromaticContact CD1-CD1 3.91Å; Y64-F129 HydrophobicContact CD1-CD1 3.91Å; Y64-F129 AromaticContact CD1-CE1 3.83Å; Y64-F129 HydrophobicContact CD1-CE1 3.83Å; Y64-F129 HydrophobicContact CD1-CZ 4.4Å; Y64-F129 HydrophobicContact CD2-CD1 4.35Å; Y64-F129 HydrophobicContact CD2-CD2 4.3Å; Y64-F129 AromaticContact CD2-CE1 3.87Å; Y64-F129 HydrophobicContact CD2-CE1 3.87Å; Y64-F129 AromaticContact CD2-CE2 3.82Å; Y64-F129 HydrophobicContact CD2-CE2 3.82Å; Y64-F129 AromaticContact CD2-CZ 3.58Å; Y64-F129 HydrophobicContact CD2-CZ 3.58Å; Y64-F129 HydrophobicContact CE1-CD1 4.19Å; Y64-F129 HydrophobicContact CE1-CE1 4.49Å; Y64-F129 HydrophobicContact CE1-CG 4.42Å; Y64-F129 HydrophobicContact CE2-CD2 4.18Å; Y64-F129 HydrophobicContact CE2-CE2 4.1Å; Y64-F129 HydrophobicContact CE2-CG 4.45Å; Y64-F129 HydrophobicContact CE2-CZ 4.27Å; Y64-F129 AromaticContact CG-CD1 3.99Å; Y64-F129 HydrophobicContact CG-CD1 3.99Å; Y64-F129 AromaticContact CG-CE1 3.47Å; Y64-F129 HydrophobicContact CG-CE1 3.47Å; Y64-F129 VanDerWaalsContact CG-CE1 3.47Å; Y64-F129 HydrophobicContact CG-CE2 4.3Å; Y64-F129 AromaticContact CG-CZ 3.65Å; Y64-F129 HydrophobicContact CG-CZ 3.65Å
65	L	94.4	Very high	81.1	Confident	47 Å²	47	72.7 Å²	72.7	25%	0.246	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.1	170.7	-164.9	65.8	0	0	0	108.9	I58 R60 L67 A78 A79 L81	I58-L65 HydrophobicContact CG2-CD1 3.18Å; I58-L65 HydrophobicContact CG2-CD2 3.78Å; I58-L65 HydrophobicContact CG2-CG 3.5Å; R60-L65 HydrophobicContact CB-CD1 4.45Å; L65-L67 HydrophobicContact CD2-CD2 3.74Å; L65-L67 HydrophobicContact CG-CD2 3.91Å; L65-A78 CarbonylContact O-C 3.53Å; L65-A78 WeakPolarHBondContact O-CA 3.46Å; L65-A79 PolarHBondContact N-O 3.49Å; L65-A79 PolarHBondContact O-N 3.26Å; L65-L81 HydrophobicContact CB-CD2 4.14Å
66	L	92.9	Very high	83.6	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.052	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.4	169.1	-58.7	-174.1	0	0	0	109	I58 S59 I61 F76 A78 C89 Y127 F129	I58-L66 WeakPolarHBondContact CA-O 3.43Å; S59-L66 PolarHBondContact N-O 2.89Å; S59-L66 VanDerWaalsContact N-O 3.14Å; S59-L66 WeakPolarHBondContact O-CB 3.36Å; S59-L66 PolarHBondContact O-N 3.06Å; I61-L66 HydrophobicContact CG1-CD1 3.74Å; I61-L66 HydrophobicContact CG1-CG 3.99Å; L66-F76 HydrophobicContact CD2-CB 4.44Å; L66-A78 HydrophobicContact CD2-CB 3.95Å; L66-C89 HydrophobicContact CD2-CB 3.53Å; L66-Y127 HydrophobicContact CD1-CD1 4.01Å; L66-Y127 HydrophobicContact CD1-CE1 3.91Å; L66-F129 HydrophobicContact CD2-CE1 4.21Å; L66-F129 HydrophobicContact CD2-CZ 4.49Å
67	L	91.1	Very high	85.8	Confident	26 Å²	26	67.2 Å²	67.2	14%	0.136	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-145.3	-177.3	-56	179.2	0	0	0	109.1	L65 R77 A79	L65-L67 HydrophobicContact CD2-CD2 3.74Å; L65-L67 HydrophobicContact CG-CD2 3.91Å; L67-R77 HydrophobicContact CB-CB 4.31Å; L67-R77 WeakPolarHBondContact CB-O 3.22Å; L67-R77 HydrophobicContact CD1-CG 4.24Å; L67-R77 PolarHBondContact N-O 3.31Å; L67-A79 HydrophobicContact CD1-CB 4.36Å
68	E	86.5	Confident	87.6	Confident	66 Å²	66	62.4 Å²	62.4	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	146.5	177.9	57.7	-87.4	165.4	0	0	114.3	H56 R77	H56-E68 IonicContact CE1-OE2 3.82Å; H56-E68 IonicContact ND1-OE2 2.66Å; E68-R77 PolarHBondContact O-N 3.29Å; E68-R77 IonicContact OE1-NH1 2.73Å; E68-R77 PolarHBondContact OE1-NH1 2.69Å; E68-R77 VanDerWaalsContact OE1-NH1 3.08Å
69	P	89.5	Confident	89	Confident	73 Å²	73	58.7 Å²	58.7	47%	0.474	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.8	166.3	27.3	-32.3	0	0	0	110.8	G72 V75 F76	P69-G72 VanDerWaalsContact CB-O 3.23Å; P69-G72 WeakPolarHBondContact CB-O 3.49Å; P69-V75 WeakPolarHBondContact CA-O 3.43Å; P69-F76 HydrophobicContact CB-CD1 4.14Å; P69-F76 HydrophobicContact CB-CE1 4.01Å
70	L	84.9	Confident	89.5	Confident	91 Å²	91	58.4 Å²	58.4	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-43	177.1	-65.3	173.9	0	0	0	111.8	V75 R77 I88	L70-V75 HydrophobicContact CB-CG1 4.45Å; L70-V75 PolarHBondContact N-O 3.37Å; L70-R77 HydrophobicContact CD1-CB 4.26Å; L70-R77 HydrophobicContact CD2-CB 4.45Å; L70-R77 HydrophobicContact CG-CB 4.34Å; L70-I88 HydrophobicContact CD1-CD1 3.41Å; L70-I88 VanDerWaalsContact CD1-CD1 3.41Å
71	E	76.1	Confident	89.6	Confident	138 Å²	138	55.3 Å²	55.3	65%	0.645	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	99.7	-179.5	-67.2	-169.7	172.4	0	0	110.2	V75	E71-V75 HydrophobicContact CB-CB 4.29Å; E71-V75 HydrophobicContact CB-CG2 4.4Å
72	G	75.7	Confident	89.6	Confident	54 Å²	54	63.1 Å²	63.1	56%	0.557	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-152.1	-175.1	0	0	0	0	0	112.4	P69	P69-G72 VanDerWaalsContact CB-O 3.23Å; P69-G72 WeakPolarHBondContact CB-O 3.49Å
73	D	77.4	Confident	89.8	Confident	127 Å²	127	65.5 Å²	65.5	68%	0.679	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	19.3	-174.7	-60.7	-21.2	0	0	0	113.1	F76	D73-F76 WeakPolarHBondContact O-CE2 3.38Å
74	H	87	Confident	89.8	Confident	107 Å²	107	63.3 Å²	63.3	50%	0.495	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-14.6	-172.9	-59.1	-48.7	0	0	0	114.1	K90 V91	H74-K90 CarbonylContact O-C 3.57Å; H74-K90 WeakPolarHBondContact O-CA 3.02Å; H74-V91 PolarHBondContact O-N 2.73Å
75	V	92.8	Very high	89.8	Confident	25 Å²	25	67 Å²	67	15%	0.152	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122	179.4	-172.4	0	0	0	0	109.3	P69 L70 E71 I88 C89 K90	P69-V75 WeakPolarHBondContact CA-O 3.43Å; L70-V75 HydrophobicContact CB-CG1 4.45Å; L70-V75 PolarHBondContact N-O 3.37Å; E71-V75 HydrophobicContact CB-CB 4.29Å; E71-V75 HydrophobicContact CB-CG2 4.4Å; V75-I88 HydrophobicContact CG1-CG2 3.69Å; V75-C89 WeakPolarHBondContact CA-O 3.26Å; V75-K90 HydrophobicContact CG1-CG 4.46Å; V75-K90 HydrophobicContact CG2-CG 4.28Å
76	F	94.3	Very high	89.8	Confident	39 Å²	39	68 Å²	68	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147	-175.4	-62.1	-95.5	0	0	0	110.5	L66 P69 D73 C89 V91	L66-F76 HydrophobicContact CD2-CB 4.44Å; P69-F76 HydrophobicContact CB-CD1 4.14Å; P69-F76 HydrophobicContact CB-CE1 4.01Å; D73-F76 WeakPolarHBondContact O-CE2 3.38Å; F76-C89 HydrophobicContact CB-CB 4.44Å; F76-C89 PolarHBondContact N-O 2.84Å; F76-C89 PolarHBondContact O-N 3.47Å; F76-V91 HydrophobicContact CD2-CG2 3.74Å; F76-V91 HydrophobicContact CE2-CB 4.47Å; F76-V91 HydrophobicContact CE2-CG2 3.68Å
77	R	94.7	Very high	89.9	Confident	66 Å²	66	68 Å²	68	25%	0.249	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.3	159.2	-173.8	168.1	160.5	-100.5	-5	108.2	L67 E68 L70 E86	L67-R77 HydrophobicContact CB-CB 4.31Å; L67-R77 WeakPolarHBondContact CB-O 3.22Å; L67-R77 HydrophobicContact CD1-CG 4.24Å; L67-R77 PolarHBondContact N-O 3.31Å; E68-R77 PolarHBondContact O-N 3.29Å; E68-R77 IonicContact OE1-NH1 2.73Å; E68-R77 PolarHBondContact OE1-NH1 2.69Å; E68-R77 VanDerWaalsContact OE1-NH1 3.08Å; L70-R77 HydrophobicContact CD1-CB 4.26Å; L70-R77 HydrophobicContact CD2-CB 4.45Å; L70-R77 HydrophobicContact CG-CB 4.34Å; R77-E86 IonicContact CZ-OE1 2.87Å; R77-E86 IonicContact CZ-OE2 2.89Å; R77-E86 IonicContact NE-OE1 3.84Å; R77-E86 IonicContact NE-OE2 2.76Å; R77-E86 PolarHBondContact NE-OE2 3.36Å; R77-E86 IonicContact NH2-OE1 3.74Å; R77-E86 PolarHBondContact NH2-OE1 2.98Å; R77-E86 IonicContact NH2-OE2 3.61Å
78	A	95.4	Very high	90.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	178.6	0	0	0	0	0	110.9	L65 L66 E86 L87 C89 F129	L65-A78 CarbonylContact O-C 3.53Å; L65-A78 WeakPolarHBondContact O-CA 3.46Å; L66-A78 HydrophobicContact CD2-CB 3.95Å; A78-E86 WeakPolarHBondContact O-CA 3.48Å; A78-L87 HydrophobicContact CB-CB 4.21Å; A78-L87 PolarHBondContact N-O 2.86Å; A78-L87 PolarHBondContact O-N 3.37Å; A78-C89 HydrophobicContact CB-CB 4.02Å; A78-F129 HydrophobicContact CB-CD1 4.21Å; A78-F129 HydrophobicContact CB-CE1 3.95Å
79	A	95.4	Very high	90.6	Very high	21 Å²	21	65.1 Å²	65.1	17%	0.174	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.1	172.1	0	0	0	0	0	110	Y64 L65 L67 D85	Y64-A79 CarbonylContact C-O 3.58Å; Y64-A79 WeakPolarHBondContact CA-O 3.45Å; L65-A79 PolarHBondContact N-O 3.49Å; L65-A79 PolarHBondContact O-N 3.26Å; L67-A79 HydrophobicContact CD1-CB 4.36Å; A79-D85 WeakPolarHBondContact CA-O 3.39Å
80	H	94.9	Very high	90.9	Very high	42 Å²	42	62.8 Å²	62.8	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.4	172.4	-177.6	-116.2	0	0	0	109.8	D63 Y64 H82 S83 G84 D85 L87	D63-H80 PolarHBondContact O-CD2 3.43Å; Y64-H80 HydrophobicContact CD1-CB 3.93Å; Y64-H80 AromaticContact CD1-CD2 3.85Å; Y64-H80 HydrophobicContact CE1-CB 3.87Å; Y64-H80 AromaticContact CE1-CD2 3.43Å; Y64-H80 VanDerWaalsContact CE1-CD2 3.43Å; Y64-H80 WeakPolarHBondContact CE1-CD2 3.48Å; Y64-H80 AromaticContact CE1-CG 3.96Å; Y64-H80 AromaticContact CZ-CD2 3.81Å; H80-H82 VanDerWaalsContact C-N 3.28Å; H80-H82 PolarHBondContact O-N 2.78Å; H80-S83 PolarHBondContact ND1-N 2.89Å; H80-S83 PolarHBondContact ND1-OG 3.14Å; H80-G84 VanDerWaalsContact O-CA 3.27Å; H80-G84 WeakPolarHBondContact O-CA 3.37Å; H80-G84 PolarHBondContact O-N 3.44Å; H80-D85 PolarHBondContact N-O 3.43Å; H80-L87 HydrophobicContact CB-CD1 4.3Å
81	L	91.7	Very high	91.3	Very high	83 Å²	83	59.3 Å²	59.3	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.1	-169.3	-70.8	176	0	0	0	113.4	R60 D63 L65	R60-L81 HydrophobicContact CG-CD1 4.28Å; D63-L81 WeakPolarHBondContact O-CB 3.45Å; D63-L81 VanDerWaalsContact O-CG 3.29Å; D63-L81 WeakPolarHBondContact O-CG 3.47Å; D63-L81 PolarHBondContact O-N 3.42Å; L65-L81 HydrophobicContact CB-CD2 4.14Å
82	H	90.7	Very high	92.2	Very high	182 Å²	182	53.8 Å²	53.8	84%	0.843	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-44.4	-175.4	-159.6	64.2	0	0	0	113.3	H80	H80-H82 VanDerWaalsContact C-N 3.28Å; H80-H82 PolarHBondContact O-N 2.78Å
83	S	93.8	Very high	93.1	Very high	62 Å²	62	54.6 Å²	54.6	43%	0.434	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-22.6	-179.2	58.9	0	0	0	0	113.2	H80 D85	H80-S83 PolarHBondContact ND1-N 2.89Å; H80-S83 PolarHBondContact ND1-OG 3.14Å; S83-D85 WeakPolarHBondContact CB-OD2 3.18Å; S83-D85 PolarHBondContact O-N 2.79Å; S83-D85 PolarHBondContact OG-N 2.84Å; S83-D85 PolarHBondContact OG-OD2 3.28Å
84	G	92.3	Very high	93.9	Very high	53 Å²	53	51.2 Å²	51.2	55%	0.546	27%	0.272	S	S	.	.			trans	75.7	6.9	-171	0	0	0	0	0	113.7	H80 E86	H80-G84 VanDerWaalsContact O-CA 3.27Å; H80-G84 WeakPolarHBondContact O-CA 3.37Å; H80-G84 PolarHBondContact O-N 3.44Å; G84-E86 PolarHBondContact O-N 2.84Å
85	D	93.8	Very high	94.2	Very high	95 Å²	95	49 Å²	49	51%	0.508	28%	0.278	S	S	.	.			trans	-64.8	133.7	-179.1	-64.1	-40.1	0	0	0	110.9	A79 H80 S83	A79-D85 WeakPolarHBondContact CA-O 3.39Å; H80-D85 PolarHBondContact N-O 3.43Å; S83-D85 WeakPolarHBondContact CB-OD2 3.18Å; S83-D85 PolarHBondContact O-N 2.79Å; S83-D85 PolarHBondContact OG-N 2.84Å; S83-D85 PolarHBondContact OG-OD2 3.28Å
86	E	94.9	Very high	94.2	Very high	67 Å²	67	56 Å²	56	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.9	173.4	-70.1	-175.9	-170	0	0	111.2	R77 A78 G84 R132	R77-E86 IonicContact CZ-OE1 2.87Å; R77-E86 IonicContact CZ-OE2 2.89Å; R77-E86 IonicContact NE-OE1 3.84Å; R77-E86 IonicContact NE-OE2 2.76Å; R77-E86 PolarHBondContact NE-OE2 3.36Å; R77-E86 IonicContact NH2-OE1 3.74Å; R77-E86 PolarHBondContact NH2-OE1 2.98Å; R77-E86 IonicContact NH2-OE2 3.61Å; A78-E86 WeakPolarHBondContact O-CA 3.48Å; G84-E86 PolarHBondContact O-N 2.84Å; E86-R132 VanDerWaalsContact CD-NH1 3.25Å; E86-R132 WeakPolarHBondContact O-CB 3.43Å; E86-R132 IonicContact OE1-NH1 3.87Å; E86-R132 IonicContact OE2-CZ 3.59Å; E86-R132 IonicContact OE2-NH1 2.89Å; E86-R132 PolarHBondContact OE2-NH1 3.47Å
87	L	95.7	Very high	94.2	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	170.4	-172.2	-59.3	177.2	0	0	0	110.8	Y64 A78 H80 L117 F129 F130	Y64-L87 HydrophobicContact CD1-CD1 3.73Å; Y64-L87 HydrophobicContact CE1-CD1 3.38Å; A78-L87 HydrophobicContact CB-CB 4.21Å; A78-L87 PolarHBondContact N-O 2.86Å; A78-L87 PolarHBondContact O-N 3.37Å; H80-L87 HydrophobicContact CB-CD1 4.3Å; L87-L117 HydrophobicContact CD1-CD1 4.43Å; L87-L117 HydrophobicContact CD2-CD1 3.61Å; L87-F129 HydrophobicContact CD1-CD1 4.43Å; L87-F130 WeakPolarHBondContact CA-O 3.24Å; L87-F130 WeakPolarHBondContact CB-O 3.35Å
88	I	96	Very high	94.1	Very high	32 Å²	32	57.9 Å²	57.9	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	168.6	-56.9	-63.4	0	0	0	108	L70 V75 F129 F130	L70-I88 HydrophobicContact CD1-CD1 3.41Å; L70-I88 VanDerWaalsContact CD1-CD1 3.41Å; V75-I88 HydrophobicContact CG1-CG2 3.69Å; I88-F129 CarbonylContact O-C 3.6Å; I88-F129 WeakPolarHBondContact O-CA 3.21Å; I88-F130 HydrophobicContact CB-CB 4.49Å; I88-F130 PolarHBondContact N-O 2.9Å; I88-F130 PolarHBondContact O-N 3.13Å
89	C	96.1	Very high	94	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.6	172.8	176.3	0	0	0	0	109.7	L66 V75 F76 A78 V128 F129	L66-C89 HydrophobicContact CD2-CB 3.53Å; V75-C89 WeakPolarHBondContact CA-O 3.26Å; F76-C89 HydrophobicContact CB-CB 4.44Å; F76-C89 PolarHBondContact N-O 2.84Å; F76-C89 PolarHBondContact O-N 3.47Å; A78-C89 HydrophobicContact CB-CB 4.02Å; C89-V128 CarbonylContact C-O 3.6Å; C89-V128 WeakPolarHBondContact CA-O 3.46Å; C89-F129 HydrophobicContact CB-CD1 3.93Å; C89-F129 HydrophobicContact CB-CE1 3.73Å; C89-F129 HydrophobicContact CB-CZ 4.39Å
90	K	95.3	Very high	93.9	Very high	25 Å²	25	66.1 Å²	66.1	11%	0.109	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.6	169.2	-63.9	-164.3	-179	-165.7	0	110.3	H74 V75 F92 V128 F130 E197	H74-K90 CarbonylContact O-C 3.57Å; H74-K90 WeakPolarHBondContact O-CA 3.02Å; V75-K90 HydrophobicContact CG1-CG 4.46Å; V75-K90 HydrophobicContact CG2-CG 4.28Å; K90-F92 HydrophobicContact CB-CD2 4.37Å; K90-F92 HydrophobicContact CB-CE2 3.51Å; K90-F92 HydrophobicContact CB-CZ 3.99Å; K90-F92 HydrophobicContact CD-CZ 4.25Å; K90-V128 PolarHBondContact N-O 2.81Å; K90-V128 PolarHBondContact O-N 3.14Å; K90-F130 HydrophobicContact CB-CE2 4.3Å; K90-F130 HydrophobicContact CD-CE2 4.08Å; K90-F130 HydrophobicContact CG-CD2 4.34Å; K90-F130 HydrophobicContact CG-CE2 4.08Å; K90-E197 IonicContact NZ-OE1 3.73Å; K90-E197 PolarHBondContact NZ-OE1 2.72Å
91	V	94.5	Very high	93.9	Very high	17 Å²	17	64.1 Å²	64.1	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.9	-176	-174.1	0	0	0	0	110	H74 F76 R125 A126 Y127	H74-V91 PolarHBondContact O-N 2.73Å; F76-V91 HydrophobicContact CD2-CG2 3.74Å; F76-V91 HydrophobicContact CE2-CB 4.47Å; F76-V91 HydrophobicContact CE2-CG2 3.68Å; V91-R125 HydrophobicContact CG1-CB 3.93Å; V91-R125 HydrophobicContact CG1-CG 4.06Å; V91-A126 WeakPolarHBondContact CA-O 3.26Å; V91-Y127 HydrophobicContact CG1-CD1 4.41Å; V91-Y127 HydrophobicContact CG1-CE1 4.23Å; V91-Y127 HydrophobicContact CG2-CD1 3.81Å; V91-Y127 HydrophobicContact CG2-CE1 4.04Å
92	F	94.3	Very high	94	Very high	22 Å²	22	61.8 Å²	61.8	10%	0.096	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	158.9	179.4	-60.8	-94	0	0	0	110.9	K90 L101 R125 A126 V128 E197	K90-F92 HydrophobicContact CB-CD2 4.37Å; K90-F92 HydrophobicContact CB-CE2 3.51Å; K90-F92 HydrophobicContact CB-CZ 3.99Å; K90-F92 HydrophobicContact CD-CZ 4.25Å; F92-L101 HydrophobicContact CE2-CD2 4.23Å; F92-L101 HydrophobicContact CZ-CD2 4.03Å; F92-R125 CarbonylContact O-C 3.57Å; F92-R125 VanDerWaalsContact O-CA 3.29Å; F92-R125 WeakPolarHBondContact O-CA 3.18Å; F92-A126 HydrophobicContact CB-CB 4.43Å; F92-A126 PolarHBondContact N-O 2.85Å; F92-A126 PolarHBondContact O-N 3.06Å; F92-V128 HydrophobicContact CD2-CB 4.3Å; F92-V128 HydrophobicContact CD2-CG2 3.52Å; F92-V128 HydrophobicContact CE2-CB 3.96Å; F92-V128 HydrophobicContact CE2-CG2 3.6Å; F92-E197 HydrophobicContact CE1-CG 4.41Å; F92-E197 HydrophobicContact CZ-CG 4.44Å
93	D	94.4	Very high	94.2	Very high	72 Å²	72	53.3 Å²	53.3	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.6	163.8	-178.8	-95.9	0	0	0	110.3	G95 R96 Y97	D93-G95 PolarHBondContact O-N 2.91Å; D93-G95 VanDerWaalsContact OD1-CA 3.3Å; D93-G95 WeakPolarHBondContact OD1-CA 3.44Å; D93-G95 PolarHBondContact OD1-N 2.86Å; D93-R96 HydrophobicContact CB-CB 4.44Å; D93-R96 PolarHBondContact O-N 3.21Å; D93-R96 PolarHBondContact OD1-N 2.93Å; D93-Y97 PolarHBondContact O-N 3.21Å
94	I	93.6	Very high	94.3	Very high	55 Å²	55	51.1 Å²	51.1	28%	0.282	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.4	-176.8	-162.4	167	0	0	0	113.1	R96 Y97 L121 G122 T124	I94-R96 VanDerWaalsContact C-N 3.34Å; I94-Y97 HydrophobicContact CG1-CD1 4.48Å; I94-Y97 HydrophobicContact CG1-CE1 4.4Å; I94-Y97 WeakPolarHBondContact O-CD1 3.38Å; I94-Y97 WeakPolarHBondContact O-CE1 3.35Å; I94-L121 HydrophobicContact CD1-CB 4.29Å; I94-L121 HydrophobicContact CG1-CD2 4.49Å; I94-G122 VanDerWaalsContact CD1-O 3.26Å; I94-G122 WeakPolarHBondContact CD1-O 3.32Å; I94-T124 WeakPolarHBondContact CG2-O 3.43Å; I94-T124 PolarHBondContact N-O 2.84Å; I94-T124 VanDerWaalsContact N-O 3.07Å
95	G	93.4	Very high	94.4	Very high	61 Å²	61	52.7 Å²	52.7	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.7	175.7	0	0	0	0	0	113.5	D93	D93-G95 PolarHBondContact O-N 2.91Å; D93-G95 VanDerWaalsContact OD1-CA 3.3Å; D93-G95 WeakPolarHBondContact OD1-CA 3.44Å; D93-G95 PolarHBondContact OD1-N 2.86Å
96	R	92.3	Very high	94.3	Very high	172 Å²	172	50.9 Å²	50.9	65%	0.649	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-12.7	-172.7	-61.4	-171	-180	-157.3	-1	115.2	D93 I94 Q98 E99 S100	D93-R96 HydrophobicContact CB-CB 4.44Å; D93-R96 PolarHBondContact O-N 3.21Å; D93-R96 PolarHBondContact OD1-N 2.93Å; I94-R96 VanDerWaalsContact C-N 3.34Å; R96-Q98 PolarHBondContact O-N 3.14Å; R96-Q98 VanDerWaalsContact O-N 3.13Å; R96-E99 PolarHBondContact O-N 3.18Å; R96-S100 PolarHBondContact O-N 2.71Å; R96-S100 VanDerWaalsContact O-N 3.1Å; R96-S100 PolarHBondContact O-OG 2.85Å
97	Y	94.4	Very high	94.2	Very high	20 Å²	20	48.2 Å²	48.2	8%	0.078	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-34.1	-174.9	83.5	-81.5	0	0	0	113.3	D93 I94 E99 S100 L101 I119 L121 A126	D93-Y97 PolarHBondContact O-N 3.21Å; I94-Y97 HydrophobicContact CG1-CD1 4.48Å; I94-Y97 HydrophobicContact CG1-CE1 4.4Å; I94-Y97 WeakPolarHBondContact O-CD1 3.38Å; I94-Y97 WeakPolarHBondContact O-CE1 3.35Å; Y97-E99 PolarHBondContact O-N 3.44Å; Y97-S100 PolarHBondContact O-N 3.17Å; Y97-L101 HydrophobicContact CD2-CD1 4.02Å; Y97-L101 VanDerWaalsContact O-CB 3.29Å; Y97-L101 WeakPolarHBondContact O-CB 3.46Å; Y97-L101 WeakPolarHBondContact O-CG 3.39Å; Y97-L101 PolarHBondContact O-N 3.43Å; Y97-I119 HydrophobicContact CD2-CG2 4.47Å; Y97-I119 HydrophobicContact CE2-CG2 4.4Å; Y97-L121 HydrophobicContact CD1-CD2 4.4Å; Y97-L121 HydrophobicContact CE1-CD2 3.94Å; Y97-L121 HydrophobicContact CE2-CD2 4.12Å; Y97-A126 HydrophobicContact CD1-CB 4Å; Y97-A126 HydrophobicContact CD2-CB 4.21Å; Y97-A126 HydrophobicContact CG-CB 3.7Å
98	Q	94	Very high	93.8	Very high	124 Å²	124	49 Å²	49	58%	0.579	27%	0.268	S	S	*	.	H	α-helix	trans	-65.5	-39.7	179.4	-64.5	-171.7	-50.7	0	0	112.2	R96 A102	R96-Q98 PolarHBondContact O-N 3.14Å; R96-Q98 VanDerWaalsContact O-N 3.13Å; Q98-A102 WeakPolarHBondContact O-CA 3.42Å; Q98-A102 PolarHBondContact O-N 2.74Å
99	E	92.4	Very high	93.6	Very high	153 Å²	153	52.8 Å²	52.8	72%	0.715	29%	0.285	S	S	*	.	H	α-helix	trans	-68.2	-46.5	176.3	-63.7	177.1	178.3	0	0	110.2	R96 Y97 L101 A102	R96-E99 PolarHBondContact O-N 3.18Å; Y97-E99 PolarHBondContact O-N 3.44Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 3.26Å; E99-A102 WeakPolarHBondContact O-CB 3.2Å; E99-A102 PolarHBondContact O-N 3.33Å
100	S	92.8	Very high	93.6	Very high	42 Å²	42	54.4 Å²	54.4	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-29.8	178.3	-58.1	0	0	0	0	113.5	R96 Y97	R96-S100 PolarHBondContact O-N 2.71Å; R96-S100 VanDerWaalsContact O-N 3.1Å; R96-S100 PolarHBondContact O-OG 2.85Å; Y97-S100 PolarHBondContact O-N 3.17Å
101	L	95.2	Very high	93.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5.9	-179.4	-57.2	176.6	0	0	0	113.4	F92 Y97 E99 A103 Y104 F105 I116 I119 V128	F92-L101 HydrophobicContact CE2-CD2 4.23Å; F92-L101 HydrophobicContact CZ-CD2 4.03Å; Y97-L101 HydrophobicContact CD2-CD1 4.02Å; Y97-L101 VanDerWaalsContact O-CB 3.29Å; Y97-L101 WeakPolarHBondContact O-CB 3.46Å; Y97-L101 WeakPolarHBondContact O-CG 3.39Å; Y97-L101 PolarHBondContact O-N 3.43Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 3.26Å; L101-A103 PolarHBondContact O-N 3.22Å; L101-A103 VanDerWaalsContact O-N 3.09Å; L101-Y104 HydrophobicContact CB-CD2 4.25Å; L101-Y104 HydrophobicContact CD2-CD2 3.81Å; L101-Y104 HydrophobicContact CD2-CE2 3.87Å; L101-Y104 WeakPolarHBondContact O-CB 3.41Å; L101-Y104 PolarHBondContact O-N 2.87Å; L101-F105 HydrophobicContact CB-CD2 4.28Å; L101-F105 HydrophobicContact CB-CE2 3.67Å; L101-F105 HydrophobicContact CB-CZ 4.11Å; L101-F105 HydrophobicContact CD1-CZ 4.42Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 2.84Å; L101-I116 HydrophobicContact CB-CD1 4.46Å; L101-I116 HydrophobicContact CD1-CD1 4.11Å; L101-I116 HydrophobicContact CD2-CD1 4.15Å; L101-I116 HydrophobicContact CG-CD1 4.47Å; L101-I119 HydrophobicContact CD1-CD1 3.79Å; L101-V128 HydrophobicContact CD1-CG1 4.26Å; L101-V128 HydrophobicContact CD1-CG2 3.69Å
102	A	94.8	Very high	93.8	Very high	33 Å²	33	58.3 Å²	58.3	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-52.5	-39.2	-175.2	0	0	0	0	0	112.5	Q98 E99 Y104 F105 A106 I201	Q98-A102 WeakPolarHBondContact O-CA 3.42Å; Q98-A102 PolarHBondContact O-N 2.74Å; E99-A102 WeakPolarHBondContact O-CB 3.2Å; E99-A102 PolarHBondContact O-N 3.33Å; A102-Y104 PolarHBondContact O-N 3.15Å; A102-F105 PolarHBondContact O-N 3.08Å; A102-A106 WeakPolarHBondContact O-CB 3.29Å; A102-A106 PolarHBondContact O-N 3.39Å; A102-I201 HydrophobicContact CB-CD1 3.83Å
103	A	95.1	Very high	93.9	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-37.4	177.9	0	0	0	0	0	113.1	L101 F105 A106 L107 L171 L196 S199	L101-A103 PolarHBondContact O-N 3.22Å; L101-A103 VanDerWaalsContact O-N 3.09Å; A103-F105 VanDerWaalsContact C-N 3.32Å; A103-F105 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 3.34Å; A103-L107 VanDerWaalsContact O-CB 3.22Å; A103-L107 WeakPolarHBondContact O-CB 3.37Å; A103-L107 PolarHBondContact O-N 3.14Å; A103-L171 HydrophobicContact CB-CD1 4.33Å; A103-L171 HydrophobicContact CB-CD2 4.12Å; A103-L196 HydrophobicContact CB-CB 3.81Å; A103-L196 HydrophobicContact CB-CD1 4.34Å; A103-S199 WeakPolarHBondContact CB-OG 3.34Å
