A0A087XHP1_POEFO Loading...

Serine/threonine-protein kinase MARK1

Serine/threonine-protein kinase. Involved in cell polarity and microtubule dynamics regulation. Phosphorylates DCX, MAP2 and MAP4. Phosphorylates the microtubule-associated protein MAPT/TAU. Involved in cell polarity by phosphorylating the microtubule-associated proteins MAP2, MAP4 and MAPT/TAU at KXGS motifs, causing detachment from microtubules, and their disassembly. Involved in the regulation of neuronal migration through its dual activities in regulating cellular polarity and microtubule dynamics, possibly by phosphorylating and regulating DCX. Also acts as a positive regulator of the Wnt signaling pathway, probably by mediating phosphorylation of dishevelled proteins (DVL1, DVL2 and/or DVL3).

AlphaFold DB , UniProt , Accession A0A087XHP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 776 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	38.3	Very low	242 Å²	242	146.8 Å²	146.8	100%	1.192	81%	0.814	S	S	*	*				0	128.7	0	-64.4	173.9	175.6	0	0	106.1
2	S	35.9	Very low	37.7	Very low	104 Å²	104	148 Å²	148	73%	0.727	81%	0.808	S	S	*	*			cis	-133.6	148.3	18.7	-62.8	0	0	0	0	113.2
3	T	34.9	Very low	37.5	Very low	125 Å²	125	152.8 Å²	152.8	77%	0.767	81%	0.807	S	S	*	*			trans	23.6	140	142.1	61.7	0	0	0	0	120.1
4	R	36.8	Very low	37	Very low	234 Å²	234	150.9 Å²	150.9	88%	0.883	80%	0.798	S	S	*	*			cis	-164.8	133.5	10.4	-130.2	176.2	178.5	173.3	-3	109.9
5	T	32.3	Very low	36.7	Very low	124 Å²	124	148.6 Å²	148.6	76%	0.761	79%	0.792	S	S	*	*			trans	-66.8	-180	150.5	16.2	0	0	0	0	111.1
6	P	50.2	Low	36.5	Very low	102 Å²	102	149.1 Å²	149.1	66%	0.662	79%	0.788	S	S	*	*			cis	-144	175.2	-18.2	34.4	-13.3	0	0	0	117.1
7	L	30.9	Very low	36.2	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	78%	0.779	S	S	*	*			trans	60.3	162.4	136.6	-71.6	167.6	0	0	0	124.3
8	P	63.2	Low	36.2	Very low	108 Å²	108	148.5 Å²	148.5	70%	0.701	78%	0.779	S	S	*	*			trans	-116.3	171.7	-172.1	44.1	-34	0	0	0	116.2
9	T	31.6	Very low	36	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	77%	0.771	S	S	*	*			trans	-152.7	140.3	166.8	43.6	0	0	0	0	108.4
10	V	32.1	Very low	35.8	Very low	125 Å²	125	143.3 Å²	143.3	76%	0.758	77%	0.769	S	S	*	*			cis	87.5	120.2	45.6	176.3	0	0	0	0	114.4
11	N	32	Very low	35.8	Very low	150 Å²	150	142.9 Å²	142.9	80%	0.802	77%	0.771	S	S	*	*			trans	84.6	157.9	156.5	-85.5	13.6	0	0	0	124.6
12	E	31.7	Very low	35.4	Very low	161 Å²	161	139.1 Å²	139.1	75%	0.752	76%	0.756	S	S	*	*			trans	86.6	126.8	167.2	-48.8	-146.2	120.7	0	0	116
13	R	34	Very low	35.2	Very low	210 Å²	210	137.4 Å²	137.4	79%	0.792	75%	0.754	S	S	*	*				64.8	134.5	62	-78.4	-169.8	-172.2	171.5	1.6	111.1
14	D	31.3	Very low	34.9	Very low	126 Å²	126	140.9 Å²	140.9	67%	0.674	76%	0.759	S	S	*	*			cis	-155.2	173.3	34.4	-99	-41.9	0	0	0	114.6
15	T	31.9	Very low	34.8	Very low	117 Å²	117	135.9 Å²	135.9	72%	0.718	75%	0.754	S	S	*	*			trans	18.5	151.5	148.7	65	0	0	0	0	122.6
16	E	33.3	Very low	35.1	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	76%	0.755	S	S	*	*				-165.2	158.1	53.4	-81.4	-165.6	115.5	0	0	114.5
17	N	31.6	Very low	35	Very low	116 Å²	116	138.5 Å²	138.5	62%	0.62	76%	0.759	S	S	*	*			trans	45.8	143.8	138.7	-57.5	-26	0	0	0	120.6
18	H	36.1	Very low	35.8	Very low	172 Å²	172	136 Å²	136	80%	0.796	75%	0.753	S	S	*	*			cis	-166.6	178.9	18.1	-100.1	-16.2	0	0	0	107.2
19	S	32.8	Very low	34.6	Very low	88 Å²	88	135.6 Å²	135.6	62%	0.615	76%	0.759	S	S	*	*			cis	-171	-177.4	-20.3	56.7	0	0	0	0	108.9
20	S	33.1	Very low	35.4	Very low	104 Å²	104	135 Å²	135	73%	0.727	76%	0.757	S	S	*	*			trans	60.7	102.4	159.9	-50.6	0	0	0	0	119.2
21	V	33.8	Very low	36.2	Very low	135 Å²	135	133.9 Å²	133.9	82%	0.818	75%	0.752	S	S	*	*				83.9	109.8	79.6	171.5	0	0	0	0	115.6
22	D	34.9	Very low	36.3	Very low	164 Å²	164	132.4 Å²	132.4	88%	0.877	75%	0.749	S	S	*	*			trans	17.8	139.2	155.8	-62.1	-37.2	0	0	0	124
23	G	30.2	Very low	36.4	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	75%	0.75	S	S	*	*			trans	167.2	95.8	152	0	0	0	0	0	119.6
24	F	29.8	Very low	36.2	Very low	198 Å²	198	128.9 Å²	128.9	87%	0.868	75%	0.752	S	S	*	*			trans	62	114.2	145.6	-76.7	-92.6	0	0	0	124.5
25	V	34.4	Very low	36.1	Very low	129 Å²	129	127.7 Å²	127.7	78%	0.782	76%	0.759	S	S	*	*				53.7	131.4	118.5	-175.9	0	0	0	0	122.2
26	E	37.3	Very low	36.1	Very low	166 Å²	166	127.4 Å²	127.4	78%	0.776	76%	0.762	S	S	*	*			trans	-57.7	156.4	173.2	-150.9	-174.1	167.2	0	0	115.4
27	P	48.2	Very low	36.3	Very low	115 Å²	115	131.9 Å²	131.9	75%	0.747	77%	0.772	S	S	*	*				-151.1	-160.9	106.1	44.5	-25.6	0	0	0	113.4
28	P	47.9	Very low	36.3	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	79%	0.785	S	S	*	*				-127.3	-178.7	-99.4	38	-17.5	0	0	0	115.7
29	A	39.7	Very low	35.9	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	79%	0.785	S	S	*	*			trans	-129.6	145.5	-179.8	0	0	0	0	0	115.2
30	P	46.5	Very low	36	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	80%	0.797	S	S	*	*			trans	-125.1	-176.9	170.5	45	-33.1	0	0	0	113
31	P	49.5	Very low	36	Very low	101 Å²	101	137 Å²	137	66%	0.656	80%	0.798	S	S	*	*				-139.9	-179.6	-70.1	43	-26.3	0	0	0	115.6
32	T	33.8	Very low	36	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	80%	0.803	S	S	*	*			trans	72.6	153.7	160	66	0	0	0	0	119.4
33	K	33.6	Very low	35.7	Very low	180 Å²	180	140.3 Å²	140.3	78%	0.783	80%	0.801	S	S	*	*			cis	-165.2	149.4	4.3	-125	161	-168.6	173.9	0	112.2
34	S	30.6	Very low	35.8	Very low	118 Å²	118	147.9 Å²	147.9	83%	0.825	81%	0.809	S	S	*	*			trans	60.6	152.3	146.4	69.1	0	0	0	0	120.7
35	A	30.2	Very low	35.8	Very low	100 Å²	100	145.3 Å²	145.3	83%	0.826	80%	0.804	S	S	*	*			cis	-148.7	152.3	0.5	0	0	0	0	0	111.4
36	S	30.8	Very low	35.8	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	80%	0.797	S	S	*	*			trans	-97.3	146.8	171.7	48.2	0	0	0	0	112.1
37	R	36.6	Very low	35.6	Very low	250 Å²	250	144.5 Å²	144.5	94%	0.943	80%	0.8	S	S	*	*			trans	-125.7	143.1	162.9	-82.4	-171.9	176.2	178.6	0.3	110.3
38	H	31.7	Very low	35.2	Very low	191 Å²	191	145.3 Å²	145.3	88%	0.884	80%	0.803	S	S	*	*			trans	-71.8	143.5	-166.6	-64.4	-95.5	0	0	0	113.9
39	S	28.1	Very low	34.6	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	80%	0.799	S	S	*	*			trans	-109.7	131	158.6	48.8	0	0	0	0	109.5
40	L	34.5	Very low	34.7	Very low	166 Å²	166	146.7 Å²	146.7	87%	0.869	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.1	145.4	173.6	-77.7	165.5	0	0	0	110.2	R42	L40-R42 PolarHBondContact O-N 3.4Å
41	P	34.5	Very low	34.6	Very low	115 Å²	115	146.1 Å²	146.1	75%	0.747	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.6	122.1	-169.5	30.7	-34.1	0	0	0	112.5	C43	P41-C43 PolarHBondContact O-N 3.15Å
42	R	33.7	Very low	34.9	Very low	244 Å²	244	150.1 Å²	150.1	92%	0.921	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.7	116.8	168.7	-161.6	171.2	-171.9	156.6	0.2	108.6	L40 R44	L40-R42 PolarHBondContact O-N 3.4Å; R42-R44 PolarHBondContact O-N 3.06Å
43	C	29	Very low	36.4	Very low	124 Å²	124	147.1 Å²	147.1	84%	0.838	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-57.1	119.3	-176.5	-73.2	0	0	0	0	111.5	P41	P41-C43 PolarHBondContact O-N 3.15Å
44	R	32.2	Very low	39	Very low	226 Å²	226	142.1 Å²	142.1	85%	0.853	77%	0.767	S	S	*	*			trans	-107.9	94.5	-179	-170	178.3	-168.5	169	2.7	108.8	R42 S46	R42-R44 PolarHBondContact O-N 3.06Å; R44-S46 VanDerWaalsContact C-N 3.3Å; R44-S46 PolarHBondContact O-N 3.47Å
45	N	29.2	Very low	41.9	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	75%	0.75	S	S	*	*			trans	-68.8	92.1	168.1	-80.4	0.1	0	0	0	108.9	F47	N45-F47 PolarHBondContact O-N 3.44Å; N45-F47 VanDerWaalsContact O-N 3.12Å
46	S	34.1	Very low	44.9	Very low	90 Å²	90	137.9 Å²	137.9	63%	0.629	72%	0.717	S	S	*	*			trans	-77.2	88.5	176.4	52.5	0	0	0	0	110.8	R44 T48	R44-S46 VanDerWaalsContact C-N 3.3Å; R44-S46 PolarHBondContact O-N 3.47Å; S46-T48 PolarHBondContact O-N 2.7Å
47	F	33.6	Very low	47.9	Very low	189 Å²	189	135 Å²	135	83%	0.829	71%	0.705	S	S	*	*			trans	-84	93.2	157.7	-75	-78.3	0	0	0	109	N45	N45-F47 PolarHBondContact O-N 3.44Å; N45-F47 VanDerWaalsContact O-N 3.12Å
48	T	38.5	Very low	50.7	Low	132 Å²	132	125 Å²	125	81%	0.81	67%	0.67	S	S	*	*			trans	-94.7	103.3	170.7	48.3	0	0	0	0	109.9	S46	S46-T48 PolarHBondContact O-N 2.7Å
49	S	36	Very low	53.9	Low	95 Å²	95	116 Å²	116	66%	0.664	63%	0.628	S	S	*	*			trans	-148.1	89.8	168	60.8	0	0	0	0	110.9	D51	S49-D51 PolarHBondContact O-N 3.39Å
50	T	41.3	Very low	57.1	Low	149 Å²	149	115.7 Å²	115.7	91%	0.914	61%	0.61	S	S	*	*	S	Bend	trans	26.9	73.4	144.3	56.6	0	0	0	0	118.9
51	D	45.6	Very low	60.1	Low	109 Å²	109	108.4 Å²	108.4	58%	0.583	57%	0.572	S	S	*	*			trans	-162.9	90.5	137.4	-165.2	8.3	0	0	0	108.8	S49 Q53	S49-D51 PolarHBondContact O-N 3.39Å; D51-Q53 HydrophobicContact CB-CG 4.43Å; D51-Q53 PolarHBondContact O-N 3.12Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.47Å; D51-Q53 PolarHBondContact OD2-NE2 3.07Å
52	E	56.1	Low	62.9	Low	185 Å²	185	105 Å²	105	86%	0.864	55%	0.547	S	S	*	.			trans	-74.9	66.7	175.3	-79.1	-159	145.5	0	0	111.1
53	Q	65.2	Low	65.6	Low	55 Å²	55	96 Å²	96	26%	0.257	51%	0.514	S	S	.	.			trans	-57.1	121.8	165.6	-64.3	173.1	0.8	0	0	108	D51 H55 R60 L62	D51-Q53 HydrophobicContact CB-CG 4.43Å; D51-Q53 PolarHBondContact O-N 3.12Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.47Å; D51-Q53 PolarHBondContact OD2-NE2 3.07Å; Q53-H55 PolarHBondContact O-CE1 3.46Å; Q53-H55 PolarHBondContact O-ND1 2.98Å; Q53-H55 VanDerWaalsContact O-ND1 3.09Å; Q53-H55 PolarHBondContact O-NE2 3.19Å; Q53-H55 VanDerWaalsContact O-NE2 3.09Å; Q53-R60 HydrophobicContact CB-CG 3.87Å; Q53-L62 VanDerWaalsContact OE1-CD2 3.22Å
54	P	87.1	Confident	68.5	Low	75 Å²	75	92.2 Å²	92.2	49%	0.487	49%	0.488	S	S	.	.			trans	-64.4	140.5	-167.9	22.1	-32.1	0	0	0	111.8	L61	P54-L61 HydrophobicContact CG-CB 4.37Å; P54-L61 WeakPolarHBondContact O-CB 3.48Å; P54-L61 WeakPolarHBondContact O-CG 3.45Å; P54-L61 PolarHBondContact O-N 2.91Å
55	H	91.6	Very high	71.3	Confident	104 Å²	104	82.6 Å²	82.6	48%	0.481	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	152.6	179.8	-60	85.7	0	0	0	111.3	Q53 Y59	Q53-H55 PolarHBondContact O-CE1 3.46Å; Q53-H55 PolarHBondContact O-ND1 2.98Å; Q53-H55 VanDerWaalsContact O-ND1 3.09Å; Q53-H55 PolarHBondContact O-NE2 3.19Å; Q53-H55 VanDerWaalsContact O-NE2 3.09Å; H55-Y59 CarbonylContact C-O 3.57Å; H55-Y59 VanDerWaalsContact CA-O 3.24Å; H55-Y59 WeakPolarHBondContact CA-O 3.41Å
56	I	93.6	Very high	74	Confident	26 Å²	26	76.6 Å²	76.6	13%	0.133	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.1	167	-178.5	62.1	0	0	0	108	N58 Y59 L61 I125 Y132	I56-N58 PolarHBondContact O-N 3.15Å; I56-Y59 PolarHBondContact N-O 3.12Å; I56-Y59 WeakPolarHBondContact O-CB 3.25Å; I56-Y59 WeakPolarHBondContact O-CD2 3.29Å; I56-Y59 PolarHBondContact O-N 3.45Å; I56-L61 HydrophobicContact CG2-CD1 4.12Å; I56-L61 HydrophobicContact CG2-CD2 3.76Å; I56-L61 HydrophobicContact CG2-CG 4Å; I56-I125 HydrophobicContact CD1-CG2 4.22Å; I56-I125 HydrophobicContact CG1-CD1 4.01Å; I56-I125 HydrophobicContact CG1-CG2 4.35Å; I56-Y132 HydrophobicContact CB-CE1 4.37Å; I56-Y132 HydrophobicContact CD1-CD2 4.17Å; I56-Y132 HydrophobicContact CD1-CE1 4.4Å; I56-Y132 HydrophobicContact CD1-CE2 3.79Å; I56-Y132 HydrophobicContact CG1-CD1 3.93Å; I56-Y132 HydrophobicContact CG1-CD2 4.02Å; I56-Y132 HydrophobicContact CG1-CE1 3.93Å; I56-Y132 HydrophobicContact CG1-CE2 4Å; I56-Y132 HydrophobicContact CG1-CG 4Å; I56-Y132 HydrophobicContact CG2-CD1 4.23Å; I56-Y132 HydrophobicContact CG2-CE1 4.41Å
57	G	93.9	Very high	76.5	Confident	50 Å²	50	77.7 Å²	77.7	52%	0.515	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	-134.4	-168.9	0	0	0	0	0	111.5	Y59	G57-Y59 PolarHBondContact O-N 2.97Å
58	N	95.8	Very high	78.5	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.219	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	22.9	176.9	-66.3	-41.1	0	0	0	114.1	I56 H78 I79 D359	I56-N58 PolarHBondContact O-N 3.15Å; N58-H78 VanDerWaalsContact CB-NE2 3.33Å; N58-H78 WeakPolarHBondContact CB-NE2 3.35Å; N58-H78 CarbonylContact O-C 3.6Å; N58-H78 WeakPolarHBondContact O-CA 3.23Å; N58-H78 PolarHBondContact O-CD2 3.03Å; N58-I79 WeakPolarHBondContact O-CB 3.33Å; N58-I79 VanDerWaalsContact O-CG1 3.28Å; N58-I79 WeakPolarHBondContact O-CG1 3.32Å; N58-I79 PolarHBondContact O-N 3.19Å; N58-D359 WeakPolarHBondContact ND2-CB 3.38Å; N58-D359 PolarHBondContact ND2-OD2 2.88Å