104	Y	95.2	Very high	94	Very high	15 Å²	15	54.4 Å²	54.4	6%	0.059	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-33.9	175.2	-67.1	-86.8	0	0	0	112	L101 A102 N114 I116 F130 S195 L196	L101-Y104 HydrophobicContact CB-CD2 4.25Å; L101-Y104 HydrophobicContact CD2-CD2 3.81Å; L101-Y104 HydrophobicContact CD2-CE2 3.87Å; L101-Y104 WeakPolarHBondContact O-CB 3.41Å; L101-Y104 PolarHBondContact O-N 2.87Å; A102-Y104 PolarHBondContact O-N 3.15Å; Y104-N114 VanDerWaalsContact CE1-O 3.32Å; Y104-N114 WeakPolarHBondContact CE1-O 3.36Å; Y104-I116 HydrophobicContact CD1-CD1 4.01Å; Y104-I116 HydrophobicContact CD1-CG1 3.93Å; Y104-I116 HydrophobicContact CD2-CD1 3.97Å; Y104-I116 HydrophobicContact CE1-CG1 4.33Å; Y104-I116 HydrophobicContact CG-CD1 3.59Å; Y104-I116 HydrophobicContact CG-CG1 4.05Å; Y104-F130 AromaticContact CE1-CE1 3.95Å; Y104-F130 HydrophobicContact CE1-CE1 3.95Å; Y104-F130 AromaticContact CZ-CE1 3.98Å; Y104-S195 VanDerWaalsContact OH-CA 3.3Å; Y104-S195 WeakPolarHBondContact OH-CA 3.14Å; Y104-S195 PolarHBondContact OH-OG 3.42Å; Y104-L196 HydrophobicContact CD1-CD1 3.92Å; Y104-L196 HydrophobicContact CD2-CB 4.26Å; Y104-L196 HydrophobicContact CE1-CB 4.4Å; Y104-L196 HydrophobicContact CE1-CD1 4.06Å; Y104-L196 HydrophobicContact CE1-CG 4.2Å; Y104-L196 HydrophobicContact CE2-CB 3.93Å; Y104-L196 HydrophobicContact CG-CD1 4.22Å; Y104-L196 PolarHBondContact OH-N 3.32Å
105	F	93.8	Very high	94	Very high	86 Å²	86	54.4 Å²	54.4	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-75.7	-29.2	176.8	-59.7	-51.4	0	0	0	112.8	I9 I11 L101 A102 A103 I119	I9-F105 HydrophobicContact CD1-CD1 3.76Å; I9-F105 HydrophobicContact CD1-CE1 3.71Å; I11-F105 HydrophobicContact CD1-CE1 4.41Å; I11-F105 HydrophobicContact CD1-CZ 4.48Å; L101-F105 HydrophobicContact CB-CD2 4.28Å; L101-F105 HydrophobicContact CB-CE2 3.67Å; L101-F105 HydrophobicContact CB-CZ 4.11Å; L101-F105 HydrophobicContact CD1-CZ 4.42Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 2.84Å; A102-F105 PolarHBondContact O-N 3.08Å; A103-F105 VanDerWaalsContact C-N 3.32Å; A103-F105 PolarHBondContact O-N 2.81Å; F105-I119 HydrophobicContact CE1-CD1 4.15Å; F105-I119 HydrophobicContact CZ-CD1 3.8Å
106	A	91.4	Very high	94.1	Very high	57 Å²	57	52.1 Å²	52.1	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-80.8	-25.5	177.7	0	0	0	0	0	113.1	A102 A103 I201	A102-A106 WeakPolarHBondContact O-CB 3.29Å; A102-A106 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 3.34Å; A106-I201 HydrophobicContact CB-CD1 4.12Å
107	L	92.8	Very high	94.2	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	25%	0.248	C	C	.	.	S	Bend	trans	-93.9	137.4	-173.1	-161.6	58	0	0	0	112.7	A103 I113 N169 L171 L196	A103-L107 VanDerWaalsContact O-CB 3.22Å; A103-L107 WeakPolarHBondContact O-CB 3.37Å; A103-L107 PolarHBondContact O-N 3.14Å; L107-I113 HydrophobicContact CD2-CD1 3.51Å; L107-I113 HydrophobicContact CD2-CG2 4.39Å; L107-N169 HydrophobicContact CD1-CB 3.46Å; L107-N169 VanDerWaalsContact CD1-CB 3.46Å; L107-L171 HydrophobicContact CB-CD1 3.92Å; L107-L171 HydrophobicContact CD1-CD1 3.69Å; L107-L171 HydrophobicContact CD2-CD1 3.77Å; L107-L171 HydrophobicContact CG-CD1 3.99Å; L107-L196 HydrophobicContact CD2-CD1 3.69Å
108	G	88.8	Confident	94.3	Very high	25 Å²	25	48.1 Å²	48.1	26%	0.258	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67	157.2	166.9	0	0	0	0	0	112.1	H165	G108-H165 PolarHBondContact O-NE2 3.32Å
109	Q	90.8	Very high	94.4	Very high	112 Å²	112	42.2 Å²	42.2	52%	0.523	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60	142	176.1	-67.4	-177.1	-2.7	0	0	111.2
110	H	95.7	Very high	94.5	Very high	35 Å²	35	35.1 Å²	35.1	16%	0.162	19%	0.193	C	C	.	.			trans	-147.9	139.7	176.5	-176.3	-89.3	0	0	0	110.4	H112 I113 Q115 S161 H165	H110-H112 AromaticContact CE1-CD2 3.74Å; H110-H112 PolarHBondContact ND1-N 3.11Å; H110-H112 VanDerWaalsContact ND1-N 3.13Å; H110-H112 PolarHBondContact O-N 2.84Å; H110-I113 HydrophobicContact CB-CB 4.3Å; H110-I113 HydrophobicContact CB-CD1 3.95Å; H110-I113 HydrophobicContact CB-CG1 4.08Å; H110-I113 PolarHBondContact O-N 2.85Å; H110-I113 VanDerWaalsContact O-N 3.13Å; H110-Q115 PolarHBondContact O-NE2 2.88Å; H110-S161 PolarHBondContact CE1-OG 3.22Å; H110-S161 PolarHBondContact NE2-OG 3.17Å; H110-S161 VanDerWaalsContact NE2-OG 3.14Å; H110-H165 AromaticContact CD2-CG 3.49Å; H110-H165 VanDerWaalsContact CD2-CG 3.49Å; H110-H165 AromaticContact CD2-ND1 3.64Å; H110-H165 AromaticContact CG-CD2 3.96Å; H110-H165 AromaticContact CG-CG 3.79Å
111	E	95.9	Very high	94.7	Very high	110 Å²	110	34 Å²	34	51%	0.514	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.5	-172.1	-173.7	178.6	165.7	0	0	113.5	K184	E111-K184 PolarHBondContact O-NZ 3.15Å
112	H	97.9	Very high	94.5	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.06	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	22.8	-177.5	-53.7	-58.3	0	0	0	113.3	H110 Q158 A162 V191 K192 L193	H110-H112 AromaticContact CE1-CD2 3.74Å; H110-H112 PolarHBondContact ND1-N 3.11Å; H110-H112 VanDerWaalsContact ND1-N 3.13Å; H110-H112 PolarHBondContact O-N 2.84Å; H112-Q158 WeakPolarHBondContact CE1-CG 3.36Å; H112-Q158 PolarHBondContact CE1-OE1 3.46Å; H112-Q158 PolarHBondContact ND1-OE1 2.81Å; H112-A162 HydrophobicContact CB-CB 3.96Å; H112-A162 WeakPolarHBondContact O-CB 3.31Å; H112-V191 WeakPolarHBondContact CB-O 3.03Å; H112-V191 PolarHBondContact ND1-O 3.24Å; H112-K192 CarbonylContact O-C 3.57Å; H112-K192 VanDerWaalsContact O-CA 3.31Å; H112-K192 WeakPolarHBondContact O-CA 3.33Å; H112-L193 PolarHBondContact O-N 2.84Å
113	I	97.4	Very high	94.2	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-126.6	130.5	172.1	-60.4	-179.8	0	0	0	107.9	L107 H110 Q115 A162 L196	L107-I113 HydrophobicContact CD2-CD1 3.51Å; L107-I113 HydrophobicContact CD2-CG2 4.39Å; H110-I113 HydrophobicContact CB-CB 4.3Å; H110-I113 HydrophobicContact CB-CD1 3.95Å; H110-I113 HydrophobicContact CB-CG1 4.08Å; H110-I113 PolarHBondContact O-N 2.85Å; H110-I113 VanDerWaalsContact O-N 3.13Å; I113-Q115 PolarHBondContact O-N 3.02Å; I113-Q115 PolarHBondContact O-NE2 3.13Å; I113-A162 HydrophobicContact CG1-CB 3.98Å; I113-L196 HydrophobicContact CG2-CD1 4.03Å; I113-L196 HydrophobicContact CG2-CD2 4.46Å; I113-L196 HydrophobicContact CG2-CG 4.31Å
114	N	95.3	Very high	94	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.043	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59.3	128.7	178.4	-160.9	27.9	0	0	0	110.1	Y104 F130 K192 L193 E194	Y104-N114 VanDerWaalsContact CE1-O 3.32Å; Y104-N114 WeakPolarHBondContact CE1-O 3.36Å; N114-F130 WeakPolarHBondContact ND2-CD1 3.48Å; N114-K192 HydrophobicContact CB-CD 4Å; N114-K192 WeakPolarHBondContact OD1-CE 3.41Å; N114-K192 PolarHBondContact OD1-NZ 2.86Å; N114-L193 WeakPolarHBondContact CB-O 3.45Å; N114-L193 PolarHBondContact N-O 2.84Å; N114-E194 WeakPolarHBondContact CB-O 3.31Å; N114-E194 PolarHBondContact ND2-O 2.85Å
115	Q	94.4	Very high	94	Very high	55 Å²	55	49.4 Å²	49.4	26%	0.257	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-103.5	141.6	-176.3	-60.7	-59.2	-46.9	0	0	110	H110 I113 L117 F130	H110-Q115 PolarHBondContact O-NE2 2.88Å; I113-Q115 PolarHBondContact O-N 3.02Å; I113-Q115 PolarHBondContact O-NE2 3.13Å; Q115-L117 PolarHBondContact O-N 2.83Å; Q115-F130 VanDerWaalsContact O-CD1 3.24Å; Q115-F130 WeakPolarHBondContact O-CD1 3.23Å
116	I	95.9	Very high	94.1	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.067	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-71.3	120.7	169.7	-62.2	171.6	0	0	0	107.5	I9 L101 Y104 I119 V128 F130	I9-I116 HydrophobicContact CD1-CB 4.16Å; I9-I116 HydrophobicContact CD1-CD1 4.13Å; I9-I116 HydrophobicContact CG2-CB 4.3Å; I9-I116 HydrophobicContact CG2-CG2 3.69Å; L101-I116 HydrophobicContact CB-CD1 4.46Å; L101-I116 HydrophobicContact CD1-CD1 4.11Å; L101-I116 HydrophobicContact CD2-CD1 4.15Å; L101-I116 HydrophobicContact CG-CD1 4.47Å; Y104-I116 HydrophobicContact CD1-CD1 4.01Å; Y104-I116 HydrophobicContact CD1-CG1 3.93Å; Y104-I116 HydrophobicContact CD2-CD1 3.97Å; Y104-I116 HydrophobicContact CE1-CG1 4.33Å; Y104-I116 HydrophobicContact CG-CD1 3.59Å; Y104-I116 HydrophobicContact CG-CG1 4.05Å; I116-I119 HydrophobicContact CD1-CD1 4.43Å; I116-I119 HydrophobicContact CG2-CD1 4.2Å; I116-I119 HydrophobicContact CG2-CG1 3.68Å; I116-V128 HydrophobicContact CB-CG1 4.43Å; I116-V128 HydrophobicContact CD1-CG1 4.17Å; I116-V128 HydrophobicContact CG1-CG1 3.94Å; I116-V128 HydrophobicContact CG2-CG1 3.75Å; I116-F130 HydrophobicContact CB-CE1 4.35Å; I116-F130 HydrophobicContact CG1-CD1 4.46Å; I116-F130 HydrophobicContact CG1-CE1 3.53Å; I116-F130 HydrophobicContact CG1-CZ 3.74Å
117	L	94.6	Very high	94.3	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.356	23%	0.225	S	C	.	.			trans	-76.9	-50.7	174.5	-62.1	175.7	0	0	0	110.2	L87 Q115 F129	L87-L117 HydrophobicContact CD1-CD1 4.43Å; L87-L117 HydrophobicContact CD2-CD1 3.61Å; Q115-L117 PolarHBondContact O-N 2.83Å; L117-F129 HydrophobicContact CB-CB 4.48Å; L117-F129 WeakPolarHBondContact CB-O 3.34Å; L117-F129 PolarHBondContact N-O 3.33Å
118	E	95.1	Very high	94.5	Very high	39 Å²	39	44.1 Å²	44.1	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.8	-176	-174.8	163.9	-155.1	0	0	111.5	Y64 L120 F129	Y64-E118 VanDerWaalsContact CE2-OE2 3.22Å; Y64-E118 WeakPolarHBondContact CE2-OE2 3.29Å; Y64-E118 PolarHBondContact OH-OE2 3.21Å; E118-L120 HydrophobicContact CG-CD2 3.97Å; E118-L120 HydrophobicContact CG-CG 4.37Å; E118-L120 WeakPolarHBondContact OE1-CD2 3.4Å; E118-F129 PolarHBondContact O-N 3.48Å
119	I	96.4	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.9	170.2	-52.4	-179.8	0	0	0	109.2	I9 S10 I11 S12 Y97 L101 F105 I116 L121 Y127 V128	I9-I119 HydrophobicContact CG2-CD1 4.03Å; I9-I119 HydrophobicContact CG2-CG1 4.02Å; S10-I119 PolarHBondContact O-N 3.17Å; I11-I119 WeakPolarHBondContact CA-O 3.19Å; I11-I119 HydrophobicContact CD1-CD1 4.29Å; I11-I119 HydrophobicContact CG1-CB 4.19Å; I11-I119 HydrophobicContact CG1-CD1 4.25Å; I11-I119 HydrophobicContact CG2-CB 4.35Å; I11-I119 HydrophobicContact CG2-CG2 4.45Å; S12-I119 PolarHBondContact N-O 3.2Å; Y97-I119 HydrophobicContact CD2-CG2 4.47Å; Y97-I119 HydrophobicContact CE2-CG2 4.4Å; L101-I119 HydrophobicContact CD1-CD1 3.79Å; F105-I119 HydrophobicContact CE1-CD1 4.15Å; F105-I119 HydrophobicContact CZ-CD1 3.8Å; I116-I119 HydrophobicContact CD1-CD1 4.43Å; I116-I119 HydrophobicContact CG2-CD1 4.2Å; I116-I119 HydrophobicContact CG2-CG1 3.68Å; I119-L121 HydrophobicContact CG2-CD2 3.85Å; I119-Y127 CarbonylContact C-O 3.48Å; I119-Y127 WeakPolarHBondContact CA-O 3.22Å; I119-V128 HydrophobicContact CG1-CG1 4.26Å; I119-V128 HydrophobicContact CG1-CG2 4.33Å; I119-V128 HydrophobicContact CG2-CG2 4.29Å
120	L	95.7	Very high	95.2	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.5	171.3	-58	-175.3	0	0	0	109.8	S12 I61 Y64 E118 Y127 F129	S12-L120 WeakPolarHBondContact OG-CD2 3.47Å; I61-L120 HydrophobicContact CG2-CB 4.32Å; I61-L120 HydrophobicContact CG2-CD1 3.88Å; Y64-L120 HydrophobicContact CD2-CD1 3.76Å; Y64-L120 HydrophobicContact CE2-CD1 4Å; E118-L120 HydrophobicContact CG-CD2 3.97Å; E118-L120 HydrophobicContact CG-CG 4.37Å; E118-L120 WeakPolarHBondContact OE1-CD2 3.4Å; L120-Y127 PolarHBondContact N-O 3.4Å; L120-Y127 WeakPolarHBondContact O-CD2 3.44Å; L120-Y127 PolarHBondContact O-N 2.84Å; L120-F129 HydrophobicContact CB-CE2 4.33Å; L120-F129 HydrophobicContact CD1-CE2 3.77Å; L120-F129 HydrophobicContact CD1-CZ 4.28Å; L120-F129 HydrophobicContact CG-CD2 4.5Å; L120-F129 HydrophobicContact CG-CE2 3.86Å
121	L	95.4	Very high	95.1	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.089	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.4	177.4	-57.4	-179.5	0	0	0	109.4	I11 S12 R13 Y14 I94 Y97 I119 A126	I11-L121 HydrophobicContact CG2-CD1 3.8Å; I11-L121 HydrophobicContact CG2-CG 4.02Å; S12-L121 PolarHBondContact O-N 3.41Å; R13-L121 WeakPolarHBondContact CA-O 3.13Å; R13-L121 HydrophobicContact CG-CB 4.14Å; Y14-L121 PolarHBondContact N-O 3.38Å; I94-L121 HydrophobicContact CD1-CB 4.29Å; I94-L121 HydrophobicContact CG1-CD2 4.49Å; Y97-L121 HydrophobicContact CD1-CD2 4.4Å; Y97-L121 HydrophobicContact CE1-CD2 3.94Å; Y97-L121 HydrophobicContact CE2-CD2 4.12Å; I119-L121 HydrophobicContact CG2-CD2 3.85Å; L121-A126 HydrophobicContact CD2-CB 3.64Å
122	G	91.3	Very high	95.1	Very high	20 Å²	20	38.6 Å²	38.6	21%	0.206	19%	0.188	C	C	.	.			trans	-89.8	-155.5	168.6	0	0	0	0	0	111.9	I94 R125	I94-G122 VanDerWaalsContact CD1-O 3.26Å; I94-G122 WeakPolarHBondContact CD1-O 3.32Å; G122-R125 PolarHBondContact N-O 2.83Å
123	E	89.7	Confident	95	Very high	166 Å²	166	40 Å²	40	78%	0.776	20%	0.2	S	C	*	.	S	Bend	trans	-78.1	-44.8	179.4	-60.1	-165.9	168	0	0	112.8
124	T	91.3	Very high	94.9	Very high	91 Å²	91	41.4 Å²	41.4	56%	0.558	21%	0.206	S	C	*	.	S	Bend	trans	-120.8	-12.8	-177.2	57.7	0	0	0	0	113.3	I94	I94-T124 WeakPolarHBondContact CG2-O 3.43Å; I94-T124 PolarHBondContact N-O 2.84Å; I94-T124 VanDerWaalsContact N-O 3.07Å
125	R	94.7	Very high	94.9	Very high	100 Å²	100	42.8 Å²	42.8	38%	0.377	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.8	-173.1	-59.2	-60.2	-172.9	171.7	1.7	112.1	V91 F92 G122 Y127	V91-R125 HydrophobicContact CG1-CB 3.93Å; V91-R125 HydrophobicContact CG1-CG 4.06Å; F92-R125 CarbonylContact O-C 3.57Å; F92-R125 VanDerWaalsContact O-CA 3.29Å; F92-R125 WeakPolarHBondContact O-CA 3.18Å; G122-R125 PolarHBondContact N-O 2.83Å; R125-Y127 HydrophobicContact CB-CE2 3.86Å
126	A	95.7	Very high	95	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130	166.5	0	0	0	0	0	109.2	V91 F92 Y97 L121	V91-A126 WeakPolarHBondContact CA-O 3.26Å; F92-A126 HydrophobicContact CB-CB 4.43Å; F92-A126 PolarHBondContact N-O 2.85Å; F92-A126 PolarHBondContact O-N 3.06Å; Y97-A126 HydrophobicContact CD1-CB 4Å; Y97-A126 HydrophobicContact CD2-CB 4.21Å; Y97-A126 HydrophobicContact CG-CB 3.7Å; L121-A126 HydrophobicContact CD2-CB 3.64Å
127	Y	96.1	Very high	95.1	Very high	45 Å²	45	40.9 Å²	40.9	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.5	-178.5	-57.8	-95.4	0	0	0	108.4	I61 L66 V91 I119 L120 R125	I61-Y127 HydrophobicContact CD1-CE1 4.13Å; I61-Y127 HydrophobicContact CD1-CE2 4.39Å; I61-Y127 HydrophobicContact CG1-CD1 4.28Å; I61-Y127 HydrophobicContact CG1-CE1 4.07Å; I61-Y127 HydrophobicContact CG2-CD1 4.37Å; I61-Y127 HydrophobicContact CG2-CD2 3.92Å; I61-Y127 HydrophobicContact CG2-CE2 4.24Å; I61-Y127 HydrophobicContact CG2-CG 4Å; L66-Y127 HydrophobicContact CD1-CD1 4.01Å; L66-Y127 HydrophobicContact CD1-CE1 3.91Å; V91-Y127 HydrophobicContact CG1-CD1 4.41Å; V91-Y127 HydrophobicContact CG1-CE1 4.23Å; V91-Y127 HydrophobicContact CG2-CD1 3.81Å; V91-Y127 HydrophobicContact CG2-CE1 4.04Å; I119-Y127 CarbonylContact C-O 3.48Å; I119-Y127 WeakPolarHBondContact CA-O 3.22Å; L120-Y127 PolarHBondContact N-O 3.4Å; L120-Y127 WeakPolarHBondContact O-CD2 3.44Å; L120-Y127 PolarHBondContact O-N 2.84Å; R125-Y127 HydrophobicContact CB-CE2 3.86Å
128	V	96.7	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119	-172	-173.6	0	0	0	0	108.8	C89 K90 F92 L101 I116 I119 F130	C89-V128 CarbonylContact C-O 3.6Å; C89-V128 WeakPolarHBondContact CA-O 3.46Å; K90-V128 PolarHBondContact N-O 2.81Å; K90-V128 PolarHBondContact O-N 3.14Å; F92-V128 HydrophobicContact CD2-CB 4.3Å; F92-V128 HydrophobicContact CD2-CG2 3.52Å; F92-V128 HydrophobicContact CE2-CB 3.96Å; F92-V128 HydrophobicContact CE2-CG2 3.6Å; L101-V128 HydrophobicContact CD1-CG1 4.26Å; L101-V128 HydrophobicContact CD1-CG2 3.69Å; I116-V128 HydrophobicContact CB-CG1 4.43Å; I116-V128 HydrophobicContact CD1-CG1 4.17Å; I116-V128 HydrophobicContact CG1-CG1 3.94Å; I116-V128 HydrophobicContact CG2-CG1 3.75Å; I119-V128 HydrophobicContact CG1-CG1 4.26Å; I119-V128 HydrophobicContact CG1-CG2 4.33Å; I119-V128 HydrophobicContact CG2-CG2 4.29Å; V128-F130 HydrophobicContact CB-CE2 4.02Å; V128-F130 HydrophobicContact CG1-CD2 4.3Å; V128-F130 HydrophobicContact CG1-CE2 3.42Å; V128-F130 VanDerWaalsContact CG1-CE2 3.42Å; V128-F130 HydrophobicContact CG1-CZ 3.56Å
129	F	96.5	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138	-173.5	-64.3	-90.1	0	0	0	111.9	Y64 L66 A78 L87 I88 C89 L117 E118 L120	Y64-F129 AromaticContact CD1-CD1 3.91Å; Y64-F129 HydrophobicContact CD1-CD1 3.91Å; Y64-F129 AromaticContact CD1-CE1 3.83Å; Y64-F129 HydrophobicContact CD1-CE1 3.83Å; Y64-F129 HydrophobicContact CD1-CZ 4.4Å; Y64-F129 HydrophobicContact CD2-CD1 4.35Å; Y64-F129 HydrophobicContact CD2-CD2 4.3Å; Y64-F129 AromaticContact CD2-CE1 3.87Å; Y64-F129 HydrophobicContact CD2-CE1 3.87Å; Y64-F129 AromaticContact CD2-CE2 3.82Å; Y64-F129 HydrophobicContact CD2-CE2 3.82Å; Y64-F129 AromaticContact CD2-CZ 3.58Å; Y64-F129 HydrophobicContact CD2-CZ 3.58Å; Y64-F129 HydrophobicContact CE1-CD1 4.19Å; Y64-F129 HydrophobicContact CE1-CE1 4.49Å; Y64-F129 HydrophobicContact CE1-CG 4.42Å; Y64-F129 HydrophobicContact CE2-CD2 4.18Å; Y64-F129 HydrophobicContact CE2-CE2 4.1Å; Y64-F129 HydrophobicContact CE2-CG 4.45Å; Y64-F129 HydrophobicContact CE2-CZ 4.27Å; Y64-F129 AromaticContact CG-CD1 3.99Å; Y64-F129 HydrophobicContact CG-CD1 3.99Å; Y64-F129 AromaticContact CG-CE1 3.47Å; Y64-F129 HydrophobicContact CG-CE1 3.47Å; Y64-F129 VanDerWaalsContact CG-CE1 3.47Å; Y64-F129 HydrophobicContact CG-CE2 4.3Å; Y64-F129 AromaticContact CG-CZ 3.65Å; Y64-F129 HydrophobicContact CG-CZ 3.65Å; L66-F129 HydrophobicContact CD2-CE1 4.21Å; L66-F129 HydrophobicContact CD2-CZ 4.49Å; A78-F129 HydrophobicContact CB-CD1 4.21Å; A78-F129 HydrophobicContact CB-CE1 3.95Å; L87-F129 HydrophobicContact CD1-CD1 4.43Å; I88-F129 CarbonylContact O-C 3.6Å; I88-F129 WeakPolarHBondContact O-CA 3.21Å; C89-F129 HydrophobicContact CB-CD1 3.93Å; C89-F129 HydrophobicContact CB-CE1 3.73Å; C89-F129 HydrophobicContact CB-CZ 4.39Å; L117-F129 HydrophobicContact CB-CB 4.48Å; L117-F129 WeakPolarHBondContact CB-O 3.34Å; L117-F129 PolarHBondContact N-O 3.33Å; E118-F129 PolarHBondContact O-N 3.48Å; L120-F129 HydrophobicContact CB-CE2 4.33Å; L120-F129 HydrophobicContact CD1-CE2 3.77Å; L120-F129 HydrophobicContact CD1-CZ 4.28Å; L120-F129 HydrophobicContact CG-CD2 4.5Å; L120-F129 HydrophobicContact CG-CE2 3.86Å
130	F	96.4	Very high	95.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.6	178.4	-59.3	-91.9	0	0	0	110.4	L87 I88 K90 Y104 N114 Q115 I116 V128	L87-F130 WeakPolarHBondContact CA-O 3.24Å; L87-F130 WeakPolarHBondContact CB-O 3.35Å; I88-F130 HydrophobicContact CB-CB 4.49Å; I88-F130 PolarHBondContact N-O 2.9Å; I88-F130 PolarHBondContact O-N 3.13Å; K90-F130 HydrophobicContact CB-CE2 4.3Å; K90-F130 HydrophobicContact CD-CE2 4.08Å; K90-F130 HydrophobicContact CG-CD2 4.34Å; K90-F130 HydrophobicContact CG-CE2 4.08Å; Y104-F130 AromaticContact CE1-CE1 3.95Å; Y104-F130 HydrophobicContact CE1-CE1 3.95Å; Y104-F130 AromaticContact CZ-CE1 3.98Å; N114-F130 WeakPolarHBondContact ND2-CD1 3.48Å; Q115-F130 VanDerWaalsContact O-CD1 3.24Å; Q115-F130 WeakPolarHBondContact O-CD1 3.23Å; I116-F130 HydrophobicContact CB-CE1 4.35Å; I116-F130 HydrophobicContact CG1-CD1 4.46Å; I116-F130 HydrophobicContact CG1-CE1 3.53Å; I116-F130 HydrophobicContact CG1-CZ 3.74Å; V128-F130 HydrophobicContact CB-CE2 4.02Å; V128-F130 HydrophobicContact CG1-CD2 4.3Å; V128-F130 HydrophobicContact CG1-CE2 3.42Å; V128-F130 VanDerWaalsContact CG1-CE2 3.42Å; V128-F130 HydrophobicContact CG1-CZ 3.56Å
131	D	95.4	Very high	95.4	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	142.6	170.4	-68.5	-42.5	0	0	0	111.6	K192	D131-K192 PolarHBondContact O-NZ 2.85Å; D131-K192 VanDerWaalsContact O-NZ 3.11Å
132	R	94.8	Very high	95.3	Very high	83 Å²	83	47 Å²	47	31%	0.313	24%	0.239	S	C	.	.			trans	-56.2	158.9	171.9	84.4	-174.6	-155.9	167.1	-4.5	112.3	E86 H134 E186	E86-R132 VanDerWaalsContact CD-NH1 3.25Å; E86-R132 WeakPolarHBondContact O-CB 3.43Å; E86-R132 IonicContact OE1-NH1 3.87Å; E86-R132 IonicContact OE2-CZ 3.59Å; E86-R132 IonicContact OE2-NH1 2.89Å; E86-R132 PolarHBondContact OE2-NH1 3.47Å; R132-H134 PolarHBondContact NE-CE1 3.32Å; R132-H134 VanDerWaalsContact NE-CE1 3.29Å; R132-H134 PolarHBondContact NE-NE2 2.79Å; R132-H134 PolarHBondContact NH2-CE1 2.91Å; R132-E186 IonicContact NH2-OE1 3.03Å; R132-E186 PolarHBondContact NH2-OE1 2.82Å
133	S	95.3	Very high	95.5	Very high	43 Å²	43	51.3 Å²	51.3	30%	0.301	26%	0.261	S	S	.	.			trans	-126.9	155	179.2	-57	0	0	0	0	110.9	V182 F183 K192	S133-V182 VanDerWaalsContact OG-CG2 3.31Å; S133-V182 WeakPolarHBondContact OG-CG2 3.29Å; S133-F183 CarbonylContact C-O 3.57Å; S133-F183 WeakPolarHBondContact CA-O 3.49Å; S133-K192 WeakPolarHBondContact OG-CE 3.29Å
134	H	95.9	Very high	95.8	Very high	35 Å²	35	46 Å²	46	16%	0.162	24%	0.242	C	C	.	.			trans	-112.1	43	-168.9	-65.4	-93.6	0	0	0	113.2	R132 F183 K184 N185 E186 R188	R132-H134 PolarHBondContact NE-CE1 3.32Å; R132-H134 VanDerWaalsContact NE-CE1 3.29Å; R132-H134 PolarHBondContact NE-NE2 2.79Å; R132-H134 PolarHBondContact NH2-CE1 2.91Å; H134-F183 HydrophobicContact CB-CB 4.02Å; H134-F183 PolarHBondContact N-O 2.84Å; H134-K184 PolarHBondContact CD2-O 2.88Å; H134-N185 WeakPolarHBondContact CB-O 3.47Å; H134-E186 WeakPolarHBondContact CE1-CG 3.5Å; H134-E186 IonicContact CE1-OE1 3.45Å; H134-E186 WeakPolarHBondContact ND1-CG 3.3Å; H134-R188 PolarHBondContact O-NE 2.95Å; H134-R188 VanDerWaalsContact O-NE 3.12Å
135	G	95.6	Very high	96	Very high	37 Å²	37	48.8 Å²	48.8	38%	0.381	25%	0.246	S	C	.	.			trans	90.4	169.5	-175.6	0	0	0	0	0	113.4	V182 F183	G135-V182 WeakPolarHBondContact O-CA 3.42Å; G135-F183 WeakPolarHBondContact O-CD2 3.13Å; G135-F183 PolarHBondContact O-N 3.07Å
136	D	96.8	Very high	96	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-105.6	155.2	-175.6	75	92.4	0	0	0	113.5	H138 S139 F140 F181 V182	D136-H138 VanDerWaalsContact C-N 3.27Å; D136-H138 PolarHBondContact O-N 3.03Å; D136-H138 VanDerWaalsContact OD1-CA 3.29Å; D136-H138 WeakPolarHBondContact OD1-CA 3.46Å; D136-H138 WeakPolarHBondContact OD1-CB 3.42Å; D136-H138 PolarHBondContact OD1-N 2.97Å; D136-S139 PolarHBondContact O-N 3.37Å; D136-S139 PolarHBondContact OD1-N 3.25Å; D136-S139 PolarHBondContact OD1-OG 2.99Å; D136-S139 WeakPolarHBondContact OD2-CB 3.17Å; D136-S139 PolarHBondContact OD2-OG 3.49Å; D136-F140 WeakPolarHBondContact O-CB 3.3Å; D136-F140 PolarHBondContact O-N 3.25Å; D136-F181 WeakPolarHBondContact CA-O 3.33Å; D136-V182 HydrophobicContact CB-CG1 4.15Å
137	M	97.8	Very high	96.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-29.7	-179.5	-74.7	-73.5	-61.2	0	0	112.9	V141 L155 I159 L178 F181 F183 V191 I247	M137-V141 WeakPolarHBondContact O-CB 3.33Å; M137-V141 VanDerWaalsContact O-CG2 3.3Å; M137-V141 WeakPolarHBondContact O-CG2 3.42Å; M137-V141 PolarHBondContact O-N 3.21Å; M137-L155 HydrophobicContact CE-CB 4.15Å; M137-L155 HydrophobicContact CE-CD1 4.03Å; M137-L155 HydrophobicContact SD-CD1 4.13Å; M137-I159 HydrophobicContact CE-CD1 4.09Å; M137-L178 HydrophobicContact CB-CB 4.25Å; M137-L178 HydrophobicContact CB-CD2 4.2Å; M137-L178 WeakPolarHBondContact CB-O 3.37Å; M137-F181 HydrophobicContact CB-CB 4.26Å; M137-F181 HydrophobicContact CG-CB 3.77Å; M137-F181 WeakPolarHBondContact CG-O 3.15Å; M137-F181 PolarHBondContact N-O 3.18Å; M137-F183 HydrophobicContact CG-CZ 4.27Å; M137-F183 HydrophobicContact SD-CE1 3.65Å; M137-F183 HydrophobicContact SD-CE2 4.08Å; M137-F183 HydrophobicContact SD-CZ 3.28Å; M137-F183 WeakPolarHBondContact SD-CZ 3.24Å; M137-V191 HydrophobicContact CG-CG2 3.84Å; M137-V191 HydrophobicContact SD-CG2 4.29Å; M137-I247 HydrophobicContact CE-CD1 4.04Å; M137-I247 HydrophobicContact CE-CG1 4.36Å
138	H	96.6	Very high	96.1	Very high	29 Å²	29	56.1 Å²	56.1	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-48	178.4	176.3	-61	0	0	0	110.2	D136 F140 R142 L178 R179 Y252	D136-H138 VanDerWaalsContact C-N 3.27Å; D136-H138 PolarHBondContact O-N 3.03Å; D136-H138 VanDerWaalsContact OD1-CA 3.29Å; D136-H138 WeakPolarHBondContact OD1-CA 3.46Å; D136-H138 WeakPolarHBondContact OD1-CB 3.42Å; D136-H138 PolarHBondContact OD1-N 2.97Å; H138-F140 VanDerWaalsContact C-N 3.32Å; H138-R142 PolarHBondContact CE1-NH2 3.22Å; H138-R142 WeakPolarHBondContact O-CB 3.04Å; H138-R142 PolarHBondContact O-N 3.41Å; H138-L178 HydrophobicContact CB-CB 3.73Å; H138-R179 HydrophobicContact CB-CB 4.21Å; H138-Y252 PolarHBondContact NE2-OH 3.47Å
139	S	96.6	Very high	96.1	Very high	48 Å²	48	57.9 Å²	57.9	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-39.1	176	-61.9	0	0	0	0	111.7	D136 R142 T143	D136-S139 PolarHBondContact O-N 3.37Å; D136-S139 PolarHBondContact OD1-N 3.25Å; D136-S139 PolarHBondContact OD1-OG 2.99Å; D136-S139 WeakPolarHBondContact OD2-CB 3.17Å; D136-S139 PolarHBondContact OD2-OG 3.49Å; S139-R142 PolarHBondContact O-N 3.49Å; S139-T143 PolarHBondContact O-N 3.03Å; S139-T143 PolarHBondContact O-OG1 3.12Å; S139-T143 VanDerWaalsContact O-OG1 3.09Å
140	F	97.3	Very high	96.1	Very high	23 Å²	23	60.3 Å²	60.3	10%	0.101	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-52.1	176.2	-176.2	-111.2	0	0	0	112.8	D136 H138 R142 T143 C144 L147 L155 F183 R188	D136-F140 WeakPolarHBondContact O-CB 3.3Å; D136-F140 PolarHBondContact O-N 3.25Å; H138-F140 VanDerWaalsContact C-N 3.32Å; F140-R142 VanDerWaalsContact C-N 3.29Å; F140-R142 PolarHBondContact O-N 3.09Å; F140-T143 PolarHBondContact O-N 2.89Å; F140-T143 VanDerWaalsContact O-N 3.15Å; F140-C144 PolarHBondContact O-N 3.38Å; F140-C144 PolarHBondContact O-SG 3.24Å; F140-L147 HydrophobicContact CD1-CD1 4.25Å; F140-L147 HydrophobicContact CD1-CD2 4.23Å; F140-L147 HydrophobicContact CE1-CD1 3.81Å; F140-L147 HydrophobicContact CE1-CD2 3.67Å; F140-L147 HydrophobicContact CE1-CG 4.4Å; F140-L147 HydrophobicContact CZ-CD2 4.35Å; F140-L155 HydrophobicContact CE1-CD1 4.14Å; F140-F183 HydrophobicContact CB-CE2 3.67Å; F140-F183 HydrophobicContact CB-CZ 4Å; F140-F183 HydrophobicContact CD1-CE2 4.19Å; F140-F183 AromaticContact CD1-CZ 3.63Å; F140-F183 HydrophobicContact CD1-CZ 3.63Å; F140-F183 HydrophobicContact CD2-CE2 4.16Å; F140-F183 HydrophobicContact CD2-CZ 4.19Å; F140-F183 HydrophobicContact CE1-CZ 4.08Å; F140-F183 AromaticContact CG-CE2 3.76Å; F140-F183 HydrophobicContact CG-CE2 3.76Å; F140-F183 AromaticContact CG-CZ 3.68Å; F140-F183 HydrophobicContact CG-CZ 3.68Å; F140-R188 HydrophobicContact CE2-CB 4.35Å
141	V	96.6	Very high	96.1	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-39	176.9	173.1	0	0	0	0	111.3	M137 T143 C144 K145 L178 I247	M137-V141 WeakPolarHBondContact O-CB 3.33Å; M137-V141 VanDerWaalsContact O-CG2 3.3Å; M137-V141 WeakPolarHBondContact O-CG2 3.42Å; M137-V141 PolarHBondContact O-N 3.21Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 3.13Å; V141-C144 PolarHBondContact O-N 2.91Å; V141-K145 CarbonylContact O-C 3.41Å; V141-K145 VanDerWaalsContact O-CA 3.28Å; V141-K145 WeakPolarHBondContact O-CA 3.49Å; V141-K145 PolarHBondContact O-N 3.38Å; V141-L178 HydrophobicContact CG2-CD1 4.31Å; V141-I247 HydrophobicContact CG2-CG1 4.01Å
142	R	94.4	Very high	96.2	Very high	152 Å²	152	58.7 Å²	58.7	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-60.5	-40.1	176.7	-176.2	-169.9	-70.9	171	-6.7	112.5	H138 S139 F140 K145	H138-R142 PolarHBondContact CE1-NH2 3.22Å; H138-R142 WeakPolarHBondContact O-CB 3.04Å; H138-R142 PolarHBondContact O-N 3.41Å; S139-R142 PolarHBondContact O-N 3.49Å; F140-R142 VanDerWaalsContact C-N 3.29Å; F140-R142 PolarHBondContact O-N 3.09Å; R142-K145 PolarHBondContact O-NZ 2.84Å
143	T	96.1	Very high	96.4	Very high	110 Å²	110	54.8 Å²	54.8	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-70	-48.5	177.6	-62.1	0	0	0	0	111	S139 F140 V141 K145	S139-T143 PolarHBondContact O-N 3.03Å; S139-T143 PolarHBondContact O-OG1 3.12Å; S139-T143 VanDerWaalsContact O-OG1 3.09Å; F140-T143 PolarHBondContact O-N 2.89Å; F140-T143 VanDerWaalsContact O-N 3.15Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 3.13Å; T143-K145 PolarHBondContact O-N 3.36Å
144	C	94.8	Very high	96.5	Very high	56 Å²	56	57.6 Å²	57.6	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-72.8	-12.9	179.7	-62.6	0	0	0	0	113.9	F140 V141 K146 L147	F140-C144 PolarHBondContact O-N 3.38Å; F140-C144 PolarHBondContact O-SG 3.24Å; V141-C144 PolarHBondContact O-N 2.91Å; C144-K146 PolarHBondContact O-N 3.4Å; C144-L147 HydrophobicContact CB-CD2 3.68Å
145	K	95.8	Very high	96.7	Very high	148 Å²	148	56.1 Å²	56.1	64%	0.643	27%	0.271	S	S	*	.	S	Bend	trans	66.1	-47.8	-168	-51.3	-59.1	174.7	-164.8	0	113.7	V141 R142 T143 G250	V141-K145 CarbonylContact O-C 3.41Å; V141-K145 VanDerWaalsContact O-CA 3.28Å; V141-K145 WeakPolarHBondContact O-CA 3.49Å; V141-K145 PolarHBondContact O-N 3.38Å; R142-K145 PolarHBondContact O-NZ 2.84Å; T143-K145 PolarHBondContact O-N 3.36Å; K145-G250 WeakPolarHBondContact O-CA 3.43Å
146	K	95.1	Very high	96.8	Very high	115 Å²	115	54.4 Å²	54.4	50%	0.5	25%	0.253	S	S	.	.	S	Bend	trans	-158.3	158.8	171.5	60.5	180	-179.3	177.8	0	109	C144	C144-K146 PolarHBondContact O-N 3.4Å
147	L	97.6	Very high	96.9	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	26%	0.255	C	S	.	.			trans	-98.9	154.2	175.4	-55.5	-170.8	0	0	0	111.4	F140 C144 E151 A152 L155 I247	F140-L147 HydrophobicContact CD1-CD1 4.25Å; F140-L147 HydrophobicContact CD1-CD2 4.23Å; F140-L147 HydrophobicContact CE1-CD1 3.81Å; F140-L147 HydrophobicContact CE1-CD2 3.67Å; F140-L147 HydrophobicContact CE1-CG 4.4Å; F140-L147 HydrophobicContact CZ-CD2 4.35Å; C144-L147 HydrophobicContact CB-CD2 3.68Å; L147-E151 HydrophobicContact CD1-CG 4.34Å; L147-A152 HydrophobicContact CB-CB 4.15Å; L147-L155 HydrophobicContact CD1-CD1 3.76Å; L147-I247 HydrophobicContact CB-CG2 3.9Å; L147-I247 HydrophobicContact CD1-CG2 3.73Å; L147-I247 HydrophobicContact CG-CG2 3.91Å; L147-I247 PolarHBondContact N-O 3.26Å
148	R	96.6	Very high	96.9	Very high	176 Å²	176	56.1 Å²	56.1	66%	0.664	26%	0.258	S	S	*	.			trans	-70.6	152.3	169.1	-64.3	-175.9	-61.2	-166.5	-1.3	109.6	D150 E151 A152	R148-D150 WeakPolarHBondContact CB-OD1 3.31Å; R148-D150 IonicContact NE-OD1 3.02Å; R148-D150 PolarHBondContact O-N 3.4Å; R148-E151 PolarHBondContact O-N 3.31Å; R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.28Å; R148-A152 PolarHBondContact O-N 3.17Å
149	E	97.2	Very high	97	Very high	36 Å²	36	54.7 Å²	54.7	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-32.9	-174.2	-74.1	-162.6	-151.8	0	0	113.8	A153 L248 L277 T278 A281 W307	E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.19Å; E149-L248 HydrophobicContact CB-CD2 4.45Å; E149-L248 HydrophobicContact CG-CD2 3.78Å; E149-L277 HydrophobicContact CG-CD2 4.42Å; E149-L277 WeakPolarHBondContact OE1-CA 3.34Å; E149-T278 WeakPolarHBondContact OE1-CG2 3.48Å; E149-T278 PolarHBondContact OE1-N 2.84Å; E149-T278 PolarHBondContact OE1-OG1 3.19Å; E149-T278 WeakPolarHBondContact OE2-CB 3.45Å; E149-T278 VanDerWaalsContact OE2-CG2 3.29Å; E149-T278 WeakPolarHBondContact OE2-CG2 3.45Å; E149-T278 PolarHBondContact OE2-OG1 3.29Å; E149-A281 WeakPolarHBondContact OE2-CB 3.46Å; E149-W307 HydrophobicContact CB-CZ2 4.5Å; E149-W307 PolarHBondContact OE2-NE1 3.02Å
150	D	95.7	Very high	97.1	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-46.7	179.1	70.8	-63	0	0	0	111.7	R148 R154	R148-D150 WeakPolarHBondContact CB-OD1 3.31Å; R148-D150 IonicContact NE-OD1 3.02Å; R148-D150 PolarHBondContact O-N 3.4Å; D150-R154 WeakPolarHBondContact O-CG 3.41Å; D150-R154 PolarHBondContact O-N 3.25Å; D150-R154 PolarHBondContact O-NH1 3.33Å; D150-R154 VanDerWaalsContact O-NH1 3.17Å; D150-R154 IonicContact OD2-CZ 3.58Å; D150-R154 IonicContact OD2-NH1 3.51Å; D150-R154 PolarHBondContact OD2-NH1 2.93Å; D150-R154 IonicContact OD2-NH2 2.67Å; D150-R154 PolarHBondContact OD2-NH2 3.19Å
151	E	96.6	Very high	97.2	Very high	49 Å²	49	52.5 Å²	52.5	23%	0.229	24%	0.239	C	C	.	.	H	α-helix	trans	-70.6	-43.9	178	-175.4	-178.5	-171	0	0	111.3	L147 R148 A153 R154 L155	L147-E151 HydrophobicContact CD1-CG 4.34Å; R148-E151 PolarHBondContact O-N 3.31Å; E151-A153 VanDerWaalsContact C-N 3.3Å; E151-A153 PolarHBondContact O-N 3.45Å; E151-R154 VanDerWaalsContact CA-NH2 3.35Å; E151-R154 PolarHBondContact O-N 3.41Å; E151-L155 HydrophobicContact CG-CD1 4.21Å; E151-L155 PolarHBondContact O-N 3.25Å
152	A	98.1	Very high	97.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-43.3	174.9	0	0	0	0	0	111.3	L147 R148 F156 I247 L248 W307	L147-A152 HydrophobicContact CB-CB 4.15Å; R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.28Å; R148-A152 PolarHBondContact O-N 3.17Å; A152-F156 WeakPolarHBondContact O-CA 3.47Å; A152-F156 WeakPolarHBondContact O-CB 3.31Å; A152-F156 PolarHBondContact O-N 2.87Å; A152-I247 HydrophobicContact CB-CG2 3.56Å; A152-L248 HydrophobicContact CB-CD2 3.46Å; A152-L248 VanDerWaalsContact CB-CD2 3.46Å; A152-L248 HydrophobicContact CB-CG 4.22Å; A152-W307 HydrophobicContact CB-CH2 4.27Å
153	A	98.3	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-43.8	178.2	0	0	0	0	0	111.8	E149 E151 Y157 W307 F308 S311 V313	E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.19Å; E151-A153 VanDerWaalsContact C-N 3.3Å; E151-A153 PolarHBondContact O-N 3.45Å; A153-Y157 VanDerWaalsContact O-CB 3.26Å; A153-Y157 WeakPolarHBondContact O-CB 3.26Å; A153-Y157 PolarHBondContact O-N 3.43Å; A153-W307 VanDerWaalsContact CA-CH2 3.44Å; A153-W307 HydrophobicContact CB-CD2 4.5Å; A153-W307 HydrophobicContact CB-CE3 4.29Å; A153-W307 HydrophobicContact CB-CH2 3.75Å; A153-W307 HydrophobicContact CB-CZ2 3.93Å; A153-W307 HydrophobicContact CB-CZ3 3.94Å; A153-F308 HydrophobicContact CB-CD1 4.15Å; A153-F308 VanDerWaalsContact O-CE1 3.31Å; A153-F308 WeakPolarHBondContact O-CE1 3.36Å; A153-S311 WeakPolarHBondContact CB-OG 3.42Å; A153-V313 HydrophobicContact CB-CG2 3.78Å
154	R	97.9	Very high	97.6	Very high	103 Å²	103	39.9 Å²	39.9	39%	0.389	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-49	176.9	-72.5	-174.7	-62.2	-86	3.2	112.1	D150 E151 Q158 V313	D150-R154 WeakPolarHBondContact O-CG 3.41Å; D150-R154 PolarHBondContact O-N 3.25Å; D150-R154 PolarHBondContact O-NH1 3.33Å; D150-R154 VanDerWaalsContact O-NH1 3.17Å; D150-R154 IonicContact OD2-CZ 3.58Å; D150-R154 IonicContact OD2-NH1 3.51Å; D150-R154 PolarHBondContact OD2-NH1 2.93Å; D150-R154 IonicContact OD2-NH2 2.67Å; D150-R154 PolarHBondContact OD2-NH2 3.19Å; E151-R154 VanDerWaalsContact CA-NH2 3.35Å; E151-R154 PolarHBondContact O-N 3.41Å; R154-Q158 WeakPolarHBondContact O-CG 3.37Å; R154-Q158 PolarHBondContact O-N 2.92Å; R154-Q158 PolarHBondContact O-NE2 2.85Å; R154-V313 HydrophobicContact CG-CG2 3.9Å
155	L	98.5	Very high	97.8	Very high	4 Å²	4	39 Å²	39	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-71.1	-40.3	-178.9	-67.6	173.3	0	0	0	111.9	M137 F140 L147 E151 Y157 Q158 I159 F183 V191	M137-L155 HydrophobicContact CE-CB 4.15Å; M137-L155 HydrophobicContact CE-CD1 4.03Å; M137-L155 HydrophobicContact SD-CD1 4.13Å; F140-L155 HydrophobicContact CE1-CD1 4.14Å; L147-L155 HydrophobicContact CD1-CD1 3.76Å; E151-L155 HydrophobicContact CG-CD1 4.21Å; E151-L155 PolarHBondContact O-N 3.25Å; L155-Y157 VanDerWaalsContact C-N 3.35Å; L155-Y157 PolarHBondContact O-N 3.5Å; L155-Q158 PolarHBondContact O-N 3.12Å; L155-I159 WeakPolarHBondContact O-CG1 3.23Å; L155-I159 PolarHBondContact O-N 3.49Å; L155-I159 VanDerWaalsContact O-N 3.12Å; L155-F183 HydrophobicContact CD1-CE1 4.41Å; L155-F183 HydrophobicContact CD2-CE1 4Å; L155-V191 HydrophobicContact CD2-CG1 4.43Å
156	F	98.7	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-31.3	179.6	-172	-106.5	0	0	0	112.6	A152 I159 A160 L240 M243 L244 I247 L284 I288 I302 W307 F308	A152-F156 WeakPolarHBondContact O-CA 3.47Å; A152-F156 WeakPolarHBondContact O-CB 3.31Å; A152-F156 PolarHBondContact O-N 2.87Å; F156-I159 HydrophobicContact CD2-CG2 4.42Å; F156-I159 PolarHBondContact O-N 3.35Å; F156-A160 WeakPolarHBondContact O-CB 3.5Å; F156-A160 PolarHBondContact O-N 3.06Å; F156-L240 HydrophobicContact CE2-CB 4.32Å; F156-L240 HydrophobicContact CE2-CD2 4.12Å; F156-L240 VanDerWaalsContact CE2-O 3.31Å; F156-L240 WeakPolarHBondContact CE2-O 3.35Å; F156-L240 HydrophobicContact CZ-CB 4.08Å; F156-L240 HydrophobicContact CZ-CD2 4.39Å; F156-M243 HydrophobicContact CE2-CB 4.47Å; F156-L244 HydrophobicContact CB-CD1 4.36Å; F156-L244 HydrophobicContact CD1-CB 4.45Å; F156-L244 HydrophobicContact CD1-CD1 3.88Å; F156-L244 HydrophobicContact CD1-CD2 4.34Å; F156-L244 HydrophobicContact CD1-CG 4.45Å; F156-L244 HydrophobicContact CD2-CB 4.03Å; F156-L244 HydrophobicContact CD2-CD1 4.29Å; F156-L244 HydrophobicContact CE1-CB 4.12Å; F156-L244 HydrophobicContact CE1-CD1 4.25Å; F156-L244 HydrophobicContact CE1-CD2 3.94Å; F156-L244 HydrophobicContact CE1-CG 4.32Å; F156-L244 HydrophobicContact CE2-CB 3.66Å; F156-L244 HydrophobicContact CG-CB 4.42Å; F156-L244 HydrophobicContact CG-CD1 3.91Å; F156-L244 HydrophobicContact CZ-CB 3.71Å; F156-L244 HydrophobicContact CZ-CD2 4.26Å; F156-L244 HydrophobicContact CZ-CG 4.4Å; F156-I247 HydrophobicContact CD2-CD1 4.31Å; F156-L284 HydrophobicContact CE1-CD2 4.48Å; F156-I288 HydrophobicContact CE1-CD1 4.43Å; F156-I288 HydrophobicContact CZ-CD1 4.35Å; F156-I302 HydrophobicContact CE1-CG2 4.02Å; F156-W307 HydrophobicContact CB-CZ3 4.38Å; F156-W307 AromaticContact CD1-CZ3 3.97Å; F156-W307 HydrophobicContact CD1-CZ3 3.97Å; F156-F308 HydrophobicContact CD1-CE1 4.09Å; F156-F308 AromaticContact CD1-CZ 3.68Å; F156-F308 HydrophobicContact CD1-CZ 3.68Å; F156-F308 HydrophobicContact CE1-CZ 4.23Å
157	Y	98.6	Very high	98	Very high	49 Å²	49	26.7 Å²	26.7	19%	0.192	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-46.1	172.3	-172.5	-91.4	0	0	0	111.3	A153 L155 I159 A160 S161 L303 F308 V313 L314	A153-Y157 VanDerWaalsContact O-CB 3.26Å; A153-Y157 WeakPolarHBondContact O-CB 3.26Å; A153-Y157 PolarHBondContact O-N 3.43Å; L155-Y157 VanDerWaalsContact C-N 3.35Å; L155-Y157 PolarHBondContact O-N 3.5Å; Y157-I159 VanDerWaalsContact C-N 3.35Å; Y157-I159 PolarHBondContact O-N 2.91Å; Y157-A160 PolarHBondContact O-N 3.38Å; Y157-S161 VanDerWaalsContact O-CB 3.31Å; Y157-S161 WeakPolarHBondContact O-CB 3.34Å; Y157-S161 PolarHBondContact O-N 2.84Å; Y157-L303 HydrophobicContact CD1-CD2 4.49Å; Y157-L303 HydrophobicContact CD2-CD2 3.78Å; Y157-L303 HydrophobicContact CE1-CD2 4.35Å; Y157-L303 HydrophobicContact CE2-CB 4.14Å; Y157-L303 HydrophobicContact CE2-CD2 3.63Å; Y157-L303 HydrophobicContact CG-CD2 4.22Å; Y157-F308 HydrophobicContact CD2-CB 4.3Å; Y157-F308 AromaticContact CD2-CD1 3.79Å; Y157-F308 HydrophobicContact CD2-CD1 3.79Å; Y157-F308 AromaticContact CD2-CD2 3.9Å; Y157-F308 HydrophobicContact CD2-CD2 3.9Å; Y157-F308 AromaticContact CD2-CE1 3.98Å; Y157-F308 HydrophobicContact CD2-CE1 3.98Å; Y157-F308 HydrophobicContact CD2-CE2 4.05Å; Y157-F308 AromaticContact CD2-CG 3.75Å; Y157-F308 HydrophobicContact CD2-CG 3.75Å; Y157-F308 HydrophobicContact CD2-CZ 4.08Å; Y157-F308 HydrophobicContact CE2-CD2 4.45Å; Y157-F308 HydrophobicContact CE2-CG 4.49Å; Y157-F308 HydrophobicContact CG-CD1 4.32Å; Y157-F308 HydrophobicContact CG-CE1 4.31Å; Y157-V313 HydrophobicContact CD1-CG1 4.31Å; Y157-V313 HydrophobicContact CD2-CG1 4.23Å; Y157-V313 HydrophobicContact CG-CG1 3.92Å; Y157-L314 HydrophobicContact CE2-CD2 4.35Å
158	Q	98.6	Very high	98	Very high	15 Å²	15	31 Å²	31	7%	0.07	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-41.9	177.5	-63.4	177.1	49.9	0	0	112	H112 R154 L155 S161 A162 N189 V191	H112-Q158 WeakPolarHBondContact CE1-CG 3.36Å; H112-Q158 PolarHBondContact CE1-OE1 3.46Å; H112-Q158 PolarHBondContact ND1-OE1 2.81Å; R154-Q158 WeakPolarHBondContact O-CG 3.37Å; R154-Q158 PolarHBondContact O-N 2.92Å; R154-Q158 PolarHBondContact O-NE2 2.85Å; L155-Q158 PolarHBondContact O-N 3.12Å; Q158-S161 PolarHBondContact O-N 3.13Å; Q158-A162 PolarHBondContact O-N 3.31Å; Q158-N189 PolarHBondContact NE2-O 3.46Å; Q158-V191 HydrophobicContact CB-CG1 3.47Å; Q158-V191 VanDerWaalsContact CB-CG1 3.47Å; Q158-V191 HydrophobicContact CG-CG1 4.35Å
159	I	98.8	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-52.9	173.9	-70.6	169	0	0	0	110.6	M137 L155 F156 Y157 S161 A162 V163 F181 V191 L240 M243 I247	M137-I159 HydrophobicContact CE-CD1 4.09Å; L155-I159 WeakPolarHBondContact O-CG1 3.23Å; L155-I159 PolarHBondContact O-N 3.49Å; L155-I159 VanDerWaalsContact O-N 3.12Å; F156-I159 HydrophobicContact CD2-CG2 4.42Å; F156-I159 PolarHBondContact O-N 3.35Å; Y157-I159 VanDerWaalsContact C-N 3.35Å; Y157-I159 PolarHBondContact O-N 2.91Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 2.8Å; I159-A162 PolarHBondContact O-N 3.05Å; I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 3.46Å; I159-F181 HydrophobicContact CB-CD1 4.36Å; I159-F181 HydrophobicContact CB-CE1 4.1Å; I159-F181 HydrophobicContact CB-CZ 4.39Å; I159-F181 HydrophobicContact CD1-CG 4.39Å; I159-F181 HydrophobicContact CG1-CD1 3.69Å; I159-F181 HydrophobicContact CG1-CE1 3.95Å; I159-F181 HydrophobicContact CG1-CG 3.99Å; I159-F181 HydrophobicContact CG1-CZ 4.48Å; I159-F181 HydrophobicContact CG2-CD1 4.4Å; I159-F181 HydrophobicContact CG2-CD2 4.48Å; I159-F181 HydrophobicContact CG2-CE1 3.9Å; I159-F181 HydrophobicContact CG2-CE2 4Å; I159-F181 HydrophobicContact CG2-CZ 3.68Å; I159-V191 HydrophobicContact CG1-CG1 4.02Å; I159-V191 HydrophobicContact CG1-CG2 4.5Å; I159-L240 HydrophobicContact CG2-CD2 3.57Å; I159-M243 HydrophobicContact CD1-CE 3.9Å; I159-M243 HydrophobicContact CG1-CE 4.46Å; I159-M243 HydrophobicContact CG2-CE 3.58Å; I159-M243 HydrophobicContact CG2-SD 4.41Å; I159-I247 HydrophobicContact CD1-CD1 4.35Å
160	A	98.6	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-36	179.6	0	0	0	0	0	111.6	F156 Y157 V163 A164 I302 L303	F156-A160 WeakPolarHBondContact O-CB 3.5Å; F156-A160 PolarHBondContact O-N 3.06Å; Y157-A160 PolarHBondContact O-N 3.38Å; A160-V163 PolarHBondContact O-N 2.91Å; A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.44Å; A160-I302 HydrophobicContact CB-CG2 3.97Å; A160-L303 HydrophobicContact CB-CD2 3.74Å; A160-L303 HydrophobicContact CB-CG 4.39Å
161	S	98.6	Very high	98	Very high	24 Å²	24	23 Å²	23	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177.4	-170.8	0	0	0	0	111.4	H110 Y157 Q158 I159 V163 A164 H165	H110-S161 PolarHBondContact CE1-OG 3.22Å; H110-S161 PolarHBondContact NE2-OG 3.17Å; H110-S161 VanDerWaalsContact NE2-OG 3.14Å; Y157-S161 VanDerWaalsContact O-CB 3.31Å; Y157-S161 WeakPolarHBondContact O-CB 3.34Å; Y157-S161 PolarHBondContact O-N 2.84Å; Q158-S161 PolarHBondContact O-N 3.13Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 2.8Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 2.84Å; S161-A164 PolarHBondContact O-N 3.19Å; S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.21Å
162	A	98.6	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.7	0	0	0	0	0	111.8	H112 I113 Q158 I159 H165 C166 F181	H112-A162 HydrophobicContact CB-CB 3.96Å; H112-A162 WeakPolarHBondContact O-CB 3.31Å; I113-A162 HydrophobicContact CG1-CB 3.98Å; Q158-A162 PolarHBondContact O-N 3.31Å; I159-A162 PolarHBondContact O-N 3.05Å; A162-H165 PolarHBondContact O-N 3.42Å; A162-C166 PolarHBondContact O-N 3.29Å; A162-C166 VanDerWaalsContact O-N 3.1Å; A162-C166 PolarHBondContact O-SG 2.98Å; A162-C166 VanDerWaalsContact O-SG 3.33Å; A162-F181 HydrophobicContact CB-CE1 4.31Å
163	V	98.7	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-42.3	179.6	180	0	0	0	0	111.7	I159 A160 S161 H165 C166 H167 L173 L176 F181 L240	I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 3.46Å; A160-V163 PolarHBondContact O-N 2.91Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 2.84Å; V163-H165 VanDerWaalsContact C-N 3.34Å; V163-H165 PolarHBondContact O-N 3.17Å; V163-C166 WeakPolarHBondContact O-CB 3.3Å; V163-C166 PolarHBondContact O-N 3.33Å; V163-H167 PolarHBondContact O-CD2 3.48Å; V163-H167 PolarHBondContact O-N 3.26Å; V163-L173 HydrophobicContact CB-CD1 4.38Å; V163-L173 HydrophobicContact CG1-CD1 4.3Å; V163-L173 HydrophobicContact CG2-CD1 3.84Å; V163-L176 HydrophobicContact CG1-CD1 4.09Å; V163-L176 HydrophobicContact CG2-CD1 3.77Å; V163-L176 HydrophobicContact CG2-CD2 4Å; V163-F181 HydrophobicContact CG2-CZ 4.32Å; V163-L240 HydrophobicContact CB-CD1 4.11Å; V163-L240 HydrophobicContact CG1-CD1 3.98Å; V163-L240 HydrophobicContact CG2-CD1 4.29Å; V163-L240 HydrophobicContact CG2-CD2 3.92Å; V163-L240 HydrophobicContact CG2-CG 4.37Å
164	A	98.5	Very high	97.7	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-46.2	175.3	0	0	0	0	0	111.1	A160 S161 C166 H167 D168 S299 L303	A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.44Å; S161-A164 PolarHBondContact O-N 3.19Å; A164-C166 VanDerWaalsContact C-N 3.33Å; A164-C166 PolarHBondContact O-N 3.37Å; A164-H167 PolarHBondContact O-N 2.82Å; A164-H167 VanDerWaalsContact O-N 3.16Å; A164-D168 WeakPolarHBondContact O-CB 3.46Å; A164-D168 PolarHBondContact O-N 3.26Å; A164-S299 WeakPolarHBondContact CA-OG 3.48Å; A164-L303 HydrophobicContact CB-CD1 3.71Å