59	Y	97.9	Very high	80.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.2	-174.9	-55.1	-88	0	0	0	113.2	H55 I56 G57 R77 H78 V85 E123 I125 V134 A362 L366	H55-Y59 CarbonylContact C-O 3.57Å; H55-Y59 VanDerWaalsContact CA-O 3.24Å; H55-Y59 WeakPolarHBondContact CA-O 3.41Å; I56-Y59 PolarHBondContact N-O 3.12Å; I56-Y59 WeakPolarHBondContact O-CB 3.25Å; I56-Y59 WeakPolarHBondContact O-CD2 3.29Å; I56-Y59 PolarHBondContact O-N 3.45Å; G57-Y59 PolarHBondContact O-N 2.97Å; Y59-R77 WeakPolarHBondContact CA-O 3.44Å; Y59-H78 HydrophobicContact CD1-CB 3.83Å; Y59-H78 AromaticContact CD1-CD2 3.8Å; Y59-H78 HydrophobicContact CE1-CB 3.64Å; Y59-H78 AromaticContact CE1-CD2 3.33Å; Y59-H78 WeakPolarHBondContact CE1-CD2 3.4Å; Y59-H78 AromaticContact CE1-CG 3.74Å; Y59-H78 AromaticContact CZ-CD2 3.47Å; Y59-H78 VanDerWaalsContact CZ-CD2 3.47Å; Y59-V85 HydrophobicContact CD1-CG2 3.6Å; Y59-V85 HydrophobicContact CE1-CG1 4.43Å; Y59-V85 HydrophobicContact CE1-CG2 3.83Å; Y59-E123 WeakPolarHBondContact CE2-OE2 3.48Å; Y59-E123 VanDerWaalsContact CZ-OE2 3.23Å; Y59-E123 PolarHBondContact OH-OE2 3.1Å; Y59-I125 HydrophobicContact CD2-CD1 4.11Å; Y59-I125 HydrophobicContact CE2-CD1 4.19Å; Y59-V134 HydrophobicContact CD1-CG1 4.2Å; Y59-V134 HydrophobicContact CD2-CG2 4.22Å; Y59-V134 HydrophobicContact CE1-CG1 3.57Å; Y59-V134 HydrophobicContact CE2-CG1 4.35Å; Y59-V134 HydrophobicContact CE2-CG2 3.88Å; Y59-A362 WeakPolarHBondContact OH-CB 3.4Å; Y59-L366 HydrophobicContact CE1-CD1 4.29Å
60	R	96.8	Very high	82.3	Confident	110 Å²	110	73 Å²	73	42%	0.415	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.7	166.7	-172.4	178.2	-58	179.4	3.1	109.8	Q53 L62 A76 R77	Q53-R60 HydrophobicContact CB-CG 3.87Å; R60-L62 HydrophobicContact CG-CD2 4.35Å; R60-A76 CarbonylContact O-C 3.57Å; R60-A76 WeakPolarHBondContact O-CA 3.47Å; R60-A76 VanDerWaalsContact O-CB 3.3Å; R60-A76 WeakPolarHBondContact O-CB 3.41Å; R60-R77 PolarHBondContact N-O 2.72Å; R60-R77 PolarHBondContact O-N 2.78Å
61	L	95.8	Very high	84.5	Confident	14 Å²	14	67 Å²	67	7%	0.073	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.5	179.4	-59.6	177.8	0	0	0	110.8	P54 I56 K74 A76 V87 I89	P54-L61 HydrophobicContact CG-CB 4.37Å; P54-L61 WeakPolarHBondContact O-CB 3.48Å; P54-L61 WeakPolarHBondContact O-CG 3.45Å; P54-L61 PolarHBondContact O-N 2.91Å; I56-L61 HydrophobicContact CG2-CD1 4.12Å; I56-L61 HydrophobicContact CG2-CD2 3.76Å; I56-L61 HydrophobicContact CG2-CG 4Å; L61-K74 HydrophobicContact CB-CD 4.27Å; L61-K74 HydrophobicContact CD1-CD 4.24Å; L61-A76 HydrophobicContact CD2-CB 3.89Å; L61-V87 HydrophobicContact CD2-CB 4.2Å; L61-V87 HydrophobicContact CD2-CG1 4.38Å; L61-V87 HydrophobicContact CD2-CG2 4.09Å; L61-I89 HydrophobicContact CD1-CD1 4.3Å
62	L	93.6	Very high	86.7	Confident	42 Å²	42	66.5 Å²	66.5	22%	0.22	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-143.5	177.1	-51.3	179.6	0	0	0	109.4	Q53 R60 K74 L75 R77	Q53-L62 VanDerWaalsContact OE1-CD2 3.22Å; R60-L62 HydrophobicContact CG-CD2 4.35Å; L62-K74 PolarHBondContact O-NZ 3.13Å; L62-L75 CarbonylContact C-O 3.51Å; L62-L75 WeakPolarHBondContact CA-O 3.41Å; L62-L75 HydrophobicContact CB-CB 4.38Å; L62-L75 HydrophobicContact CB-CG 4.39Å; L62-L75 WeakPolarHBondContact CB-O 3.3Å; L62-L75 HydrophobicContact CD1-CD2 4.23Å; L62-L75 HydrophobicContact CD1-CG 4.2Å; L62-L75 PolarHBondContact N-O 3.18Å; L62-R77 HydrophobicContact CD1-CB 4.47Å
63	K	90.3	Very high	88.6	Confident	56 Å²	56	59.3 Å²	59.3	24%	0.243	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	153.1	-175.8	70	177.8	-172.8	165.4	0	114.3	I65 K74 L75 E737	K63-I65 HydrophobicContact CG-CG2 4.28Å; K63-K74 WeakPolarHBondContact O-CA 3.4Å; K63-L75 PolarHBondContact O-N 3.25Å; K63-E737 WeakPolarHBondContact CD-OE1 3.41Å; K63-E737 WeakPolarHBondContact CE-OE1 3.48Å; K63-E737 IonicContact NZ-OE1 3.57Å; K63-E737 PolarHBondContact NZ-OE1 2.9Å; K63-E737 IonicContact NZ-OE2 3.62Å; K63-E737 PolarHBondContact NZ-OE2 3.04Å
64	T	91.4	Very high	90	Very high	45 Å²	45	58.6 Å²	58.6	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.2	171	-53.9	0	0	0	0	108.7	K72	T64-K72 HydrophobicContact CG2-CD 4.17Å; T64-K72 HydrophobicContact CG2-CG 3.74Å
65	I	89.7	Confident	90.4	Very high	23 Å²	23	55.7 Å²	55.7	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-9	-179.1	58.3	174.2	0	0	0	113.6	K63 V73 L75 A86 Y137	K63-I65 HydrophobicContact CG-CG2 4.28Å; I65-V73 HydrophobicContact CD1-CG1 4Å; I65-V73 HydrophobicContact CG1-CB 4.23Å; I65-V73 HydrophobicContact CG1-CG1 3.82Å; I65-V73 PolarHBondContact N-O 3.39Å; I65-L75 HydrophobicContact CD1-CB 4.33Å; I65-L75 HydrophobicContact CG2-CB 3.78Å; I65-A86 HydrophobicContact CD1-CB 4.06Å; I65-Y137 HydrophobicContact CD1-CD2 3.81Å; I65-Y137 HydrophobicContact CD1-CE2 3.74Å
66	G	87.2	Confident	90.7	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	148.8	171.3	0	0	0	0	0	111.3	V73 I756	G66-V73 PolarHBondContact N-O 3.35Å; G66-V73 PolarHBondContact O-N 3.21Å; G66-I756 CarbonylContact C-O 3.52Å; G66-I756 WeakPolarHBondContact CA-O 3.42Å
67	K	85	Confident	90.8	Very high	112 Å²	112	53.7 Å²	53.7	49%	0.487	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	115.8	179.2	178.6	-172.8	171.4	-165.8	0	110	I756 S757	K67-I756 PolarHBondContact N-O 3.22Å; K67-S757 WeakPolarHBondContact O-CB 2.98Å
68	G	76.6	Confident	91	Very high	47 Å²	47	51.3 Å²	51.3	49%	0.485	26%	0.26	S	S	.	.			trans	-110.5	-173.3	172.3	0	0	0	0	0	112.1	A71	G68-A71 PolarHBondContact N-O 3.08Å
69	N	75.1	Confident	91	Very high	148 Å²	148	53.6 Å²	53.6	79%	0.791	27%	0.272	S	S	*	.	S	Bend	trans	-67.8	-37.7	-175.3	-67.1	-17.8	0	0	0	113.7
70	F	78.4	Confident	90.8	Very high	123 Å²	123	56.7 Å²	56.7	54%	0.539	29%	0.288	S	S	.	.	S	Bend	trans	-118.7	-1	-174.1	-51.3	-68.6	0	0	0	113.5	L95	F70-L95 HydrophobicContact CB-CD2 4.31Å; F70-L95 HydrophobicContact CD1-CD2 4.44Å
71	A	88.1	Confident	90.7	Very high	23 Å²	23	52.4 Å²	52.4	19%	0.19	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.2	-173.5	0	0	0	0	0	111.7	G68 K88 I89 I90	G68-A71 PolarHBondContact N-O 3.08Å; A71-K88 HydrophobicContact CB-CG 4.11Å; A71-I89 VanDerWaalsContact CA-O 3.3Å; A71-I89 WeakPolarHBondContact CA-O 3.47Å; A71-I90 HydrophobicContact CB-CG1 3.97Å
72	K	92.6	Very high	90.6	Very high	99 Å²	99	53.2 Å²	53.2	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	171.8	-174.4	-174.7	-62.1	172.9	0	108.7	T64 I89	T64-K72 HydrophobicContact CG2-CD 4.17Å; T64-K72 HydrophobicContact CG2-CG 3.74Å; K72-I89 PolarHBondContact N-O 2.9Å; K72-I89 WeakPolarHBondContact O-CB 3.42Å; K72-I89 PolarHBondContact O-N 3.02Å
73	V	94.3	Very high	90.6	Very high	34 Å²	34	52.8 Å²	52.8	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.6	177.2	-169	0	0	0	0	109.2	I65 G66 A86 V87 K88	I65-V73 HydrophobicContact CD1-CG1 4Å; I65-V73 HydrophobicContact CG1-CB 4.23Å; I65-V73 HydrophobicContact CG1-CG1 3.82Å; I65-V73 PolarHBondContact N-O 3.39Å; G66-V73 PolarHBondContact N-O 3.35Å; G66-V73 PolarHBondContact O-N 3.21Å; V73-A86 HydrophobicContact CG1-CB 4.1Å; V73-V87 WeakPolarHBondContact CA-O 3.44Å; V73-K88 HydrophobicContact CG2-CB 4.26Å; V73-K88 HydrophobicContact CG2-CG 4.26Å
74	K	95.8	Very high	90.8	Very high	39 Å²	39	53.7 Å²	53.7	17%	0.17	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.2	174.8	-85	172.8	154.8	-84.4	0	110.5	L61 L62 K63 V87 I89	L61-K74 HydrophobicContact CB-CD 4.27Å; L61-K74 HydrophobicContact CD1-CD 4.24Å; L62-K74 PolarHBondContact O-NZ 3.13Å; K63-K74 WeakPolarHBondContact O-CA 3.4Å; K74-V87 PolarHBondContact N-O 3.08Å; K74-V87 PolarHBondContact O-N 2.93Å; K74-I89 HydrophobicContact CD-CD1 3.84Å; K74-I89 HydrophobicContact CG-CD1 4.48Å
75	L	95.8	Very high	91.1	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.1	159.1	179.6	63.2	0	0	0	107.4	L62 K63 I65 E84 Y137	L62-L75 CarbonylContact C-O 3.51Å; L62-L75 WeakPolarHBondContact CA-O 3.41Å; L62-L75 HydrophobicContact CB-CB 4.38Å; L62-L75 HydrophobicContact CB-CG 4.39Å; L62-L75 WeakPolarHBondContact CB-O 3.3Å; L62-L75 HydrophobicContact CD1-CD2 4.23Å; L62-L75 HydrophobicContact CD1-CG 4.2Å; L62-L75 PolarHBondContact N-O 3.18Å; K63-L75 PolarHBondContact O-N 3.25Å; I65-L75 HydrophobicContact CD1-CB 4.33Å; I65-L75 HydrophobicContact CG2-CB 3.78Å; L75-E84 HydrophobicContact CD1-CB 4.13Å; L75-Y137 HydrophobicContact CD1-CD1 3.51Å; L75-Y137 HydrophobicContact CD1-CD2 4.07Å; L75-Y137 HydrophobicContact CD1-CE1 3.52Å; L75-Y137 HydrophobicContact CD1-CE2 4.11Å; L75-Y137 HydrophobicContact CD1-CG 3.79Å; L75-Y137 HydrophobicContact CD2-CE1 4.47Å
76	A	97.2	Very high	91.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.5	173.4	0	0	0	0	0	110.5	R60 L61 E84 V85 V87	R60-A76 CarbonylContact O-C 3.57Å; R60-A76 WeakPolarHBondContact O-CA 3.47Å; R60-A76 VanDerWaalsContact O-CB 3.3Å; R60-A76 WeakPolarHBondContact O-CB 3.41Å; L61-A76 HydrophobicContact CD2-CB 3.89Å; A76-E84 WeakPolarHBondContact O-CA 3.26Å; A76-V85 HydrophobicContact CB-CG2 3.95Å; A76-V85 PolarHBondContact N-O 3.24Å; A76-V85 PolarHBondContact O-N 3.13Å; A76-V87 HydrophobicContact CB-CG2 3.61Å
77	R	96.8	Very high	91.9	Very high	88 Å²	88	49.9 Å²	49.9	33%	0.332	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.4	171.3	-168.2	176.5	-58.9	-72.3	-6.6	109.7	Y59 R60 L62 I79 G82 R83 E84	Y59-R77 WeakPolarHBondContact CA-O 3.44Å; R60-R77 PolarHBondContact N-O 2.72Å; R60-R77 PolarHBondContact O-N 2.78Å; L62-R77 HydrophobicContact CD1-CB 4.47Å; R77-I79 PolarHBondContact O-N 2.82Å; R77-G82 WeakPolarHBondContact CD-O 3.27Å; R77-G82 VanDerWaalsContact CG-O 3.31Å; R77-G82 WeakPolarHBondContact CG-O 3.42Å; R77-G82 PolarHBondContact NH1-O 3.1Å; R77-R83 CarbonylContact C-O 3.59Å; R77-R83 WeakPolarHBondContact CA-O 3.24Å; R77-E84 IonicContact CZ-OE1 3.08Å; R77-E84 IonicContact NH1-OE1 2.72Å; R77-E84 PolarHBondContact NH1-OE1 3.04Å; R77-E84 IonicContact NH2-OE1 2.78Å; R77-E84 PolarHBondContact NH2-OE1 3Å
78	H	97.1	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.3	170.1	-172.1	-124.3	0	0	0	109.3	N58 Y59 T81 G82 R83 T363 L366	N58-H78 VanDerWaalsContact CB-NE2 3.33Å; N58-H78 WeakPolarHBondContact CB-NE2 3.35Å; N58-H78 CarbonylContact O-C 3.6Å; N58-H78 WeakPolarHBondContact O-CA 3.23Å; N58-H78 PolarHBondContact O-CD2 3.03Å; Y59-H78 HydrophobicContact CD1-CB 3.83Å; Y59-H78 AromaticContact CD1-CD2 3.8Å; Y59-H78 HydrophobicContact CE1-CB 3.64Å; Y59-H78 AromaticContact CE1-CD2 3.33Å; Y59-H78 WeakPolarHBondContact CE1-CD2 3.4Å; Y59-H78 AromaticContact CE1-CG 3.74Å; Y59-H78 AromaticContact CZ-CD2 3.47Å; Y59-H78 VanDerWaalsContact CZ-CD2 3.47Å; H78-T81 PolarHBondContact ND1-OG1 3.34Å; H78-G82 WeakPolarHBondContact O-CA 3.22Å; H78-G82 PolarHBondContact O-N 3.38Å; H78-R83 PolarHBondContact N-O 3.04Å; H78-T363 PolarHBondContact CE1-OG1 3.07Å; H78-L366 HydrophobicContact CB-CD1 3.84Å
79	I	95.4	Very high	93.3	Very high	88 Å²	88	44.6 Å²	44.6	45%	0.451	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-46.3	-170.2	-62.9	165.8	0	0	0	110.5	N58 R77	N58-I79 WeakPolarHBondContact O-CB 3.33Å; N58-I79 VanDerWaalsContact O-CG1 3.28Å; N58-I79 WeakPolarHBondContact O-CG1 3.32Å; N58-I79 PolarHBondContact O-N 3.19Å; R77-I79 PolarHBondContact O-N 2.82Å
80	L	93.6	Very high	94.2	Very high	66 Å²	66	38 Å²	38	35%	0.346	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-33.4	-172.3	-53.8	176.2	0	0	0	113.2	F343	L80-F343 HydrophobicContact CD1-CE2 3.84Å; L80-F343 HydrophobicContact CD1-CZ 3.69Å
81	T	94.6	Very high	94.9	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.117	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-2.9	-174.4	65.6	0	0	0	0	113.8	H78 R83 T363 L366 L367	H78-T81 PolarHBondContact ND1-OG1 3.34Å; T81-R83 VanDerWaalsContact O-CD 3.23Å; T81-R83 WeakPolarHBondContact O-CD 3.27Å; T81-R83 WeakPolarHBondContact O-CG 3.18Å; T81-R83 PolarHBondContact O-N 2.72Å; T81-R83 VanDerWaalsContact O-N 3.13Å; T81-R83 PolarHBondContact O-NE 3.01Å; T81-R83 WeakPolarHBondContact OG1-CG 3.37Å; T81-T363 HydrophobicContact CG2-CG2 4.04Å; T81-L366 HydrophobicContact CG2-CB 4.37Å; T81-L367 HydrophobicContact CG2-CD2 3.69Å; T81-L367 HydrophobicContact CG2-CG 3.82Å
82	G	93.4	Very high	95.1	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	18%	0.175	S	C	.	.			trans	67.1	3.4	-178.6	0	0	0	0	0	115.5	R77 H78	R77-G82 WeakPolarHBondContact CD-O 3.27Å; R77-G82 VanDerWaalsContact CG-O 3.31Å; R77-G82 WeakPolarHBondContact CG-O 3.42Å; R77-G82 PolarHBondContact NH1-O 3.1Å; H78-G82 WeakPolarHBondContact O-CA 3.22Å; H78-G82 PolarHBondContact O-N 3.38Å
83	R	93.7	Very high	95	Very high	33 Å²	33	34.9 Å²	34.9	13%	0.125	18%	0.183	C	C	.	.			trans	-81.7	146.4	-168.5	-55.6	-42.5	-178.6	76.5	8.3	113.2	R77 H78 T81 L366 R369 K370 A371	R77-R83 CarbonylContact C-O 3.59Å; R77-R83 WeakPolarHBondContact CA-O 3.24Å; H78-R83 PolarHBondContact N-O 3.04Å; T81-R83 VanDerWaalsContact O-CD 3.23Å; T81-R83 WeakPolarHBondContact O-CD 3.27Å; T81-R83 WeakPolarHBondContact O-CG 3.18Å; T81-R83 PolarHBondContact O-N 2.72Å; T81-R83 VanDerWaalsContact O-N 3.13Å; T81-R83 PolarHBondContact O-NE 3.01Å; T81-R83 WeakPolarHBondContact OG1-CG 3.37Å; R83-L366 HydrophobicContact CB-CD2 4.25Å; R83-L366 HydrophobicContact CG-CB 4.43Å; R83-L366 PolarHBondContact NH1-O 3.3Å; R83-R369 VanDerWaalsContact CZ-O 3.27Å; R83-R369 PolarHBondContact NH1-O 3.41Å; R83-R369 PolarHBondContact NH2-O 3.21Å; R83-K370 PolarHBondContact NH1-O 2.76Å; R83-A371 VanDerWaalsContact CZ-CA 3.5Å
84	E	95.8	Very high	94.7	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.1	175.9	-64.1	-172.6	173.4	0	0	111.1	L75 A76 R77 Y137	L75-E84 HydrophobicContact CD1-CB 4.13Å; A76-E84 WeakPolarHBondContact O-CA 3.26Å; R77-E84 IonicContact CZ-OE1 3.08Å; R77-E84 IonicContact NH1-OE1 2.72Å; R77-E84 PolarHBondContact NH1-OE1 3.04Å; R77-E84 IonicContact NH2-OE1 2.78Å; R77-E84 PolarHBondContact NH2-OE1 3Å; E84-Y137 HydrophobicContact CB-CD1 4.08Å
85	V	97	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.5	-177.4	-61.3	0	0	0	0	110.3	Y59 A76 V87 F122 V134 M135 L366	Y59-V85 HydrophobicContact CD1-CG2 3.6Å; Y59-V85 HydrophobicContact CE1-CG1 4.43Å; Y59-V85 HydrophobicContact CE1-CG2 3.83Å; A76-V85 HydrophobicContact CB-CG2 3.95Å; A76-V85 PolarHBondContact N-O 3.24Å; A76-V85 PolarHBondContact O-N 3.13Å; V85-V87 HydrophobicContact CG2-CG2 4.2Å; V85-F122 HydrophobicContact CG1-CD2 4.01Å; V85-F122 HydrophobicContact CG1-CE2 4.02Å; V85-V134 HydrophobicContact CB-CG1 3.84Å; V85-V134 HydrophobicContact CG1-CG1 4.17Å; V85-V134 HydrophobicContact CG2-CG1 3.69Å; V85-M135 WeakPolarHBondContact CA-O 3.34Å; V85-M135 WeakPolarHBondContact CB-O 3.46Å; V85-L366 HydrophobicContact CG1-CD1 4.32Å; V85-L366 HydrophobicContact CG1-CD2 3.74Å
86	A	97.2	Very high	93.9	Very high	7 Å²	7	42.1 Å²	42.1	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.7	172.3	0	0	0	0	0	109.6	I65 V73 M135	I65-A86 HydrophobicContact CD1-CB 4.06Å; V73-A86 HydrophobicContact CG1-CB 4.1Å; A86-M135 HydrophobicContact CB-CE 4.4Å; A86-M135 PolarHBondContact N-O 2.82Å; A86-M135 WeakPolarHBondContact O-CB 3.36Å; A86-M135 PolarHBondContact O-N 2.93Å
87	V	97.5	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.1	179.5	-174.1	0	0	0	0	109.1	L61 V73 K74 A76 V85 I89 Y132 L133 V134	L61-V87 HydrophobicContact CD2-CB 4.2Å; L61-V87 HydrophobicContact CD2-CG1 4.38Å; L61-V87 HydrophobicContact CD2-CG2 4.09Å; V73-V87 WeakPolarHBondContact CA-O 3.44Å; K74-V87 PolarHBondContact N-O 3.08Å; K74-V87 PolarHBondContact O-N 2.93Å; A76-V87 HydrophobicContact CB-CG2 3.61Å; V85-V87 HydrophobicContact CG2-CG2 4.2Å; V87-I89 HydrophobicContact CG1-CG1 4.06Å; V87-Y132 HydrophobicContact CG1-CD1 4Å; V87-L133 WeakPolarHBondContact CA-O 3.31Å; V87-V134 HydrophobicContact CG2-CG1 4.49Å; V87-V134 HydrophobicContact CG2-CG2 4.36Å
88	K	95.7	Very high	92.9	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110.2	173	-177.8	176.2	172.7	-179.2	0	108.3	A71 V73 I90 E106 Y132 L133 M135 D199	A71-K88 HydrophobicContact CB-CG 4.11Å; V73-K88 HydrophobicContact CG2-CB 4.26Å; V73-K88 HydrophobicContact CG2-CG 4.26Å; K88-I90 HydrophobicContact CD-CD1 4.26Å; K88-I90 HydrophobicContact CG-CD1 4.06Å; K88-I90 HydrophobicContact CG-CG1 4.07Å; K88-E106 VanDerWaalsContact NZ-CD 3.32Å; K88-E106 IonicContact NZ-OE1 2.96Å; K88-E106 PolarHBondContact NZ-OE1 2.8Å; K88-E106 IonicContact NZ-OE2 3.41Å; K88-E106 PolarHBondContact NZ-OE2 3.46Å; K88-Y132 WeakPolarHBondContact O-CA 3.21Å; K88-L133 HydrophobicContact CB-CB 4.34Å; K88-L133 PolarHBondContact N-O 3.49Å; K88-L133 PolarHBondContact O-N 2.96Å; K88-M135 HydrophobicContact CB-CE 3.67Å; K88-M135 HydrophobicContact CB-SD 4.38Å; K88-M135 HydrophobicContact CD-CE 4.49Å; K88-D199 IonicContact NZ-OD1 3.88Å; K88-D199 PolarHBondContact NZ-OD1 3.26Å
89	I	95.4	Very high	92.3	Very high	32 Å²	32	48.1 Å²	48.1	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.4	-176.5	-49.2	-179.1	0	0	0	108.8	L61 A71 K72 K74 V87 T130 Y132	L61-I89 HydrophobicContact CD1-CD1 4.3Å; A71-I89 VanDerWaalsContact CA-O 3.3Å; A71-I89 WeakPolarHBondContact CA-O 3.47Å; K72-I89 PolarHBondContact N-O 2.9Å; K72-I89 WeakPolarHBondContact O-CB 3.42Å; K72-I89 PolarHBondContact O-N 3.02Å; K74-I89 HydrophobicContact CD-CD1 3.84Å; K74-I89 HydrophobicContact CG-CD1 4.48Å; V87-I89 HydrophobicContact CG1-CG1 4.06Å; I89-T130 HydrophobicContact CG2-CG2 3.61Å; I89-Y132 HydrophobicContact CB-CD1 4.31Å; I89-Y132 HydrophobicContact CB-CE1 4.38Å; I89-Y132 HydrophobicContact CD1-CD1 4.32Å; I89-Y132 HydrophobicContact CD1-CE1 4.11Å; I89-Y132 HydrophobicContact CG1-CD1 3.81Å; I89-Y132 HydrophobicContact CG1-CE1 4.01Å; I89-Y132 HydrophobicContact CG2-CD1 4.01Å; I89-Y132 HydrophobicContact CG2-CE1 3.67Å
90	I	94.1	Very high	91.9	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120	-171.1	-55.3	166.7	0	0	0	109	A71 K88 K92 L95 L103 T130 L131 L133	A71-I90 HydrophobicContact CB-CG1 3.97Å; K88-I90 HydrophobicContact CD-CD1 4.26Å; K88-I90 HydrophobicContact CG-CD1 4.06Å; K88-I90 HydrophobicContact CG-CG1 4.07Å; I90-K92 PolarHBondContact O-N 3.36Å; I90-L95 HydrophobicContact CG2-CD1 4.05Å; I90-L103 HydrophobicContact CD1-CD1 3.45Å; I90-L103 VanDerWaalsContact CD1-CD1 3.45Å; I90-L103 HydrophobicContact CD1-CD2 4.44Å; I90-L103 HydrophobicContact CG2-CD2 3.81Å; I90-T130 CarbonylContact O-C 3.51Å; I90-T130 WeakPolarHBondContact O-CA 3.28Å; I90-T130 WeakPolarHBondContact O-CG2 3.22Å; I90-L131 PolarHBondContact N-O 2.72Å; I90-L131 PolarHBondContact O-N 2.84Å; I90-L133 HydrophobicContact CD1-CD1 4.15Å; I90-L133 HydrophobicContact CD1-CG 4.42Å
91	D	92.6	Very high	91.6	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.262	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.6	178.2	-177.5	-12.4	0	0	0	110	T93 Q94	D91-T93 PolarHBondContact O-N 3.41Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 2.97Å; D91-T93 PolarHBondContact OD2-OG1 3.49Å; D91-Q94 HydrophobicContact CB-CG 4.37Å; D91-Q94 PolarHBondContact O-N 3.33Å; D91-Q94 PolarHBondContact OD2-NE2 3.29Å
92	K	92.1	Very high	91.2	Very high	37 Å²	37	52.5 Å²	52.5	16%	0.161	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.8	-26.9	-179.6	-65.9	-170.1	-71	171.3	0	112.1	I90 Q94 L95 L100 E126 T127 E128 K129 L131	I90-K92 PolarHBondContact O-N 3.36Å; K92-Q94 PolarHBondContact O-N 3.16Å; K92-L95 PolarHBondContact O-N 3.44Å; K92-L100 HydrophobicContact CB-CD1 4.5Å; K92-L100 HydrophobicContact CD-CD1 4.26Å; K92-L100 HydrophobicContact CG-CD1 4.25Å; K92-E126 IonicContact NZ-OE1 3.79Å; K92-E126 PolarHBondContact NZ-OE1 2.83Å; K92-T127 WeakPolarHBondContact CE-O 3.3Å; K92-T127 PolarHBondContact NZ-O 2.82Å; K92-E128 WeakPolarHBondContact CE-O 3.24Å; K92-E128 PolarHBondContact NZ-O 3Å; K92-K129 WeakPolarHBondContact CB-O 3.44Å; K92-K129 PolarHBondContact N-O 3.48Å; K92-L131 HydrophobicContact CG-CB 4.44Å
93	T	90.9	Very high	91	Very high	95 Å²	95	51.4 Å²	51.4	58%	0.583	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-70	-21.3	-177.4	73.7	0	0	0	0	113	D91 K129	D91-T93 PolarHBondContact O-N 3.41Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 PolarHBondContact OD1-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 2.97Å; D91-T93 PolarHBondContact OD2-OG1 3.49Å; T93-K129 HydrophobicContact CG2-CB 3.9Å; T93-K129 HydrophobicContact CG2-CD 4.47Å; T93-K129 HydrophobicContact CG2-CG 3.89Å
94	Q	86.8	Confident	90.8	Very high	129 Å²	129	54.5 Å²	54.5	60%	0.603	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-90.3	-5.1	177.3	-61.7	-175.3	49.4	0	0	113.3	D91 K92	D91-Q94 HydrophobicContact CB-CG 4.37Å; D91-Q94 PolarHBondContact O-N 3.33Å; D91-Q94 PolarHBondContact OD2-NE2 3.29Å; K92-Q94 PolarHBondContact O-N 3.16Å
95	L	86.5	Confident	90.6	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.157	28%	0.278	C	S	.	.			trans	-93.1	135.5	-178.2	-57.2	-176.7	0	0	0	111.6	F70 I90 K92 L100 L103	F70-L95 HydrophobicContact CB-CD2 4.31Å; F70-L95 HydrophobicContact CD1-CD2 4.44Å; I90-L95 HydrophobicContact CG2-CD1 4.05Å; K92-L95 PolarHBondContact O-N 3.44Å; L95-L100 HydrophobicContact CD1-CD1 4.24Å; L95-L103 HydrophobicContact CD1-CD2 3.74Å
96	N	87.9	Confident	90.3	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	28%	0.28	S	S	.	.			trans	-77	163	164.6	64.1	56.9	0	0	0	110.4	T98 S99 L100	N96-T98 VanDerWaalsContact C-N 3.26Å; N96-T98 PolarHBondContact O-N 3.29Å; N96-T98 VanDerWaalsContact O-N 3.15Å; N96-T98 WeakPolarHBondContact OD1-CB 3.48Å; N96-T98 PolarHBondContact OD1-N 2.86Å; N96-S99 PolarHBondContact ND2-OG 3.08Å; N96-S99 PolarHBondContact O-N 2.88Å; N96-S99 PolarHBondContact OD1-N 3.23Å; N96-S99 PolarHBondContact OD1-OG 3.48Å; N96-L100 PolarHBondContact O-N 3.21Å
97	P	87.8	Confident	90.2	Very high	102 Å²	102	54.5 Å²	54.5	66%	0.662	28%	0.282	S	S	*	.	H	α-helix	trans	-53.8	-37.6	-177.1	-29.9	36.9	0	0	0	114.5	L100 Q101	P97-L100 PolarHBondContact O-N 2.9Å; P97-Q101 WeakPolarHBondContact O-CG 3.33Å; P97-Q101 PolarHBondContact O-N 2.89Å
98	T	85.9	Confident	90	Very high	80 Å²	80	60.7 Å²	60.7	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-38.2	177.1	-47.7	0	0	0	0	112.4	N96 K102	N96-T98 VanDerWaalsContact C-N 3.26Å; N96-T98 PolarHBondContact O-N 3.29Å; N96-T98 VanDerWaalsContact O-N 3.15Å; N96-T98 WeakPolarHBondContact OD1-CB 3.48Å; N96-T98 PolarHBondContact OD1-N 2.86Å; T98-K102 WeakPolarHBondContact O-CG 3.47Å; T98-K102 PolarHBondContact O-N 2.97Å; T98-K102 VanDerWaalsContact O-N 3.07Å
99	S	85	Confident	90	Very high	32 Å²	32	60 Å²	60	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-34.5	174	-64.1	0	0	0	0	112	N96 K102 L103	N96-S99 PolarHBondContact ND2-OG 3.08Å; N96-S99 PolarHBondContact O-N 2.88Å; N96-S99 PolarHBondContact OD1-N 3.23Å; N96-S99 PolarHBondContact OD1-OG 3.48Å; S99-K102 PolarHBondContact O-N 3.19Å; S99-L103 PolarHBondContact O-N 3.18Å
100	L	86.9	Confident	90	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-40.3	174.3	-168.2	68.9	0	0	0	111.7	K92 L95 N96 P97 L103 F104	K92-L100 HydrophobicContact CB-CD1 4.5Å; K92-L100 HydrophobicContact CD-CD1 4.26Å; K92-L100 HydrophobicContact CG-CD1 4.25Å; L95-L100 HydrophobicContact CD1-CD1 4.24Å; N96-L100 PolarHBondContact O-N 3.21Å; P97-L100 PolarHBondContact O-N 2.9Å; L100-L103 HydrophobicContact CD1-CD2 4.43Å; L100-L103 WeakPolarHBondContact O-CB 3.2Å; L100-L103 PolarHBondContact O-N 3.24Å; L100-F104 HydrophobicContact CD1-CE2 4.03Å; L100-F104 HydrophobicContact CD1-CZ 4.49Å; L100-F104 HydrophobicContact CD2-CE2 4.08Å; L100-F104 HydrophobicContact CG-CD2 4.11Å; L100-F104 HydrophobicContact CG-CE2 3.68Å; L100-F104 VanDerWaalsContact O-CD2 3.29Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.46Å
101	Q	86.8	Confident	90	Very high	139 Å²	139	61.6 Å²	61.6	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-61.2	-42.2	170.7	-75.3	176.7	-13.8	0	0	112.5	P97 L103 F104 R105	P97-Q101 WeakPolarHBondContact O-CG 3.33Å; P97-Q101 PolarHBondContact O-N 2.89Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 2.84Å; Q101-F104 PolarHBondContact O-N 3.17Å; Q101-R105 PolarHBondContact O-N 2.71Å
102	K	85.7	Confident	90.1	Very high	73 Å²	73	63.3 Å²	63.3	32%	0.317	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-39.8	173.7	-72.4	170.1	-176.1	175.2	0	111.5	T98 S99 R105 E106	T98-K102 WeakPolarHBondContact O-CG 3.47Å; T98-K102 PolarHBondContact O-N 2.97Å; T98-K102 VanDerWaalsContact O-N 3.07Å; S99-K102 PolarHBondContact O-N 3.19Å; K102-R105 PolarHBondContact O-N 3.2Å; K102-E106 PolarHBondContact O-N 2.96Å
103	L	88.8	Confident	90.2	Very high	9 Å²	9	61.9 Å²	61.9	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-48.7	177.3	178.5	57.8	0	0	0	112.4	I90 L95 S99 L100 Q101 R105 E106 V107 L131	I90-L103 HydrophobicContact CD1-CD1 3.45Å; I90-L103 VanDerWaalsContact CD1-CD1 3.45Å; I90-L103 HydrophobicContact CD1-CD2 4.44Å; I90-L103 HydrophobicContact CG2-CD2 3.81Å; L95-L103 HydrophobicContact CD1-CD2 3.74Å; S99-L103 PolarHBondContact O-N 3.18Å; L100-L103 HydrophobicContact CD1-CD2 4.43Å; L100-L103 WeakPolarHBondContact O-CB 3.2Å; L100-L103 PolarHBondContact O-N 3.24Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 2.84Å; L103-R105 PolarHBondContact O-N 3.47Å; L103-E106 WeakPolarHBondContact O-CB 3.27Å; L103-E106 PolarHBondContact O-N 3.1Å; L103-E106 VanDerWaalsContact O-N 3.08Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3.33Å; L103-L131 HydrophobicContact CD1-CD2 3.98Å; L103-L131 HydrophobicContact CD2-CB 4.42Å; L103-L131 HydrophobicContact CD2-CD2 3.68Å; L103-L131 HydrophobicContact CG-CD2 3.78Å
104	F	89.8	Confident	90.4	Very high	97 Å²	97	59.1 Å²	59.1	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-32.8	176	-72.2	-58	0	0	0	112.3	L100 Q101 R108	L100-F104 HydrophobicContact CD1-CE2 4.03Å; L100-F104 HydrophobicContact CD1-CZ 4.49Å; L100-F104 HydrophobicContact CD2-CE2 4.08Å; L100-F104 HydrophobicContact CG-CD2 4.11Å; L100-F104 HydrophobicContact CG-CE2 3.68Å; L100-F104 VanDerWaalsContact O-CD2 3.29Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.46Å; Q101-F104 PolarHBondContact O-N 3.17Å; F104-R108 WeakPolarHBondContact O-CB 3.43Å; F104-R108 PolarHBondContact O-N 2.85Å
105	R	91.6	Very high	90.9	Very high	58 Å²	58	53.4 Å²	53.4	22%	0.219	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-40.1	170.8	-169.7	178.9	66.2	-139.5	-4.3	112.6	Q101 K102 L103 R108 I109 S203 N204	Q101-R105 PolarHBondContact O-N 2.71Å; K102-R105 PolarHBondContact O-N 3.2Å; L103-R105 PolarHBondContact O-N 3.47Å; R105-R108 PolarHBondContact O-N 3.33Å; R105-I109 HydrophobicContact CG-CD1 3.87Å; R105-I109 HydrophobicContact CG-CG1 4.32Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.27Å; R105-I109 PolarHBondContact O-N 2.73Å; R105-S203 PolarHBondContact NE-O 3.45Å; R105-S203 PolarHBondContact NH2-O 2.82Å; R105-N204 WeakPolarHBondContact CD-OD1 3.33Å; R105-N204 PolarHBondContact NE-OD1 3.48Å; R105-N204 VanDerWaalsContact NE-OD1 3.13Å; R105-N204 PolarHBondContact NH1-OD1 2.86Å