165	H	98.4	Very high	97.4	Very high	37 Å²	37	19.8 Å²	19.8	17%	0.171	10%	0.102	C	C	.	.	H	α-helix	trans	-58.8	-42.4	175.9	-176.3	81.4	0	0	0	112.6	G108 H110 S161 A162 V163 N169	G108-H165 PolarHBondContact O-NE2 3.32Å; H110-H165 AromaticContact CD2-CG 3.49Å; H110-H165 VanDerWaalsContact CD2-CG 3.49Å; H110-H165 AromaticContact CD2-ND1 3.64Å; H110-H165 AromaticContact CG-CD2 3.96Å; H110-H165 AromaticContact CG-CG 3.79Å; S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.21Å; A162-H165 PolarHBondContact O-N 3.42Å; V163-H165 VanDerWaalsContact C-N 3.34Å; V163-H165 PolarHBondContact O-N 3.17Å; H165-N169 PolarHBondContact O-N 3.1Å; H165-N169 PolarHBondContact O-ND2 3.49Å
166	C	98.2	Very high	97.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-49.9	173.3	-69.8	0	0	0	0	111.8	A162 V163 A164 D168 N169 G170 L171 L173	A162-C166 PolarHBondContact O-N 3.29Å; A162-C166 VanDerWaalsContact O-N 3.1Å; A162-C166 PolarHBondContact O-SG 2.98Å; A162-C166 VanDerWaalsContact O-SG 3.33Å; V163-C166 WeakPolarHBondContact O-CB 3.3Å; V163-C166 PolarHBondContact O-N 3.33Å; A164-C166 VanDerWaalsContact C-N 3.33Å; A164-C166 PolarHBondContact O-N 3.37Å; C166-D168 PolarHBondContact O-N 2.7Å; C166-N169 CarbonylContact O-C 3.51Å; C166-N169 PolarHBondContact O-N 2.76Å; C166-N169 VanDerWaalsContact O-N 3.15Å; C166-G170 PolarHBondContact O-N 3.48Å; C166-L171 CarbonylContact C-O 3.47Å; C166-L171 HydrophobicContact CB-CB 4.01Å; C166-L171 WeakPolarHBondContact O-CB 3.25Å; C166-L171 PolarHBondContact O-N 3.37Å; C166-L173 HydrophobicContact CB-CD1 4.34Å; C166-L173 HydrophobicContact CB-CD2 4.38Å; C166-L173 HydrophobicContact CB-CG 4.31Å
167	H	98.1	Very high	97.1	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-40.8	-177.6	-73.5	-172.3	0	0	0	112.5	V163 A164 N169 G170 L171 K233 D236 S299	V163-H167 PolarHBondContact O-CD2 3.48Å; V163-H167 PolarHBondContact O-N 3.26Å; A164-H167 PolarHBondContact O-N 2.82Å; A164-H167 VanDerWaalsContact O-N 3.16Å; H167-N169 PolarHBondContact O-N 3.13Å; H167-G170 PolarHBondContact O-N 2.84Å; H167-L171 PolarHBondContact CD2-O 3.46Å; H167-L171 VanDerWaalsContact CD2-O 3.32Å; H167-K233 HydrophobicContact CB-CD 4.16Å; H167-K233 HydrophobicContact CB-CG 4.48Å; H167-K233 PolarHBondContact CE1-O 3.46Å; H167-K233 WeakPolarHBondContact O-CE 3.34Å; H167-K233 PolarHBondContact O-NZ 3.33Å; H167-D236 IonicContact CD2-OD2 2.71Å; H167-D236 IonicContact CE1-OD2 3.58Å; H167-D236 WeakPolarHBondContact NE2-CB 3.47Å; H167-D236 IonicContact NE2-OD2 3.51Å; H167-D236 PolarHBondContact NE2-OD2 3.08Å; H167-S299 PolarHBondContact ND1-OG 3.04Å
168	D	96.3	Very high	97	Very high	100 Å²	100	20 Å²	20	54%	0.535	10%	0.104	S	C	.	.	H	α-helix	trans	-64.3	-26	178	-71.3	-13.5	0	0	0	112	A164 C166	A164-D168 WeakPolarHBondContact O-CB 3.46Å; A164-D168 PolarHBondContact O-N 3.26Å; C166-D168 PolarHBondContact O-N 2.7Å
169	N	96.2	Very high	96.9	Very high	79 Å²	79	25.8 Å²	25.8	42%	0.422	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	17.4	178.2	-69.8	-86.5	0	0	0	113.2	L107 H165 C166 H167	L107-N169 HydrophobicContact CD1-CB 3.46Å; L107-N169 VanDerWaalsContact CD1-CB 3.46Å; H165-N169 PolarHBondContact O-N 3.1Å; H165-N169 PolarHBondContact O-ND2 3.49Å; C166-N169 CarbonylContact O-C 3.51Å; C166-N169 PolarHBondContact O-N 2.76Å; C166-N169 VanDerWaalsContact O-N 3.15Å; H167-N169 PolarHBondContact O-N 3.13Å
170	G	96.6	Very high	96.7	Very high	15 Å²	15	26.4 Å²	26.4	16%	0.155	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	27.6	173.9	0	0	0	0	0	114.5	C166 H167 L202	C166-G170 PolarHBondContact O-N 3.48Å; H167-G170 PolarHBondContact O-N 2.84Å; G170-L202 WeakPolarHBondContact O-CB 3.47Å; G170-L202 WeakPolarHBondContact O-CG 3.13Å; G170-L202 PolarHBondContact O-N 3.16Å
171	L	97.3	Very high	96.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.4	172.9	-65.8	177.9	0	0	0	111.1	A103 L107 C166 H167 Y200 I201	A103-L171 HydrophobicContact CB-CD1 4.33Å; A103-L171 HydrophobicContact CB-CD2 4.12Å; L107-L171 HydrophobicContact CB-CD1 3.92Å; L107-L171 HydrophobicContact CD1-CD1 3.69Å; L107-L171 HydrophobicContact CD2-CD1 3.77Å; L107-L171 HydrophobicContact CG-CD1 3.99Å; C166-L171 CarbonylContact C-O 3.47Å; C166-L171 HydrophobicContact CB-CB 4.01Å; C166-L171 WeakPolarHBondContact O-CB 3.25Å; C166-L171 PolarHBondContact O-N 3.37Å; H167-L171 PolarHBondContact CD2-O 3.46Å; H167-L171 VanDerWaalsContact CD2-O 3.32Å; L171-Y200 WeakPolarHBondContact CA-O 3.31Å; L171-I201 HydrophobicContact CD2-CB 4.05Å; L171-I201 HydrophobicContact CD2-CD1 4.36Å; L171-I201 HydrophobicContact CD2-CG1 3.58Å; L171-I201 HydrophobicContact CD2-CG2 4.13Å
172	V	97.3	Very high	96.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.4	167.4	-179.1	0	0	0	0	109	R174 S199 Y200 L202 D207 L209 G232 K233	V172-R174 HydrophobicContact CB-CG 4.46Å; V172-R174 HydrophobicContact CG1-CG 3.81Å; V172-S199 CarbonylContact O-C 3.55Å; V172-S199 VanDerWaalsContact O-CA 3.29Å; V172-S199 WeakPolarHBondContact O-CA 3.31Å; V172-S199 WeakPolarHBondContact O-CB 3.36Å; V172-Y200 PolarHBondContact N-O 3.26Å; V172-Y200 PolarHBondContact O-N 2.9Å; V172-L202 HydrophobicContact CG2-CD1 4.03Å; V172-L202 HydrophobicContact CG2-CD2 3.92Å; V172-L202 HydrophobicContact CG2-CG 4.1Å; V172-D207 HydrophobicContact CG2-CB 4.4Å; V172-L209 HydrophobicContact CB-CD1 4.25Å; V172-L209 HydrophobicContact CG1-CD1 3.83Å; V172-G232 VanDerWaalsContact CG1-C 3.5Å; V172-K233 HydrophobicContact CG2-CG 4.06Å
173	L	95.9	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.			trans	-87.4	-30.1	-170.5	-68	172.5	0	0	0	113.9	V163 C166 D175 L176 L193 L196 D236	V163-L173 HydrophobicContact CB-CD1 4.38Å; V163-L173 HydrophobicContact CG1-CD1 4.3Å; V163-L173 HydrophobicContact CG2-CD1 3.84Å; C166-L173 HydrophobicContact CB-CD1 4.34Å; C166-L173 HydrophobicContact CB-CD2 4.38Å; C166-L173 HydrophobicContact CB-CG 4.31Å; L173-D175 PolarHBondContact O-N 3.23Å; L173-L176 HydrophobicContact CB-CD2 4.12Å; L173-L176 HydrophobicContact CB-CG 3.96Å; L173-L176 HydrophobicContact CD1-CD1 4.23Å; L173-L176 HydrophobicContact CD1-CD2 3.56Å; L173-L176 HydrophobicContact CD1-CG 4.08Å; L173-L176 HydrophobicContact CG-CD2 4.48Å; L173-L193 HydrophobicContact CD1-CD2 4.02Å; L173-L193 HydrophobicContact CD2-CD2 3.73Å; L173-L196 HydrophobicContact CD2-CD2 3.74Å; L173-D236 PolarHBondContact N-OD2 2.88Å
174	R	93.8	Very high	96.6	Very high	56 Å²	56	29.1 Å²	29.1	21%	0.211	14%	0.137	C	C	.	.	S	Bend	trans	64.4	-21.3	171	-55.7	-171.1	-63.5	-176.1	-7	117.8	V172 D198 S199 L209 D211 D236	V172-R174 HydrophobicContact CB-CG 4.46Å; V172-R174 HydrophobicContact CG1-CG 3.81Å; R174-D198 PolarHBondContact NE-O 3.09Å; R174-D198 PolarHBondContact NH2-O 2.8Å; R174-S199 PolarHBondContact NH2-O 2.83Å; R174-L209 HydrophobicContact CG-CD1 3.9Å; R174-D211 WeakPolarHBondContact CD-OD2 3.34Å; R174-D211 IonicContact CZ-OD2 3.55Å; R174-D211 IonicContact NE-OD2 2.71Å; R174-D211 IonicContact NH1-OD2 3.42Å; R174-D211 PolarHBondContact NH1-OD2 3.42Å; R174-D236 PolarHBondContact N-OD1 3.27Å
175	D	90.6	Very high	96.4	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	14%	0.144	C	C	.	.			trans	-133	46.7	179	-173.1	40.5	0	0	0	112.1	L173 K177 K180	L173-D175 PolarHBondContact O-N 3.23Å; D175-K177 PolarHBondContact O-N 3.5Å; D175-K177 IonicContact OD1-NZ 3.89Å; D175-K177 WeakPolarHBondContact OD2-CE 3.47Å; D175-K177 IonicContact OD2-NZ 3.74Å; D175-K177 PolarHBondContact OD2-NZ 2.67Å; D175-K180 HydrophobicContact CB-CD 4.45Å; D175-K180 WeakPolarHBondContact O-CD 3.36Å
176	L	95.4	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.			trans	-67	121	176.5	-78.2	-178.7	0	0	0	111.7	V163 L173 F181 Y218 D236 L240	V163-L176 HydrophobicContact CG1-CD1 4.09Å; V163-L176 HydrophobicContact CG2-CD1 3.77Å; V163-L176 HydrophobicContact CG2-CD2 4Å; L173-L176 HydrophobicContact CB-CD2 4.12Å; L173-L176 HydrophobicContact CB-CG 3.96Å; L173-L176 HydrophobicContact CD1-CD1 4.23Å; L173-L176 HydrophobicContact CD1-CD2 3.56Å; L173-L176 HydrophobicContact CD1-CG 4.08Å; L173-L176 HydrophobicContact CG-CD2 4.48Å; L176-F181 HydrophobicContact CD2-CE2 3.79Å; L176-F181 HydrophobicContact CD2-CZ 3.94Å; L176-Y218 VanDerWaalsContact O-CD1 3.27Å; L176-Y218 WeakPolarHBondContact O-CD1 3.22Å; L176-D236 HydrophobicContact CD1-CB 3.68Å; L176-D236 WeakPolarHBondContact CD1-O 3.46Å; L176-L240 HydrophobicContact CD1-CD2 4.5Å; L176-L240 HydrophobicContact CD1-CG 4.26Å
177	K	95.5	Very high	96.2	Very high	57 Å²	57	41.3 Å²	41.3	25%	0.248	20%	0.199	C	C	.	.			trans	-154.4	156.6	175.3	62	-164.2	179.7	-151.9	0	109.7	D175 R179 K180 Y218	D175-K177 PolarHBondContact O-N 3.5Å; D175-K177 IonicContact OD1-NZ 3.89Å; D175-K177 WeakPolarHBondContact OD2-CE 3.47Å; D175-K177 IonicContact OD2-NZ 3.74Å; D175-K177 PolarHBondContact OD2-NZ 2.67Å; K177-R179 HydrophobicContact CG-CB 4.29Å; K177-R179 PolarHBondContact O-N 3.4Å; K177-K180 HydrophobicContact CG-CG 4Å; K177-K180 PolarHBondContact O-N 3.43Å; K177-Y218 HydrophobicContact CB-CD1 4.39Å; K177-Y218 HydrophobicContact CB-CD2 4.05Å; K177-Y218 HydrophobicContact CB-CE1 4.13Å; K177-Y218 HydrophobicContact CB-CE2 3.76Å; K177-Y218 HydrophobicContact CB-CG 4.35Å
178	L	97.1	Very high	96.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-52.5	-34.5	179.4	-70.7	175.2	0	0	0	113	M137 H138 V141 K180 F181 Y218 M243 T246 I247	M137-L178 HydrophobicContact CB-CB 4.25Å; M137-L178 HydrophobicContact CB-CD2 4.2Å; M137-L178 WeakPolarHBondContact CB-O 3.37Å; H138-L178 HydrophobicContact CB-CB 3.73Å; V141-L178 HydrophobicContact CG2-CD1 4.31Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 3Å; L178-F181 PolarHBondContact O-N 3.18Å; L178-F181 VanDerWaalsContact O-N 3.12Å; L178-Y218 PolarHBondContact N-OH 3.16Å; L178-M243 HydrophobicContact CD2-CB 4Å; L178-M243 HydrophobicContact CD2-CE 3.82Å; L178-M243 HydrophobicContact CD2-CG 4.09Å; L178-M243 HydrophobicContact CG-CB 4.46Å; L178-M243 HydrophobicContact CG-CG 4.21Å; L178-T246 HydrophobicContact CD1-CG2 3.79Å; L178-I247 HydrophobicContact CD2-CD1 3.78Å; L178-I247 HydrophobicContact CD2-CG1 3.75Å
179	R	95.8	Very high	96.1	Very high	136 Å²	136	45.4 Å²	45.4	51%	0.513	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.6	-28.1	-179.2	-166.6	173	-58.3	165.9	7.5	113.9	H138 K177 F181	H138-R179 HydrophobicContact CB-CB 4.21Å; K177-R179 HydrophobicContact CG-CB 4.29Å; K177-R179 PolarHBondContact O-N 3.4Å; R179-F181 PolarHBondContact O-N 2.89Å
180	K	96.2	Very high	96.1	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.052	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-75.4	-4.1	178.2	-69.4	-168.1	74.9	166.9	0	113.3	D175 K177 L178 L193 E194 S195	D175-K180 HydrophobicContact CB-CD 4.45Å; D175-K180 WeakPolarHBondContact O-CD 3.36Å; K177-K180 HydrophobicContact CG-CG 4Å; K177-K180 PolarHBondContact O-N 3.43Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 3Å; K180-L193 HydrophobicContact CB-CD1 3.94Å; K180-L193 WeakPolarHBondContact O-CA 3.47Å; K180-E194 WeakPolarHBondContact O-CB 3.39Å; K180-E194 PolarHBondContact O-N 3.01Å; K180-S195 WeakPolarHBondContact CE-O 3.29Å; K180-S195 PolarHBondContact NZ-O 2.97Å
181	F	98.3	Very high	96.2	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.9	178.9	-73	-86	0	0	0	109.4	D136 M137 I159 A162 V163 L176 L178 R179 V191 K192 L193 M243	D136-F181 WeakPolarHBondContact CA-O 3.33Å; M137-F181 HydrophobicContact CB-CB 4.26Å; M137-F181 HydrophobicContact CG-CB 3.77Å; M137-F181 WeakPolarHBondContact CG-O 3.15Å; M137-F181 PolarHBondContact N-O 3.18Å; I159-F181 HydrophobicContact CB-CD1 4.36Å; I159-F181 HydrophobicContact CB-CE1 4.1Å; I159-F181 HydrophobicContact CB-CZ 4.39Å; I159-F181 HydrophobicContact CD1-CG 4.39Å; I159-F181 HydrophobicContact CG1-CD1 3.69Å; I159-F181 HydrophobicContact CG1-CE1 3.95Å; I159-F181 HydrophobicContact CG1-CG 3.99Å; I159-F181 HydrophobicContact CG1-CZ 4.48Å; I159-F181 HydrophobicContact CG2-CD1 4.4Å; I159-F181 HydrophobicContact CG2-CD2 4.48Å; I159-F181 HydrophobicContact CG2-CE1 3.9Å; I159-F181 HydrophobicContact CG2-CE2 4Å; I159-F181 HydrophobicContact CG2-CZ 3.68Å; A162-F181 HydrophobicContact CB-CE1 4.31Å; V163-F181 HydrophobicContact CG2-CZ 4.32Å; L176-F181 HydrophobicContact CD2-CE2 3.79Å; L176-F181 HydrophobicContact CD2-CZ 3.94Å; L178-F181 PolarHBondContact O-N 3.18Å; L178-F181 VanDerWaalsContact O-N 3.12Å; R179-F181 PolarHBondContact O-N 2.89Å; F181-V191 HydrophobicContact CB-CG2 3.62Å; F181-V191 HydrophobicContact CD1-CG2 4.14Å; F181-V191 HydrophobicContact CG-CG2 4.35Å; F181-K192 WeakPolarHBondContact CA-O 3.49Å; F181-L193 HydrophobicContact CD1-CB 4.34Å; F181-L193 HydrophobicContact CE1-CB 3.94Å; F181-L193 HydrophobicContact CE1-CD1 4.17Å; F181-L193 HydrophobicContact CE2-CD1 4.17Å; F181-L193 HydrophobicContact CZ-CB 4.48Å; F181-L193 HydrophobicContact CZ-CD1 3.93Å; F181-M243 HydrophobicContact CD2-CE 3.34Å; F181-M243 HydrophobicContact CD2-SD 4.45Å; F181-M243 HydrophobicContact CE2-CE 3.41Å; F181-M243 VanDerWaalsContact CE2-CE 3.41Å; F181-M243 HydrophobicContact CE2-SD 4.07Å; F181-M243 HydrophobicContact CG-CE 4.24Å; F181-M243 HydrophobicContact CZ-CE 4.35Å
182	V	98.1	Very high	96.2	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.9	-173	-61.3	0	0	0	0	110.8	S133 G135 D136 V191 K192 E194	S133-V182 VanDerWaalsContact OG-CG2 3.31Å; S133-V182 WeakPolarHBondContact OG-CG2 3.29Å; G135-V182 WeakPolarHBondContact O-CA 3.42Å; D136-V182 HydrophobicContact CB-CG1 4.15Å; V182-V191 CarbonylContact O-C 3.44Å; V182-V191 WeakPolarHBondContact O-CA 3.32Å; V182-K192 HydrophobicContact CG2-CD 4.42Å; V182-K192 HydrophobicContact CG2-CG 3.76Å; V182-K192 PolarHBondContact N-O 3.26Å; V182-K192 PolarHBondContact O-N 3.33Å; V182-E194 HydrophobicContact CG1-CB 4.09Å; V182-E194 HydrophobicContact CG1-CG 4.22Å; V182-E194 HydrophobicContact CG2-CB 4.1Å; V182-E194 HydrophobicContact CG2-CG 4.39Å
183	F	98.3	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.2	-179.1	-65.6	-74.4	0	0	0	111.9	S133 H134 G135 M137 F140 L155 N185 R188 L190	S133-F183 CarbonylContact C-O 3.57Å; S133-F183 WeakPolarHBondContact CA-O 3.49Å; H134-F183 HydrophobicContact CB-CB 4.02Å; H134-F183 PolarHBondContact N-O 2.84Å; G135-F183 WeakPolarHBondContact O-CD2 3.13Å; G135-F183 PolarHBondContact O-N 3.07Å; M137-F183 HydrophobicContact CG-CZ 4.27Å; M137-F183 HydrophobicContact SD-CE1 3.65Å; M137-F183 HydrophobicContact SD-CE2 4.08Å; M137-F183 HydrophobicContact SD-CZ 3.28Å; M137-F183 WeakPolarHBondContact SD-CZ 3.24Å; F140-F183 HydrophobicContact CB-CE2 3.67Å; F140-F183 HydrophobicContact CB-CZ 4Å; F140-F183 HydrophobicContact CD1-CE2 4.19Å; F140-F183 AromaticContact CD1-CZ 3.63Å; F140-F183 HydrophobicContact CD1-CZ 3.63Å; F140-F183 HydrophobicContact CD2-CE2 4.16Å; F140-F183 HydrophobicContact CD2-CZ 4.19Å; F140-F183 HydrophobicContact CE1-CZ 4.08Å; F140-F183 AromaticContact CG-CE2 3.76Å; F140-F183 HydrophobicContact CG-CE2 3.76Å; F140-F183 AromaticContact CG-CZ 3.68Å; F140-F183 HydrophobicContact CG-CZ 3.68Å; L155-F183 HydrophobicContact CD1-CE1 4.41Å; L155-F183 HydrophobicContact CD2-CE1 4Å; F183-N185 VanDerWaalsContact C-N 3.34Å; F183-R188 HydrophobicContact CB-CB 4.42Å; F183-R188 HydrophobicContact CB-CG 4.06Å; F183-R188 VanDerWaalsContact CD1-C 3.46Å; F183-R188 HydrophobicContact CD1-CB 3.59Å; F183-R188 HydrophobicContact CD1-CG 4.09Å; F183-R188 WeakPolarHBondContact CD1-O 3.2Å; F183-R188 HydrophobicContact CD2-CB 3.99Å; F183-R188 HydrophobicContact CD2-CG 3.69Å; F183-R188 HydrophobicContact CE1-CB 3.7Å; F183-R188 HydrophobicContact CE1-CG 4.46Å; F183-R188 WeakPolarHBondContact CE1-O 3.41Å; F183-R188 HydrophobicContact CE2-CB 4.11Å; F183-R188 HydrophobicContact CE2-CG 4.13Å; F183-R188 HydrophobicContact CG-CB 3.73Å; F183-R188 HydrophobicContact CG-CG 3.67Å; F183-R188 HydrophobicContact CZ-CB 3.94Å; F183-R188 HydrophobicContact CZ-CG 4.46Å; F183-L190 CarbonylContact C-O 3.57Å; F183-L190 VanDerWaalsContact CA-O 3.29Å; F183-L190 WeakPolarHBondContact CA-O 3.07Å
184	K	96.2	Very high	96.3	Very high	71 Å²	71	46.8 Å²	46.8	31%	0.309	22%	0.215	S	C	.	.	S	Bend	trans	-77	-22.5	175.7	-63.4	178	65.7	177.3	0	112.5	E111 H134 L190 K192	E111-K184 PolarHBondContact O-NZ 3.15Å; H134-K184 PolarHBondContact CD2-O 2.88Å; K184-L190 HydrophobicContact CB-CB 4.01Å; K184-L190 HydrophobicContact CD-CB 4.24Å; K184-L190 HydrophobicContact CG-CB 4.43Å; K184-L190 PolarHBondContact N-O 3.28Å; K184-K192 HydrophobicContact CD-CB 4.12Å; K184-K192 HydrophobicContact CD-CD 4.47Å; K184-K192 HydrophobicContact CD-CG 4.39Å; K184-K192 HydrophobicContact CG-CB 3.93Å; K184-K192 HydrophobicContact CG-CD 3.79Å; K184-K192 HydrophobicContact CG-CG 3.68Å
185	N	96.1	Very high	96.3	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	21%	0.208	C	C	.	.	S	Bend	trans	-141.8	163.2	-172.7	66.6	-31.4	0	0	0	112.7	H134 F183 D187 R188 N189 L190	H134-N185 WeakPolarHBondContact CB-O 3.47Å; F183-N185 VanDerWaalsContact C-N 3.34Å; N185-D187 VanDerWaalsContact C-N 3.33Å; N185-D187 PolarHBondContact O-N 3.3Å; N185-R188 PolarHBondContact O-N 3.07Å; N185-R188 VanDerWaalsContact O-N 3.15Å; N185-N189 PolarHBondContact ND2-OD1 3.05Å; N185-N189 PolarHBondContact OD1-OD1 3.1Å; N185-L190 PolarHBondContact OD1-N 3.43Å
186	E	95.3	Very high	96.5	Very high	133 Å²	133	43.5 Å²	43.5	62%	0.621	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.5	-177.7	-67.5	-179.1	-174	0	0	113.5	R132 H134 R188	R132-E186 IonicContact NH2-OE1 3.03Å; R132-E186 PolarHBondContact NH2-OE1 2.82Å; H134-E186 WeakPolarHBondContact CE1-CG 3.5Å; H134-E186 IonicContact CE1-OE1 3.45Å; H134-E186 WeakPolarHBondContact ND1-CG 3.3Å; E186-R188 PolarHBondContact O-N 2.81Å; E186-R188 VanDerWaalsContact O-N 3.17Å
187	D	96.1	Very high	96.3	Very high	132 Å²	132	46.4 Å²	46.4	71%	0.706	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.5	176.1	-56.5	-44.9	0	0	0	112.9	N185 N189	N185-D187 VanDerWaalsContact C-N 3.33Å; N185-D187 PolarHBondContact O-N 3.3Å; D187-N189 PolarHBondContact O-N 3.1Å
188	R	95.9	Very high	96	Very high	106 Å²	106	48.2 Å²	48.2	40%	0.4	23%	0.228	S	C	.	.	S	Bend	trans	53.3	38.5	177.8	-63.5	-177.4	176.6	158	3.9	113.9	H134 F140 F183 N185 E186	H134-R188 PolarHBondContact O-NE 2.95Å; H134-R188 VanDerWaalsContact O-NE 3.12Å; F140-R188 HydrophobicContact CE2-CB 4.35Å; F183-R188 HydrophobicContact CB-CB 4.42Å; F183-R188 HydrophobicContact CB-CG 4.06Å; F183-R188 VanDerWaalsContact CD1-C 3.46Å; F183-R188 HydrophobicContact CD1-CB 3.59Å; F183-R188 HydrophobicContact CD1-CG 4.09Å; F183-R188 WeakPolarHBondContact CD1-O 3.2Å; F183-R188 HydrophobicContact CD2-CB 3.99Å; F183-R188 HydrophobicContact CD2-CG 3.69Å; F183-R188 HydrophobicContact CE1-CB 3.7Å; F183-R188 HydrophobicContact CE1-CG 4.46Å; F183-R188 WeakPolarHBondContact CE1-O 3.41Å; F183-R188 HydrophobicContact CE2-CB 4.11Å; F183-R188 HydrophobicContact CE2-CG 4.13Å; F183-R188 HydrophobicContact CG-CB 3.73Å; F183-R188 HydrophobicContact CG-CG 3.67Å; F183-R188 HydrophobicContact CZ-CB 3.94Å; F183-R188 HydrophobicContact CZ-CG 4.46Å; N185-R188 PolarHBondContact O-N 3.07Å; N185-R188 VanDerWaalsContact O-N 3.15Å; E186-R188 PolarHBondContact O-N 2.81Å; E186-R188 VanDerWaalsContact O-N 3.17Å
189	N	95.7	Very high	95.9	Very high	86 Å²	86	48.9 Å²	48.9	46%	0.46	23%	0.233	S	C	.	.			trans	-108.4	-10.5	174.9	65.5	4.6	0	0	0	113.1	Q158 N185 D187	Q158-N189 PolarHBondContact NE2-O 3.46Å; N185-N189 PolarHBondContact ND2-OD1 3.05Å; N185-N189 PolarHBondContact OD1-OD1 3.1Å; D187-N189 PolarHBondContact O-N 3.1Å
190	L	97.6	Very high	95.9	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.293	23%	0.227	S	C	.	.			trans	-115.4	126.4	174.9	-65.5	175.8	0	0	0	110.8	F183 K184 N185	F183-L190 CarbonylContact C-O 3.57Å; F183-L190 VanDerWaalsContact CA-O 3.29Å; F183-L190 WeakPolarHBondContact CA-O 3.07Å; K184-L190 HydrophobicContact CB-CB 4.01Å; K184-L190 HydrophobicContact CD-CB 4.24Å; K184-L190 HydrophobicContact CG-CB 4.43Å; K184-L190 PolarHBondContact N-O 3.28Å; N185-L190 PolarHBondContact OD1-N 3.43Å
191	V	98.1	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.7	-177.4	64.9	0	0	0	0	111.4	H112 M137 L155 Q158 I159 F181 V182	H112-V191 WeakPolarHBondContact CB-O 3.03Å; H112-V191 PolarHBondContact ND1-O 3.24Å; M137-V191 HydrophobicContact CG-CG2 3.84Å; M137-V191 HydrophobicContact SD-CG2 4.29Å; L155-V191 HydrophobicContact CD2-CG1 4.43Å; Q158-V191 HydrophobicContact CB-CG1 3.47Å; Q158-V191 VanDerWaalsContact CB-CG1 3.47Å; Q158-V191 HydrophobicContact CG-CG1 4.35Å; I159-V191 HydrophobicContact CG1-CG1 4.02Å; I159-V191 HydrophobicContact CG1-CG2 4.5Å; F181-V191 HydrophobicContact CB-CG2 3.62Å; F181-V191 HydrophobicContact CD1-CG2 4.14Å; F181-V191 HydrophobicContact CG-CG2 4.35Å; V182-V191 CarbonylContact O-C 3.44Å; V182-V191 WeakPolarHBondContact O-CA 3.32Å
192	K	97.9	Very high	95.7	Very high	6 Å²	6	51 Å²	51	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.5	172.7	58.9	175.9	173.2	179	0	111.4	H112 N114 D131 S133 F181 V182 K184 E194	H112-K192 CarbonylContact O-C 3.57Å; H112-K192 VanDerWaalsContact O-CA 3.31Å; H112-K192 WeakPolarHBondContact O-CA 3.33Å; N114-K192 HydrophobicContact CB-CD 4Å; N114-K192 WeakPolarHBondContact OD1-CE 3.41Å; N114-K192 PolarHBondContact OD1-NZ 2.86Å; D131-K192 PolarHBondContact O-NZ 2.85Å; D131-K192 VanDerWaalsContact O-NZ 3.11Å; S133-K192 WeakPolarHBondContact OG-CE 3.29Å; F181-K192 WeakPolarHBondContact CA-O 3.49Å; V182-K192 HydrophobicContact CG2-CD 4.42Å; V182-K192 HydrophobicContact CG2-CG 3.76Å; V182-K192 PolarHBondContact N-O 3.26Å; V182-K192 PolarHBondContact O-N 3.33Å; K184-K192 HydrophobicContact CD-CB 4.12Å; K184-K192 HydrophobicContact CD-CD 4.47Å; K184-K192 HydrophobicContact CD-CG 4.39Å; K184-K192 HydrophobicContact CG-CB 3.93Å; K184-K192 HydrophobicContact CG-CD 3.79Å; K184-K192 HydrophobicContact CG-CG 3.68Å; K192-E194 PolarHBondContact O-N 3.22Å