106	E	91.8	Very high	91.4	Very high	11 Å²	11	55.1 Å²	55.1	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-49.4	173	-179.5	178.4	-175.3	0	0	110.4	K88 K102 L103 R108 I109 M110 F200 G201	K88-E106 VanDerWaalsContact NZ-CD 3.32Å; K88-E106 IonicContact NZ-OE1 2.96Å; K88-E106 PolarHBondContact NZ-OE1 2.8Å; K88-E106 IonicContact NZ-OE2 3.41Å; K88-E106 PolarHBondContact NZ-OE2 3.46Å; K102-E106 PolarHBondContact O-N 2.96Å; L103-E106 WeakPolarHBondContact O-CB 3.27Å; L103-E106 PolarHBondContact O-N 3.1Å; L103-E106 VanDerWaalsContact O-N 3.08Å; E106-R108 PolarHBondContact O-N 2.97Å; E106-I109 PolarHBondContact O-N 2.84Å; E106-M110 HydrophobicContact CG-CG 4.46Å; E106-M110 HydrophobicContact CG-SD 4.07Å; E106-M110 WeakPolarHBondContact O-CB 3.5Å; E106-M110 VanDerWaalsContact O-CG 3.31Å; E106-M110 WeakPolarHBondContact O-CG 3.33Å; E106-M110 PolarHBondContact O-N 3.48Å; E106-F200 HydrophobicContact CG-CB 4.21Å; E106-G201 VanDerWaalsContact OE2-CA 3.31Å; E106-G201 WeakPolarHBondContact OE2-CA 3.41Å
107	V	93.9	Very high	91.9	Very high	15 Å²	15	52.1 Å²	52.1	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-48.9	176.9	177.8	0	0	0	0	111.6	L103 I109 M110 K111 V124 L131 L133	L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3.33Å; V107-I109 PolarHBondContact O-N 3.46Å; V107-M110 PolarHBondContact O-N 3.29Å; V107-K111 WeakPolarHBondContact O-CG 3.15Å; V107-K111 PolarHBondContact O-N 3.33Å; V107-V124 HydrophobicContact CG1-CG1 4.41Å; V107-V124 HydrophobicContact CG1-CG2 3.9Å; V107-L131 HydrophobicContact CG2-CD2 3.98Å; V107-L133 HydrophobicContact CG2-CD1 4.2Å; V107-L133 HydrophobicContact CG2-CD2 3.67Å
108	R	94.9	Very high	92.3	Very high	130 Å²	130	47.4 Å²	47.4	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-56.8	-47.9	176.5	169	-177.8	152.1	90.6	-3.1	111.8	F104 R105 E106 K111 L112 E205	F104-R108 WeakPolarHBondContact O-CB 3.43Å; F104-R108 PolarHBondContact O-N 2.85Å; R105-R108 PolarHBondContact O-N 3.33Å; E106-R108 PolarHBondContact O-N 2.97Å; R108-K111 PolarHBondContact O-N 3Å; R108-L112 HydrophobicContact CG-CD1 4.28Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 2.91Å; R108-E205 IonicContact CZ-OE1 3.17Å; R108-E205 IonicContact CZ-OE2 3.38Å; R108-E205 IonicContact NE-OE1 2.91Å; R108-E205 PolarHBondContact NE-OE1 3.17Å; R108-E205 IonicContact NE-OE2 3.15Å; R108-E205 VanDerWaalsContact NH2-CD 3.25Å; R108-E205 IonicContact NH2-OE1 2.75Å; R108-E205 PolarHBondContact NH2-OE1 2.98Å; R108-E205 VanDerWaalsContact NH2-OE1 3.11Å; R108-E205 IonicContact NH2-OE2 2.8Å; R108-E205 PolarHBondContact NH2-OE2 2.89Å
109	I	95.1	Very high	92.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-45.8	178.5	-76.2	173.2	0	0	0	110.3	R105 E106 V107 K111 L112 L113 I177 F200	R105-I109 HydrophobicContact CG-CD1 3.87Å; R105-I109 HydrophobicContact CG-CG1 4.32Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.27Å; R105-I109 PolarHBondContact O-N 2.73Å; E106-I109 PolarHBondContact O-N 2.84Å; V107-I109 PolarHBondContact O-N 3.46Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.43Å; I109-L112 PolarHBondContact O-N 3.35Å; I109-L113 HydrophobicContact CG2-CD1 3.62Å; I109-L113 HydrophobicContact CG2-CG 4.36Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.32Å; I109-I177 HydrophobicContact CD1-CG2 4.3Å; I109-I177 HydrophobicContact CG1-CD1 4.47Å; I109-I177 HydrophobicContact CG1-CG1 4.35Å; I109-I177 HydrophobicContact CG2-CD1 4.21Å; I109-I177 HydrophobicContact CG2-CG2 3.9Å; I109-F200 HydrophobicContact CG2-CB 4.22Å; I109-F200 HydrophobicContact CG2-CD1 3.77Å; I109-F200 HydrophobicContact CG2-CG 4.21Å
110	M	95.1	Very high	93.4	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-32.1	178.6	-72.6	-177.4	75.8	0	0	113.6	E106 V107 L112 L121 L133 M135 F200	E106-M110 HydrophobicContact CG-CG 4.46Å; E106-M110 HydrophobicContact CG-SD 4.07Å; E106-M110 WeakPolarHBondContact O-CB 3.5Å; E106-M110 VanDerWaalsContact O-CG 3.31Å; E106-M110 WeakPolarHBondContact O-CG 3.33Å; E106-M110 PolarHBondContact O-N 3.48Å; V107-M110 PolarHBondContact O-N 3.29Å; M110-L112 VanDerWaalsContact C-N 3.26Å; M110-L112 PolarHBondContact O-N 2.92Å; M110-L121 HydrophobicContact CB-CB 4.29Å; M110-L121 HydrophobicContact CB-CD2 4.1Å; M110-L121 HydrophobicContact CE-CB 4.2Å; M110-L121 HydrophobicContact CE-CD1 4.06Å; M110-L133 HydrophobicContact SD-CD1 4.24Å; M110-M135 HydrophobicContact CE-CG 3.86Å; M110-M135 HydrophobicContact CE-SD 3.46Å; M110-M135 WeakPolarHBondContact CE-SD 3.49Å; M110-F200 HydrophobicContact CG-CB 4.47Å
111	K	94.7	Very high	93.9	Very high	65 Å²	65	42.3 Å²	42.3	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-67.9	-22.5	171.7	-71.4	-167.6	170.1	-157.8	0	113.3	V107 R108 I109 L121 K356 Y357	V107-K111 WeakPolarHBondContact O-CG 3.15Å; V107-K111 PolarHBondContact O-N 3.33Å; R108-K111 PolarHBondContact O-N 3Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.43Å; K111-L121 HydrophobicContact CG-CD2 3.8Å; K111-K356 PolarHBondContact NZ-O 2.97Å; K111-Y357 HydrophobicContact CB-CD2 4.43Å; K111-Y357 HydrophobicContact CB-CE2 3.81Å; K111-Y357 HydrophobicContact CD-CD2 3.53Å; K111-Y357 HydrophobicContact CD-CE2 3.76Å; K111-Y357 HydrophobicContact CD-CG 4.24Å; K111-Y357 HydrophobicContact CG-CD1 4.49Å; K111-Y357 HydrophobicContact CG-CD2 3.65Å; K111-Y357 HydrophobicContact CG-CE1 4.38Å; K111-Y357 HydrophobicContact CG-CE2 3.52Å; K111-Y357 HydrophobicContact CG-CG 4.16Å; K111-Y357 PolarHBondContact O-OH 2.99Å; K111-Y357 VanDerWaalsContact O-OH 3.05Å
112	L	93.5	Very high	94.4	Very high	84 Å²	84	35.9 Å²	35.9	44%	0.44	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.5	-178.6	-65.9	170.4	0	0	0	114.2	R108 I109 M110	R108-L112 HydrophobicContact CG-CD1 4.28Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 2.91Å; I109-L112 PolarHBondContact O-N 3.35Å; M110-L112 VanDerWaalsContact C-N 3.26Å; M110-L112 PolarHBondContact O-N 2.92Å
113	L	95.1	Very high	95	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	15%	0.154	C	C	.	.			trans	-110	119	-172.5	-67.6	174.4	0	0	0	112.1	I109 I118 Y171 I177 F200	I109-L113 HydrophobicContact CG2-CD1 3.62Å; I109-L113 HydrophobicContact CG2-CG 4.36Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.32Å; L113-I118 HydrophobicContact CB-CG2 4.39Å; L113-I118 HydrophobicContact CD2-CD1 4.39Å; L113-Y171 HydrophobicContact CB-CE1 4.39Å; L113-Y171 HydrophobicContact CD2-CD1 4.06Å; L113-Y171 HydrophobicContact CD2-CE1 3.55Å; L113-I177 HydrophobicContact CD2-CD1 3.86Å; L113-I177 HydrophobicContact CG-CD1 4.19Å; L113-F200 HydrophobicContact CD1-CD1 3.74Å; L113-F200 HydrophobicContact CD1-CE1 3.28Å; L113-F200 HydrophobicContact CD1-CE2 4.31Å; L113-F200 HydrophobicContact CD1-CG 4.42Å; L113-F200 HydrophobicContact CD1-CZ 3.63Å
114	N	94.8	Very high	95.4	Very high	37 Å²	37	34 Å²	34	20%	0.198	16%	0.162	C	C	.	.			trans	-141.3	77	-176.4	179	45.4	0	0	0	109.8	K120 Y171 E324	N114-K120 PolarHBondContact OD1-NZ 3.2Å; N114-Y171 PolarHBondContact N-OH 2.75Å; N114-E324 VanDerWaalsContact CB-OE1 3.29Å; N114-E324 WeakPolarHBondContact CB-OE1 3.5Å; N114-E324 PolarHBondContact ND2-OE1 3.41Å
115	H	97.3	Very high	95.8	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.042	15%	0.149	C	C	.	.			trans	-127.7	141.1	179.9	-179.3	-76.5	0	0	0	109.3	N117 I118 Q164 S167 A168 Y171 Y322	H115-N117 WeakPolarHBondContact CE1-CB 3.48Å; H115-N117 PolarHBondContact CE1-OD1 2.62Å; H115-N117 PolarHBondContact ND1-N 3.39Å; H115-N117 PolarHBondContact O-N 3.4Å; H115-I118 HydrophobicContact CB-CB 4.25Å; H115-I118 HydrophobicContact CB-CD1 3.83Å; H115-I118 HydrophobicContact CB-CG1 3.93Å; H115-I118 PolarHBondContact O-N 3.49Å; H115-Q164 PolarHBondContact CE1-O 2.51Å; H115-S167 WeakPolarHBondContact NE2-CB 3.42Å; H115-S167 PolarHBondContact NE2-O 2.93Å; H115-S167 PolarHBondContact NE2-OG 3.05Å; H115-A168 PolarHBondContact NE2-N 2.97Å; H115-Y171 HydrophobicContact CB-CD1 3.7Å; H115-Y171 HydrophobicContact CB-CE1 3.79Å; H115-Y171 HydrophobicContact CB-CG 4.23Å; H115-Y171 AromaticContact CD2-CG 3.89Å; H115-Y322 HydrophobicContact CB-CE1 4.47Å; H115-Y322 AromaticContact CD2-CD1 3.46Å; H115-Y322 VanDerWaalsContact CD2-CD1 3.46Å; H115-Y322 WeakPolarHBondContact CD2-CD1 3.43Å; H115-Y322 AromaticContact CD2-CD2 3.97Å; H115-Y322 AromaticContact CD2-CE1 3.95Å; H115-Y322 AromaticContact CD2-CG 3.45Å; H115-Y322 VanDerWaalsContact CD2-CG 3.45Å; H115-Y322 VanDerWaalsContact NE2-CB 3.27Å; H115-Y322 WeakPolarHBondContact NE2-CB 3.42Å; H115-Y322 AromaticContact NE2-CD2 3.78Å; H115-Y322 AromaticContact NE2-CG 3.54Å
116	P	96.8	Very high	95.9	Very high	67 Å²	67	32.8 Å²	32.8	44%	0.435	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.9	-175.6	22.6	-35.5	0	0	0	114.4	K196 Y322	P116-K196 WeakPolarHBondContact O-CE 3.39Å; P116-K196 PolarHBondContact O-NZ 3.02Å; P116-Y322 WeakPolarHBondContact CD-OH 3.43Å; P116-Y322 HydrophobicContact CG-CE2 4.03Å
117	N	98	Very high	96	Very high	16 Å²	16	35 Å²	35	9%	0.086	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	17.9	179.6	-56.8	113.7	0	0	0	114.1	H115 Q164 A168 I195 K196 I197	H115-N117 WeakPolarHBondContact CE1-CB 3.48Å; H115-N117 PolarHBondContact CE1-OD1 2.62Å; H115-N117 PolarHBondContact ND1-N 3.39Å; H115-N117 PolarHBondContact O-N 3.4Å; N117-Q164 HydrophobicContact CB-CB 4.33Å; N117-A168 HydrophobicContact CB-CB 4.2Å; N117-I195 WeakPolarHBondContact CA-O 3.33Å; N117-I195 HydrophobicContact CB-CB 4.47Å; N117-I195 HydrophobicContact CB-CG2 4.4Å; N117-I195 VanDerWaalsContact CB-O 3.27Å; N117-I195 WeakPolarHBondContact CB-O 2.98Å; N117-I195 PolarHBondContact ND2-O 2.98Å; N117-K196 CarbonylContact O-C 3.57Å; N117-K196 WeakPolarHBondContact O-CA 3.27Å; N117-I197 PolarHBondContact O-N 3.23Å
118	I	97.9	Very high	96	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-113.4	142	168.1	-62.4	179.2	0	0	0	108.4	L113 H115 K120 A168 Y171 C172 F200	L113-I118 HydrophobicContact CB-CG2 4.39Å; L113-I118 HydrophobicContact CD2-CD1 4.39Å; H115-I118 HydrophobicContact CB-CB 4.25Å; H115-I118 HydrophobicContact CB-CD1 3.83Å; H115-I118 HydrophobicContact CB-CG1 3.93Å; H115-I118 PolarHBondContact O-N 3.49Å; I118-K120 PolarHBondContact O-N 3.28Å; I118-K120 VanDerWaalsContact O-N 3.16Å; I118-A168 HydrophobicContact CD1-CB 4.29Å; I118-A168 HydrophobicContact CG1-CB 3.84Å; I118-Y171 HydrophobicContact CD1-CD1 3.89Å; I118-Y171 HydrophobicContact CD1-CE1 4.2Å; I118-C172 VanDerWaalsContact CD1-SG 3.58Å; I118-F200 HydrophobicContact CD1-CZ 4.34Å; I118-F200 HydrophobicContact CG2-CE2 3.7Å; I118-F200 HydrophobicContact CG2-CZ 3.72Å
119	V	96.8	Very high	95.9	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.067	21%	0.211	C	C	.	.			trans	-63.8	113.2	174.3	167.8	0	0	0	0	109.8	M135 E136 K196 I197 A198	V119-M135 HydrophobicContact CG1-CB 3.75Å; V119-M135 HydrophobicContact CG1-CG 4.48Å; V119-M135 HydrophobicContact CG1-SD 4.35Å; V119-E136 HydrophobicContact CG1-CB 4.19Å; V119-K196 HydrophobicContact CG2-CB 3.89Å; V119-I197 WeakPolarHBondContact CG2-O 3.36Å; V119-I197 PolarHBondContact N-O 3.49Å; V119-A198 HydrophobicContact CG2-CB 3.97Å
120	K	95.9	Very high	95.8	Very high	47 Å²	47	43.4 Å²	43.4	20%	0.204	22%	0.219	C	C	.	.			trans	-74.8	137.7	179.6	-172.9	154.3	-173.3	163	0	112	N114 I118 F122 M135 E136	N114-K120 PolarHBondContact OD1-NZ 3.2Å; I118-K120 PolarHBondContact O-N 3.28Å; I118-K120 VanDerWaalsContact O-N 3.16Å; K120-F122 HydrophobicContact CB-CE1 4.42Å; K120-F122 HydrophobicContact CG-CE1 4.22Å; K120-M135 CarbonylContact O-C 3.58Å; K120-M135 WeakPolarHBondContact O-CA 3.47Å; K120-E136 HydrophobicContact CB-CB 4.47Å; K120-E136 PolarHBondContact N-OE2 3.45Å; K120-E136 PolarHBondContact O-N 3.09Å
121	L	97.4	Very high	95.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.9	166.8	-173.7	70.4	0	0	0	110	M110 K111 V124 L133 M135 Y357	M110-L121 HydrophobicContact CB-CB 4.29Å; M110-L121 HydrophobicContact CB-CD2 4.1Å; M110-L121 HydrophobicContact CE-CB 4.2Å; M110-L121 HydrophobicContact CE-CD1 4.06Å; K111-L121 HydrophobicContact CG-CD2 3.8Å; L121-V124 HydrophobicContact CD1-CG2 4.34Å; L121-V124 HydrophobicContact CD2-CG2 3.85Å; L121-V124 HydrophobicContact CG-CG2 4.45Å; L121-L133 HydrophobicContact CD1-CB 4.09Å; L121-M135 HydrophobicContact CD1-CG 4.28Å; L121-Y357 HydrophobicContact CB-CD1 4.29Å; L121-Y357 HydrophobicContact CB-CE1 4.04Å; L121-Y357 HydrophobicContact CD2-CD1 3.77Å; L121-Y357 HydrophobicContact CD2-CE1 3.98Å; L121-Y357 HydrophobicContact CD2-CG 4.35Å; L121-Y357 HydrophobicContact CG-CD1 3.84Å; L121-Y357 HydrophobicContact CG-CE1 4.08Å
122	F	97.4	Very high	95.9	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-43.9	172.4	-54.6	-54.6	0	0	0	112.2	V85 K120 V134 M135 E136 A362 L365 L366 R369	V85-F122 HydrophobicContact CG1-CD2 4.01Å; V85-F122 HydrophobicContact CG1-CE2 4.02Å; K120-F122 HydrophobicContact CB-CE1 4.42Å; K120-F122 HydrophobicContact CG-CE1 4.22Å; F122-V134 HydrophobicContact CD2-CG1 4.37Å; F122-V134 PolarHBondContact N-O 3.06Å; F122-M135 VanDerWaalsContact CE2-C 3.45Å; F122-E136 HydrophobicContact CE2-CB 4.26Å; F122-E136 HydrophobicContact CZ-CB 4.05Å; F122-A362 HydrophobicContact CB-CB 4.15Å; F122-L365 HydrophobicContact CD1-CB 4Å; F122-L365 HydrophobicContact CD1-CD1 4.29Å; F122-L366 HydrophobicContact CD1-CD2 4.32Å; F122-L366 HydrophobicContact CD2-CD2 3.75Å; F122-L366 HydrophobicContact CD2-CG 4.43Å; F122-L366 HydrophobicContact CE1-CD2 4.28Å; F122-L366 HydrophobicContact CE2-CD2 3.67Å; F122-L366 HydrophobicContact CG-CD2 4.08Å; F122-L366 HydrophobicContact CG-CG 4.36Å; F122-L366 HydrophobicContact CZ-CD2 3.97Å; F122-R369 VanDerWaalsContact CZ-NE 3.27Å
123	E	98.1	Very high	96.1	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.3	-171.6	-154.2	173.8	127.9	0	0	111.8	Y59 I125 V134 Y357 D359 A362	Y59-E123 WeakPolarHBondContact CE2-OE2 3.48Å; Y59-E123 VanDerWaalsContact CZ-OE2 3.23Å; Y59-E123 PolarHBondContact OH-OE2 3.1Å; E123-I125 HydrophobicContact CG-CG1 4.16Å; E123-I125 VanDerWaalsContact OE1-CD1 3.29Å; E123-I125 WeakPolarHBondContact OE1-CD1 3.17Å; E123-I125 WeakPolarHBondContact OE1-CG1 3.47Å; E123-V134 HydrophobicContact CB-CB 3.8Å; E123-V134 HydrophobicContact CB-CG2 3.86Å; E123-V134 PolarHBondContact N-O 2.58Å; E123-V134 PolarHBondContact O-N 2.71Å; E123-Y357 WeakPolarHBondContact CA-O 3.48Å; E123-Y357 WeakPolarHBondContact CG-O 3.39Å; E123-D359 WeakPolarHBondContact OE2-CA 3.46Å; E123-A362 HydrophobicContact CB-CB 3.78Å; E123-A362 HydrophobicContact CG-CB 4.02Å; E123-A362 WeakPolarHBondContact OE2-CB 3.38Å
124	V	97.8	Very high	96.2	Very high	35 Å²	35	37.4 Å²	37.4	21%	0.212	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	106.6	171	-177.1	0	0	0	0	108.6	V107 L121 L131 L133 Y357	V107-V124 HydrophobicContact CG1-CG1 4.41Å; V107-V124 HydrophobicContact CG1-CG2 3.9Å; L121-V124 HydrophobicContact CD1-CG2 4.34Å; L121-V124 HydrophobicContact CD2-CG2 3.85Å; L121-V124 HydrophobicContact CG-CG2 4.45Å; V124-L131 HydrophobicContact CG1-CD1 3.79Å; V124-L133 HydrophobicContact CG1-CD2 4.01Å; V124-L133 HydrophobicContact CG2-CD2 4.17Å; V124-Y357 PolarHBondContact N-O 3.22Å
125	I	97.2	Very high	96.4	Very high	29 Å²	29	36.6 Å²	36.6	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.4	175.5	-48.5	169	0	0	0	107.9	I56 Y59 E123 Y132 V134	I56-I125 HydrophobicContact CD1-CG2 4.22Å; I56-I125 HydrophobicContact CG1-CD1 4.01Å; I56-I125 HydrophobicContact CG1-CG2 4.35Å; Y59-I125 HydrophobicContact CD2-CD1 4.11Å; Y59-I125 HydrophobicContact CE2-CD1 4.19Å; E123-I125 HydrophobicContact CG-CG1 4.16Å; E123-I125 VanDerWaalsContact OE1-CD1 3.29Å; E123-I125 WeakPolarHBondContact OE1-CD1 3.17Å; E123-I125 WeakPolarHBondContact OE1-CG1 3.47Å; I125-Y132 HydrophobicContact CB-CD2 4.41Å; I125-Y132 PolarHBondContact N-O 3.48Å; I125-Y132 WeakPolarHBondContact O-CD2 3.48Å; I125-Y132 PolarHBondContact O-N 3.33Å; I125-V134 HydrophobicContact CD1-CG2 4.41Å
126	E	95	Very high	96.3	Very high	100 Å²	100	37 Å²	37	47%	0.467	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	178.1	-173.4	163.2	-167.6	0	0	111.3	K92 L131	K92-E126 IonicContact NZ-OE1 3.79Å; K92-E126 PolarHBondContact NZ-OE1 2.83Å; E126-L131 HydrophobicContact CB-CD1 3.68Å; E126-L131 HydrophobicContact CG-CD1 3.89Å
127	T	94	Very high	96.3	Very high	57 Å²	57	35.8 Å²	35.8	35%	0.35	17%	0.172	S	C	.	.			trans	-115.8	173.2	165.7	75.7	0	0	0	0	109.2	K92 K129 T130 Y132	K92-T127 WeakPolarHBondContact CE-O 3.3Å; K92-T127 PolarHBondContact NZ-O 2.82Å; T127-K129 PolarHBondContact O-N 3.42Å; T127-K129 VanDerWaalsContact O-N 3.17Å; T127-T130 PolarHBondContact N-O 2.88Å; T127-T130 PolarHBondContact OG1-N 3.36Å; T127-T130 VanDerWaalsContact OG1-N 3.12Å; T127-T130 PolarHBondContact OG1-O 3.45Å; T127-Y132 HydrophobicContact CG2-CE2 4.12Å
128	E	92.5	Very high	96	Very high	172 Å²	172	35.6 Å²	35.6	80%	0.804	17%	0.172	S	C	*	.	S	Bend	trans	-51	-41.8	177.2	-63.8	179.9	172.7	0	0	113.2	K92	K92-E128 WeakPolarHBondContact CE-O 3.24Å; K92-E128 PolarHBondContact NZ-O 3Å
129	K	92.9	Very high	95.7	Very high	126 Å²	126	37.3 Å²	37.3	55%	0.548	19%	0.185	S	C	.	.	S	Bend	trans	-107.1	-18.4	-170	-63.4	177.4	-174.4	172.1	0	114	K92 T93 T127	K92-K129 WeakPolarHBondContact CB-O 3.44Å; K92-K129 PolarHBondContact N-O 3.48Å; T93-K129 HydrophobicContact CG2-CB 3.9Å; T93-K129 HydrophobicContact CG2-CD 4.47Å; T93-K129 HydrophobicContact CG2-CG 3.89Å; T127-K129 PolarHBondContact O-N 3.42Å; T127-K129 VanDerWaalsContact O-N 3.17Å
130	T	94.1	Very high	95.1	Very high	25 Å²	25	37 Å²	37	15%	0.153	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.9	-169.6	-46.2	0	0	0	0	111.2	I89 I90 T127 Y132	I89-T130 HydrophobicContact CG2-CG2 3.61Å; I90-T130 CarbonylContact O-C 3.51Å; I90-T130 WeakPolarHBondContact O-CA 3.28Å; I90-T130 WeakPolarHBondContact O-CG2 3.22Å; T127-T130 PolarHBondContact N-O 2.88Å; T127-T130 PolarHBondContact OG1-N 3.36Å; T127-T130 VanDerWaalsContact OG1-N 3.12Å; T127-T130 PolarHBondContact OG1-O 3.45Å; T130-Y132 HydrophobicContact CG2-CD2 4.1Å; T130-Y132 HydrophobicContact CG2-CE1 4.14Å; T130-Y132 HydrophobicContact CG2-CE2 3.53Å
131	L	95.4	Very high	94.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.1	168.1	-169	68.7	0	0	0	109.3	I90 K92 L103 V107 V124 E126 L133	I90-L131 PolarHBondContact N-O 2.72Å; I90-L131 PolarHBondContact O-N 2.84Å; K92-L131 HydrophobicContact CG-CB 4.44Å; L103-L131 HydrophobicContact CD1-CD2 3.98Å; L103-L131 HydrophobicContact CD2-CB 4.42Å; L103-L131 HydrophobicContact CD2-CD2 3.68Å; L103-L131 HydrophobicContact CG-CD2 3.78Å; V107-L131 HydrophobicContact CG2-CD2 3.98Å; V124-L131 HydrophobicContact CG1-CD1 3.79Å; E126-L131 HydrophobicContact CB-CD1 3.68Å; E126-L131 HydrophobicContact CG-CD1 3.89Å; L131-L133 HydrophobicContact CD2-CD2 3.96Å; L131-L133 HydrophobicContact CG-CD2 4.02Å
132	Y	96.9	Very high	94.2	Very high	38 Å²	38	36.2 Å²	36.2	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.2	177.5	-56.1	-102.2	0	0	0	108.8	I56 V87 K88 I89 I125 T127 T130	I56-Y132 HydrophobicContact CB-CE1 4.37Å; I56-Y132 HydrophobicContact CD1-CD2 4.17Å; I56-Y132 HydrophobicContact CD1-CE1 4.4Å; I56-Y132 HydrophobicContact CD1-CE2 3.79Å; I56-Y132 HydrophobicContact CG1-CD1 3.93Å; I56-Y132 HydrophobicContact CG1-CD2 4.02Å; I56-Y132 HydrophobicContact CG1-CE1 3.93Å; I56-Y132 HydrophobicContact CG1-CE2 4Å; I56-Y132 HydrophobicContact CG1-CG 4Å; I56-Y132 HydrophobicContact CG2-CD1 4.23Å; I56-Y132 HydrophobicContact CG2-CE1 4.41Å; V87-Y132 HydrophobicContact CG1-CD1 4Å; K88-Y132 WeakPolarHBondContact O-CA 3.21Å; I89-Y132 HydrophobicContact CB-CD1 4.31Å; I89-Y132 HydrophobicContact CB-CE1 4.38Å; I89-Y132 HydrophobicContact CD1-CD1 4.32Å; I89-Y132 HydrophobicContact CD1-CE1 4.11Å; I89-Y132 HydrophobicContact CG1-CD1 3.81Å; I89-Y132 HydrophobicContact CG1-CE1 4.01Å; I89-Y132 HydrophobicContact CG2-CD1 4.01Å; I89-Y132 HydrophobicContact CG2-CE1 3.67Å; I125-Y132 HydrophobicContact CB-CD2 4.41Å; I125-Y132 PolarHBondContact N-O 3.48Å; I125-Y132 WeakPolarHBondContact O-CD2 3.48Å; I125-Y132 PolarHBondContact O-N 3.33Å; T127-Y132 HydrophobicContact CG2-CE2 4.12Å; T130-Y132 HydrophobicContact CG2-CD2 4.1Å; T130-Y132 HydrophobicContact CG2-CE1 4.14Å; T130-Y132 HydrophobicContact CG2-CE2 3.53Å
133	L	97.3	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.5	173.5	-49.5	-177.9	0	0	0	108.1	V87 K88 I90 V107 M110 L121 V124 L131 M135	V87-L133 WeakPolarHBondContact CA-O 3.31Å; K88-L133 HydrophobicContact CB-CB 4.34Å; K88-L133 PolarHBondContact N-O 3.49Å; K88-L133 PolarHBondContact O-N 2.96Å; I90-L133 HydrophobicContact CD1-CD1 4.15Å; I90-L133 HydrophobicContact CD1-CG 4.42Å; V107-L133 HydrophobicContact CG2-CD1 4.2Å; V107-L133 HydrophobicContact CG2-CD2 3.67Å; M110-L133 HydrophobicContact SD-CD1 4.24Å; L121-L133 HydrophobicContact CD1-CB 4.09Å; V124-L133 HydrophobicContact CG1-CD2 4.01Å; V124-L133 HydrophobicContact CG2-CD2 4.17Å; L131-L133 HydrophobicContact CD2-CD2 3.96Å; L131-L133 HydrophobicContact CG-CD2 4.02Å; L133-M135 HydrophobicContact CB-CG 4.33Å; L133-M135 HydrophobicContact CB-SD 4.47Å
134	V	98.1	Very high	92.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.7	178.1	-173.1	0	0	0	0	108.7	Y59 V85 V87 F122 E123 I125	Y59-V134 HydrophobicContact CD1-CG1 4.2Å; Y59-V134 HydrophobicContact CD2-CG2 4.22Å; Y59-V134 HydrophobicContact CE1-CG1 3.57Å; Y59-V134 HydrophobicContact CE2-CG1 4.35Å; Y59-V134 HydrophobicContact CE2-CG2 3.88Å; V85-V134 HydrophobicContact CB-CG1 3.84Å; V85-V134 HydrophobicContact CG1-CG1 4.17Å; V85-V134 HydrophobicContact CG2-CG1 3.69Å; V87-V134 HydrophobicContact CG2-CG1 4.49Å; V87-V134 HydrophobicContact CG2-CG2 4.36Å; F122-V134 HydrophobicContact CD2-CG1 4.37Å; F122-V134 PolarHBondContact N-O 3.06Å; E123-V134 HydrophobicContact CB-CB 3.8Å; E123-V134 HydrophobicContact CB-CG2 3.86Å; E123-V134 PolarHBondContact N-O 2.58Å; E123-V134 PolarHBondContact O-N 2.71Å; I125-V134 HydrophobicContact CD1-CG2 4.41Å
135	M	97.4	Very high	91.9	Very high	20 Å²	20	35.2 Å²	35.2	10%	0.099	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165.1	-166.3	-52.3	179.8	-58.4	0	0	112.3	V85 A86 K88 M110 V119 K120 L121 F122 L133 Y137	V85-M135 WeakPolarHBondContact CA-O 3.34Å; V85-M135 WeakPolarHBondContact CB-O 3.46Å; A86-M135 HydrophobicContact CB-CE 4.4Å; A86-M135 PolarHBondContact N-O 2.82Å; A86-M135 WeakPolarHBondContact O-CB 3.36Å; A86-M135 PolarHBondContact O-N 2.93Å; K88-M135 HydrophobicContact CB-CE 3.67Å; K88-M135 HydrophobicContact CB-SD 4.38Å; K88-M135 HydrophobicContact CD-CE 4.49Å; M110-M135 HydrophobicContact CE-CG 3.86Å; M110-M135 HydrophobicContact CE-SD 3.46Å; M110-M135 WeakPolarHBondContact CE-SD 3.49Å; V119-M135 HydrophobicContact CG1-CB 3.75Å; V119-M135 HydrophobicContact CG1-CG 4.48Å; V119-M135 HydrophobicContact CG1-SD 4.35Å; K120-M135 CarbonylContact O-C 3.58Å; K120-M135 WeakPolarHBondContact O-CA 3.47Å; L121-M135 HydrophobicContact CD1-CG 4.28Å; F122-M135 VanDerWaalsContact CE2-C 3.45Å; L133-M135 HydrophobicContact CB-CG 4.33Å; L133-M135 HydrophobicContact CB-SD 4.47Å; M135-Y137 PolarHBondContact O-N 2.96Å
136	E	96.3	Very high	91.2	Very high	16 Å²	16	35 Å²	35	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.9	168.8	173.1	165.1	-158.4	0	0	112.5	V119 K120 F122 K196 R369	V119-E136 HydrophobicContact CG1-CB 4.19Å; K120-E136 HydrophobicContact CB-CB 4.47Å; K120-E136 PolarHBondContact N-OE2 3.45Å; K120-E136 PolarHBondContact O-N 3.09Å; F122-E136 HydrophobicContact CE2-CB 4.26Å; F122-E136 HydrophobicContact CZ-CB 4.05Å; E136-K196 VanDerWaalsContact OE1-CE 3.28Å; E136-K196 WeakPolarHBondContact OE1-CE 3.49Å; E136-K196 IonicContact OE1-NZ 3.97Å; E136-K196 PolarHBondContact OE1-NZ 2.83Å; E136-K196 IonicContact OE2-NZ 2.97Å; E136-R369 IonicContact OE1-CZ 2.93Å; E136-R369 IonicContact OE1-NH1 3.06Å; E136-R369 PolarHBondContact OE1-NH1 3.02Å; E136-R369 IonicContact OE1-NH2 2.65Å; E136-R369 PolarHBondContact OE1-NH2 3.09Å; E136-R369 IonicContact OE2-CZ 2.58Å; E136-R369 IonicContact OE2-NH1 2.73Å; E136-R369 IonicContact OE2-NH2 3.96Å; E136-R369 PolarHBondContact OE2-NH2 2.68Å
137	Y	95.3	Very high	90.6	Very high	43 Å²	43	30.4 Å²	30.4	17%	0.169	15%	0.152	C	C	.	.			trans	-88.6	117.7	175.3	176.4	-134.3	0	0	0	111.6	I65 L75 E84 M135	I65-Y137 HydrophobicContact CD1-CD2 3.81Å; I65-Y137 HydrophobicContact CD1-CE2 3.74Å; L75-Y137 HydrophobicContact CD1-CD1 3.51Å; L75-Y137 HydrophobicContact CD1-CD2 4.07Å; L75-Y137 HydrophobicContact CD1-CE1 3.52Å; L75-Y137 HydrophobicContact CD1-CE2 4.11Å; L75-Y137 HydrophobicContact CD1-CG 3.79Å; L75-Y137 HydrophobicContact CD2-CE1 4.47Å; E84-Y137 HydrophobicContact CB-CD1 4.08Å; M135-Y137 PolarHBondContact O-N 2.96Å
138	A	93.4	Very high	89.7	Confident	11 Å²	11	28.7 Å²	28.7	9%	0.091	14%	0.142	C	C	.	.			trans	-93.5	102.5	170.9	0	0	0	0	0	109.9	L188 L189 K196	A138-L188 HydrophobicContact CB-CB 3.56Å; A138-L188 HydrophobicContact CB-CD1 3.96Å; A138-L188 HydrophobicContact CB-CG 4.42Å; A138-L189 CarbonylContact C-O 3.52Å; A138-L189 WeakPolarHBondContact CB-O 3.42Å; A138-K196 HydrophobicContact CB-CB 4.16Å; A138-K196 HydrophobicContact CB-CG 4.21Å
139	S	89.8	Confident	89.1	Confident	40 Å²	40	22.3 Å²	22.3	28%	0.28	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.1	-169.3	58.4	0	0	0	0	115.4	G141 L189 R752	S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.14Å; S139-L189 PolarHBondContact N-O 2.83Å; S139-R752 PolarHBondContact O-NH2 3.2Å
140	G	84.8	Confident	88.5	Confident	5 Å²	5	20.1 Å²	20.1	5%	0.052	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.5	-177.8	0	0	0	0	0	115	L189	G140-L189 VanDerWaalsContact CA-O 3.22Å; G140-L189 WeakPolarHBondContact CA-O 3.39Å; G140-L189 PolarHBondContact N-O 3.19Å
141	G	86.6	Confident	88	Confident	8 Å²	8	20.5 Å²	20.5	8%	0.082	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-159.9	-178.8	0	0	0	0	0	112.6	S139 L188 L189	S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.14Å; G141-L188 CarbonylContact O-C 3.43Å; G141-L188 WeakPolarHBondContact O-CA 3.1Å; G141-L189 PolarHBondContact O-N 3.21Å