193	L	98.1	Very high	95.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.8	165.1	179.4	64.1	0	0	0	108.8	H112 N114 L173 K180 F181 L196	H112-L193 PolarHBondContact O-N 2.84Å; N114-L193 WeakPolarHBondContact CB-O 3.45Å; N114-L193 PolarHBondContact N-O 2.84Å; L173-L193 HydrophobicContact CD1-CD2 4.02Å; L173-L193 HydrophobicContact CD2-CD2 3.73Å; K180-L193 HydrophobicContact CB-CD1 3.94Å; K180-L193 WeakPolarHBondContact O-CA 3.47Å; F181-L193 HydrophobicContact CD1-CB 4.34Å; F181-L193 HydrophobicContact CE1-CB 3.94Å; F181-L193 HydrophobicContact CE1-CD1 4.17Å; F181-L193 HydrophobicContact CE2-CD1 4.17Å; F181-L193 HydrophobicContact CZ-CB 4.48Å; F181-L193 HydrophobicContact CZ-CD1 3.93Å; L193-L196 HydrophobicContact CD2-CD2 3.58Å
194	E	95.9	Very high	94.9	Very high	62 Å²	62	58 Å²	58	29%	0.29	31%	0.31	S	S	.	.			trans	-68.5	-44.1	-170.6	-175.7	-168	-172	0	0	113.5	N114 K180 V182 K192	N114-E194 WeakPolarHBondContact CB-O 3.31Å; N114-E194 PolarHBondContact ND2-O 2.85Å; K180-E194 WeakPolarHBondContact O-CB 3.39Å; K180-E194 PolarHBondContact O-N 3.01Å; V182-E194 HydrophobicContact CG1-CB 4.09Å; V182-E194 HydrophobicContact CG1-CG 4.22Å; V182-E194 HydrophobicContact CG2-CB 4.1Å; V182-E194 HydrophobicContact CG2-CG 4.39Å; K192-E194 PolarHBondContact O-N 3.22Å
195	S	94.1	Very high	94.6	Very high	11 Å²	11	62.5 Å²	62.5	8%	0.077	34%	0.337	C	S	.	.			trans	-150	146.2	-177.5	-178.4	0	0	0	0	114.8	Y104 K180 E197	Y104-S195 VanDerWaalsContact OH-CA 3.3Å; Y104-S195 WeakPolarHBondContact OH-CA 3.14Å; Y104-S195 PolarHBondContact OH-OG 3.42Å; K180-S195 WeakPolarHBondContact CE-O 3.29Å; K180-S195 PolarHBondContact NZ-O 2.97Å; S195-E197 VanDerWaalsContact OG-CD 3.22Å; S195-E197 VanDerWaalsContact OG-CG 3.25Å; S195-E197 WeakPolarHBondContact OG-CG 3.18Å; S195-E197 PolarHBondContact OG-N 3.34Å; S195-E197 VanDerWaalsContact OG-N 3.13Å; S195-E197 PolarHBondContact OG-OE1 3.48Å
196	L	95.6	Very high	94.4	Very high	2 Å²	2	66 Å²	66	1%	0.01	36%	0.356	C	S	.	.			trans	-103.5	3	174.2	-60.9	176.7	0	0	0	114.1	A103 Y104 L107 I113 L173 L193 D198 S199	A103-L196 HydrophobicContact CB-CB 3.81Å; A103-L196 HydrophobicContact CB-CD1 4.34Å; Y104-L196 HydrophobicContact CD1-CD1 3.92Å; Y104-L196 HydrophobicContact CD2-CB 4.26Å; Y104-L196 HydrophobicContact CE1-CB 4.4Å; Y104-L196 HydrophobicContact CE1-CD1 4.06Å; Y104-L196 HydrophobicContact CE1-CG 4.2Å; Y104-L196 HydrophobicContact CE2-CB 3.93Å; Y104-L196 HydrophobicContact CG-CD1 4.22Å; Y104-L196 PolarHBondContact OH-N 3.32Å; L107-L196 HydrophobicContact CD2-CD1 3.69Å; I113-L196 HydrophobicContact CG2-CD1 4.03Å; I113-L196 HydrophobicContact CG2-CD2 4.46Å; I113-L196 HydrophobicContact CG2-CG 4.31Å; L173-L196 HydrophobicContact CD2-CD2 3.74Å; L193-L196 HydrophobicContact CD2-CD2 3.58Å; L196-D198 VanDerWaalsContact C-N 3.26Å; L196-D198 PolarHBondContact O-N 2.64Å; L196-S199 VanDerWaalsContact O-CB 3.31Å; L196-S199 WeakPolarHBondContact O-CB 3.15Å; L196-S199 PolarHBondContact O-N 2.87Å; L196-S199 PolarHBondContact O-OG 3.12Å
197	E	91.1	Very high	94.5	Very high	62 Å²	62	61 Å²	61	29%	0.29	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.3	-171.9	-70.9	158.4	-118.2	0	0	113.9	K90 F92 S195	K90-E197 IonicContact NZ-OE1 3.73Å; K90-E197 PolarHBondContact NZ-OE1 2.72Å; F92-E197 HydrophobicContact CE1-CG 4.41Å; F92-E197 HydrophobicContact CZ-CG 4.44Å; S195-E197 VanDerWaalsContact OG-CD 3.22Å; S195-E197 VanDerWaalsContact OG-CG 3.25Å; S195-E197 WeakPolarHBondContact OG-CG 3.18Å; S195-E197 PolarHBondContact OG-N 3.34Å; S195-E197 VanDerWaalsContact OG-N 3.13Å; S195-E197 PolarHBondContact OG-OE1 3.48Å
198	D	89.2	Confident	94.4	Very high	94 Å²	94	57.4 Å²	57.4	50%	0.503	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	3.9	178.8	-57.9	-56.2	0	0	0	114.1	R174 L196	R174-D198 PolarHBondContact NE-O 3.09Å; R174-D198 PolarHBondContact NH2-O 2.8Å; L196-D198 VanDerWaalsContact C-N 3.26Å; L196-D198 PolarHBondContact O-N 2.64Å
199	S	94.4	Very high	94.2	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	30%	0.301	C	S	.	.			trans	-73.6	161.8	-179.5	67.8	0	0	0	0	112	A103 V172 R174 L196	A103-S199 WeakPolarHBondContact CB-OG 3.34Å; V172-S199 CarbonylContact O-C 3.55Å; V172-S199 VanDerWaalsContact O-CA 3.29Å; V172-S199 WeakPolarHBondContact O-CA 3.31Å; V172-S199 WeakPolarHBondContact O-CB 3.36Å; R174-S199 PolarHBondContact NH2-O 2.83Å; L196-S199 VanDerWaalsContact O-CB 3.31Å; L196-S199 WeakPolarHBondContact O-CB 3.15Å; L196-S199 PolarHBondContact O-N 2.87Å; L196-S199 PolarHBondContact O-OG 3.12Å
200	Y	95	Very high	93.9	Very high	102 Å²	102	53 Å²	53	40%	0.4	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	177.9	-172.4	-87.9	0	0	0	109.8	L171 V172 L202 L209	L171-Y200 WeakPolarHBondContact CA-O 3.31Å; V172-Y200 PolarHBondContact N-O 3.26Å; V172-Y200 PolarHBondContact O-N 2.9Å; Y200-L202 HydrophobicContact CD1-CD2 3.79Å; Y200-L202 HydrophobicContact CE1-CD2 3.96Å; Y200-L209 HydrophobicContact CD1-CD2 3.57Å; Y200-L209 HydrophobicContact CD2-CD2 4.39Å; Y200-L209 HydrophobicContact CE1-CD2 3.68Å; Y200-L209 HydrophobicContact CE2-CD2 4.49Å; Y200-L209 HydrophobicContact CG-CD2 3.94Å
201	I	95.9	Very high	93.3	Very high	72 Å²	72	52 Å²	52	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	177.5	-43.3	-172.6	0	0	0	108.7	A102 A106 L171	A102-I201 HydrophobicContact CB-CD1 3.83Å; A106-I201 HydrophobicContact CB-CD1 4.12Å; L171-I201 HydrophobicContact CD2-CB 4.05Å; L171-I201 HydrophobicContact CD2-CD1 4.36Å; L171-I201 HydrophobicContact CD2-CG1 3.58Å; L171-I201 HydrophobicContact CD2-CG2 4.13Å
202	L	95.3	Very high	92.4	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.099	33%	0.334	C	S	.	.			trans	-73.8	136.8	-179.4	-60.5	180	0	0	0	111.3	G170 V172 Y200 G204 D206 D207	G170-L202 WeakPolarHBondContact O-CB 3.47Å; G170-L202 WeakPolarHBondContact O-CG 3.13Å; G170-L202 PolarHBondContact O-N 3.16Å; V172-L202 HydrophobicContact CG2-CD1 4.03Å; V172-L202 HydrophobicContact CG2-CD2 3.92Å; V172-L202 HydrophobicContact CG2-CG 4.1Å; Y200-L202 HydrophobicContact CD1-CD2 3.79Å; Y200-L202 HydrophobicContact CE1-CD2 3.96Å; L202-G204 PolarHBondContact O-N 2.9Å; L202-G204 VanDerWaalsContact O-N 3.1Å; L202-D206 WeakPolarHBondContact CD2-O 3.47Å; L202-D207 HydrophobicContact CD1-CB 3.65Å; L202-D207 HydrophobicContact CD2-CB 4.21Å
203	A	88.8	Confident	91.1	Very high	107 Å²	107	63.4 Å²	63.4	88%	0.884	36%	0.356	S	S	*	.	S	Bend	trans	-84.6	65.2	168.3	0	0	0	0	0	109.8
204	G	90.1	Very high	89.8	Confident	49 Å²	49	65.3 Å²	65.3	51%	0.505	38%	0.377	S	S	.	.	S	Bend	trans	110.9	-145.7	-179.5	0	0	0	0	0	113.6	L202	L202-G204 PolarHBondContact O-N 2.9Å; L202-G204 VanDerWaalsContact O-N 3.1Å
205	L	89.8	Confident	89.2	Confident	166 Å²	166	64.5 Å²	64.5	87%	0.869	38%	0.377	S	S	*	.	S	Bend	trans	-89.9	-19.2	-175.5	-62.5	179.7	0	0	0	113.8	D207	L205-D207 PolarHBondContact O-N 3.22Å
206	D	93.8	Very high	88.8	Confident	106 Å²	106	67.2 Å²	67.2	57%	0.567	40%	0.395	S	S	*	.			trans	-71.2	119.5	177.9	-176.5	14.9	0	0	0	109.6	L202 S208	L202-D206 WeakPolarHBondContact CD2-O 3.47Å; D206-S208 WeakPolarHBondContact OD1-CB 3.42Å; D206-S208 PolarHBondContact OD1-N 2.86Å; D206-S208 PolarHBondContact OD1-OG 3.28Å
207	D	95.8	Very high	88.5	Confident	27 Å²	27	67.8 Å²	67.8	14%	0.144	40%	0.399	C	S	.	.			trans	-105.3	18	178.2	79.9	-40.5	0	0	0	112.9	V172 L202 L205 L209 S231 G232 K233	V172-D207 HydrophobicContact CG2-CB 4.4Å; L202-D207 HydrophobicContact CD1-CB 3.65Å; L202-D207 HydrophobicContact CD2-CB 4.21Å; L205-D207 PolarHBondContact O-N 3.22Å; D207-L209 PolarHBondContact O-N 3.19Å; D207-S231 PolarHBondContact OD1-OG 2.83Å; D207-S231 WeakPolarHBondContact OD2-CB 3.39Å; D207-S231 PolarHBondContact OD2-OG 3.3Å; D207-G232 PolarHBondContact O-N 3.4Å; D207-G232 PolarHBondContact OD2-N 3.4Å; D207-K233 HydrophobicContact CB-CD 4.32Å; D207-K233 HydrophobicContact CB-CG 4.06Å; D207-K233 VanDerWaalsContact OD2-CB 3.24Å; D207-K233 WeakPolarHBondContact OD2-CB 3.3Å; D207-K233 WeakPolarHBondContact OD2-CG 3.41Å; D207-K233 PolarHBondContact OD2-N 3.09Å
208	S	94.1	Very high	88.7	Confident	56 Å²	56	65.1 Å²	65.1	39%	0.392	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	116.6	176.9	-64.3	0	0	0	0	111.9	D206 Y230	D206-S208 WeakPolarHBondContact OD1-CB 3.42Å; D206-S208 PolarHBondContact OD1-N 2.86Å; D206-S208 PolarHBondContact OD1-OG 3.28Å; S208-Y230 CarbonylContact C-O 3.58Å; S208-Y230 WeakPolarHBondContact CA-O 2.94Å
209	L	92.3	Very high	88.9	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.037	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.2	178.1	-63.3	-174	0	0	0	111	V172 R174 Y200 D207 D211 S229 Y230	V172-L209 HydrophobicContact CB-CD1 4.25Å; V172-L209 HydrophobicContact CG1-CD1 3.83Å; R174-L209 HydrophobicContact CG-CD1 3.9Å; Y200-L209 HydrophobicContact CD1-CD2 3.57Å; Y200-L209 HydrophobicContact CD2-CD2 4.39Å; Y200-L209 HydrophobicContact CE1-CD2 3.68Å; Y200-L209 HydrophobicContact CE2-CD2 4.49Å; Y200-L209 HydrophobicContact CG-CD2 3.94Å; D207-L209 PolarHBondContact O-N 3.19Å; L209-D211 WeakPolarHBondContact CB-OD1 3.45Å; L209-S229 CarbonylContact O-C 3.41Å; L209-S229 WeakPolarHBondContact O-CA 3.29Å; L209-S229 WeakPolarHBondContact O-CB 3.46Å; L209-Y230 HydrophobicContact CB-CE1 4.01Å; L209-Y230 HydrophobicContact CB-CE2 4.12Å; L209-Y230 PolarHBondContact N-O 3.01Å; L209-Y230 WeakPolarHBondContact O-CD1 3.48Å; L209-Y230 WeakPolarHBondContact O-CE1 3.46Å; L209-Y230 PolarHBondContact O-N 3.35Å
210	S	89.6	Confident	88.9	Confident	94 Å²	94	60.6 Å²	60.6	66%	0.657	36%	0.362	S	S	*	.			trans	-123.2	-8.6	-179.7	60.1	0	0	0	0	113.7
211	D	84.9	Confident	88.9	Confident	34 Å²	34	55.9 Å²	55.9	18%	0.182	34%	0.344	C	S	.	.			trans	-77.2	141	177.8	60.8	-49.8	0	0	0	111.2	R174 L209 H213 Y230	R174-D211 WeakPolarHBondContact CD-OD2 3.34Å; R174-D211 IonicContact CZ-OD2 3.55Å; R174-D211 IonicContact NE-OD2 2.71Å; R174-D211 IonicContact NH1-OD2 3.42Å; R174-D211 PolarHBondContact NH1-OD2 3.42Å; L209-D211 WeakPolarHBondContact CB-OD1 3.45Å; D211-H213 IonicContact OD2-CD2 2.71Å; D211-H213 PolarHBondContact OD2-CD2 3.35Å; D211-H213 IonicContact OD2-NE2 3.16Å; D211-Y230 WeakPolarHBondContact O-CE1 3.33Å; D211-Y230 PolarHBondContact O-OH 2.86Å
212	K	78.6	Confident	88.8	Confident	138 Å²	138	53.5 Å²	53.5	60%	0.6	33%	0.331	S	S	*	.			trans	-104.5	90.3	179.4	-63.1	-172.1	-179.7	-171.9	0	109.2	I223 A226	K212-I223 HydrophobicContact CG-CG2 4.32Å; K212-A226 PolarHBondContact NZ-O 3.01Å
213	H	71.7	Confident	88.6	Confident	107 Å²	107	53.3 Å²	53.3	50%	0.495	33%	0.33	S	S	.	.			trans	-114	156.7	172.7	-68.4	-92.7	0	0	0	110.6	D211	D211-H213 IonicContact OD2-CD2 2.71Å; D211-H213 PolarHBondContact OD2-CD2 3.35Å; D211-H213 IonicContact OD2-NE2 3.16Å
214	G	69.8	Low	88.7	Confident	42 Å²	42	50 Å²	50	43%	0.433	30%	0.297	S	S	.	.	S	Bend	trans	129.5	154.5	170.4	0	0	0	0	0	114.6
215	C	83.1	Confident	88.4	Confident	45 Å²	45	52 Å²	52	30%	0.304	30%	0.297	S	S	.	.			trans	-68.2	135.9	173.2	-179.6	0	0	0	0	110.8	A217 Y218 V219	C215-A217 PolarHBondContact O-N 2.96Å; C215-Y218 HydrophobicContact CB-CD2 3.9Å; C215-Y218 PolarHBondContact O-N 2.88Å; C215-V219 PolarHBondContact O-N 3.18Å; C215-V219 VanDerWaalsContact O-N 3.12Å
216	P	86.6	Confident	87.4	Confident	68 Å²	68	45 Å²	45	44%	0.442	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.5	-178.3	-31	36.2	0	0	0	116	Y218 V219 L262 F263 I266	P216-Y218 VanDerWaalsContact C-N 3.34Å; P216-V219 WeakPolarHBondContact O-CG1 3.47Å; P216-L262 HydrophobicContact CB-CD2 4.09Å; P216-F263 HydrophobicContact CB-CE1 4.08Å; P216-F263 HydrophobicContact CB-CZ 4.44Å; P216-I266 WeakPolarHBondContact O-CD1 3.3Å
217	A	89.3	Confident	86.1	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.3	177.8	0	0	0	0	0	113.7	C215 V242 Y252	C215-A217 PolarHBondContact O-N 2.96Å; A217-V242 WeakPolarHBondContact O-CG1 3.3Å; A217-Y252 HydrophobicContact CB-CD1 4.04Å; A217-Y252 HydrophobicContact CB-CD2 4.17Å; A217-Y252 HydrophobicContact CB-CE1 4.09Å; A217-Y252 HydrophobicContact CB-CE2 4.22Å; A217-Y252 HydrophobicContact CB-CG 4.08Å
218	Y	94.3	Very high	85.3	Confident	6 Å²	6	49.4 Å²	49.4	2%	0.024	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-9.4	-176	-66.8	-95.4	0	0	0	112.9	L176 K177 L178 C215 P216 S220 W238 S239 V242 M243 Y252	L176-Y218 VanDerWaalsContact O-CD1 3.27Å; L176-Y218 WeakPolarHBondContact O-CD1 3.22Å; K177-Y218 HydrophobicContact CB-CD1 4.39Å; K177-Y218 HydrophobicContact CB-CD2 4.05Å; K177-Y218 HydrophobicContact CB-CE1 4.13Å; K177-Y218 HydrophobicContact CB-CE2 3.76Å; K177-Y218 HydrophobicContact CB-CG 4.35Å; L178-Y218 PolarHBondContact N-OH 3.16Å; C215-Y218 HydrophobicContact CB-CD2 3.9Å; C215-Y218 PolarHBondContact O-N 2.88Å; P216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-S220 PolarHBondContact O-N 2.74Å; Y218-W238 VanDerWaalsContact O-CD1 3.25Å; Y218-S239 PolarHBondContact O-OG 3.33Å; Y218-V242 HydrophobicContact CD1-CB 3.79Å; Y218-V242 HydrophobicContact CD1-CG1 3.54Å; Y218-V242 HydrophobicContact CE1-CB 4.09Å; Y218-V242 HydrophobicContact CE1-CG1 3.59Å; Y218-V242 HydrophobicContact CG-CG1 4.09Å; Y218-M243 HydrophobicContact CD1-CG 4.34Å; Y218-M243 HydrophobicContact CE1-CG 3.61Å; Y218-Y252 AromaticContact CE2-CE1 3.7Å; Y218-Y252 HydrophobicContact CE2-CE1 3.7Å; Y218-Y252 AromaticContact CZ-CE1 3.75Å
219	V	93.8	Very high	85.1	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.085	30%	0.304	C	S	.	.			trans	-61.9	136.4	-179.9	73.3	0	0	0	0	111.3	C215 P216 I223 L224 W238 F263 I266	C215-V219 PolarHBondContact O-N 3.18Å; C215-V219 VanDerWaalsContact O-N 3.12Å; P216-V219 WeakPolarHBondContact O-CG1 3.47Å; V219-I223 HydrophobicContact CG2-CB 3.77Å; V219-I223 HydrophobicContact CG2-CD1 4.24Å; V219-I223 HydrophobicContact CG2-CG2 3.59Å; V219-L224 HydrophobicContact CG1-CD1 4.15Å; V219-L224 HydrophobicContact CG1-CD2 3.95Å; V219-L224 HydrophobicContact CG1-CG 4.14Å; V219-L224 HydrophobicContact CG2-CD2 4.01Å; V219-L224 HydrophobicContact CG2-CG 4.22Å; V219-W238 PolarHBondContact O-NE1 3.33Å; V219-W238 VanDerWaalsContact O-NE1 3.1Å; V219-F263 HydrophobicContact CG1-CD1 4.4Å; V219-F263 HydrophobicContact CG1-CE1 4.23Å; V219-I266 HydrophobicContact CG1-CD1 3.76Å; V219-I266 WeakPolarHBondContact O-CG2 3.18Å
220	S	94.5	Very high	85.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	31%	0.305	C	S	.	.			trans	-86.6	158.4	-179.3	65.8	0	0	0	0	112.5	Y218 E222 I223 L224	Y218-S220 PolarHBondContact O-N 2.74Å; S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 VanDerWaalsContact CB-CD 3.42Å; S220-E222 WeakPolarHBondContact CB-OE1 3.28Å; S220-E222 WeakPolarHBondContact CB-OE2 3.47Å; S220-E222 PolarHBondContact O-N 3.46Å; S220-E222 PolarHBondContact OG-OE1 2.79Å; S220-E222 PolarHBondContact OG-OE2 2.93Å; S220-I223 PolarHBondContact O-N 3.2Å; S220-I223 WeakPolarHBondContact OG-CD1 3.29Å; S220-I223 WeakPolarHBondContact OG-CG1 3.34Å; S220-L224 PolarHBondContact O-N 3.04Å
221	P	94.5	Very high	85.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-38.4	-179	-25.6	34.9	0	0	0	113.7	L224 N225 W238 I266 R291	P221-L224 WeakPolarHBondContact O-CB 3.24Å; P221-L224 PolarHBondContact O-N 2.91Å; P221-N225 WeakPolarHBondContact O-CB 3.42Å; P221-N225 VanDerWaalsContact O-CG 3.23Å; P221-N225 PolarHBondContact O-N 2.87Å; P221-N225 PolarHBondContact O-ND2 2.82Å; P221-W238 HydrophobicContact CG-CE3 4.29Å; P221-W238 HydrophobicContact CG-CH2 3.56Å; P221-W238 HydrophobicContact CG-CZ2 3.95Å; P221-W238 HydrophobicContact CG-CZ3 3.75Å; P221-I266 HydrophobicContact CG-CG2 4.12Å; P221-R291 HydrophobicContact CB-CG 4.43Å; P221-R291 HydrophobicContact CG-CG 4.48Å
222	E	93.6	Very high	86.1	Confident	23 Å²	23	46.6 Å²	46.6	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-67.6	-36.8	-178.8	65.1	-78.6	-173.9	0	0	112.3	S220 L224 N225 A226 P293 R296	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 VanDerWaalsContact CB-CD 3.42Å; S220-E222 WeakPolarHBondContact CB-OE1 3.28Å; S220-E222 WeakPolarHBondContact CB-OE2 3.47Å; S220-E222 PolarHBondContact O-N 3.46Å; S220-E222 PolarHBondContact OG-OE1 2.79Å; S220-E222 PolarHBondContact OG-OE2 2.93Å; E222-L224 PolarHBondContact O-N 2.79Å; E222-N225 PolarHBondContact O-N 3.32Å; E222-A226 WeakPolarHBondContact O-CA 3.47Å; E222-A226 WeakPolarHBondContact O-CB 3.42Å; E222-A226 PolarHBondContact O-N 2.84Å; E222-P293 HydrophobicContact CB-CG 3.92Å; E222-P293 HydrophobicContact CG-CG 3.83Å; E222-R296 IonicContact OE1-CZ 3.59Å; E222-R296 IonicContact OE1-NH1 3.08Å; E222-R296 PolarHBondContact OE1-NH1 2.68Å; E222-R296 IonicContact OE1-NH2 3.66Å; E222-R296 IonicContact OE2-CZ 3.31Å; E222-R296 IonicContact OE2-NH1 3.85Å; E222-R296 PolarHBondContact OE2-NH1 3.29Å; E222-R296 IonicContact OE2-NH2 2.69Å; E222-R296 PolarHBondContact OE2-NH2 3.28Å
223	I	92.7	Very high	87	Confident	15 Å²	15	42.6 Å²	42.6	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-35.7	174	-66.7	171.5	0	0	0	110.8	K212 V219 S220 Y230 A235	K212-I223 HydrophobicContact CG-CG2 4.32Å; V219-I223 HydrophobicContact CG2-CB 3.77Å; V219-I223 HydrophobicContact CG2-CD1 4.24Å; V219-I223 HydrophobicContact CG2-CG2 3.59Å; S220-I223 PolarHBondContact O-N 3.2Å; S220-I223 WeakPolarHBondContact OG-CD1 3.29Å; S220-I223 WeakPolarHBondContact OG-CG1 3.34Å; I223-Y230 HydrophobicContact CD1-CD2 4.34Å; I223-Y230 HydrophobicContact CD1-CE2 3.86Å; I223-Y230 HydrophobicContact CG1-CD1 4.12Å; I223-Y230 HydrophobicContact CG1-CD2 3.81Å; I223-Y230 HydrophobicContact CG1-CE1 4.05Å; I223-Y230 HydrophobicContact CG1-CE2 3.72Å; I223-Y230 HydrophobicContact CG1-CG 4.02Å; I223-A235 HydrophobicContact CD1-CB 3.96Å
224	L	90	Very high	88.3	Confident	38 Å²	38	38.1 Å²	38.1	20%	0.199	24%	0.242	C	C	.	.	H	α-helix	trans	-75.5	-26.6	178.3	-61	178.9	0	0	0	113.5	V219 S220 P221 E222 F263 I266 R267	V219-L224 HydrophobicContact CG1-CD1 4.15Å; V219-L224 HydrophobicContact CG1-CD2 3.95Å; V219-L224 HydrophobicContact CG1-CG 4.14Å; V219-L224 HydrophobicContact CG2-CD2 4.01Å; V219-L224 HydrophobicContact CG2-CG 4.22Å; S220-L224 PolarHBondContact O-N 3.04Å; P221-L224 WeakPolarHBondContact O-CB 3.24Å; P221-L224 PolarHBondContact O-N 2.91Å; E222-L224 PolarHBondContact O-N 2.79Å; L224-F263 HydrophobicContact CD1-CB 3.94Å; L224-F263 HydrophobicContact CD1-CD1 4.02Å; L224-F263 HydrophobicContact CD1-CG 4.21Å; L224-F263 HydrophobicContact CD2-CD1 3.94Å; L224-F263 HydrophobicContact CD2-CE1 4.26Å; L224-F263 HydrophobicContact CD2-CG 4.12Å; L224-I266 HydrophobicContact CD1-CB 3.9Å; L224-I266 HydrophobicContact CD1-CD1 4.49Å; L224-I266 HydrophobicContact CD1-CG2 3.62Å; L224-R267 HydrophobicContact CB-CG 4.21Å; L224-R267 HydrophobicContact CD1-CG 4.19Å
225	N	83.4	Confident	89.6	Confident	91 Å²	91	36.5 Å²	36.5	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-101.2	-17.7	-175.6	-68.1	-20.2	0	0	0	113.4	P221 E222 N227 R267	P221-N225 WeakPolarHBondContact O-CB 3.42Å; P221-N225 VanDerWaalsContact O-CG 3.23Å; P221-N225 PolarHBondContact O-N 2.87Å; P221-N225 PolarHBondContact O-ND2 2.82Å; E222-N225 PolarHBondContact O-N 3.32Å; N225-N227 PolarHBondContact O-N 3.48Å; N225-R267 WeakPolarHBondContact OD1-CD 3.41Å; N225-R267 WeakPolarHBondContact OD1-CG 3.32Å
226	A	69.1	Low	90.3	Very high	18 Å²	18	34.4 Å²	34.4	15%	0.149	21%	0.21	C	C	.	.			trans	-67.5	123.7	-172.3	0	0	0	0	0	112	K212 E222 G228	K212-A226 PolarHBondContact NZ-O 3.01Å; E222-A226 WeakPolarHBondContact O-CA 3.47Å; E222-A226 WeakPolarHBondContact O-CB 3.42Å; E222-A226 PolarHBondContact O-N 2.84Å; A226-G228 VanDerWaalsContact C-N 3.3Å
227	N	66.2	Low	90.9	Very high	179 Å²	179	31.3 Å²	31.3	96%	0.957	19%	0.19	S	C	*	.	S	Bend	trans	-96.1	22.6	161.6	-75.7	-1.7	0	0	0	111.3	N225	N225-N227 PolarHBondContact O-N 3.48Å
228	G	79.1	Confident	91.3	Very high	47 Å²	47	30.7 Å²	30.7	49%	0.485	19%	0.185	S	C	.	.	S	Bend	trans	-170.6	-134	-171.8	0	0	0	0	0	110.7	A226	A226-G228 VanDerWaalsContact C-N 3.3Å
229	S	91.3	Very high	91.5	Very high	76 Å²	76	31 Å²	31	53%	0.531	19%	0.188	S	C	.	.			trans	-91.2	163.4	177.8	57.1	0	0	0	0	113.9	L209	L209-S229 CarbonylContact O-C 3.41Å; L209-S229 WeakPolarHBondContact O-CA 3.29Å; L209-S229 WeakPolarHBondContact O-CB 3.46Å
230	Y	94.3	Very high	91.8	Very high	17 Å²	17	30.3 Å²	30.3	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156	170.7	64	-85.1	0	0	0	110.3	S208 L209 D211 I223 G232 A235	S208-Y230 CarbonylContact C-O 3.58Å; S208-Y230 WeakPolarHBondContact CA-O 2.94Å; L209-Y230 HydrophobicContact CB-CE1 4.01Å; L209-Y230 HydrophobicContact CB-CE2 4.12Å; L209-Y230 PolarHBondContact N-O 3.01Å; L209-Y230 WeakPolarHBondContact O-CD1 3.48Å; L209-Y230 WeakPolarHBondContact O-CE1 3.46Å; L209-Y230 PolarHBondContact O-N 3.35Å; D211-Y230 WeakPolarHBondContact O-CE1 3.33Å; D211-Y230 PolarHBondContact O-OH 2.86Å; I223-Y230 HydrophobicContact CD1-CD2 4.34Å; I223-Y230 HydrophobicContact CD1-CE2 3.86Å; I223-Y230 HydrophobicContact CG1-CD1 4.12Å; I223-Y230 HydrophobicContact CG1-CD2 3.81Å; I223-Y230 HydrophobicContact CG1-CE1 4.05Å; I223-Y230 HydrophobicContact CG1-CE2 3.72Å; I223-Y230 HydrophobicContact CG1-CG 4.02Å; Y230-G232 PolarHBondContact O-N 2.95Å; Y230-A235 HydrophobicContact CD2-CB 4Å; Y230-A235 HydrophobicContact CE2-CB 3.94Å
231	S	96.3	Very high	92	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.5	172.6	160.8	0	0	0	0	110.1	D207 A234 A235	D207-S231 PolarHBondContact OD1-OG 2.83Å; D207-S231 WeakPolarHBondContact OD2-CB 3.39Å; D207-S231 PolarHBondContact OD2-OG 3.3Å; S231-A234 PolarHBondContact O-N 3.37Å; S231-A234 VanDerWaalsContact OG-CB 3.31Å; S231-A234 WeakPolarHBondContact OG-CB 3.45Å; S231-A234 PolarHBondContact OG-N 3.34Å; S231-A234 VanDerWaalsContact OG-N 3.16Å; S231-A235 PolarHBondContact O-N 3.47Å; S231-A235 VanDerWaalsContact O-N 3.11Å
232	G	96.5	Very high	92.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-40.5	178.5	0	0	0	0	0	113	V172 D207 Y230 A235 D236	V172-G232 VanDerWaalsContact CG1-C 3.5Å; D207-G232 PolarHBondContact O-N 3.4Å; D207-G232 PolarHBondContact OD2-N 3.4Å; Y230-G232 PolarHBondContact O-N 2.95Å; G232-A235 PolarHBondContact O-N 3.15Å; G232-D236 PolarHBondContact O-N 2.78Å
233	K	98.1	Very high	92.4	Very high	55 Å²	55	29 Å²	29	24%	0.239	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-40.9	178.3	-65	-178.4	176.7	-176.4	0	111.5	H167 V172 D207 A235 D236 V237	H167-K233 HydrophobicContact CB-CD 4.16Å; H167-K233 HydrophobicContact CB-CG 4.48Å; H167-K233 PolarHBondContact CE1-O 3.46Å; H167-K233 WeakPolarHBondContact O-CE 3.34Å; H167-K233 PolarHBondContact O-NZ 3.33Å; V172-K233 HydrophobicContact CG2-CG 4.06Å; D207-K233 HydrophobicContact CB-CD 4.32Å; D207-K233 HydrophobicContact CB-CG 4.06Å; D207-K233 VanDerWaalsContact OD2-CB 3.24Å; D207-K233 WeakPolarHBondContact OD2-CB 3.3Å; D207-K233 WeakPolarHBondContact OD2-CG 3.41Å; D207-K233 PolarHBondContact OD2-N 3.09Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 3.15Å; K233-D236 WeakPolarHBondContact O-CB 3.28Å; K233-D236 PolarHBondContact O-N 3.05Å; K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.38Å