142	E	88.2	Confident	87.7	Confident	22 Å²	22	25.1 Å²	25.1	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148.4	178.9	-68.4	167.9	-149.8	0	0	111	F144 D145 Y146 E185 L188 R755 S760	E142-F144 HydrophobicContact CB-CB 4.32Å; E142-F144 PolarHBondContact O-N 3Å; E142-D145 PolarHBondContact N-OD2 2.95Å; E142-D145 WeakPolarHBondContact O-CB 3.19Å; E142-D145 PolarHBondContact O-N 2.92Å; E142-Y146 PolarHBondContact O-N 2.93Å; E142-E185 WeakPolarHBondContact OE2-CA 3.4Å; E142-L188 HydrophobicContact CG-CD2 3.74Å; E142-R755 IonicContact OE1-CZ 2.68Å; E142-R755 VanDerWaalsContact OE1-CZ 3.25Å; E142-R755 IonicContact OE1-NE 2.77Å; E142-R755 PolarHBondContact OE1-NE 2.75Å; E142-R755 IonicContact OE1-NH2 2.95Å; E142-R755 PolarHBondContact OE1-NH2 3.29Å; E142-R755 IonicContact OE2-CZ 3.6Å; E142-R755 VanDerWaalsContact OE2-CZ 3.29Å; E142-R755 IonicContact OE2-NE 3.12Å; E142-R755 PolarHBondContact OE2-NE 3.09Å; E142-R755 VanDerWaalsContact OE2-NE 3.08Å; E142-R755 IonicContact OE2-NH2 3.4Å; E142-R755 PolarHBondContact OE2-NH2 3.24Å; E142-S760 PolarHBondContact OE2-OG 2.9Å
143	V	87.4	Confident	87.5	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-30.3	167.8	172.9	0	0	0	0	110.7	Y146 L147 M153 L187 L189 I195 L249	V143-Y146 WeakPolarHBondContact O-CB 3.28Å; V143-Y146 PolarHBondContact O-N 3.47Å; V143-L147 PolarHBondContact O-N 3.38Å; V143-M153 HydrophobicContact CG1-CE 4.15Å; V143-L187 HydrophobicContact CB-CB 4Å; V143-L187 HydrophobicContact CG2-CB 3.72Å; V143-L187 WeakPolarHBondContact CG2-O 3.26Å; V143-L187 PolarHBondContact N-O 2.91Å; V143-L189 HydrophobicContact CG2-CD1 4.17Å; V143-L189 HydrophobicContact CG2-CD2 3.89Å; V143-L189 HydrophobicContact CG2-CG 3.81Å; V143-I195 HydrophobicContact CG2-CD1 3.36Å; V143-L249 HydrophobicContact CG1-CD2 3.42Å; V143-L249 VanDerWaalsContact CG1-CD2 3.42Å
144	F	79.4	Confident	87.4	Confident	13 Å²	13	31.2 Å²	31.2	6%	0.057	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-40.1	173.3	-167.2	-88.3	0	0	0	112.9	E142 Y146 L147 V148 A184 S760 K764	E142-F144 HydrophobicContact CB-CB 4.32Å; E142-F144 PolarHBondContact O-N 3Å; F144-Y146 PolarHBondContact O-N 3.3Å; F144-L147 WeakPolarHBondContact O-CA 3.46Å; F144-L147 WeakPolarHBondContact O-CB 3.14Å; F144-L147 PolarHBondContact O-N 2.73Å; F144-V148 HydrophobicContact CD1-CG2 3.84Å; F144-V148 HydrophobicContact CE1-CG2 3.58Å; F144-V148 WeakPolarHBondContact O-CG2 3.48Å; F144-V148 PolarHBondContact O-N 3.47Å; F144-V148 VanDerWaalsContact O-N 3.07Å; F144-A184 HydrophobicContact CB-CB 3.88Å; F144-A184 HydrophobicContact CD2-CB 3.82Å; F144-A184 HydrophobicContact CG-CB 4.31Å; F144-S760 VanDerWaalsContact CD1-CB 3.4Å; F144-S760 VanDerWaalsContact CD1-OG 3.26Å; F144-S760 WeakPolarHBondContact CD1-OG 3.4Å; F144-S760 VanDerWaalsContact CE1-C 3.46Å; F144-S760 VanDerWaalsContact CE1-CB 3.46Å; F144-S760 WeakPolarHBondContact CE1-O 3.46Å; F144-S760 VanDerWaalsContact CZ-O 3.29Å; F144-S760 WeakPolarHBondContact CZ-O 3.35Å; F144-K764 HydrophobicContact CE1-CB 3.69Å; F144-K764 HydrophobicContact CE1-CD 4.39Å; F144-K764 HydrophobicContact CZ-CB 3.74Å; F144-K764 HydrophobicContact CZ-CD 3.85Å; F144-K764 HydrophobicContact CZ-CG 4.41Å
145	D	78.8	Confident	87.4	Confident	12 Å²	12	32.7 Å²	32.7	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-37	176.5	-61	-31.1	0	0	0	111.4	E142 L147 V148 A149 F763	E142-D145 PolarHBondContact N-OD2 2.95Å; E142-D145 WeakPolarHBondContact O-CB 3.19Å; E142-D145 PolarHBondContact O-N 2.92Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 2.78Å; D145-V148 PolarHBondContact O-N 2.75Å; D145-A149 PolarHBondContact O-N 2.77Å; D145-A149 VanDerWaalsContact O-N 3.09Å; D145-F763 WeakPolarHBondContact OD1-CE1 3.39Å
146	Y	80.9	Confident	87.4	Confident	26 Å²	26	40 Å²	40	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-55.6	-49	171.6	-175	-68.4	0	0	0	110.9	E142 V143 F144 V148 A149 H150 M153 E157 M193 T684	E142-Y146 PolarHBondContact O-N 2.93Å; V143-Y146 WeakPolarHBondContact O-CB 3.28Å; V143-Y146 PolarHBondContact O-N 3.47Å; F144-Y146 PolarHBondContact O-N 3.3Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 2.85Å; Y146-A149 PolarHBondContact O-N 3.21Å; Y146-H150 HydrophobicContact CD1-CB 3.99Å; Y146-H150 HydrophobicContact CE1-CB 3.51Å; Y146-H150 AromaticContact CE1-CG 3.71Å; Y146-H150 AromaticContact CZ-CG 3.83Å; Y146-H150 WeakPolarHBondContact O-CB 3.31Å; Y146-H150 PolarHBondContact O-N 2.98Å; Y146-H150 PolarHBondContact O-ND1 3.44Å; Y146-M153 HydrophobicContact CD1-CE 3.41Å; Y146-M153 VanDerWaalsContact CD1-CE 3.41Å; Y146-M153 HydrophobicContact CD1-CG 4.02Å; Y146-M153 HydrophobicContact CD2-CE 4.17Å; Y146-M153 HydrophobicContact CE1-CE 3.9Å; Y146-M153 HydrophobicContact CE1-CG 3.74Å; Y146-M153 HydrophobicContact CG-CE 3.63Å; Y146-E157 WeakPolarHBondContact CE2-OE1 3.41Å; Y146-E157 PolarHBondContact OH-OE1 3.38Å; Y146-E157 PolarHBondContact OH-OE2 2.81Å; Y146-E157 VanDerWaalsContact OH-OE2 3.04Å; Y146-M193 HydrophobicContact CD2-CE 3.77Å; Y146-M193 HydrophobicContact CE2-CE 4.23Å; Y146-T684 HydrophobicContact CD2-CG2 3.37Å; Y146-T684 HydrophobicContact CE2-CG2 4.03Å; Y146-T684 HydrophobicContact CG-CG2 4.06Å
147	L	82.9	Confident	87.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-27.3	-178.1	-60.9	176.5	0	0	0	113	V143 F144 D145 G151 M153 T248 L249	V143-L147 PolarHBondContact O-N 3.38Å; F144-L147 WeakPolarHBondContact O-CA 3.46Å; F144-L147 WeakPolarHBondContact O-CB 3.14Å; F144-L147 PolarHBondContact O-N 2.73Å; D145-L147 VanDerWaalsContact C-N 3.33Å; D145-L147 PolarHBondContact O-N 2.78Å; L147-G151 WeakPolarHBondContact CA-O 3.39Å; L147-G151 WeakPolarHBondContact CD2-O 3.29Å; L147-G151 WeakPolarHBondContact O-CA 3.49Å; L147-G151 PolarHBondContact O-N 2.82Å; L147-M153 HydrophobicContact CD2-CE 4.35Å; L147-M153 HydrophobicContact CD2-CG 4.02Å; L147-T248 HydrophobicContact CD1-CG2 3.98Å; L147-L249 HydrophobicContact CD1-CD2 4.32Å
148	V	76.2	Confident	87.4	Confident	21 Å²	21	40.3 Å²	40.3	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-47.8	170.9	-179.8	0	0	0	0	110.3	F144 D145 Y146 F763 K764 A767	F144-V148 HydrophobicContact CD1-CG2 3.84Å; F144-V148 HydrophobicContact CE1-CG2 3.58Å; F144-V148 WeakPolarHBondContact O-CG2 3.48Å; F144-V148 PolarHBondContact O-N 3.47Å; F144-V148 VanDerWaalsContact O-N 3.07Å; D145-V148 PolarHBondContact O-N 2.75Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 2.85Å; V148-F763 HydrophobicContact CG2-CD1 4.33Å; V148-F763 HydrophobicContact CG2-CE1 4.29Å; V148-K764 HydrophobicContact CG2-CB 3.83Å; V148-K764 HydrophobicContact CG2-CD 4.49Å; V148-K764 HydrophobicContact CG2-CG 3.97Å; V148-A767 HydrophobicContact CG1-CB 3.86Å
149	A	78.6	Confident	87.6	Confident	37 Å²	37	40.8 Å²	40.8	31%	0.306	20%	0.204	S	C	.	.	H	α-helix	trans	-75.2	-36.1	-175	0	0	0	0	0	114.2	D145 Y146 S686	D145-A149 PolarHBondContact O-N 2.77Å; D145-A149 VanDerWaalsContact O-N 3.09Å; Y146-A149 PolarHBondContact O-N 3.21Å; A149-S686 WeakPolarHBondContact O-CB 3.31Å
150	H	80.3	Confident	87.9	Confident	81 Å²	81	40.8 Å²	40.8	38%	0.375	21%	0.206	S	C	.	.	H	α-helix	trans	-111.3	-12.6	-171.8	-64.5	72.6	0	0	0	113.9	Y146 W685	Y146-H150 HydrophobicContact CD1-CB 3.99Å; Y146-H150 HydrophobicContact CE1-CB 3.51Å; Y146-H150 AromaticContact CE1-CG 3.71Å; Y146-H150 AromaticContact CZ-CG 3.83Å; Y146-H150 WeakPolarHBondContact O-CB 3.31Å; Y146-H150 PolarHBondContact O-N 2.98Å; Y146-H150 PolarHBondContact O-ND1 3.44Å; H150-W685 PolarHBondContact CE1-O 3.35Å; H150-W685 PolarHBondContact NE2-O 3.16Å; H150-W685 VanDerWaalsContact NE2-O 3.15Å
151	G	84.1	Confident	88.5	Confident	32 Å²	32	41.9 Å²	41.9	33%	0.33	21%	0.21	S	C	.	.			trans	73.2	-150.8	-164.3	0	0	0	0	0	111.5	L147	L147-G151 WeakPolarHBondContact CA-O 3.39Å; L147-G151 WeakPolarHBondContact CD2-O 3.29Å; L147-G151 WeakPolarHBondContact O-CA 3.49Å; L147-G151 PolarHBondContact O-N 2.82Å
152	R	89.6	Confident	89.1	Confident	99 Å²	99	41.5 Å²	41.5	37%	0.374	21%	0.206	S	C	.	.	S	Bend	trans	-64.9	141.7	-179.2	74.1	-169.9	-173.4	81.3	-2.5	112.2	V250 S251 Y278	R152-V250 WeakPolarHBondContact CB-O 3.38Å; R152-V250 WeakPolarHBondContact CD-O 3.4Å; R152-S251 VanDerWaalsContact CB-C 3.5Å; R152-Y278 VanDerWaalsContact CZ-CE2 3.48Å; R152-Y278 VanDerWaalsContact NH1-CD2 3.29Å
153	M	92.9	Very high	89.6	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-70.7	152.3	170.7	-68.8	176.6	-179.3	0	0	110.9	V143 Y146 L147 E157 A158 L249	V143-M153 HydrophobicContact CG1-CE 4.15Å; Y146-M153 HydrophobicContact CD1-CE 3.41Å; Y146-M153 VanDerWaalsContact CD1-CE 3.41Å; Y146-M153 HydrophobicContact CD1-CG 4.02Å; Y146-M153 HydrophobicContact CD2-CE 4.17Å; Y146-M153 HydrophobicContact CE1-CE 3.9Å; Y146-M153 HydrophobicContact CE1-CG 3.74Å; Y146-M153 HydrophobicContact CG-CE 3.63Å; L147-M153 HydrophobicContact CD2-CE 4.35Å; L147-M153 HydrophobicContact CD2-CG 4.02Å; M153-E157 HydrophobicContact SD-CG 4.47Å; M153-A158 HydrophobicContact CB-CB 4.05Å; M153-L249 HydrophobicContact CE-CD2 4.16Å; M153-L249 PolarHBondContact N-O 2.96Å; M153-L249 HydrophobicContact SD-CB 4.36Å; M153-L249 HydrophobicContact SD-CD2 3.89Å
154	K	95.1	Very high	90.1	Very high	164 Å²	164	43.6 Å²	43.6	71%	0.713	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-73.9	146.5	165.1	-67.4	179.1	-178.1	175.3	0	109	K156 E157 A158	K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.33Å; K154-K156 VanDerWaalsContact O-N 3.13Å; K154-E157 WeakPolarHBondContact O-CB 3.46Å; K154-E157 PolarHBondContact O-N 2.77Å; K154-A158 PolarHBondContact O-N 2.56Å
155	E	97.5	Very high	91	Very high	31 Å²	31	43 Å²	43	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-56.1	-36.4	-174.5	-69.4	-173.4	-159.8	0	0	114.1	E157 A158 R159 V250 S280 W309	E155-E157 VanDerWaalsContact C-N 3.3Å; E155-E157 PolarHBondContact O-N 2.94Å; E155-A158 PolarHBondContact O-N 3.39Å; E155-R159 WeakPolarHBondContact O-CB 3.13Å; E155-R159 PolarHBondContact O-N 3.42Å; E155-V250 HydrophobicContact CG-CG1 4.19Å; E155-S280 PolarHBondContact OE1-N 3Å; E155-S280 PolarHBondContact OE1-OG 3.42Å; E155-S280 WeakPolarHBondContact OE2-CB 3.45Å; E155-S280 PolarHBondContact OE2-OG 2.72Å; E155-W309 HydrophobicContact CB-CZ2 3.91Å; E155-W309 HydrophobicContact CG-CZ2 4.23Å; E155-W309 PolarHBondContact OE2-NE1 3.14Å
156	K	96.9	Very high	91.9	Very high	174 Å²	174	42.4 Å²	42.4	76%	0.757	21%	0.208	S	C	*	.	H	α-helix	trans	-59.5	-38.6	174.4	-178.4	172.8	-179.3	171.2	0	113	K154 A160	K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.33Å; K154-K156 VanDerWaalsContact O-N 3.13Å; K156-A160 PolarHBondContact O-N 2.88Å
157	E	94.8	Very high	92.8	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-78.7	-44.7	178.6	178.1	176.3	-152.9	0	0	111.2	Y146 M153 K154 E155 R159 A160 K161	Y146-E157 WeakPolarHBondContact CE2-OE1 3.41Å; Y146-E157 PolarHBondContact OH-OE1 3.38Å; Y146-E157 PolarHBondContact OH-OE2 2.81Å; Y146-E157 VanDerWaalsContact OH-OE2 3.04Å; M153-E157 HydrophobicContact SD-CG 4.47Å; K154-E157 WeakPolarHBondContact O-CB 3.46Å; K154-E157 PolarHBondContact O-N 2.77Å; E155-E157 VanDerWaalsContact C-N 3.3Å; E155-E157 PolarHBondContact O-N 2.94Å; E157-R159 PolarHBondContact O-N 3.24Å; E157-A160 PolarHBondContact O-N 2.56Å; E157-A160 VanDerWaalsContact O-N 3.14Å; E157-K161 PolarHBondContact O-N 2.69Å
158	A	96.7	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-41.7	174	0	0	0	0	0	111.1	M153 K154 E155 K161 F162 L249 V250 W309	M153-A158 HydrophobicContact CB-CB 4.05Å; K154-A158 PolarHBondContact O-N 2.56Å; E155-A158 PolarHBondContact O-N 3.39Å; A158-K161 PolarHBondContact O-N 2.77Å; A158-F162 WeakPolarHBondContact O-CB 3.31Å; A158-F162 PolarHBondContact O-N 3.05Å; A158-L249 HydrophobicContact CB-CB 4.17Å; A158-V250 HydrophobicContact CB-CG1 3.65Å; A158-W309 HydrophobicContact CB-CH2 4.28Å
159	R	98.1	Very high	94.6	Very high	20 Å²	20	40.8 Å²	40.8	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.5	179.9	-175.4	-56.8	132.4	11.9	112.4	E155 E157 K161 F162 R163 W309 V312	E155-R159 WeakPolarHBondContact O-CB 3.13Å; E155-R159 PolarHBondContact O-N 3.42Å; E157-R159 PolarHBondContact O-N 3.24Å; R159-K161 VanDerWaalsContact C-N 3.27Å; R159-K161 PolarHBondContact O-N 3.38Å; R159-F162 PolarHBondContact O-N 3.3Å; R159-R163 HydrophobicContact CG-CG 4.25Å; R159-R163 WeakPolarHBondContact O-CB 3.29Å; R159-R163 VanDerWaalsContact O-CG 3.26Å; R159-R163 WeakPolarHBondContact O-CG 3.21Å; R159-R163 PolarHBondContact O-N 3.41Å; R159-W309 HydrophobicContact CB-CH2 3.77Å; R159-W309 HydrophobicContact CB-CZ2 4.22Å; R159-W309 HydrophobicContact CB-CZ3 3.94Å; R159-W309 WeakPolarHBondContact CD-O 3.28Å; R159-W309 HydrophobicContact CG-CZ3 4.3Å; R159-W309 PolarHBondContact NE-O 2.92Å; R159-V312 WeakPolarHBondContact CD-O 3.29Å; R159-V312 PolarHBondContact NH1-O 3.02Å
160	A	96.8	Very high	95.5	Very high	40 Å²	40	39.2 Å²	39.2	33%	0.331	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-40.2	178.9	0	0	0	0	0	111.9	K156 E157	K156-A160 PolarHBondContact O-N 2.88Å; E157-A160 PolarHBondContact O-N 2.56Å; E157-A160 VanDerWaalsContact O-N 3.14Å