234	A	98.1	Very high	92.7	Very high	12 Å²	12	28.3 Å²	28.3	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-33.5	176.7	0	0	0	0	0	112.2	S231 V237 W238 P293 R296	S231-A234 PolarHBondContact O-N 3.37Å; S231-A234 VanDerWaalsContact OG-CB 3.31Å; S231-A234 WeakPolarHBondContact OG-CB 3.45Å; S231-A234 PolarHBondContact OG-N 3.34Å; S231-A234 VanDerWaalsContact OG-N 3.16Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 PolarHBondContact O-N 3.05Å; A234-W238 PolarHBondContact O-N 3.48Å; A234-P293 HydrophobicContact CB-CB 3.74Å; A234-R296 VanDerWaalsContact C-NH1 3.34Å; A234-R296 PolarHBondContact O-NH1 2.66Å
235	A	97.3	Very high	93.1	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-39.5	174	0	0	0	0	0	112.6	I223 Y230 S231 G232 K233 V237 W238 S239	I223-A235 HydrophobicContact CD1-CB 3.96Å; Y230-A235 HydrophobicContact CD2-CB 4Å; Y230-A235 HydrophobicContact CE2-CB 3.94Å; S231-A235 PolarHBondContact O-N 3.47Å; S231-A235 VanDerWaalsContact O-N 3.11Å; G232-A235 PolarHBondContact O-N 3.15Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 3.15Å; A235-V237 VanDerWaalsContact C-N 3.33Å; A235-V237 PolarHBondContact O-N 2.85Å; A235-W238 WeakPolarHBondContact O-CB 3.43Å; A235-W238 PolarHBondContact O-N 2.89Å; A235-S239 PolarHBondContact O-N 3Å; A235-S239 VanDerWaalsContact O-N 3.09Å; A235-S239 PolarHBondContact O-OG 3.38Å
236	D	98.1	Very high	93.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-43.6	170.6	-83.2	-14.3	0	0	0	111.2	H167 L173 R174 L176 G232 K233 W238 S239 L240	H167-D236 IonicContact CD2-OD2 2.71Å; H167-D236 IonicContact CE1-OD2 3.58Å; H167-D236 WeakPolarHBondContact NE2-CB 3.47Å; H167-D236 IonicContact NE2-OD2 3.51Å; H167-D236 PolarHBondContact NE2-OD2 3.08Å; L173-D236 PolarHBondContact N-OD2 2.88Å; R174-D236 PolarHBondContact N-OD1 3.27Å; L176-D236 HydrophobicContact CD1-CB 3.68Å; L176-D236 WeakPolarHBondContact CD1-O 3.46Å; G232-D236 PolarHBondContact O-N 2.78Å; K233-D236 WeakPolarHBondContact O-CB 3.28Å; K233-D236 PolarHBondContact O-N 3.05Å; D236-W238 PolarHBondContact O-N 3.4Å; D236-S239 WeakPolarHBondContact O-CA 3.46Å; D236-S239 VanDerWaalsContact O-CB 3.3Å; D236-S239 WeakPolarHBondContact O-CB 3.31Å; D236-S239 PolarHBondContact O-N 2.99Å; D236-S239 VanDerWaalsContact O-N 3.11Å; D236-L240 PolarHBondContact O-N 2.97Å
237	V	98.8	Very high	95.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-43.8	175.4	161.2	0	0	0	0	111.4	K233 A234 A235 S239 L240 G241 I288 R296 L297 I302	K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.38Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 PolarHBondContact O-N 3.05Å; A235-V237 VanDerWaalsContact C-N 3.33Å; A235-V237 PolarHBondContact O-N 2.85Å; V237-S239 VanDerWaalsContact C-N 3.26Å; V237-S239 PolarHBondContact O-N 3.44Å; V237-L240 VanDerWaalsContact O-CB 3.31Å; V237-L240 WeakPolarHBondContact O-CB 3.35Å; V237-L240 PolarHBondContact O-N 3.22Å; V237-L240 VanDerWaalsContact O-N 3.12Å; V237-G241 PolarHBondContact O-N 3.42Å; V237-I288 HydrophobicContact CG1-CG2 3.79Å; V237-I288 WeakPolarHBondContact O-CG2 3.45Å; V237-R296 HydrophobicContact CG1-CB 3.84Å; V237-L297 WeakPolarHBondContact CG1-O 3.49Å; V237-I302 HydrophobicContact CG1-CD1 4.33Å
238	W	98.4	Very high	96.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.6	-44.5	173.5	174	-86.7	0	0	0	111.6	Y218 V219 P221 A234 A235 D236 L240 G241 V242 F254 I266 L289	Y218-W238 VanDerWaalsContact O-CD1 3.25Å; V219-W238 PolarHBondContact O-NE1 3.33Å; V219-W238 VanDerWaalsContact O-NE1 3.1Å; P221-W238 HydrophobicContact CG-CE3 4.29Å; P221-W238 HydrophobicContact CG-CH2 3.56Å; P221-W238 HydrophobicContact CG-CZ2 3.95Å; P221-W238 HydrophobicContact CG-CZ3 3.75Å; A234-W238 PolarHBondContact O-N 3.48Å; A235-W238 WeakPolarHBondContact O-CB 3.43Å; A235-W238 PolarHBondContact O-N 2.89Å; D236-W238 PolarHBondContact O-N 3.4Å; W238-L240 VanDerWaalsContact C-N 3.31Å; W238-L240 PolarHBondContact O-N 3.03Å; W238-G241 WeakPolarHBondContact O-CA 3.31Å; W238-G241 PolarHBondContact O-N 3.42Å; W238-V242 PolarHBondContact O-N 2.87Å; W238-F254 AromaticContact CH2-CE2 3.72Å; W238-F254 HydrophobicContact CH2-CE2 3.72Å; W238-F254 AromaticContact CH2-CZ 3.68Å; W238-F254 HydrophobicContact CH2-CZ 3.68Å; W238-F254 HydrophobicContact CZ2-CD2 4.05Å; W238-F254 AromaticContact CZ2-CE2 3.25Å; W238-F254 HydrophobicContact CZ2-CE2 3.25Å; W238-F254 AromaticContact CZ2-CZ 3.7Å; W238-F254 HydrophobicContact CZ2-CZ 3.7Å; W238-I266 HydrophobicContact CZ2-CG2 4.05Å; W238-L289 HydrophobicContact CD2-CD2 3.75Å; W238-L289 HydrophobicContact CE3-CD2 3.83Å; W238-L289 HydrophobicContact CG-CD2 4.24Å; W238-L289 HydrophobicContact CH2-CD2 4.43Å; W238-L289 HydrophobicContact CZ2-CD2 4.36Å; W238-L289 HydrophobicContact CZ3-CB 4.27Å; W238-L289 HydrophobicContact CZ3-CD2 4.17Å; W238-L289 WeakPolarHBondContact O-CD2 3.42Å
239	S	98.4	Very high	97.7	Very high	11 Å²	11	12.3 Å²	12.3	8%	0.077	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-38.6	176.9	-57.9	0	0	0	0	112.1	Y218 A235 D236 V237 G241 V242 M243	Y218-S239 PolarHBondContact O-OG 3.33Å; A235-S239 PolarHBondContact O-N 3Å; A235-S239 VanDerWaalsContact O-N 3.09Å; A235-S239 PolarHBondContact O-OG 3.38Å; D236-S239 WeakPolarHBondContact O-CA 3.46Å; D236-S239 VanDerWaalsContact O-CB 3.3Å; D236-S239 WeakPolarHBondContact O-CB 3.31Å; D236-S239 PolarHBondContact O-N 2.99Å; D236-S239 VanDerWaalsContact O-N 3.11Å; V237-S239 VanDerWaalsContact C-N 3.26Å; V237-S239 PolarHBondContact O-N 3.44Å; S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 3.37Å; S239-V242 WeakPolarHBondContact O-CB 3.5Å; S239-V242 PolarHBondContact O-N 3.23Å; S239-M243 VanDerWaalsContact O-CG 3.31Å; S239-M243 WeakPolarHBondContact O-CG 3.47Å; S239-M243 PolarHBondContact O-N 3.45Å
240	L	98.8	Very high	97.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.9	-40.2	170.7	-74.7	176.7	0	0	0	112.2	F156 I159 V163 L176 D236 V237 W238 M243 L244 I302	F156-L240 HydrophobicContact CE2-CB 4.32Å; F156-L240 HydrophobicContact CE2-CD2 4.12Å; F156-L240 VanDerWaalsContact CE2-O 3.31Å; F156-L240 WeakPolarHBondContact CE2-O 3.35Å; F156-L240 HydrophobicContact CZ-CB 4.08Å; F156-L240 HydrophobicContact CZ-CD2 4.39Å; I159-L240 HydrophobicContact CG2-CD2 3.57Å; V163-L240 HydrophobicContact CB-CD1 4.11Å; V163-L240 HydrophobicContact CG1-CD1 3.98Å; V163-L240 HydrophobicContact CG2-CD1 4.29Å; V163-L240 HydrophobicContact CG2-CD2 3.92Å; V163-L240 HydrophobicContact CG2-CG 4.37Å; L176-L240 HydrophobicContact CD1-CD2 4.5Å; L176-L240 HydrophobicContact CD1-CG 4.26Å; D236-L240 PolarHBondContact O-N 2.97Å; V237-L240 VanDerWaalsContact O-CB 3.31Å; V237-L240 WeakPolarHBondContact O-CB 3.35Å; V237-L240 PolarHBondContact O-N 3.22Å; V237-L240 VanDerWaalsContact O-N 3.12Å; W238-L240 VanDerWaalsContact C-N 3.31Å; W238-L240 PolarHBondContact O-N 3.03Å; L240-M243 HydrophobicContact CD2-SD 4.32Å; L240-M243 WeakPolarHBondContact O-CB 2.94Å; L240-M243 PolarHBondContact O-N 3Å; L240-L244 PolarHBondContact O-N 3.05Å; L240-I302 HydrophobicContact CD1-CD1 4.02Å
241	G	98.8	Very high	98	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-41.4	176.1	0	0	0	0	0	112.5	V237 W238 S239 M243 L244 Y245	V237-G241 PolarHBondContact O-N 3.42Å; W238-G241 WeakPolarHBondContact O-CA 3.31Å; W238-G241 PolarHBondContact O-N 3.42Å; S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 3.37Å; G241-M243 VanDerWaalsContact C-N 3.34Å; G241-L244 PolarHBondContact O-N 3.33Å; G241-Y245 WeakPolarHBondContact O-CB 3.1Å; G241-Y245 PolarHBondContact O-N 3.19Å
242	V	98.6	Very high	98	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.1	-43.3	173.5	176.1	0	0	0	0	110.7	A217 Y218 W238 S239 T246 Y252 P253 L289	A217-V242 WeakPolarHBondContact O-CG1 3.3Å; Y218-V242 HydrophobicContact CD1-CB 3.79Å; Y218-V242 HydrophobicContact CD1-CG1 3.54Å; Y218-V242 HydrophobicContact CE1-CB 4.09Å; Y218-V242 HydrophobicContact CE1-CG1 3.59Å; Y218-V242 HydrophobicContact CG-CG1 4.09Å; W238-V242 PolarHBondContact O-N 2.87Å; S239-V242 WeakPolarHBondContact O-CB 3.5Å; S239-V242 PolarHBondContact O-N 3.23Å; V242-T246 WeakPolarHBondContact O-CB 3.47Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3Å; V242-Y252 HydrophobicContact CG1-CD1 4.01Å; V242-P253 HydrophobicContact CB-CG 4.38Å; V242-P253 HydrophobicContact CG1-CG 4.23Å; V242-P253 HydrophobicContact CG2-CG 4.09Å; V242-L289 HydrophobicContact CG2-CD2 4.13Å
243	M	98.7	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-51.9	176.4	-68.8	172.5	67	0	0	111.6	F156 I159 L178 F181 Y218 S239 L240 G241 Y245 T246 I247	F156-M243 HydrophobicContact CE2-CB 4.47Å; I159-M243 HydrophobicContact CD1-CE 3.9Å; I159-M243 HydrophobicContact CG1-CE 4.46Å; I159-M243 HydrophobicContact CG2-CE 3.58Å; I159-M243 HydrophobicContact CG2-SD 4.41Å; L178-M243 HydrophobicContact CD2-CB 4Å; L178-M243 HydrophobicContact CD2-CE 3.82Å; L178-M243 HydrophobicContact CD2-CG 4.09Å; L178-M243 HydrophobicContact CG-CB 4.46Å; L178-M243 HydrophobicContact CG-CG 4.21Å; F181-M243 HydrophobicContact CD2-CE 3.34Å; F181-M243 HydrophobicContact CD2-SD 4.45Å; F181-M243 HydrophobicContact CE2-CE 3.41Å; F181-M243 VanDerWaalsContact CE2-CE 3.41Å; F181-M243 HydrophobicContact CE2-SD 4.07Å; F181-M243 HydrophobicContact CG-CE 4.24Å; F181-M243 HydrophobicContact CZ-CE 4.35Å; Y218-M243 HydrophobicContact CD1-CG 4.34Å; Y218-M243 HydrophobicContact CE1-CG 3.61Å; S239-M243 VanDerWaalsContact O-CG 3.31Å; S239-M243 WeakPolarHBondContact O-CG 3.47Å; S239-M243 PolarHBondContact O-N 3.45Å; L240-M243 HydrophobicContact CD2-SD 4.32Å; L240-M243 WeakPolarHBondContact O-CB 2.94Å; L240-M243 PolarHBondContact O-N 3Å; G241-M243 VanDerWaalsContact C-N 3.34Å; M243-Y245 PolarHBondContact O-N 2.88Å; M243-T246 PolarHBondContact O-N 3.12Å; M243-T246 VanDerWaalsContact O-N 3.12Å; M243-I247 VanDerWaalsContact O-CG1 3.26Å; M243-I247 WeakPolarHBondContact O-CG1 3.48Å; M243-I247 PolarHBondContact O-N 3.06Å
244	L	98.8	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.7	-48.7	179.4	176.6	58.2	0	0	0	111.6	F156 L240 G241 T246 I247 L248 L284 I285 I288 W307	F156-L244 HydrophobicContact CB-CD1 4.36Å; F156-L244 HydrophobicContact CD1-CB 4.45Å; F156-L244 HydrophobicContact CD1-CD1 3.88Å; F156-L244 HydrophobicContact CD1-CD2 4.34Å; F156-L244 HydrophobicContact CD1-CG 4.45Å; F156-L244 HydrophobicContact CD2-CB 4.03Å; F156-L244 HydrophobicContact CD2-CD1 4.29Å; F156-L244 HydrophobicContact CE1-CB 4.12Å; F156-L244 HydrophobicContact CE1-CD1 4.25Å; F156-L244 HydrophobicContact CE1-CD2 3.94Å; F156-L244 HydrophobicContact CE1-CG 4.32Å; F156-L244 HydrophobicContact CE2-CB 3.66Å; F156-L244 HydrophobicContact CG-CB 4.42Å; F156-L244 HydrophobicContact CG-CD1 3.91Å; F156-L244 HydrophobicContact CZ-CB 3.71Å; F156-L244 HydrophobicContact CZ-CD2 4.26Å; F156-L244 HydrophobicContact CZ-CG 4.4Å; L240-L244 PolarHBondContact O-N 3.05Å; G241-L244 PolarHBondContact O-N 3.33Å; L244-T246 VanDerWaalsContact C-N 3.31Å; L244-T246 PolarHBondContact O-N 3.32Å; L244-I247 PolarHBondContact O-N 3Å; L244-L248 HydrophobicContact CD1-CD1 3.64Å; L244-L248 HydrophobicContact CD1-CG 4.14Å; L244-L248 HydrophobicContact CG-CD1 4.05Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.08Å; L244-L284 HydrophobicContact CD2-CB 4.36Å; L244-L284 HydrophobicContact CD2-CD2 3.69Å; L244-L284 HydrophobicContact CD2-CG 3.75Å; L244-I285 HydrophobicContact CD2-CG1 3.73Å; L244-I285 HydrophobicContact CG-CG1 3.96Å; L244-I288 HydrophobicContact CD2-CD1 4.24Å; L244-W307 HydrophobicContact CD1-CH2 3.4Å; L244-W307 VanDerWaalsContact CD1-CH2 3.4Å; L244-W307 HydrophobicContact CD1-CZ2 4.24Å; L244-W307 HydrophobicContact CD1-CZ3 3.62Å
245	Y	98.8	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-46.9	176.6	-176	-78.5	0	0	0	111	G241 M243 I247 L248 V249 R251 P253 F271 N272 I273 I285	G241-Y245 WeakPolarHBondContact O-CB 3.1Å; G241-Y245 PolarHBondContact O-N 3.19Å; M243-Y245 PolarHBondContact O-N 2.88Å; Y245-I247 VanDerWaalsContact C-N 3.35Å; Y245-I247 PolarHBondContact O-N 3.42Å; Y245-L248 PolarHBondContact O-N 3.23Å; Y245-V249 HydrophobicContact CD1-CB 3.98Å; Y245-V249 HydrophobicContact CD1-CG2 4.03Å; Y245-V249 HydrophobicContact CD2-CG2 4.15Å; Y245-V249 HydrophobicContact CE1-CB 3.65Å; Y245-V249 HydrophobicContact CE1-CG1 3.76Å; Y245-V249 HydrophobicContact CE1-CG2 3.83Å; Y245-V249 HydrophobicContact CE2-CG2 3.96Å; Y245-V249 HydrophobicContact CG-CG2 4.19Å; Y245-V249 VanDerWaalsContact O-CB 3.24Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.34Å; Y245-V249 PolarHBondContact O-N 3.36Å; Y245-R251 WeakPolarHBondContact CD1-O 3.37Å; Y245-R251 WeakPolarHBondContact CE1-O 3.37Å; Y245-R251 VanDerWaalsContact OH-CZ 3.23Å; Y245-R251 PolarHBondContact OH-NH1 2.66Å; Y245-R251 PolarHBondContact OH-NH2 3Å; Y245-P253 HydrophobicContact CD1-CB 3.76Å; Y245-P253 HydrophobicContact CD1-CG 4.12Å; Y245-P253 HydrophobicContact CD2-CB 3.98Å; Y245-P253 VanDerWaalsContact CE1-CA 3.47Å; Y245-P253 HydrophobicContact CE1-CB 3.99Å; Y245-P253 HydrophobicContact CE2-CB 4.19Å; Y245-P253 HydrophobicContact CG-CB 3.76Å; Y245-P253 HydrophobicContact CG-CG 4.14Å; Y245-F271 HydrophobicContact CD2-CD2 4.03Å; Y245-F271 HydrophobicContact CD2-CE2 4.15Å; Y245-F271 AromaticContact CE2-CD2 3.77Å; Y245-F271 HydrophobicContact CE2-CD2 3.77Å; Y245-F271 HydrophobicContact CE2-CE2 4.24Å; Y245-N272 WeakPolarHBondContact CE2-O 3.49Å; Y245-N272 PolarHBondContact OH-O 2.67Å; Y245-I273 HydrophobicContact CE2-CG1 4.27Å; Y245-I285 HydrophobicContact CD2-CD1 4.46Å; Y245-I285 HydrophobicContact CD2-CG2 4.12Å
246	T	98.5	Very high	97.3	Very high	9 Å²	9	20.3 Å²	20.3	6%	0.055	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-39.1	-177.1	-55.7	0	0	0	0	111.7	L178 V242 M243 L244 G250 Y252	L178-T246 HydrophobicContact CD1-CG2 3.79Å; V242-T246 WeakPolarHBondContact O-CB 3.47Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3Å; M243-T246 PolarHBondContact O-N 3.12Å; M243-T246 VanDerWaalsContact O-N 3.12Å; L244-T246 VanDerWaalsContact C-N 3.31Å; L244-T246 PolarHBondContact O-N 3.32Å; T246-G250 VanDerWaalsContact O-CA 3.25Å; T246-G250 WeakPolarHBondContact O-CA 3.1Å; T246-G250 PolarHBondContact O-N 3.26Å; T246-Y252 HydrophobicContact CG2-CD1 4.23Å; T246-Y252 HydrophobicContact CG2-CE1 4.13Å; T246-Y252 WeakPolarHBondContact OG1-CD1 3.01Å
247	I	98.6	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-47	174.9	-69.9	164	0	0	0	110.7	M137 V141 L147 A152 F156 I159 L178 M243 L244 Y245	M137-I247 HydrophobicContact CE-CD1 4.04Å; M137-I247 HydrophobicContact CE-CG1 4.36Å; V141-I247 HydrophobicContact CG2-CG1 4.01Å; L147-I247 HydrophobicContact CB-CG2 3.9Å; L147-I247 HydrophobicContact CD1-CG2 3.73Å; L147-I247 HydrophobicContact CG-CG2 3.91Å; L147-I247 PolarHBondContact N-O 3.26Å; A152-I247 HydrophobicContact CB-CG2 3.56Å; F156-I247 HydrophobicContact CD2-CD1 4.31Å; I159-I247 HydrophobicContact CD1-CD1 4.35Å; L178-I247 HydrophobicContact CD2-CD1 3.78Å; L178-I247 HydrophobicContact CD2-CG1 3.75Å; M243-I247 VanDerWaalsContact O-CG1 3.26Å; M243-I247 WeakPolarHBondContact O-CG1 3.48Å; M243-I247 PolarHBondContact O-N 3.06Å; L244-I247 PolarHBondContact O-N 3Å; Y245-I247 VanDerWaalsContact C-N 3.35Å; Y245-I247 PolarHBondContact O-N 3.42Å
248	L	98.5	Very high	96.6	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-79	-32.7	-174.4	-72.2	174.8	0	0	0	114.1	E149 A152 L244 Y245 L277 A281 I285 W307	E149-L248 HydrophobicContact CB-CD2 4.45Å; E149-L248 HydrophobicContact CG-CD2 3.78Å; A152-L248 HydrophobicContact CB-CD2 3.46Å; A152-L248 VanDerWaalsContact CB-CD2 3.46Å; A152-L248 HydrophobicContact CB-CG 4.22Å; L244-L248 HydrophobicContact CD1-CD1 3.64Å; L244-L248 HydrophobicContact CD1-CG 4.14Å; L244-L248 HydrophobicContact CG-CD1 4.05Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.08Å; Y245-L248 PolarHBondContact O-N 3.23Å; L248-L277 HydrophobicContact CB-CD1 4.19Å; L248-L277 HydrophobicContact CB-CD2 4.21Å; L248-L277 HydrophobicContact CD1-CD1 4.28Å; L248-A281 HydrophobicContact CD1-CB 4.29Å; L248-I285 HydrophobicContact CD1-CD1 4.05Å; L248-W307 HydrophobicContact CD1-CH2 4.4Å; L248-W307 HydrophobicContact CD1-CZ2 4.06Å; L248-W307 HydrophobicContact CD2-CZ2 4.21Å
249	V	98.1	Very high	96.2	Very high	23 Å²	23	36.4 Å²	36.4	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-106.7	-24.4	-170.5	-174.3	0	0	0	0	112.1	Y245 R251 P274 L277	Y245-V249 HydrophobicContact CD1-CB 3.98Å; Y245-V249 HydrophobicContact CD1-CG2 4.03Å; Y245-V249 HydrophobicContact CD2-CG2 4.15Å; Y245-V249 HydrophobicContact CE1-CB 3.65Å; Y245-V249 HydrophobicContact CE1-CG1 3.76Å; Y245-V249 HydrophobicContact CE1-CG2 3.83Å; Y245-V249 HydrophobicContact CE2-CG2 3.96Å; Y245-V249 HydrophobicContact CG-CG2 4.19Å; Y245-V249 VanDerWaalsContact O-CB 3.24Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.34Å; Y245-V249 PolarHBondContact O-N 3.36Å; V249-R251 VanDerWaalsContact C-N 3.34Å; V249-R251 HydrophobicContact CG1-CG 3.86Å; V249-P274 HydrophobicContact CG1-CG 3.8Å; V249-P274 HydrophobicContact CG2-CG 4.03Å; V249-L277 HydrophobicContact CG2-CD1 4.15Å
250	G	96.3	Very high	95.8	Very high	35 Å²	35	37.7 Å²	37.7	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	84.2	6.4	178.8	0	0	0	0	0	115.9	K145 T246	K145-G250 WeakPolarHBondContact O-CA 3.43Å; T246-G250 VanDerWaalsContact O-CA 3.25Å; T246-G250 WeakPolarHBondContact O-CA 3.1Å; T246-G250 PolarHBondContact O-N 3.26Å
251	R	95.4	Very high	95.5	Very high	101 Å²	101	39.7 Å²	39.7	38%	0.381	22%	0.224	S	C	.	.	S	Bend	trans	-148.5	160.3	177	53.9	171.8	-176.9	73.8	4.6	109.2	Y245 V249	Y245-R251 WeakPolarHBondContact CD1-O 3.37Å; Y245-R251 WeakPolarHBondContact CE1-O 3.37Å; Y245-R251 VanDerWaalsContact OH-CZ 3.23Å; Y245-R251 PolarHBondContact OH-NH1 2.66Å; Y245-R251 PolarHBondContact OH-NH2 3Å; V249-R251 VanDerWaalsContact C-N 3.34Å; V249-R251 HydrophobicContact CG1-CG 3.86Å
252	Y	96.8	Very high	95.3	Very high	59 Å²	59	40.4 Å²	40.4	23%	0.231	23%	0.228	C	C	.	.			trans	-66.1	146.5	176.5	-63.2	-63.7	0	0	0	111.9	H138 A217 Y218 V242 T246 F254	H138-Y252 PolarHBondContact NE2-OH 3.47Å; A217-Y252 HydrophobicContact CB-CD1 4.04Å; A217-Y252 HydrophobicContact CB-CD2 4.17Å; A217-Y252 HydrophobicContact CB-CE1 4.09Å; A217-Y252 HydrophobicContact CB-CE2 4.22Å; A217-Y252 HydrophobicContact CB-CG 4.08Å; Y218-Y252 AromaticContact CE2-CE1 3.7Å; Y218-Y252 HydrophobicContact CE2-CE1 3.7Å; Y218-Y252 AromaticContact CZ-CE1 3.75Å; V242-Y252 HydrophobicContact CG1-CD1 4.01Å; T246-Y252 HydrophobicContact CG2-CD1 4.23Å; T246-Y252 HydrophobicContact CG2-CE1 4.13Å; T246-Y252 WeakPolarHBondContact OG1-CD1 3.01Å; Y252-F254 VanDerWaalsContact CB-O 3.25Å; Y252-F254 WeakPolarHBondContact CB-O 2.83Å; Y252-F254 PolarHBondContact O-N 3.29Å
253	P	97.2	Very high	95	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.052	24%	0.24	C	C	.	.	S	Bend	trans	-63.1	-35.2	174.2	24.2	-30.6	0	0	0	111.3	V242 Y245 F271 L289	V242-P253 HydrophobicContact CB-CG 4.38Å; V242-P253 HydrophobicContact CG1-CG 4.23Å; V242-P253 HydrophobicContact CG2-CG 4.09Å; Y245-P253 HydrophobicContact CD1-CB 3.76Å; Y245-P253 HydrophobicContact CD1-CG 4.12Å; Y245-P253 HydrophobicContact CD2-CB 3.98Å; Y245-P253 VanDerWaalsContact CE1-CA 3.47Å; Y245-P253 HydrophobicContact CE1-CB 3.99Å; Y245-P253 HydrophobicContact CE2-CB 4.19Å; Y245-P253 HydrophobicContact CG-CB 3.76Å; Y245-P253 HydrophobicContact CG-CG 4.14Å; P253-F271 HydrophobicContact CB-CB 4.02Å; P253-F271 HydrophobicContact CB-CD2 4.11Å; P253-F271 HydrophobicContact CB-CG 4.11Å; P253-F271 WeakPolarHBondContact O-CB 3.12Å; P253-L289 HydrophobicContact CB-CD1 4.33Å; P253-L289 HydrophobicContact CG-CD1 4.3Å
254	F	95.9	Very high	94.8	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	25%	0.251	C	S	.	.	S	Bend	trans	-117.8	125	174.1	-45.5	-77.4	0	0	0	108.7	W238 Y252 L262 K265 I266 F271	W238-F254 AromaticContact CH2-CE2 3.72Å; W238-F254 HydrophobicContact CH2-CE2 3.72Å; W238-F254 AromaticContact CH2-CZ 3.68Å; W238-F254 HydrophobicContact CH2-CZ 3.68Å; W238-F254 HydrophobicContact CZ2-CD2 4.05Å; W238-F254 AromaticContact CZ2-CE2 3.25Å; W238-F254 HydrophobicContact CZ2-CE2 3.25Å; W238-F254 AromaticContact CZ2-CZ 3.7Å; W238-F254 HydrophobicContact CZ2-CZ 3.7Å; Y252-F254 VanDerWaalsContact CB-O 3.25Å; Y252-F254 WeakPolarHBondContact CB-O 2.83Å; Y252-F254 PolarHBondContact O-N 3.29Å; F254-L262 HydrophobicContact CB-CD1 3.84Å; F254-K265 HydrophobicContact CD1-CB 4.32Å; F254-I266 HydrophobicContact CB-CD1 4.48Å; F254-I266 HydrophobicContact CB-CG1 3.73Å; F254-I266 HydrophobicContact CD1-CG1 4.35Å; F254-I266 HydrophobicContact CD2-CG1 4.01Å; F254-I266 HydrophobicContact CG-CG1 3.75Å; F254-F271 HydrophobicContact CD1-CB 4.38Å; F254-F271 HydrophobicContact CE1-CB 3.88Å; F254-F271 AromaticContact CE1-CD1 3.99Å; F254-F271 HydrophobicContact CE1-CD1 3.99Å; F254-F271 HydrophobicContact CE1-CG 4.34Å; F254-F271 HydrophobicContact CZ-CB 4.2Å; F254-F271 AromaticContact CZ-CD1 3.66Å; F254-F271 HydrophobicContact CZ-CD1 3.66Å; F254-F271 HydrophobicContact CZ-CE1 4.44Å; F254-F271 HydrophobicContact CZ-CG 4.21Å
255	H	91.2	Very high	94.5	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.495	27%	0.267	S	S	.	.			trans	-148.4	143	174.5	65	-78.4	0	0	0	109.3	K265	H255-K265 PolarHBondContact O-NZ 3.35Å
256	D	91.1	Very high	94.4	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	27%	0.267	S	S	.	.			trans	-159.1	157.4	169.6	-150.6	-69.9	0	0	0	108.5	E258 S261 L262 K265	D256-E258 PolarHBondContact OD1-N 3.12Å; D256-S261 VanDerWaalsContact CG-CB 3.44Å; D256-S261 WeakPolarHBondContact OD2-CB 3.33Å; D256-L262 HydrophobicContact CB-CB 3.89Å; D256-K265 WeakPolarHBondContact OD2-CE 3.24Å; D256-K265 IonicContact OD2-NZ 3.82Å; D256-K265 PolarHBondContact OD2-NZ 2.98Å
257	V	89.6	Confident	94.1	Very high	148 Å²	148	52 Å²	52	90%	0.897	28%	0.28	S	S	*	.	S	Bend	trans	-76.3	-36.9	173.3	180	0	0	0	0	109.6
258	E	92.3	Very high	93.9	Very high	115 Å²	115	59.6 Å²	59.6	54%	0.537	31%	0.308	S	S	.	.	S	Bend	trans	-89.5	123.6	179.9	-171.1	-165.6	-172.6	0	0	110.6	D256 G260 S261 L262	D256-E258 PolarHBondContact OD1-N 3.12Å; E258-G260 VanDerWaalsContact C-N 3.28Å; E258-G260 PolarHBondContact O-N 2.94Å; E258-S261 PolarHBondContact O-N 3.4Å; E258-S261 VanDerWaalsContact O-N 3.13Å; E258-S261 PolarHBondContact OE2-OG 3.44Å; E258-L262 PolarHBondContact O-N 3.1Å
259	P	89.3	Confident	93.5	Very high	80 Å²	80	60.1 Å²	60.1	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-55.9	-38.9	179.4	-27.5	35.3	0	0	0	113.8	S261 L262 F263	P259-S261 PolarHBondContact O-N 3.34Å; P259-L262 PolarHBondContact O-N 3.41Å; P259-F263 HydrophobicContact CB-CE2 4.1Å; P259-F263 HydrophobicContact CB-CZ 4.39Å; P259-F263 WeakPolarHBondContact O-CB 3.17Å; P259-F263 WeakPolarHBondContact O-CD2 3.32Å; P259-F263 WeakPolarHBondContact O-CG 3.21Å; P259-F263 PolarHBondContact O-N 2.77Å
260	G	91.4	Very high	93.2	Very high	38 Å²	38	66.1 Å²	66.1	39%	0.392	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-43.5	177.9	0	0	0	0	0	112.7	E258 F263 S264	E258-G260 VanDerWaalsContact C-N 3.28Å; E258-G260 PolarHBondContact O-N 2.94Å; G260-F263 PolarHBondContact O-N 3.33Å; G260-S264 WeakPolarHBondContact O-CB 3.38Å; G260-S264 PolarHBondContact O-N 2.94Å
261	S	92.9	Very high	93.1	Very high	41 Å²	41	66.2 Å²	66.2	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-39.8	176.9	-70.8	0	0	0	0	112.1	D256 E258 P259 S264 K265	D256-S261 VanDerWaalsContact CG-CB 3.44Å; D256-S261 WeakPolarHBondContact OD2-CB 3.33Å; E258-S261 PolarHBondContact O-N 3.4Å; E258-S261 VanDerWaalsContact O-N 3.13Å; E258-S261 PolarHBondContact OE2-OG 3.44Å; P259-S261 PolarHBondContact O-N 3.34Å; S261-S264 WeakPolarHBondContact O-CB 3.25Å; S261-S264 PolarHBondContact O-N 3.15Å; S261-K265 WeakPolarHBondContact O-CG 3.49Å; S261-K265 PolarHBondContact O-N 3.11Å
262	L	92.8	Very high	93.1	Very high	16 Å²	16	67.8 Å²	67.8	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-51.9	171.6	174.5	60	0	0	0	111.5	P216 F254 D256 E258 P259 S264 K265 I266	P216-L262 HydrophobicContact CB-CD2 4.09Å; F254-L262 HydrophobicContact CB-CD1 3.84Å; D256-L262 HydrophobicContact CB-CB 3.89Å; E258-L262 PolarHBondContact O-N 3.1Å; P259-L262 PolarHBondContact O-N 3.41Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 2.97Å; L262-K265 WeakPolarHBondContact O-CB 3.37Å; L262-K265 PolarHBondContact O-N 3.49Å; L262-K265 VanDerWaalsContact O-N 3.11Å; L262-I266 HydrophobicContact CD1-CD1 3.98Å; L262-I266 HydrophobicContact CD1-CG1 4.28Å; L262-I266 HydrophobicContact CG-CD1 3.96Å; L262-I266 WeakPolarHBondContact O-CG1 3.27Å; L262-I266 PolarHBondContact O-N 3.11Å
263	F	93.4	Very high	93.1	Very high	56 Å²	56	66 Å²	66	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-33.8	-179.8	-61.9	-26	0	0	0	112.3	P216 V219 L224 P259 G260 I266 R267	P216-F263 HydrophobicContact CB-CE1 4.08Å; P216-F263 HydrophobicContact CB-CZ 4.44Å; V219-F263 HydrophobicContact CG1-CD1 4.4Å; V219-F263 HydrophobicContact CG1-CE1 4.23Å; L224-F263 HydrophobicContact CD1-CB 3.94Å; L224-F263 HydrophobicContact CD1-CD1 4.02Å; L224-F263 HydrophobicContact CD1-CG 4.21Å; L224-F263 HydrophobicContact CD2-CD1 3.94Å; L224-F263 HydrophobicContact CD2-CE1 4.26Å; L224-F263 HydrophobicContact CD2-CG 4.12Å; P259-F263 HydrophobicContact CB-CE2 4.1Å; P259-F263 HydrophobicContact CB-CZ 4.39Å; P259-F263 WeakPolarHBondContact O-CB 3.17Å; P259-F263 WeakPolarHBondContact O-CD2 3.32Å; P259-F263 WeakPolarHBondContact O-CG 3.21Å; P259-F263 PolarHBondContact O-N 2.77Å; G260-F263 PolarHBondContact O-N 3.33Å; F263-I266 HydrophobicContact CD1-CD1 4.35Å; F263-I266 PolarHBondContact O-N 3.29Å; F263-R267 WeakPolarHBondContact O-CB 3.4Å; F263-R267 WeakPolarHBondContact O-CG 3.34Å; F263-R267 PolarHBondContact O-N 3.16Å; F263-R267 PolarHBondContact O-NE 3.45Å
264	S	93.7	Very high	93.1	Very high	33 Å²	33	67.4 Å²	67.4	23%	0.231	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-44.2	171.9	-170.1	0	0	0	0	112.1	G260 S261 L262 R267 R268	G260-S264 WeakPolarHBondContact O-CB 3.38Å; G260-S264 PolarHBondContact O-N 2.94Å; S261-S264 WeakPolarHBondContact O-CB 3.25Å; S261-S264 PolarHBondContact O-N 3.15Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 2.97Å; S264-R267 PolarHBondContact O-N 3.41Å; S264-R268 VanDerWaalsContact O-CG 3.29Å; S264-R268 WeakPolarHBondContact O-CG 3.34Å; S264-R268 PolarHBondContact O-N 3.41Å; S264-R268 VanDerWaalsContact O-N 3.09Å
265	K	93.8	Very high	93.1	Very high	76 Å²	76	75.8 Å²	75.8	33%	0.33	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.4	-72.2	168.4	171.5	170.2	0	112	F254 H255 D256 S261 L262 R268 G269	F254-K265 HydrophobicContact CD1-CB 4.32Å; H255-K265 PolarHBondContact O-NZ 3.35Å; D256-K265 WeakPolarHBondContact OD2-CE 3.24Å; D256-K265 IonicContact OD2-NZ 3.82Å; D256-K265 PolarHBondContact OD2-NZ 2.98Å; S261-K265 WeakPolarHBondContact O-CG 3.49Å; S261-K265 PolarHBondContact O-N 3.11Å; L262-K265 WeakPolarHBondContact O-CB 3.37Å; L262-K265 PolarHBondContact O-N 3.49Å; L262-K265 VanDerWaalsContact O-N 3.11Å; K265-R268 PolarHBondContact O-N 2.59Å; K265-G269 PolarHBondContact O-N 2.87Å
266	I	94.9	Very high	93.3	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-50.8	177.4	-67.6	170.9	0	0	0	110.4	P216 V219 P221 L224 W238 F254 L262 F263 R268 G269	P216-I266 WeakPolarHBondContact O-CD1 3.3Å; V219-I266 HydrophobicContact CG1-CD1 3.76Å; V219-I266 WeakPolarHBondContact O-CG2 3.18Å; P221-I266 HydrophobicContact CG-CG2 4.12Å; L224-I266 HydrophobicContact CD1-CB 3.9Å; L224-I266 HydrophobicContact CD1-CD1 4.49Å; L224-I266 HydrophobicContact CD1-CG2 3.62Å; W238-I266 HydrophobicContact CZ2-CG2 4.05Å; F254-I266 HydrophobicContact CB-CD1 4.48Å; F254-I266 HydrophobicContact CB-CG1 3.73Å; F254-I266 HydrophobicContact CD1-CG1 4.35Å; F254-I266 HydrophobicContact CD2-CG1 4.01Å; F254-I266 HydrophobicContact CG-CG1 3.75Å; L262-I266 HydrophobicContact CD1-CD1 3.98Å; L262-I266 HydrophobicContact CD1-CG1 4.28Å; L262-I266 HydrophobicContact CG-CD1 3.96Å; L262-I266 WeakPolarHBondContact O-CG1 3.27Å; L262-I266 PolarHBondContact O-N 3.11Å; F263-I266 HydrophobicContact CD1-CD1 4.35Å; F263-I266 PolarHBondContact O-N 3.29Å; I266-R268 PolarHBondContact O-N 2.82Å; I266-G269 WeakPolarHBondContact O-CA 3.43Å; I266-G269 PolarHBondContact O-N 2.67Å
267	R	93.9	Very high	93.7	Very high	88 Å²	88	73.8 Å²	73.8	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-57.4	-36	177.8	-77.4	-175.9	-76.8	-104.9	-0.2	113.3	L224 N225 F263 S264 G269 R291	L224-R267 HydrophobicContact CB-CG 4.21Å; L224-R267 HydrophobicContact CD1-CG 4.19Å; N225-R267 WeakPolarHBondContact OD1-CD 3.41Å; N225-R267 WeakPolarHBondContact OD1-CG 3.32Å; F263-R267 WeakPolarHBondContact O-CB 3.4Å; F263-R267 WeakPolarHBondContact O-CG 3.34Å; F263-R267 PolarHBondContact O-N 3.16Å; F263-R267 PolarHBondContact O-NE 3.45Å; S264-R267 PolarHBondContact O-N 3.41Å; R267-G269 VanDerWaalsContact C-N 3.33Å; R267-R291 WeakPolarHBondContact O-CD 3.49Å
268	R	93.5	Very high	94	Very high	158 Å²	158	69.5 Å²	69.5	60%	0.596	36%	0.362	S	S	*	.	H	α-helix	trans	-73.3	-24.8	175.8	-71.2	173.7	-172.5	170.1	2.7	112.4	S264 K265 I266 H270	S264-R268 VanDerWaalsContact O-CG 3.29Å; S264-R268 WeakPolarHBondContact O-CG 3.34Å; S264-R268 PolarHBondContact O-N 3.41Å; S264-R268 VanDerWaalsContact O-N 3.09Å; K265-R268 PolarHBondContact O-N 2.59Å; I266-R268 PolarHBondContact O-N 2.82Å; R268-H270 PolarHBondContact O-CE1 3.26Å; R268-H270 PolarHBondContact O-N 3.2Å; R268-H270 PolarHBondContact O-ND1 3.02Å
269	G	90.9	Very high	94.3	Very high	16 Å²	16	69 Å²	69	17%	0.165	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	17.5	-178.2	0	0	0	0	0	114.3	K265 I266 R267 F271	K265-G269 PolarHBondContact O-N 2.87Å; I266-G269 WeakPolarHBondContact O-CA 3.43Å; I266-G269 PolarHBondContact O-N 2.67Å; R267-G269 VanDerWaalsContact C-N 3.33Å; G269-F271 WeakPolarHBondContact O-CD1 3.45Å
270	H	90.1	Very high	94.7	Very high	149 Å²	149	69.7 Å²	69.7	69%	0.69	36%	0.363	S	S	*	.			trans	-92.4	118.3	-178.8	-72.4	73.4	0	0	0	110.4	R268	R268-H270 PolarHBondContact O-CE1 3.26Å; R268-H270 PolarHBondContact O-N 3.2Å; R268-H270 PolarHBondContact O-ND1 3.02Å
271	F	94.9	Very high	95	Very high	36 Å²	36	67.9 Å²	67.9	16%	0.158	35%	0.345	C	S	.	.			trans	-144.7	151.3	175.5	64.6	-81.6	0	0	0	110.3	Y245 P253 F254 G269 I273 I285 L289	Y245-F271 HydrophobicContact CD2-CD2 4.03Å; Y245-F271 HydrophobicContact CD2-CE2 4.15Å; Y245-F271 AromaticContact CE2-CD2 3.77Å; Y245-F271 HydrophobicContact CE2-CD2 3.77Å; Y245-F271 HydrophobicContact CE2-CE2 4.24Å; P253-F271 HydrophobicContact CB-CB 4.02Å; P253-F271 HydrophobicContact CB-CD2 4.11Å; P253-F271 HydrophobicContact CB-CG 4.11Å; P253-F271 WeakPolarHBondContact O-CB 3.12Å; F254-F271 HydrophobicContact CD1-CB 4.38Å; F254-F271 HydrophobicContact CE1-CB 3.88Å; F254-F271 AromaticContact CE1-CD1 3.99Å; F254-F271 HydrophobicContact CE1-CD1 3.99Å; F254-F271 HydrophobicContact CE1-CG 4.34Å; F254-F271 HydrophobicContact CZ-CB 4.2Å; F254-F271 AromaticContact CZ-CD1 3.66Å; F254-F271 HydrophobicContact CZ-CD1 3.66Å; F254-F271 HydrophobicContact CZ-CE1 4.44Å; F254-F271 HydrophobicContact CZ-CG 4.21Å; G269-F271 WeakPolarHBondContact O-CD1 3.45Å; F271-I273 HydrophobicContact CD2-CG1 3.89Å; F271-I273 HydrophobicContact CE2-CD1 3.67Å; F271-I273 HydrophobicContact CE2-CG1 3.45Å; F271-I273 VanDerWaalsContact CE2-CG1 3.45Å; F271-I273 HydrophobicContact CZ-CD1 4.28Å; F271-I273 HydrophobicContact CZ-CG1 4.45Å; F271-I285 HydrophobicContact CE2-CG2 3.56Å; F271-I285 HydrophobicContact CZ-CG2 3.88Å; F271-L289 HydrophobicContact CD1-CD1 4.5Å; F271-L289 HydrophobicContact CD2-CD1 4.49Å; F271-L289 HydrophobicContact CE1-CB 3.73Å; F271-L289 HydrophobicContact CE1-CD1 3.95Å; F271-L289 HydrophobicContact CE2-CD1 3.93Å; F271-L289 HydrophobicContact CZ-CB 3.78Å; F271-L289 HydrophobicContact CZ-CD1 3.64Å; F271-L289 HydrophobicContact CZ-CG 4.34Å
272	N	95.9	Very high	95.3	Very high	134 Å²	134	67.9 Å²	67.9	72%	0.717	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-98.1	123.5	-178	-68.7	-24.4	0	0	0	110.5	Y245	Y245-N272 WeakPolarHBondContact CE2-O 3.49Å; Y245-N272 PolarHBondContact OH-O 2.67Å
273	I	97.2	Very high	95.6	Very high	22 Å²	22	70 Å²	70	11%	0.113	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-95.1	124.9	172	-51.3	176.8	0	0	0	108.6	Y245 F271 L277 K282 I285 R286	Y245-I273 HydrophobicContact CE2-CG1 4.27Å; F271-I273 HydrophobicContact CD2-CG1 3.89Å; F271-I273 HydrophobicContact CE2-CD1 3.67Å; F271-I273 HydrophobicContact CE2-CG1 3.45Å; F271-I273 VanDerWaalsContact CE2-CG1 3.45Å; F271-I273 HydrophobicContact CZ-CD1 4.28Å; F271-I273 HydrophobicContact CZ-CG1 4.45Å; I273-L277 HydrophobicContact CG2-CD1 3.67Å; I273-L277 HydrophobicContact CG2-CG 4.47Å; I273-K282 HydrophobicContact CB-CG 4.49Å; I273-K282 HydrophobicContact CG2-CG 3.75Å; I273-I285 HydrophobicContact CD1-CB 4.06Å; I273-I285 HydrophobicContact CD1-CG2 3.73Å; I273-I285 HydrophobicContact CG1-CG2 4.32Å; I273-I285 HydrophobicContact CG2-CD1 4.36Å; I273-R286 HydrophobicContact CD1-CG 3.77Å
274	P	96.4	Very high	95.8	Very high	37 Å²	37	67.3 Å²	67.3	24%	0.24	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-56.2	142.4	178.5	-25.3	34.3	0	0	0	112.9	V249 T276 L277 K282	V249-P274 HydrophobicContact CG1-CG 3.8Å; V249-P274 HydrophobicContact CG2-CG 4.03Å; P274-T276 PolarHBondContact O-N 2.97Å; P274-L277 PolarHBondContact O-N 3.31Å; P274-K282 WeakPolarHBondContact O-CE 3.14Å
275	E	96.4	Very high	96.1	Very high	179 Å²	179	65.7 Å²	65.7	84%	0.836	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.7	177.8	-68.1	-174.9	172.5	0	0	113	L277 K282	E275-L277 PolarHBondContact O-N 2.84Å; E275-K282 PolarHBondContact O-NZ 3.47Å
276	T	95.9	Very high	96.3	Very high	114 Å²	114	68.6 Å²	68.6	70%	0.699	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.2	178.9	59.3	0	0	0	0	114.5	P274	P274-T276 PolarHBondContact O-N 2.97Å
277	L	97.5	Very high	96.5	Very high	14 Å²	14	70.1 Å²	70.1	7%	0.073	35%	0.352	C	S	.	.	S	Bend	trans	-79.5	149.2	177.8	-62.5	-173.7	0	0	0	111.8	E149 L248 V249 I273 P274 E275 A281 K282 I285	E149-L277 HydrophobicContact CG-CD2 4.42Å; E149-L277 WeakPolarHBondContact OE1-CA 3.34Å; L248-L277 HydrophobicContact CB-CD1 4.19Å; L248-L277 HydrophobicContact CB-CD2 4.21Å; L248-L277 HydrophobicContact CD1-CD1 4.28Å; V249-L277 HydrophobicContact CG2-CD1 4.15Å; I273-L277 HydrophobicContact CG2-CD1 3.67Å; I273-L277 HydrophobicContact CG2-CG 4.47Å; P274-L277 PolarHBondContact O-N 3.31Å; E275-L277 PolarHBondContact O-N 2.84Å; L277-A281 HydrophobicContact CB-CB 4.3Å; L277-K282 HydrophobicContact CB-CG 4.1Å; L277-K282 WeakPolarHBondContact O-CE 3.44Å; L277-K282 PolarHBondContact O-NZ 3.02Å; L277-I285 HydrophobicContact CD1-CD1 4Å
278	T	97.6	Very high	96.7	Very high	58 Å²	58	66 Å²	66	36%	0.356	34%	0.336	S	S	.	.			trans	-62.2	153.7	177.2	66.2	0	0	0	0	111.5	E149 K280 A281 K282	E149-T278 WeakPolarHBondContact OE1-CG2 3.48Å; E149-T278 PolarHBondContact OE1-N 2.84Å; E149-T278 PolarHBondContact OE1-OG1 3.19Å; E149-T278 WeakPolarHBondContact OE2-CB 3.45Å; E149-T278 VanDerWaalsContact OE2-CG2 3.29Å; E149-T278 WeakPolarHBondContact OE2-CG2 3.45Å; E149-T278 PolarHBondContact OE2-OG1 3.29Å; T278-K280 PolarHBondContact O-N 3.12Å; T278-A281 PolarHBondContact O-N 2.89Å; T278-A281 WeakPolarHBondContact OG1-CB 3.34Å; T278-A281 PolarHBondContact OG1-N 3.2Å; T278-A281 VanDerWaalsContact OG1-N 3.15Å; T278-K282 WeakPolarHBondContact O-CG 3.13Å; T278-K282 PolarHBondContact O-N 2.77Å
279	P	97.9	Very high	96.9	Very high	105 Å²	105	58.8 Å²	58.8	68%	0.682	31%	0.309	S	S	*	.	H	α-helix	trans	-54.6	-36.5	174.2	-27.3	35.8	0	0	0	113	K282 C283	P279-K282 PolarHBondContact O-N 2.85Å; P279-C283 VanDerWaalsContact O-CB 3.3Å; P279-C283 WeakPolarHBondContact O-CB 3.2Å; P279-C283 PolarHBondContact O-N 2.83Å
280	K	98	Very high	97.2	Very high	93 Å²	93	63.3 Å²	63.3	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-70.3	-41.3	179.3	-65.9	-177.6	-177.5	-176.2	0	112.4	T278 C283 L284 H305 P306 W307 S310	T278-K280 PolarHBondContact O-N 3.12Å; K280-C283 PolarHBondContact O-N 2.97Å; K280-L284 PolarHBondContact O-N 2.69Å; K280-H305 PolarHBondContact O-CE1 3.46Å; K280-P306 HydrophobicContact CD-CB 4.34Å; K280-W307 HydrophobicContact CB-CB 4.1Å; K280-W307 HydrophobicContact CB-CG 4.47Å; K280-S310 WeakPolarHBondContact CD-OG 3.46Å; K280-S310 WeakPolarHBondContact CE-OG 3.49Å; K280-S310 PolarHBondContact NZ-OG 3.04Å
281	A	98.2	Very high	97.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-46.6	173.1	0	0	0	0	0	111.4	E149 L248 L277 T278 C283 L284 I285	E149-A281 WeakPolarHBondContact OE2-CB 3.46Å; L248-A281 HydrophobicContact CD1-CB 4.29Å; L277-A281 HydrophobicContact CB-CB 4.3Å; T278-A281 PolarHBondContact O-N 2.89Å; T278-A281 WeakPolarHBondContact OG1-CB 3.34Å; T278-A281 PolarHBondContact OG1-N 3.2Å; T278-A281 VanDerWaalsContact OG1-N 3.15Å; A281-C283 VanDerWaalsContact C-N 3.3Å; A281-C283 PolarHBondContact O-N 3.01Å; A281-L284 PolarHBondContact O-N 3.07Å; A281-I285 VanDerWaalsContact O-CG1 3.28Å; A281-I285 WeakPolarHBondContact O-CG1 3.39Å; A281-I285 PolarHBondContact O-N 3.17Å
282	K	98.6	Very high	97.6	Very high	41 Å²	41	66.7 Å²	66.7	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-41.5	176.6	-71.6	170	179.4	154.8	0	111.8	I273 P274 E275 L277 T278 P279 R286	I273-K282 HydrophobicContact CB-CG 4.49Å; I273-K282 HydrophobicContact CG2-CG 3.75Å; P274-K282 WeakPolarHBondContact O-CE 3.14Å; E275-K282 PolarHBondContact O-NZ 3.47Å; L277-K282 HydrophobicContact CB-CG 4.1Å; L277-K282 WeakPolarHBondContact O-CE 3.44Å; L277-K282 PolarHBondContact O-NZ 3.02Å; T278-K282 WeakPolarHBondContact O-CG 3.13Å; T278-K282 PolarHBondContact O-N 2.77Å; P279-K282 PolarHBondContact O-N 2.85Å; K282-R286 WeakPolarHBondContact O-CG 3.5Å; K282-R286 PolarHBondContact O-N 2.92Å
283	C	98.3	Very high	97.6	Very high	60 Å²	60	61.6 Å²	61.6	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-54.4	176.4	-175.8	0	0	0	0	110.5	P279 K280 A281 I285 R286 S287	P279-C283 VanDerWaalsContact O-CB 3.3Å; P279-C283 WeakPolarHBondContact O-CB 3.2Å; P279-C283 PolarHBondContact O-N 2.83Å; K280-C283 PolarHBondContact O-N 2.97Å; A281-C283 VanDerWaalsContact C-N 3.3Å; A281-C283 PolarHBondContact O-N 3.01Å; C283-I285 PolarHBondContact O-N 3.12Å; C283-R286 PolarHBondContact O-N 2.87Å; C283-S287 PolarHBondContact O-N 3.11Å; C283-S287 PolarHBondContact O-OG 3.28Å
284	L	98.7	Very high	97.6	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-55.7	-48.5	179.9	-176.4	53.6	0	0	0	112.3	F156 L244 K280 A281 R286 S287 I288 L297 I302 H305 W307	F156-L284 HydrophobicContact CE1-CD2 4.48Å; L244-L284 HydrophobicContact CD2-CB 4.36Å; L244-L284 HydrophobicContact CD2-CD2 3.69Å; L244-L284 HydrophobicContact CD2-CG 3.75Å; K280-L284 PolarHBondContact O-N 2.69Å; A281-L284 PolarHBondContact O-N 3.07Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 3.09Å; L284-S287 PolarHBondContact O-N 3.1Å; L284-I288 HydrophobicContact CD1-CD1 3.62Å; L284-I288 HydrophobicContact CD1-CG1 3.98Å; L284-I288 HydrophobicContact CG-CD1 3.78Å; L284-I288 HydrophobicContact CG-CG1 4.48Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 3.48Å; L284-L297 HydrophobicContact CD1-CD1 3.95Å; L284-I302 HydrophobicContact CD1-CG2 4.43Å; L284-H305 HydrophobicContact CD1-CB 3.86Å; L284-W307 HydrophobicContact CD2-CB 4.2Å; L284-W307 HydrophobicContact CD2-CD2 4.03Å; L284-W307 HydrophobicContact CD2-CE3 3.37Å; L284-W307 HydrophobicContact CD2-CG 4.4Å; L284-W307 HydrophobicContact CD2-CZ3 4.05Å
285	I	98.7	Very high	97.7	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-43.9	178.7	-68.2	167.8	0	0	0	110.9	L244 Y245 L248 F271 I273 L277 A281 C283 I288 L289	L244-I285 HydrophobicContact CD2-CG1 3.73Å; L244-I285 HydrophobicContact CG-CG1 3.96Å; Y245-I285 HydrophobicContact CD2-CD1 4.46Å; Y245-I285 HydrophobicContact CD2-CG2 4.12Å; L248-I285 HydrophobicContact CD1-CD1 4.05Å; F271-I285 HydrophobicContact CE2-CG2 3.56Å; F271-I285 HydrophobicContact CZ-CG2 3.88Å; I273-I285 HydrophobicContact CD1-CB 4.06Å; I273-I285 HydrophobicContact CD1-CG2 3.73Å; I273-I285 HydrophobicContact CG1-CG2 4.32Å; I273-I285 HydrophobicContact CG2-CD1 4.36Å; L277-I285 HydrophobicContact CD1-CD1 4Å; A281-I285 VanDerWaalsContact O-CG1 3.28Å; A281-I285 WeakPolarHBondContact O-CG1 3.39Å; A281-I285 PolarHBondContact O-N 3.17Å; C283-I285 PolarHBondContact O-N 3.12Å; I285-I288 PolarHBondContact O-N 2.94Å; I285-L289 HydrophobicContact CG2-CD1 3.97Å; I285-L289 WeakPolarHBondContact O-CB 3.09Å; I285-L289 PolarHBondContact O-N 3.1Å
286	R	98.4	Very high	97.8	Very high	137 Å²	137	60.6 Å²	60.6	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-33.9	179.4	-72.9	-172.6	-178.5	111.7	-3.7	113.1	I273 K282 C283 L284 I288 R290	I273-R286 HydrophobicContact CD1-CG 3.77Å; K282-R286 WeakPolarHBondContact O-CG 3.5Å; K282-R286 PolarHBondContact O-N 2.92Å; C283-R286 PolarHBondContact O-N 2.87Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 3.09Å; R286-I288 VanDerWaalsContact C-N 3.29Å; R286-R290 WeakPolarHBondContact O-CD 3.38Å; R286-R290 WeakPolarHBondContact O-CG 3.47Å
287	S	98.6	Very high	97.9	Very high	32 Å²	32	57 Å²	57	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-27.6	177.1	-55.8	0	0	0	0	112.2	C283 L284 R296 L297	C283-S287 PolarHBondContact O-N 3.11Å; C283-S287 PolarHBondContact O-OG 3.28Å; L284-S287 PolarHBondContact O-N 3.1Å; S287-R296 WeakPolarHBondContact O-CA 3.25Å; S287-L297 PolarHBondContact O-N 3.2Å
288	I	98.4	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-85.7	-45.5	175	-60.8	169.5	0	0	0	111.6	F156 V237 L244 L284 I285 R286 R290 R296 I302	F156-I288 HydrophobicContact CE1-CD1 4.43Å; F156-I288 HydrophobicContact CZ-CD1 4.35Å; V237-I288 HydrophobicContact CG1-CG2 3.79Å; V237-I288 WeakPolarHBondContact O-CG2 3.45Å; L244-I288 HydrophobicContact CD2-CD1 4.24Å; L284-I288 HydrophobicContact CD1-CD1 3.62Å; L284-I288 HydrophobicContact CD1-CG1 3.98Å; L284-I288 HydrophobicContact CG-CD1 3.78Å; L284-I288 HydrophobicContact CG-CG1 4.48Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 3.48Å; I285-I288 PolarHBondContact O-N 2.94Å; R286-I288 VanDerWaalsContact C-N 3.29Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-R290 VanDerWaalsContact O-N 3.11Å; I288-R296 VanDerWaalsContact O-CD 3.32Å; I288-R296 WeakPolarHBondContact O-CD 3.47Å; I288-R296 VanDerWaalsContact O-CG 3.3Å; I288-R296 WeakPolarHBondContact O-CG 3.47Å; I288-I302 HydrophobicContact CD1-CD1 3.71Å; I288-I302 HydrophobicContact CD1-CG1 3.93Å; I288-I302 HydrophobicContact CD1-CG2 4.4Å; I288-I302 HydrophobicContact CG1-CD1 3.74Å; I288-I302 HydrophobicContact CG1-CG1 3.88Å; I288-I302 HydrophobicContact CG2-CD1 4.47Å
289	L	98.3	Very high	98	Very high	7 Å²	7	57 Å²	57	4%	0.037	29%	0.29	C	S	.	.	S	Bend	trans	-86.8	40.6	-177.6	-64.6	177.9	0	0	0	112.8	W238 V242 P253 F271 I285	W238-L289 HydrophobicContact CD2-CD2 3.75Å; W238-L289 HydrophobicContact CE3-CD2 3.83Å; W238-L289 HydrophobicContact CG-CD2 4.24Å; W238-L289 HydrophobicContact CH2-CD2 4.43Å; W238-L289 HydrophobicContact CZ2-CD2 4.36Å; W238-L289 HydrophobicContact CZ3-CB 4.27Å; W238-L289 HydrophobicContact CZ3-CD2 4.17Å; W238-L289 WeakPolarHBondContact O-CD2 3.42Å; V242-L289 HydrophobicContact CG2-CD2 4.13Å; P253-L289 HydrophobicContact CB-CD1 4.33Å; P253-L289 HydrophobicContact CG-CD1 4.3Å; F271-L289 HydrophobicContact CD1-CD1 4.5Å; F271-L289 HydrophobicContact CD2-CD1 4.49Å; F271-L289 HydrophobicContact CE1-CB 3.73Å; F271-L289 HydrophobicContact CE1-CD1 3.95Å; F271-L289 HydrophobicContact CE2-CD1 3.93Å; F271-L289 HydrophobicContact CZ-CB 3.78Å; F271-L289 HydrophobicContact CZ-CD1 3.64Å; F271-L289 HydrophobicContact CZ-CG 4.34Å; I285-L289 HydrophobicContact CG2-CD1 3.97Å; I285-L289 WeakPolarHBondContact O-CB 3.09Å; I285-L289 PolarHBondContact O-N 3.1Å
290	R	98	Very high	97.9	Very high	111 Å²	111	58.2 Å²	58.2	42%	0.419	28%	0.281	S	S	.	.			trans	-71.8	139.4	170.3	-59.9	-71.6	-74	-156.7	-8	109.4	R286 I288 E295 R296	R286-R290 WeakPolarHBondContact O-CD 3.38Å; R286-R290 WeakPolarHBondContact O-CG 3.47Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-R290 VanDerWaalsContact O-N 3.11Å; R290-E295 HydrophobicContact CB-CB 3.99Å; R290-E295 HydrophobicContact CG-CB 4.11Å; R290-E295 IonicContact CZ-OE2 2.84Å; R290-E295 IonicContact NE-OE2 2.67Å; R290-E295 PolarHBondContact NE-OE2 3.27Å; R290-E295 IonicContact NH2-OE1 3.99Å; R290-E295 IonicContact NH2-OE2 3.64Å; R290-E295 PolarHBondContact NH2-OE2 3.42Å; R290-R296 HydrophobicContact CB-CG 3.89Å; R290-R296 PolarHBondContact O-NE 2.86Å; R290-R296 PolarHBondContact O-NH2 2.72Å