161	K	97	Very high	96.4	Very high	29 Å²	29	35.6 Å²	35.6	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-72.7	-43.9	174	-54.4	-48.6	169.6	-162	0	112.2	E157 A158 R159 R163 Q164 I165 M193 I195	E157-K161 PolarHBondContact O-N 2.69Å; A158-K161 PolarHBondContact O-N 2.77Å; R159-K161 VanDerWaalsContact C-N 3.27Å; R159-K161 PolarHBondContact O-N 3.38Å; K161-R163 PolarHBondContact O-N 3.44Å; K161-Q164 WeakPolarHBondContact O-CB 3.26Å; K161-Q164 PolarHBondContact O-N 2.89Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; K161-I165 WeakPolarHBondContact O-CG1 3.34Å; K161-I165 PolarHBondContact O-N 2.96Å; K161-M193 WeakPolarHBondContact CE-O 3.41Å; K161-M193 PolarHBondContact NZ-O 2.82Å; K161-I195 HydrophobicContact CB-CD1 4.07Å; K161-I195 HydrophobicContact CB-CG1 4.02Å; K161-I195 HydrophobicContact CD-CD1 4.48Å; K161-I195 HydrophobicContact CD-CG1 4.26Å
162	F	98.3	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.7	-30.5	-175.6	-161.8	-113.5	0	0	0	112.8	A158 R159 I165 V166 L242 L246 L286 L290 W309 M310	A158-F162 WeakPolarHBondContact O-CB 3.31Å; A158-F162 PolarHBondContact O-N 3.05Å; R159-F162 PolarHBondContact O-N 3.3Å; F162-I165 HydrophobicContact CD2-CD1 4.21Å; F162-I165 PolarHBondContact O-N 3.03Å; F162-V166 HydrophobicContact CD1-CG2 4Å; F162-V166 HydrophobicContact CE1-CG2 3.7Å; F162-V166 HydrophobicContact CE2-CG2 4.37Å; F162-V166 HydrophobicContact CG-CG2 4.44Å; F162-V166 HydrophobicContact CZ-CG2 3.9Å; F162-V166 WeakPolarHBondContact O-CB 3.31Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.23Å; F162-V166 PolarHBondContact O-N 3.13Å; F162-L242 HydrophobicContact CE2-CB 4.14Å; F162-L242 HydrophobicContact CE2-CD2 4.15Å; F162-L242 WeakPolarHBondContact CE2-O 3.48Å; F162-L242 HydrophobicContact CZ-CB 4.04Å; F162-L242 WeakPolarHBondContact CZ-O 3.5Å; F162-L246 HydrophobicContact CD1-CD1 4.07Å; F162-L246 HydrophobicContact CD1-CD2 4.39Å; F162-L246 HydrophobicContact CD2-CB 4.18Å; F162-L246 HydrophobicContact CD2-CD1 4.45Å; F162-L246 HydrophobicContact CE1-CB 4.2Å; F162-L246 HydrophobicContact CE1-CD1 4.4Å; F162-L246 HydrophobicContact CE1-CD2 3.97Å; F162-L246 HydrophobicContact CE1-CG 4.42Å; F162-L246 HydrophobicContact CE2-CB 3.76Å; F162-L246 HydrophobicContact CG-CD1 4.12Å; F162-L246 HydrophobicContact CZ-CB 3.78Å; F162-L246 HydrophobicContact CZ-CD2 4.29Å; F162-L246 HydrophobicContact CZ-CG 4.48Å; F162-L286 HydrophobicContact CE1-CD2 4.33Å; F162-L290 HydrophobicContact CE1-CD1 4.2Å; F162-L290 HydrophobicContact CZ-CD1 3.95Å; F162-W309 HydrophobicContact CB-CZ3 4.4Å; F162-W309 HydrophobicContact CD1-CZ3 4.1Å; F162-M310 HydrophobicContact CD1-CE 3.95Å; F162-M310 HydrophobicContact CD1-SD 3.52Å; F162-M310 VanDerWaalsContact CD1-SD 3.52Å; F162-M310 HydrophobicContact CE1-CE 4.44Å; F162-M310 HydrophobicContact CE1-SD 3.99Å
163	R	98.6	Very high	97.3	Very high	27 Å²	27	30.5 Å²	30.5	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-46.1	167	-72.6	171.1	67	88.5	-3	111.7	R159 K161 S167 M310 N311 E317 L319	R159-R163 HydrophobicContact CG-CG 4.25Å; R159-R163 WeakPolarHBondContact O-CB 3.29Å; R159-R163 VanDerWaalsContact O-CG 3.26Å; R159-R163 WeakPolarHBondContact O-CG 3.21Å; R159-R163 PolarHBondContact O-N 3.41Å; K161-R163 PolarHBondContact O-N 3.44Å; R163-S167 WeakPolarHBondContact O-CB 3.22Å; R163-S167 PolarHBondContact O-N 3.31Å; R163-M310 WeakPolarHBondContact CD-O 3.3Å; R163-M310 HydrophobicContact CG-CE 4.03Å; R163-M310 PolarHBondContact NH1-O 2.79Å; R163-N311 PolarHBondContact NH1-OD1 3.18Å; R163-E317 PolarHBondContact NH2-O 3.03Å; R163-L319 HydrophobicContact CB-CD1 4.46Å; R163-L319 HydrophobicContact CB-CD2 4.09Å; R163-L319 HydrophobicContact CG-CD2 4.15Å
164	Q	98.5	Very high	97.5	Very high	39 Å²	39	35.5 Å²	35.5	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.3	-69.2	178.6	-20.6	0	0	112	H115 N117 K161 A168 N194 I195	H115-Q164 PolarHBondContact CE1-O 2.51Å; N117-Q164 HydrophobicContact CB-CB 4.33Å; K161-Q164 WeakPolarHBondContact O-CB 3.26Å; K161-Q164 PolarHBondContact O-N 2.89Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-A168 PolarHBondContact O-N 3.08Å; Q164-A168 VanDerWaalsContact O-N 3.08Å; Q164-N194 PolarHBondContact NE2-OD1 3.14Å; Q164-I195 HydrophobicContact CB-CB 3.94Å; Q164-I195 HydrophobicContact CB-CG1 4.09Å
165	I	98.5	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-50.8	177.1	-60.2	162.1	0	0	0	110.7	K161 F162 S167 A168 V169 L187 I195 I197 L242 I245 L249	K161-I165 WeakPolarHBondContact O-CG1 3.34Å; K161-I165 PolarHBondContact O-N 2.96Å; F162-I165 HydrophobicContact CD2-CD1 4.21Å; F162-I165 PolarHBondContact O-N 3.03Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.05Å; I165-A168 PolarHBondContact O-N 3.23Å; I165-V169 HydrophobicContact CG2-CG2 4.37Å; I165-V169 WeakPolarHBondContact O-CG2 3.28Å; I165-V169 PolarHBondContact O-N 2.81Å; I165-L187 HydrophobicContact CD1-CD1 3.68Å; I165-L187 HydrophobicContact CD1-CD2 4.47Å; I165-L187 HydrophobicContact CG1-CD1 4.33Å; I165-L187 HydrophobicContact CG1-CD2 4.22Å; I165-L187 HydrophobicContact CG2-CD2 4.34Å; I165-I195 HydrophobicContact CD1-CD1 4.1Å; I165-I195 HydrophobicContact CD1-CG1 4.41Å; I165-I195 HydrophobicContact CG1-CB 4.39Å; I165-I195 HydrophobicContact CG1-CD1 4.04Å; I165-I195 HydrophobicContact CG1-CG1 3.93Å; I165-I195 HydrophobicContact CG1-CG2 3.76Å; I165-I197 HydrophobicContact CG2-CD1 4.26Å; I165-L242 HydrophobicContact CG2-CD2 3.28Å; I165-I245 HydrophobicContact CD1-CG2 4.21Å; I165-L249 HydrophobicContact CD1-CD1 4.5Å
166	V	98.6	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-40.3	-179.2	168.9	0	0	0	0	111.3	F162 Q170 L301 M305 M310 L319	F162-V166 HydrophobicContact CD1-CG2 4Å; F162-V166 HydrophobicContact CE1-CG2 3.7Å; F162-V166 HydrophobicContact CE2-CG2 4.37Å; F162-V166 HydrophobicContact CG-CG2 4.44Å; F162-V166 HydrophobicContact CZ-CG2 3.9Å; F162-V166 WeakPolarHBondContact O-CB 3.31Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.23Å; F162-V166 PolarHBondContact O-N 3.13Å; V166-Q170 VanDerWaalsContact O-CB 3.22Å; V166-Q170 WeakPolarHBondContact O-CB 3.29Å; V166-Q170 PolarHBondContact O-N 2.82Å; V166-L301 HydrophobicContact CG1-CD2 4.44Å; V166-M305 HydrophobicContact CG1-CG 3.57Å; V166-M310 HydrophobicContact CB-CE 3.96Å; V166-M310 HydrophobicContact CG1-CE 4.26Å; V166-M310 HydrophobicContact CG2-CE 3.83Å; V166-L319 HydrophobicContact CB-CD2 4.41Å; V166-L319 HydrophobicContact CG1-CD2 4.21Å
167	S	98.7	Very high	97.3	Very high	13 Å²	13	29.5 Å²	29.5	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-48.1	174.1	-176.3	0	0	0	0	112.2	H115 R163 I165 Y171	H115-S167 WeakPolarHBondContact NE2-CB 3.42Å; H115-S167 PolarHBondContact NE2-O 2.93Å; H115-S167 PolarHBondContact NE2-OG 3.05Å; R163-S167 WeakPolarHBondContact O-CB 3.22Å; R163-S167 PolarHBondContact O-N 3.31Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.05Å; S167-Y171 WeakPolarHBondContact O-CB 3.47Å; S167-Y171 PolarHBondContact O-N 2.85Å
168	A	98.4	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-44	179.9	0	0	0	0	0	112.8	H115 N117 I118 Q164 I165 Y171 C172 I197	H115-A168 PolarHBondContact NE2-N 2.97Å; N117-A168 HydrophobicContact CB-CB 4.2Å; I118-A168 HydrophobicContact CD1-CB 4.29Å; I118-A168 HydrophobicContact CG1-CB 3.84Å; Q164-A168 PolarHBondContact O-N 3.08Å; Q164-A168 VanDerWaalsContact O-N 3.08Å; I165-A168 PolarHBondContact O-N 3.23Å; A168-Y171 PolarHBondContact O-N 2.8Å; A168-C172 PolarHBondContact O-N 2.69Å; A168-C172 VanDerWaalsContact O-N 3.12Å; A168-C172 PolarHBondContact O-SG 2.89Å; A168-C172 VanDerWaalsContact O-SG 3.37Å; A168-I197 HydrophobicContact CB-CD1 3.6Å; A168-I197 HydrophobicContact CB-CG1 4.25Å
169	V	98.4	Very high	97.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-72	-37.3	-179.8	-178.1	0	0	0	0	111.5	I165 Y171 C172 H173 L182 I197 D238 L242 L301	I165-V169 HydrophobicContact CG2-CG2 4.37Å; I165-V169 WeakPolarHBondContact O-CG2 3.28Å; I165-V169 PolarHBondContact O-N 2.81Å; V169-Y171 VanDerWaalsContact C-N 3.34Å; V169-C172 WeakPolarHBondContact O-CB 3.45Å; V169-C172 PolarHBondContact O-N 2.93Å; V169-H173 PolarHBondContact O-CD2 2.81Å; V169-H173 PolarHBondContact O-N 2.95Å; V169-L182 HydrophobicContact CG1-CD1 4Å; V169-L182 HydrophobicContact CG2-CD1 3.77Å; V169-L182 HydrophobicContact CG2-CD2 4.11Å; V169-I197 HydrophobicContact CG2-CD1 3.7Å; V169-D238 HydrophobicContact CG1-CB 4.08Å; V169-L242 HydrophobicContact CB-CD1 4.17Å; V169-L242 HydrophobicContact CG1-CD1 4.07Å; V169-L242 HydrophobicContact CG2-CD1 4.36Å; V169-L242 HydrophobicContact CG2-CD2 4.33Å; V169-L301 HydrophobicContact CB-CD1 3.97Å; V169-L301 HydrophobicContact CG1-CD1 3.69Å
170	Q	98.3	Very high	97	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-39.5	174.3	-175.5	-82	-27.7	0	0	111.5	V166 C172 H173 Q174 L301 E302 M305	V166-Q170 VanDerWaalsContact O-CB 3.22Å; V166-Q170 WeakPolarHBondContact O-CB 3.29Å; V166-Q170 PolarHBondContact O-N 2.82Å; Q170-C172 PolarHBondContact O-N 3.11Å; Q170-H173 PolarHBondContact O-N 3.27Å; Q170-H173 VanDerWaalsContact O-N 3.15Å; Q170-Q174 WeakPolarHBondContact O-CB 3.37Å; Q170-Q174 PolarHBondContact O-N 2.99Å; Q170-L301 HydrophobicContact CB-CB 3.86Å; Q170-L301 HydrophobicContact CB-CD1 3.97Å; Q170-L301 HydrophobicContact CG-CB 3.99Å; Q170-E302 HydrophobicContact CG-CG 4.44Å; Q170-M305 HydrophobicContact CB-CE 4.27Å; Q170-M305 HydrophobicContact CB-SD 4.06Å; Q170-M305 HydrophobicContact CG-CE 4.35Å; Q170-M305 HydrophobicContact CG-SD 3.75Å
171	Y	98.3	Very high	96.7	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-58.7	-44	172.4	166.7	-97.5	0	0	0	112.1	L113 N114 H115 I118 S167 A168 V169 H173 Q174 R175 Y322 E324	L113-Y171 HydrophobicContact CB-CE1 4.39Å; L113-Y171 HydrophobicContact CD2-CD1 4.06Å; L113-Y171 HydrophobicContact CD2-CE1 3.55Å; N114-Y171 PolarHBondContact N-OH 2.75Å; H115-Y171 HydrophobicContact CB-CD1 3.7Å; H115-Y171 HydrophobicContact CB-CE1 3.79Å; H115-Y171 HydrophobicContact CB-CG 4.23Å; H115-Y171 AromaticContact CD2-CG 3.89Å; I118-Y171 HydrophobicContact CD1-CD1 3.89Å; I118-Y171 HydrophobicContact CD1-CE1 4.2Å; S167-Y171 WeakPolarHBondContact O-CB 3.47Å; S167-Y171 PolarHBondContact O-N 2.85Å; A168-Y171 PolarHBondContact O-N 2.8Å; V169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-H173 PolarHBondContact O-N 3.15Å; Y171-Q174 PolarHBondContact O-N 3.36Å; Y171-R175 PolarHBondContact O-N 2.78Å; Y171-R175 VanDerWaalsContact O-N 3.12Å; Y171-R175 PolarHBondContact OH-NE 2.91Å; Y171-R175 VanDerWaalsContact OH-NE 3.12Å; Y171-Y322 AromaticContact CD2-CD1 3.66Å; Y171-Y322 HydrophobicContact CD2-CD1 3.66Å; Y171-Y322 HydrophobicContact CD2-CE1 4.37Å; Y171-Y322 HydrophobicContact CE2-CD1 4.01Å; Y171-Y322 HydrophobicContact CE2-CE1 4.28Å; Y171-Y322 HydrophobicContact CG-CD1 4.3Å; Y171-E324 HydrophobicContact CE2-CB 4.27Å; Y171-E324 WeakPolarHBondContact CE2-OE2 3.14Å; Y171-E324 PolarHBondContact OH-OE2 2.86Å
172	C	97.6	Very high	96.6	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.034	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-47.4	171.7	-66.9	0	0	0	0	111.9	I118 A168 V169 Q170 Q174 R175 R176 I177	I118-C172 VanDerWaalsContact CD1-SG 3.58Å; A168-C172 PolarHBondContact O-N 2.69Å; A168-C172 VanDerWaalsContact O-N 3.12Å; A168-C172 PolarHBondContact O-SG 2.89Å; A168-C172 VanDerWaalsContact O-SG 3.37Å; V169-C172 WeakPolarHBondContact O-CB 3.45Å; V169-C172 PolarHBondContact O-N 2.93Å; Q170-C172 PolarHBondContact O-N 3.11Å; C172-Q174 VanDerWaalsContact C-N 3.33Å; C172-Q174 PolarHBondContact O-N 2.77Å; C172-R175 CarbonylContact O-C 3.52Å; C172-R175 WeakPolarHBondContact O-CA 3.35Å; C172-R175 PolarHBondContact O-N 2.64Å; C172-R176 PolarHBondContact O-N 3.46Å; C172-I177 CarbonylContact C-O 3.44Å; C172-I177 HydrophobicContact CB-CB 4.31Å; C172-I177 HydrophobicContact CB-CG2 4.34Å; C172-I177 PolarHBondContact O-N 3.4Å; C172-I177 VanDerWaalsContact O-O 3.11Å
173	H	96.4	Very high	96.1	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.093	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-37.7	-179.2	-68.1	-176.7	0	0	0	112.4	V169 Q170 Y171 R175 R176 I177 F206 P235 D238	V169-H173 PolarHBondContact O-CD2 2.81Å; V169-H173 PolarHBondContact O-N 2.95Å; Q170-H173 PolarHBondContact O-N 3.27Å; Q170-H173 VanDerWaalsContact O-N 3.15Å; Y171-H173 PolarHBondContact O-N 3.15Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 3.09Å; H173-R176 PolarHBondContact O-N 3.12Å; H173-I177 PolarHBondContact CD2-O 2.77Å; H173-I177 PolarHBondContact N-O 3.37Å; H173-F206 WeakPolarHBondContact O-CZ 3.43Å; H173-P235 PolarHBondContact CE1-O 2.79Å; H173-P235 VanDerWaalsContact CE1-O 3.28Å; H173-D238 IonicContact CD2-OD2 2.72Å; H173-D238 IonicContact CE1-OD2 2.69Å; H173-D238 IonicContact NE2-OD2 3.84Å; H173-D238 PolarHBondContact NE2-OD2 3.38Å
174	Q	95.8	Very high	95.3	Very high	107 Å²	107	23.6 Å²	23.6	50%	0.5	10%	0.101	S	C	.	.	H	α-helix	trans	-62.5	-35.8	173.4	-175.5	173.1	-11.7	0	0	111.8	Q170 Y171 C172 R176	Q170-Q174 WeakPolarHBondContact O-CB 3.37Å; Q170-Q174 PolarHBondContact O-N 2.99Å; Y171-Q174 PolarHBondContact O-N 3.36Å; C172-Q174 VanDerWaalsContact C-N 3.33Å; C172-Q174 PolarHBondContact O-N 2.77Å; Q174-R176 PolarHBondContact O-N 2.87Å