291	R	95.8	Very high	98	Very high	156 Å²	156	58 Å²	58	59%	0.589	28%	0.281	S	S	*	.	S	Bend	trans	-64.3	-46.8	178.9	-173.2	-178.4	67.6	165.9	0.4	110.7	P221 R267 P293 R296	P221-R291 HydrophobicContact CB-CG 4.43Å; P221-R291 HydrophobicContact CG-CG 4.48Å; R267-R291 WeakPolarHBondContact O-CD 3.49Å; R291-P293 WeakPolarHBondContact O-CD 3.43Å; R291-R296 PolarHBondContact O-NH2 2.84Å
292	E	96.1	Very high	98	Very high	100 Å²	100	58 Å²	58	47%	0.467	28%	0.281	S	S	.	.	S	Bend	trans	-74.2	119.7	176.3	-173.4	54.4	-133.2	0	0	109.7	A294 E295	E292-A294 VanDerWaalsContact C-N 3.28Å; E292-A294 HydrophobicContact CG-CB 4.49Å; E292-A294 PolarHBondContact O-N 3.31Å; E292-E295 HydrophobicContact CB-CB 4.27Å; E292-E295 HydrophobicContact CB-CG 3.82Å; E292-E295 HydrophobicContact CG-CG 3.99Å; E292-E295 PolarHBondContact O-N 3.28Å; E292-E295 VanDerWaalsContact O-N 3.14Å
293	P	96.8	Very high	97.9	Very high	28 Å²	28	56.7 Å²	56.7	18%	0.182	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.6	-38.5	-177	-27	36.2	0	0	0	113.6	E222 A234 R291 E295 R296	E222-P293 HydrophobicContact CB-CG 3.92Å; E222-P293 HydrophobicContact CG-CG 3.83Å; A234-P293 HydrophobicContact CB-CB 3.74Å; R291-P293 WeakPolarHBondContact O-CD 3.43Å; P293-E295 PolarHBondContact O-N 2.71Å; P293-R296 WeakPolarHBondContact O-CB 3.44Å; P293-R296 WeakPolarHBondContact O-CG 3.13Å; P293-R296 PolarHBondContact O-N 2.71Å
294	A	96.8	Very high	97.9	Very high	94 Å²	94	59.9 Å²	59.9	78%	0.777	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.5	-15.6	-179.3	0	0	0	0	0	114.1	E292	E292-A294 VanDerWaalsContact C-N 3.28Å; E292-A294 HydrophobicContact CG-CB 4.49Å; E292-A294 PolarHBondContact O-N 3.31Å
295	E	97.9	Very high	97.8	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-89.9	-6.3	176.3	-64.8	-174.9	162.7	0	0	113	R290 E292 P293	R290-E295 HydrophobicContact CB-CB 3.99Å; R290-E295 HydrophobicContact CG-CB 4.11Å; R290-E295 IonicContact CZ-OE2 2.84Å; R290-E295 IonicContact NE-OE2 2.67Å; R290-E295 PolarHBondContact NE-OE2 3.27Å; R290-E295 IonicContact NH2-OE1 3.99Å; R290-E295 IonicContact NH2-OE2 3.64Å; R290-E295 PolarHBondContact NH2-OE2 3.42Å; E292-E295 HydrophobicContact CB-CB 4.27Å; E292-E295 HydrophobicContact CB-CG 3.82Å; E292-E295 HydrophobicContact CG-CG 3.99Å; E292-E295 PolarHBondContact O-N 3.28Å; E292-E295 VanDerWaalsContact O-N 3.14Å; P293-E295 PolarHBondContact O-N 2.71Å
296	R	98.5	Very high	97.7	Very high	17 Å²	17	64.5 Å²	64.5	6%	0.064	31%	0.313	C	S	.	.	S	Bend	trans	-77.3	146.2	179.9	-57.7	178.8	-170.9	144.4	12.5	109.8	E222 A234 V237 S287 I288 R290 R291 P293	E222-R296 IonicContact OE1-CZ 3.59Å; E222-R296 IonicContact OE1-NH1 3.08Å; E222-R296 PolarHBondContact OE1-NH1 2.68Å; E222-R296 IonicContact OE1-NH2 3.66Å; E222-R296 IonicContact OE2-CZ 3.31Å; E222-R296 IonicContact OE2-NH1 3.85Å; E222-R296 PolarHBondContact OE2-NH1 3.29Å; E222-R296 IonicContact OE2-NH2 2.69Å; E222-R296 PolarHBondContact OE2-NH2 3.28Å; A234-R296 VanDerWaalsContact C-NH1 3.34Å; A234-R296 PolarHBondContact O-NH1 2.66Å; V237-R296 HydrophobicContact CG1-CB 3.84Å; S287-R296 WeakPolarHBondContact O-CA 3.25Å; I288-R296 VanDerWaalsContact O-CD 3.32Å; I288-R296 WeakPolarHBondContact O-CD 3.47Å; I288-R296 VanDerWaalsContact O-CG 3.3Å; I288-R296 WeakPolarHBondContact O-CG 3.47Å; R290-R296 HydrophobicContact CB-CG 3.89Å; R290-R296 PolarHBondContact O-NE 2.86Å; R290-R296 PolarHBondContact O-NH2 2.72Å; R291-R296 PolarHBondContact O-NH2 2.84Å; P293-R296 WeakPolarHBondContact O-CB 3.44Å; P293-R296 WeakPolarHBondContact O-CG 3.13Å; P293-R296 PolarHBondContact O-N 2.71Å
297	L	98.6	Very high	97.7	Very high	39 Å²	39	58 Å²	58	20%	0.204	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.7	140.5	165.2	-62.2	175	0	0	0	110.2	V237 L284 S287 E301 I302	V237-L297 WeakPolarHBondContact CG1-O 3.49Å; L284-L297 HydrophobicContact CD1-CD1 3.95Å; S287-L297 PolarHBondContact O-N 3.2Å; L297-E301 HydrophobicContact CB-CB 4.15Å; L297-E301 HydrophobicContact CD2-CB 4.08Å; L297-I302 HydrophobicContact CB-CG1 3.88Å; L297-I302 HydrophobicContact CD1-CG1 4.29Å
298	T	98.6	Very high	97.5	Very high	68 Å²	68	56.5 Å²	56.5	42%	0.417	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.6	160.4	164.6	62.9	0	0	0	0	110.8	R300 E301 I302	T298-R300 PolarHBondContact O-N 2.57Å; T298-E301 WeakPolarHBondContact CB-OE2 3.36Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.44Å; T298-E301 PolarHBondContact N-OE2 2.71Å; T298-E301 PolarHBondContact O-N 3.44Å; T298-E301 WeakPolarHBondContact OG1-CB 3.43Å; T298-E301 VanDerWaalsContact OG1-CD 3.27Å; T298-E301 WeakPolarHBondContact OG1-CG 3.5Å; T298-E301 PolarHBondContact OG1-N 2.99Å; T298-E301 VanDerWaalsContact OG1-N 3.16Å; T298-E301 PolarHBondContact OG1-OE2 2.84Å; T298-I302 WeakPolarHBondContact O-CG1 3.19Å; T298-I302 PolarHBondContact O-N 3.24Å
299	S	98.1	Very high	96.6	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.028	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-31.7	174.5	49.4	0	0	0	0	112.7	A164 H167	A164-S299 WeakPolarHBondContact CA-OG 3.48Å; H167-S299 PolarHBondContact ND1-OG 3.04Å
300	R	97.5	Very high	95.4	Very high	130 Å²	130	62 Å²	62	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-69.2	-50.3	173.6	-173.2	70.6	-167.7	-167.4	3.5	112.5	T298 I302 L303 E304	T298-R300 PolarHBondContact O-N 2.57Å; R300-I302 PolarHBondContact O-N 2.81Å; R300-L303 WeakPolarHBondContact O-CB 3.13Å; R300-L303 PolarHBondContact O-N 3.45Å; R300-E304 IonicContact NE-OE1 3.69Å
301	E	98.4	Very high	93.9	Very high	89 Å²	89	57.8 Å²	57.8	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-29.6	179.1	-70.1	162.6	147.7	0	0	112.3	L297 T298 L303 E304 H305	L297-E301 HydrophobicContact CB-CB 4.15Å; L297-E301 HydrophobicContact CD2-CB 4.08Å; T298-E301 WeakPolarHBondContact CB-OE2 3.36Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.44Å; T298-E301 PolarHBondContact N-OE2 2.71Å; T298-E301 PolarHBondContact O-N 3.44Å; T298-E301 WeakPolarHBondContact OG1-CB 3.43Å; T298-E301 VanDerWaalsContact OG1-CD 3.27Å; T298-E301 WeakPolarHBondContact OG1-CG 3.5Å; T298-E301 PolarHBondContact OG1-N 2.99Å; T298-E301 VanDerWaalsContact OG1-N 3.16Å; T298-E301 PolarHBondContact OG1-OE2 2.84Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.33Å; E301-E304 PolarHBondContact O-N 3.31Å; E301-H305 PolarHBondContact O-N 3.29Å
302	I	98.6	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.3	-48.4	171.4	-72.1	169.9	0	0	0	110.1	F156 A160 V237 L240 L284 I288 L297 T298 R300 E304 H305 F308	F156-I302 HydrophobicContact CE1-CG2 4.02Å; A160-I302 HydrophobicContact CB-CG2 3.97Å; V237-I302 HydrophobicContact CG1-CD1 4.33Å; L240-I302 HydrophobicContact CD1-CD1 4.02Å; L284-I302 HydrophobicContact CD1-CG2 4.43Å; I288-I302 HydrophobicContact CD1-CD1 3.71Å; I288-I302 HydrophobicContact CD1-CG1 3.93Å; I288-I302 HydrophobicContact CD1-CG2 4.4Å; I288-I302 HydrophobicContact CG1-CD1 3.74Å; I288-I302 HydrophobicContact CG1-CG1 3.88Å; I288-I302 HydrophobicContact CG2-CD1 4.47Å; L297-I302 HydrophobicContact CB-CG1 3.88Å; L297-I302 HydrophobicContact CD1-CG1 4.29Å; T298-I302 WeakPolarHBondContact O-CG1 3.19Å; T298-I302 PolarHBondContact O-N 3.24Å; R300-I302 PolarHBondContact O-N 2.81Å; I302-E304 PolarHBondContact O-N 3.04Å; I302-E304 VanDerWaalsContact O-N 3.17Å; I302-H305 WeakPolarHBondContact O-CB 3.46Å; I302-H305 PolarHBondContact O-N 3.3Å; I302-F308 HydrophobicContact CG2-CE2 4.14Å; I302-F308 HydrophobicContact CG2-CZ 4.45Å; I302-F308 WeakPolarHBondContact O-CE2 3.35Å
303	L	97.7	Very high	90.9	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-25.9	-177.7	-65.6	169.5	0	0	0	113.4	Y157 A160 A164 R300 E301 H305	Y157-L303 HydrophobicContact CD1-CD2 4.49Å; Y157-L303 HydrophobicContact CD2-CD2 3.78Å; Y157-L303 HydrophobicContact CE1-CD2 4.35Å; Y157-L303 HydrophobicContact CE2-CB 4.14Å; Y157-L303 HydrophobicContact CE2-CD2 3.63Å; Y157-L303 HydrophobicContact CG-CD2 4.22Å; A160-L303 HydrophobicContact CB-CD2 3.74Å; A160-L303 HydrophobicContact CB-CG 4.39Å; A164-L303 HydrophobicContact CB-CD1 3.71Å; R300-L303 WeakPolarHBondContact O-CB 3.13Å; R300-L303 PolarHBondContact O-N 3.45Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.33Å; L303-H305 VanDerWaalsContact C-N 3.35Å
304	E	96.8	Very high	89.2	Confident	128 Å²	128	49.5 Å²	49.5	60%	0.598	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.7	-179.2	-64.6	171.5	-171.9	0	0	112.2	R300 E301 I302	R300-E304 IonicContact NE-OE1 3.69Å; E301-E304 PolarHBondContact O-N 3.31Å; I302-E304 PolarHBondContact O-N 3.04Å; I302-E304 VanDerWaalsContact O-N 3.17Å
305	H	97.9	Very high	86.9	Confident	25 Å²	25	47.4 Å²	47.4	12%	0.116	28%	0.276	C	S	.	.			trans	-66.2	135.2	-175.7	-171.3	-89.6	0	0	0	112.5	K280 L284 E301 I302 L303 W307 F308	K280-H305 PolarHBondContact O-CE1 3.46Å; L284-H305 HydrophobicContact CD1-CB 3.86Å; E301-H305 PolarHBondContact O-N 3.29Å; I302-H305 WeakPolarHBondContact O-CB 3.46Å; I302-H305 PolarHBondContact O-N 3.3Å; L303-H305 VanDerWaalsContact C-N 3.35Å; H305-W307 VanDerWaalsContact ND1-CB 3.32Å; H305-W307 WeakPolarHBondContact ND1-CB 3.4Å; H305-W307 PolarHBondContact ND1-N 3.47Å; H305-W307 VanDerWaalsContact ND1-N 3.19Å; H305-W307 PolarHBondContact O-N 3.19Å; H305-F308 PolarHBondContact O-N 2.86Å; H305-F308 VanDerWaalsContact O-N 3.09Å
306	P	96.5	Very high	84.5	Confident	71 Å²	71	45.2 Å²	45.2	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-11.6	-175.5	-28.1	35.4	0	0	0	116.9	K280 F308 A309 S310	K280-P306 HydrophobicContact CD-CB 4.34Å; P306-F308 VanDerWaalsContact C-N 3.27Å; P306-F308 PolarHBondContact O-N 2.8Å; P306-A309 PolarHBondContact O-N 2.8Å; P306-S310 PolarHBondContact O-N 3.47Å; P306-S310 PolarHBondContact O-OG 3.22Å
307	W	97.5	Very high	82	Confident	1 Å²	1	51 Å²	51	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-38.8	173.6	-178.1	60.3	0	0	0	111.4	E149 A152 A153 F156 L244 L248 K280 L284 H305 S310 S311	E149-W307 HydrophobicContact CB-CZ2 4.5Å; E149-W307 PolarHBondContact OE2-NE1 3.02Å; A152-W307 HydrophobicContact CB-CH2 4.27Å; A153-W307 VanDerWaalsContact CA-CH2 3.44Å; A153-W307 HydrophobicContact CB-CD2 4.5Å; A153-W307 HydrophobicContact CB-CE3 4.29Å; A153-W307 HydrophobicContact CB-CH2 3.75Å; A153-W307 HydrophobicContact CB-CZ2 3.93Å; A153-W307 HydrophobicContact CB-CZ3 3.94Å; F156-W307 HydrophobicContact CB-CZ3 4.38Å; F156-W307 AromaticContact CD1-CZ3 3.97Å; F156-W307 HydrophobicContact CD1-CZ3 3.97Å; L244-W307 HydrophobicContact CD1-CH2 3.4Å; L244-W307 VanDerWaalsContact CD1-CH2 3.4Å; L244-W307 HydrophobicContact CD1-CZ2 4.24Å; L244-W307 HydrophobicContact CD1-CZ3 3.62Å; L248-W307 HydrophobicContact CD1-CH2 4.4Å; L248-W307 HydrophobicContact CD1-CZ2 4.06Å; L248-W307 HydrophobicContact CD2-CZ2 4.21Å; K280-W307 HydrophobicContact CB-CB 4.1Å; K280-W307 HydrophobicContact CB-CG 4.47Å; L284-W307 HydrophobicContact CD2-CB 4.2Å; L284-W307 HydrophobicContact CD2-CD2 4.03Å; L284-W307 HydrophobicContact CD2-CE3 3.37Å; L284-W307 HydrophobicContact CD2-CG 4.4Å; L284-W307 HydrophobicContact CD2-CZ3 4.05Å; H305-W307 VanDerWaalsContact ND1-CB 3.32Å; H305-W307 WeakPolarHBondContact ND1-CB 3.4Å; H305-W307 PolarHBondContact ND1-N 3.47Å; H305-W307 VanDerWaalsContact ND1-N 3.19Å; H305-W307 PolarHBondContact O-N 3.19Å; W307-S310 PolarHBondContact O-N 3.24Å; W307-S311 PolarHBondContact O-N 3.29Å; W307-S311 PolarHBondContact O-OG 3.46Å
308	F	93.9	Very high	79.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69.2	-37.5	178.5	-65.8	-62.5	0	0	0	113.2	A153 F156 Y157 I302 H305 P306 S310 S311 V313	A153-F308 HydrophobicContact CB-CD1 4.15Å; A153-F308 VanDerWaalsContact O-CE1 3.31Å; A153-F308 WeakPolarHBondContact O-CE1 3.36Å; F156-F308 HydrophobicContact CD1-CE1 4.09Å; F156-F308 AromaticContact CD1-CZ 3.68Å; F156-F308 HydrophobicContact CD1-CZ 3.68Å; F156-F308 HydrophobicContact CE1-CZ 4.23Å; Y157-F308 HydrophobicContact CD2-CB 4.3Å; Y157-F308 AromaticContact CD2-CD1 3.79Å; Y157-F308 HydrophobicContact CD2-CD1 3.79Å; Y157-F308 AromaticContact CD2-CD2 3.9Å; Y157-F308 HydrophobicContact CD2-CD2 3.9Å; Y157-F308 AromaticContact CD2-CE1 3.98Å; Y157-F308 HydrophobicContact CD2-CE1 3.98Å; Y157-F308 HydrophobicContact CD2-CE2 4.05Å; Y157-F308 AromaticContact CD2-CG 3.75Å; Y157-F308 HydrophobicContact CD2-CG 3.75Å; Y157-F308 HydrophobicContact CD2-CZ 4.08Å; Y157-F308 HydrophobicContact CE2-CD2 4.45Å; Y157-F308 HydrophobicContact CE2-CG 4.49Å; Y157-F308 HydrophobicContact CG-CD1 4.32Å; Y157-F308 HydrophobicContact CG-CE1 4.31Å; I302-F308 HydrophobicContact CG2-CE2 4.14Å; I302-F308 HydrophobicContact CG2-CZ 4.45Å; I302-F308 WeakPolarHBondContact O-CE2 3.35Å; H305-F308 PolarHBondContact O-N 2.86Å; H305-F308 VanDerWaalsContact O-N 3.09Å; P306-F308 VanDerWaalsContact C-N 3.27Å; P306-F308 PolarHBondContact O-N 2.8Å; F308-S310 VanDerWaalsContact C-N 3.31Å; F308-S310 PolarHBondContact O-N 2.9Å; F308-S311 PolarHBondContact O-N 3.09Å; F308-V313 HydrophobicContact CB-CB 4.41Å; F308-V313 HydrophobicContact CD1-CG2 4.41Å; F308-V313 WeakPolarHBondContact O-CB 3.02Å; F308-V313 PolarHBondContact O-N 3.11Å
309	A	81.1	Confident	76.2	Confident	57 Å²	57	57.2 Å²	57.2	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-38.9	176.5	0	0	0	0	0	112.1	P306 S311 G312 L314	P306-A309 PolarHBondContact O-N 2.8Å; A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 2.95Å; A309-G312 PolarHBondContact O-N 2.96Å; A309-L314 HydrophobicContact CB-CD1 3.94Å
310	S	71.8	Confident	73.4	Confident	67 Å²	67	66.4 Å²	66.4	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-73.7	-21.2	-177.3	-49	0	0	0	0	113.1	K280 P306 W307 F308	K280-S310 WeakPolarHBondContact CD-OG 3.46Å; K280-S310 WeakPolarHBondContact CE-OG 3.49Å; K280-S310 PolarHBondContact NZ-OG 3.04Å; P306-S310 PolarHBondContact O-N 3.47Å; P306-S310 PolarHBondContact O-OG 3.22Å; W307-S310 PolarHBondContact O-N 3.24Å; F308-S310 VanDerWaalsContact C-N 3.31Å; F308-S310 PolarHBondContact O-N 2.9Å
311	S	66.9	Low	70.2	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.154	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.9	179.5	-63.8	0	0	0	0	113.2	A153 W307 F308 A309 V313	A153-S311 WeakPolarHBondContact CB-OG 3.42Å; W307-S311 PolarHBondContact O-N 3.29Å; W307-S311 PolarHBondContact O-OG 3.46Å; F308-S311 PolarHBondContact O-N 3.09Å; A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 2.95Å; S311-V313 PolarHBondContact O-N 3.48Å
312	G	61.7	Low	67.2	Low	47 Å²	47	70 Å²	70	49%	0.485	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	7	179.1	0	0	0	0	0	114.9	A309 G315	A309-G312 PolarHBondContact O-N 2.96Å; G312-G315 PolarHBondContact O-N 3.41Å
313	V	66.3	Low	64.4	Low	9 Å²	9	73.8 Å²	73.8	6%	0.055	45%	0.454	C	S	.	.	H	α-helix	trans	-61.9	-48.3	-178.4	-177.9	0	0	0	0	110.2	A153 R154 Y157 F308 S311 G315 G316 F317	A153-V313 HydrophobicContact CB-CG2 3.78Å; R154-V313 HydrophobicContact CG-CG2 3.9Å; Y157-V313 HydrophobicContact CD1-CG1 4.31Å; Y157-V313 HydrophobicContact CD2-CG1 4.23Å; Y157-V313 HydrophobicContact CG-CG1 3.92Å; F308-V313 HydrophobicContact CB-CB 4.41Å; F308-V313 HydrophobicContact CD1-CG2 4.41Å; F308-V313 WeakPolarHBondContact O-CB 3.02Å; F308-V313 PolarHBondContact O-N 3.11Å; S311-V313 PolarHBondContact O-N 3.48Å; V313-G315 VanDerWaalsContact C-N 3.29Å; V313-G315 PolarHBondContact O-N 3.35Å; V313-G316 PolarHBondContact O-N 2.9Å; V313-F317 HydrophobicContact CG1-CE2 4.23Å; V313-F317 WeakPolarHBondContact O-CD2 3.41Å
314	L	61.3	Low	61.5	Low	54 Å²	54	80.8 Å²	80.8	28%	0.283	49%	0.486	S	S	.	.	H	α-helix	trans	-72.2	-21.4	179.8	-60.9	177	0	0	0	113.4	Y157 A309 G316 F317 L318	Y157-L314 HydrophobicContact CE2-CD2 4.35Å; A309-L314 HydrophobicContact CB-CD1 3.94Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 3.48Å; L314-F317 PolarHBondContact O-N 3.31Å; L314-L318 HydrophobicContact CB-CD1 4.38Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 WeakPolarHBondContact O-CG 3.29Å; L314-L318 PolarHBondContact O-N 3.47Å
315	G	48.2	Very low	58.9	Low	50 Å²	50	86.4 Å²	86.4	52%	0.515	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-24.9	177.6	0	0	0	0	0	113.7	G312 V313	G312-G315 PolarHBondContact O-N 3.41Å; V313-G315 VanDerWaalsContact C-N 3.29Å; V313-G315 PolarHBondContact O-N 3.35Å
316	G	48.3	Very low	56.1	Low	59 Å²	59	94.3 Å²	94.3	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-78.8	-27.7	174.3	0	0	0	0	0	114	V313 L314	V313-G316 PolarHBondContact O-N 2.9Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 3.48Å
317	F	46.9	Very low	53.1	Low	137 Å²	137	99.8 Å²	99.8	60%	0.601	56%	0.558	S	S	*	*	H	α-helix	trans	-91.2	-19.2	-178.2	-69.4	-74.9	0	0	0	114	V313 L314	V313-F317 HydrophobicContact CG1-CE2 4.23Å; V313-F317 WeakPolarHBondContact O-CD2 3.41Å; L314-F317 PolarHBondContact O-N 3.31Å
318	L	39.4	Very low	50.2	Low	126 Å²	126	108.6 Å²	108.6	66%	0.66	60%	0.6	S	S	*	*			trans	-106.9	20.1	-171.5	-66.8	173.7	0	0	0	115	L314 H320	L314-L318 HydrophobicContact CB-CD1 4.38Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 WeakPolarHBondContact O-CG 3.29Å; L314-L318 PolarHBondContact O-N 3.47Å; L318-H320 PolarHBondContact O-N 2.67Å
319	T	36.3	Very low	47.4	Very low	112 Å²	112	118.1 Å²	118.1	69%	0.687	64%	0.644	S	S	*	*	S	Bend	trans	-77.6	60.6	167.7	58.2	0	0	0	0	111
320	H	37.5	Very low	45.5	Very low	197 Å²	197	123.4 Å²	123.4	91%	0.912	66%	0.661	S	S	*	*	S	Bend	trans	-178.6	99.1	148.6	-102.1	57.4	0	0	0	108.4	L318	L318-H320 PolarHBondContact O-N 2.67Å
321	G	31.7	Very low	43.9	Very low	69 Å²	69	126.3 Å²	126.3	71%	0.711	68%	0.676	S	S	*	*	S	Bend	trans	138.8	100.4	159.5	0	0	0	0	0	116.4
322	R	34.2	Very low	42.8	Very low	226 Å²	226	130.2 Å²	130.2	85%	0.853	70%	0.7	S	S	*	*			trans	65	103.5	151.7	-73.6	-177.7	173	-156.3	-1.2	118.2
323	G	41.2	Very low	41.9	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	72%	0.721	S	S	*	*			trans	-69.9	129.6	149.5	0	0	0	0	0	110.5
324	E	36.9	Very low	40.7	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	75%	0.751	S	S	*	*			trans	-130.9	134.4	153.3	-72.7	-175.2	172.9	0	0	107	E326	E324-E326 PolarHBondContact O-N 3.03Å
325	R	42.4	Very low	40.1	Very low	245 Å²	245	145 Å²	145	93%	0.925	77%	0.766	S	S	*	*			trans	-72.5	119.9	-176.3	-66.4	172.3	-179.2	172.7	-1.1	108.5	Q327	R325-Q327 PolarHBondContact O-N 3.02Å
326	E	37.8	Very low	40.2	Very low	191 Å²	191	149.8 Å²	149.8	89%	0.893	78%	0.777	S	S	*	*			trans	-70.5	121.1	165.3	-71.4	177.9	161.2	0	0	108.6	E324	E324-E326 PolarHBondContact O-N 3.03Å
327	Q	34.8	Very low	40.4	Very low	187 Å²	187	154.6 Å²	154.6	87%	0.874	78%	0.783	S	S	*	*			trans	-78.9	114.6	165.3	-78.3	177	4.7	0	0	107.6	R325 Q329	R325-Q327 PolarHBondContact O-N 3.02Å; Q327-Q329 PolarHBondContact O-N 2.97Å
328	E	35.7	Very low	40.6	Very low	186 Å²	186	155.4 Å²	155.4	87%	0.869	79%	0.789	S	S	*	*			trans	-59.8	113.9	169.3	-68.9	177.9	153.4	0	0	109.2	M330	E328-M330 PolarHBondContact O-N 3.36Å
329	Q	34.7	Very low	40.9	Very low	199 Å²	199	156.1 Å²	156.1	93%	0.93	79%	0.789	S	S	*	*			trans	-72.9	106.5	166.7	-89.7	-178.8	-59.3	0	0	108.7	Q327	Q327-Q329 PolarHBondContact O-N 2.97Å
330	M	41.5	Very low	41.5	Very low	169 Å²	169	157.2 Å²	157.2	83%	0.833	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.5	145.7	166.6	-76.2	175.1	52.9	0	0	111	E328	E328-M330 PolarHBondContact O-N 3.36Å
331	V	38.2	Very low	42.1	Very low	128 Å²	128	156.1 Å²	156.1	78%	0.776	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.2	130	172.2	-173.7	0	0	0	0	108.8	E333	V331-E333 PolarHBondContact O-N 3.34Å
332	P	44.3	Very low	42.8	Very low	104 Å²	104	159.9 Å²	159.9	68%	0.675	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-64.4	133.6	176.2	24.9	-30.8	0	0	0	110	V334	P332-V334 PolarHBondContact O-N 2.76Å; P332-V334 VanDerWaalsContact O-N 3.1Å
333	E	41.3	Very low	43.5	Very low	195 Å²	195	158.2 Å²	158.2	91%	0.911	79%	0.787	S	S	*	*			trans	-65.5	108.9	169.9	-70.7	-173.5	165.7	0	0	108.3	V331 N335	V331-E333 PolarHBondContact O-N 3.34Å; E333-N335 PolarHBondContact O-N 3.13Å
334	V	42.9	Very low	43.7	Very low	114 Å²	114	162.5 Å²	162.5	69%	0.691	81%	0.805	S	S	*	*			trans	-82.1	111.9	172.4	-160.3	0	0	0	0	106.8	P332 M336	P332-V334 PolarHBondContact O-N 2.76Å; P332-V334 VanDerWaalsContact O-N 3.1Å; V334-M336 PolarHBondContact O-N 3.46Å; V334-M336 VanDerWaalsContact O-N 3.1Å
335	N	48.8	Very low	44.1	Very low	112 Å²	112	162.6 Å²	162.6	60%	0.599	81%	0.807	S	S	*	*			trans	-75	99.2	176.6	-155.5	17.1	0	0	0	108.6	E333 E337	E333-N335 PolarHBondContact O-N 3.13Å; N335-E337 PolarHBondContact O-N 3.24Å
336	M	50.3	Low	44.1	Very low	150 Å²	150	158.2 Å²	158.2	74%	0.739	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	14.5	-175.2	-79.8	-95.9	-74.1	0	0	114.8	V334	V334-M336 PolarHBondContact O-N 3.46Å; V334-M336 VanDerWaalsContact O-N 3.1Å
337	E	51.4	Low	44.5	Very low	160 Å²	160	156.4 Å²	156.4	75%	0.748	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-15.1	179.4	-68.7	-175.2	168.3	0	0	113.3	N335	N335-E337 PolarHBondContact O-N 3.24Å
338	E	50.7	Low	45.1	Very low	154 Å²	154	154.6 Å²	154.6	72%	0.72	79%	0.792	S	S	*	*	S	Bend	trans	-90.7	-14.3	179.7	-79	-177.3	164.1	0	0	114.6
339	E	46.4	Very low	45.6	Very low	140 Å²	140	152.6 Å²	152.6	65%	0.654	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-9	-179.9	-85.9	-171.2	162.9	0	0	114.6
340	L	48.1	Very low	46.4	Very low	136 Å²	136	149.5 Å²	149.5	71%	0.712	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-11.3	-179.9	-70.3	173.3	0	0	0	114.2	S344	L340-S344 PolarHBondContact O-OG 2.96Å
341	E	50.3	Low	46.7	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	77%	0.773	S	S	*	*	S	Bend	trans	-88.7	-7.4	173.9	-69.9	-164	166	0	0	113.7
342	L	47.8	Very low	47.4	Very low	147 Å²	147	149.7 Å²	149.7	77%	0.77	77%	0.773	S	S	*	*	S	Bend	trans	-88.9	-2.9	176.7	-112	102.3	0	0	0	114.7
343	F	48.3	Very low	47.6	Very low	191 Å²	191	153.5 Å²	153.5	84%	0.838	78%	0.781	S	S	*	*			trans	-127	21.7	-179.5	-70.2	-74.6	0	0	0	114.2
344	S	45.3	Very low	48.2	Very low	169 Å²	169	149.7 Å²	149.7	100%	1.182	77%	0.77	S	S	*	*			trans	-100.1	0	172.4	-57.4	0	0	0	0	112.3	L340	L340-S344 PolarHBondContact O-OG 2.96Å

Retrieved 344 of 344 residues in 1104.2 ms (Link to these results)

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