175	R	95.2	Very high	94.4	Very high	113 Å²	113	23.3 Å²	23.3	43%	0.426	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	15.1	172.5	-63.8	-158.7	169.8	-67.6	2.8	114.5	Y171 C172 H173 I177 E324	Y171-R175 PolarHBondContact O-N 2.78Å; Y171-R175 VanDerWaalsContact O-N 3.12Å; Y171-R175 PolarHBondContact OH-NE 2.91Å; Y171-R175 VanDerWaalsContact OH-NE 3.12Å; C172-R175 CarbonylContact O-C 3.52Å; C172-R175 WeakPolarHBondContact O-CA 3.35Å; C172-R175 PolarHBondContact O-N 2.64Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 3.09Å; R175-I177 HydrophobicContact CB-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.82Å; R175-E324 IonicContact CZ-OE2 2.71Å; R175-E324 IonicContact NE-OE2 3.08Å; R175-E324 PolarHBondContact NE-OE2 3.43Å; R175-E324 IonicContact NH2-OE2 2.64Å; R175-E324 PolarHBondContact NH2-OE2 3.28Å
176	R	95.3	Very high	94	Very high	129 Å²	129	23.9 Å²	23.9	49%	0.487	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	24.6	-179	-57	-58.9	-177.5	-156	-2.2	114.7	C172 H173 Q174 E205 F206	C172-R176 PolarHBondContact O-N 3.46Å; H173-R176 PolarHBondContact O-N 3.12Å; Q174-R176 PolarHBondContact O-N 2.87Å; R176-E205 CarbonylContact O-C 3.57Å; R176-E205 WeakPolarHBondContact O-CA 3.45Å; R176-F206 VanDerWaalsContact CA-CE1 3.41Å; R176-F206 HydrophobicContact CB-CD1 4.47Å; R176-F206 HydrophobicContact CB-CE1 4.34Å; R176-F206 WeakPolarHBondContact O-CD1 3.44Å; R176-F206 PolarHBondContact O-N 2.81Å
177	I	95.6	Very high	93.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.3	178.8	-67	156.5	0	0	0	109.4	I109 L113 C172 H173 R175 E205	I109-I177 HydrophobicContact CD1-CG2 4.3Å; I109-I177 HydrophobicContact CG1-CD1 4.47Å; I109-I177 HydrophobicContact CG1-CG1 4.35Å; I109-I177 HydrophobicContact CG2-CD1 4.21Å; I109-I177 HydrophobicContact CG2-CG2 3.9Å; L113-I177 HydrophobicContact CD2-CD1 3.86Å; L113-I177 HydrophobicContact CG-CD1 4.19Å; C172-I177 CarbonylContact C-O 3.44Å; C172-I177 HydrophobicContact CB-CB 4.31Å; C172-I177 HydrophobicContact CB-CG2 4.34Å; C172-I177 PolarHBondContact O-N 3.4Å; C172-I177 VanDerWaalsContact O-O 3.11Å; H173-I177 PolarHBondContact CD2-O 2.77Å; H173-I177 PolarHBondContact N-O 3.37Å; R175-I177 HydrophobicContact CB-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.82Å; I177-E205 HydrophobicContact CG1-CG 4.28Å
178	V	94.9	Very high	93.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.7	172.5	-74.1	0	0	0	0	110.6	R180 S203 N204 F206 L212 G234 P235 D238	V178-R180 HydrophobicContact CB-CG 4.15Å; V178-R180 HydrophobicContact CG2-CG 3.95Å; V178-S203 CarbonylContact O-C 3.5Å; V178-S203 WeakPolarHBondContact O-CA 3.47Å; V178-S203 VanDerWaalsContact O-CB 3.23Å; V178-S203 WeakPolarHBondContact O-CB 3.37Å; V178-N204 WeakPolarHBondContact CG2-O 3.29Å; V178-N204 PolarHBondContact N-O 2.87Å; V178-N204 PolarHBondContact O-N 3.38Å; V178-F206 HydrophobicContact CB-CD1 4.45Å; V178-F206 HydrophobicContact CG1-CD1 3.51Å; V178-F206 HydrophobicContact CG1-CE1 3.77Å; V178-F206 HydrophobicContact CG1-CG 4.37Å; V178-F206 HydrophobicContact CG2-CD1 4.37Å; V178-L212 HydrophobicContact CG2-CD1 3.88Å; V178-G234 VanDerWaalsContact CG1-C 3.46Å; V178-P235 HydrophobicContact CG1-CG 4Å; V178-D238 WeakPolarHBondContact CA-OD2 3.18Å
179	H	95	Very high	93.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	11%	0.11	C	C	.	.			trans	-82.1	-48.1	-170.2	-171.4	-84.6	0	0	0	112.3	D181 L182 A198 D199 F200 F202 S203 D238	H179-D181 PolarHBondContact CE1-O 3.32Å; H179-D181 VanDerWaalsContact CE1-O 3.28Å; H179-D181 VanDerWaalsContact ND1-C 3.26Å; H179-D181 PolarHBondContact ND1-N 3.37Å; H179-D181 PolarHBondContact ND1-O 3.14Å; H179-D181 PolarHBondContact O-N 3.2Å; H179-L182 HydrophobicContact CB-CD1 4.35Å; H179-L182 HydrophobicContact CB-CD2 4.06Å; H179-L182 HydrophobicContact CB-CG 3.84Å; H179-L182 PolarHBondContact ND1-N 2.99Å; H179-A198 PolarHBondContact NE2-O 2.97Å; H179-D199 PolarHBondContact NE2-O 3.08Å; H179-F200 AromaticContact CD2-CD1 3.82Å; H179-F200 AromaticContact CD2-CE1 3.7Å; H179-F202 CarbonylContact O-C 3.34Å; H179-S203 WeakPolarHBondContact CA-OG 3.22Å; H179-S203 WeakPolarHBondContact O-CA 3.46Å; H179-S203 PolarHBondContact O-N 2.91Å; H179-S203 PolarHBondContact O-OG 3.4Å; H179-D238 PolarHBondContact N-OD1 2.89Å; H179-D238 PolarHBondContact N-OD2 3.29Å
180	R	93	Very high	92.9	Very high	15 Å²	15	26.4 Å²	26.4	6%	0.057	12%	0.115	C	C	.	.	S	Bend	trans	65.8	-8.9	174.8	-49.6	-169.5	-60.3	168.1	1.2	117.8	V178 F202 G217 Y232 V237 D238	V178-R180 HydrophobicContact CB-CG 4.15Å; V178-R180 HydrophobicContact CG2-CG 3.95Å; R180-F202 PolarHBondContact NE-O 3.07Å; R180-F202 PolarHBondContact NH2-O 3.28Å; R180-G217 WeakPolarHBondContact O-CA 3.22Å; R180-Y232 WeakPolarHBondContact CD-OH 3.38Å; R180-Y232 PolarHBondContact NH1-OH 3.25Å; R180-V237 HydrophobicContact CG-CG2 4.31Å; R180-D238 PolarHBondContact N-OD1 3.18Å
181	D	91.1	Very high	92.4	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.135	C	C	.	.			trans	-129.6	48.5	167.5	-167.7	36.4	0	0	0	111.6	H179 K183 N186 F202 G217 S218	H179-D181 PolarHBondContact CE1-O 3.32Å; H179-D181 VanDerWaalsContact CE1-O 3.28Å; H179-D181 VanDerWaalsContact ND1-C 3.26Å; H179-D181 PolarHBondContact ND1-N 3.37Å; H179-D181 PolarHBondContact ND1-O 3.14Å; H179-D181 PolarHBondContact O-N 3.2Å; D181-K183 PolarHBondContact O-N 3.44Å; D181-K183 IonicContact OD1-NZ 2.72Å; D181-K183 IonicContact OD2-NZ 2.89Å; D181-K183 PolarHBondContact OD2-NZ 3.16Å; D181-N186 PolarHBondContact O-ND2 3.31Å; D181-N186 PolarHBondContact OD2-ND2 3.31Å; D181-F202 HydrophobicContact CB-CB 4Å; D181-F202 HydrophobicContact CB-CD2 3.66Å; D181-F202 HydrophobicContact CB-CG 4.14Å; D181-G217 WeakPolarHBondContact OD1-CA 3.17Å; D181-S218 WeakPolarHBondContact OD1-CB 3.37Å; D181-S218 PolarHBondContact OD1-N 2.69Å; D181-S218 PolarHBondContact OD1-OG 2.84Å
182	L	94.1	Very high	91.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.161	C	C	.	.			trans	-72.4	118.7	173.1	-74.3	174.5	0	0	0	109.9	V169 H179 I197 Y221 D238 L242 I245	V169-L182 HydrophobicContact CG1-CD1 4Å; V169-L182 HydrophobicContact CG2-CD1 3.77Å; V169-L182 HydrophobicContact CG2-CD2 4.11Å; H179-L182 HydrophobicContact CB-CD1 4.35Å; H179-L182 HydrophobicContact CB-CD2 4.06Å; H179-L182 HydrophobicContact CB-CG 3.84Å; H179-L182 PolarHBondContact ND1-N 2.99Å; L182-I197 HydrophobicContact CD2-CG2 4.27Å; L182-Y221 WeakPolarHBondContact O-CB 3.3Å; L182-D238 HydrophobicContact CD1-CB 3.74Å; L182-L242 HydrophobicContact CD1-CD2 4.2Å; L182-L242 HydrophobicContact CD1-CG 4.1Å; L182-I245 HydrophobicContact CB-CD1 4.02Å
183	K	87.5	Confident	91.5	Very high	29 Å²	29	34.9 Å²	34.9	13%	0.126	17%	0.167	C	C	.	.			trans	-154.9	162.4	-177.4	65	-170.2	-173.6	-149	0	110.5	D181 E185 N186 L187 S218 Y221	D181-K183 PolarHBondContact O-N 3.44Å; D181-K183 IonicContact OD1-NZ 2.72Å; D181-K183 IonicContact OD2-NZ 2.89Å; D181-K183 PolarHBondContact OD2-NZ 3.16Å; K183-E185 WeakPolarHBondContact CB-OE2 3.39Å; K183-E185 HydrophobicContact CD-CB 4.19Å; K183-E185 HydrophobicContact CG-CB 3.99Å; K183-E185 WeakPolarHBondContact CG-OE2 3.35Å; K183-E185 PolarHBondContact O-N 2.86Å; K183-N186 WeakPolarHBondContact CE-ND2 3.34Å; K183-N186 VanDerWaalsContact CE-OD1 3.31Å; K183-N186 WeakPolarHBondContact CE-OD1 3.4Å; K183-N186 HydrophobicContact CG-CB 3.97Å; K183-N186 PolarHBondContact O-N 2.81Å; K183-L187 PolarHBondContact O-N 2.79Å; K183-S218 WeakPolarHBondContact CD-OG 3.46Å; K183-S218 PolarHBondContact NZ-OG 3.34Å; K183-Y221 HydrophobicContact CB-CD1 4.18Å; K183-Y221 HydrophobicContact CB-CD2 3.6Å; K183-Y221 HydrophobicContact CB-CE1 4.05Å; K183-Y221 HydrophobicContact CB-CE2 3.43Å; K183-Y221 VanDerWaalsContact CB-CE2 3.43Å; K183-Y221 HydrophobicContact CB-CG 3.97Å
184	A	81.9	Confident	91.4	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.033	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25.5	-176	0	0	0	0	0	113.8	F144 N186 L187 Y221	F144-A184 HydrophobicContact CB-CB 3.88Å; F144-A184 HydrophobicContact CD2-CB 3.82Å; F144-A184 HydrophobicContact CG-CB 4.31Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-L187 PolarHBondContact O-N 2.83Å; A184-Y221 WeakPolarHBondContact CB-OH 3.46Å; A184-Y221 PolarHBondContact N-OH 2.72Å; A184-Y221 VanDerWaalsContact N-OH 3.16Å
185	E	79.6	Confident	91.4	Very high	33 Å²	33	31.2 Å²	31.2	15%	0.154	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.3	-33.2	172	-60.9	87.3	151.9	0	0	113.2	E142 K183 L187 Y221 S760	E142-E185 WeakPolarHBondContact OE2-CA 3.4Å; K183-E185 WeakPolarHBondContact CB-OE2 3.39Å; K183-E185 HydrophobicContact CD-CB 4.19Å; K183-E185 HydrophobicContact CG-CB 3.99Å; K183-E185 WeakPolarHBondContact CG-OE2 3.35Å; K183-E185 PolarHBondContact O-N 2.86Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-Y221 PolarHBondContact OE2-OH 2.89Å; E185-S760 WeakPolarHBondContact CG-OG 3.31Å; E185-S760 WeakPolarHBondContact OE1-CB 3.44Å
186	N	89.7	Confident	91.5	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-91.2	4.7	-177.8	-71.3	-2.4	0	0	0	112.1	D181 K183 A184 A198	D181-N186 PolarHBondContact O-ND2 3.31Å; D181-N186 PolarHBondContact OD2-ND2 3.31Å; K183-N186 WeakPolarHBondContact CE-ND2 3.34Å; K183-N186 VanDerWaalsContact CE-OD1 3.31Å; K183-N186 WeakPolarHBondContact CE-OD1 3.4Å; K183-N186 HydrophobicContact CG-CB 3.97Å; K183-N186 PolarHBondContact O-N 2.81Å; A184-N186 VanDerWaalsContact C-N 3.34Å; N186-A198 PolarHBondContact O-N 2.02Å
187	L	93.4	Very high	91.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	100.3	173	-60.3	179.7	0	0	0	108.8	V143 I165 K183 A184 E185 I197 I245	V143-L187 HydrophobicContact CB-CB 4Å; V143-L187 HydrophobicContact CG2-CB 3.72Å; V143-L187 WeakPolarHBondContact CG2-O 3.26Å; V143-L187 PolarHBondContact N-O 2.91Å; I165-L187 HydrophobicContact CD1-CD1 3.68Å; I165-L187 HydrophobicContact CD1-CD2 4.47Å; I165-L187 HydrophobicContact CG1-CD1 4.33Å; I165-L187 HydrophobicContact CG1-CD2 4.22Å; I165-L187 HydrophobicContact CG2-CD2 4.34Å; K183-L187 PolarHBondContact O-N 2.79Å; A184-L187 PolarHBondContact O-N 2.83Å; E185-L187 VanDerWaalsContact C-N 3.3Å; L187-I197 HydrophobicContact CD2-CD1 4.28Å; L187-I197 HydrophobicContact CD2-CG1 3.83Å; L187-I245 HydrophobicContact CD1-CD1 4.15Å; L187-I245 HydrophobicContact CD1-CG1 4.42Å; L187-I245 HydrophobicContact CD1-CG2 3.75Å
188	L	94.1	Very high	91.5	Very high	41 Å²	41	21.3 Å²	21.3	22%	0.215	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	165.8	177.4	-50.5	-178.3	0	0	0	111.1	A138 G141 E142 I195 K196 A198	A138-L188 HydrophobicContact CB-CB 3.56Å; A138-L188 HydrophobicContact CB-CD1 3.96Å; A138-L188 HydrophobicContact CB-CG 4.42Å; G141-L188 CarbonylContact O-C 3.43Å; G141-L188 WeakPolarHBondContact O-CA 3.1Å; E142-L188 HydrophobicContact CG-CD2 3.74Å; L188-I195 CarbonylContact O-C 3.55Å; L188-I195 WeakPolarHBondContact O-CA 3.39Å; L188-K196 HydrophobicContact CB-CB 4.24Å; L188-K196 WeakPolarHBondContact CB-O 3.46Å; L188-K196 PolarHBondContact N-O 3.49Å; L188-K196 PolarHBondContact O-N 2.82Å; L188-A198 HydrophobicContact CD1-CB 3.83Å; L188-A198 HydrophobicContact CG-CB 4.1Å
189	L	92.6	Very high	91.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133	176.9	-68.4	165.6	0	0	0	110	A138 S139 G140 G141 V143 M193 N194 I195	A138-L189 CarbonylContact C-O 3.52Å; A138-L189 WeakPolarHBondContact CB-O 3.42Å; S139-L189 PolarHBondContact N-O 2.83Å; G140-L189 VanDerWaalsContact CA-O 3.22Å; G140-L189 WeakPolarHBondContact CA-O 3.39Å; G140-L189 PolarHBondContact N-O 3.19Å; G141-L189 PolarHBondContact O-N 3.21Å; V143-L189 HydrophobicContact CG2-CD1 4.17Å; V143-L189 HydrophobicContact CG2-CD2 3.89Å; V143-L189 HydrophobicContact CG2-CG 3.81Å; L189-M193 HydrophobicContact CD1-CE 3.74Å; L189-M193 VanDerWaalsContact CD2-O 3.3Å; L189-M193 WeakPolarHBondContact CD2-O 3.34Å; L189-N194 WeakPolarHBondContact CA-O 3.44Å; L189-I195 HydrophobicContact CD2-CD1 4.18Å
190	D	91	Very high	90.9	Very high	25 Å²	25	24 Å²	24	13%	0.134	13%	0.133	C	C	.	.			trans	-80.9	-177.5	170.5	70.4	20.2	0	0	0	112.7	D192 M193 N194 K196	D190-D192 PolarHBondContact O-N 2.86Å; D190-D192 WeakPolarHBondContact OD1-CA 3.13Å; D190-D192 PolarHBondContact OD1-N 2.68Å; D190-M193 WeakPolarHBondContact O-CA 3.27Å; D190-M193 PolarHBondContact O-N 3.16Å; D190-M193 PolarHBondContact OD1-N 3.05Å; D190-M193 VanDerWaalsContact OD1-N 3.14Å; D190-N194 PolarHBondContact N-O 2.85Å; D190-N194 PolarHBondContact OD1-N 3.11Å; D190-N194 PolarHBondContact OD1-ND2 2.92Å; D190-N194 WeakPolarHBondContact OD2-CB 3.48Å; D190-N194 PolarHBondContact OD2-ND2 2.98Å; D190-K196 HydrophobicContact CB-CG 4.19Å; D190-K196 WeakPolarHBondContact OD2-CE 3.19Å; D190-K196 IonicContact OD2-NZ 3.16Å
191	A	87.5	Confident	90.3	Very high	52 Å²	52	24.1 Å²	24.1	43%	0.43	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.3	-178.1	0	0	0	0	0	114
192	D	88.4	Confident	89.8	Confident	104 Å²	104	27.8 Å²	27.8	56%	0.556	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	10.9	175.9	-71.5	-49.4	0	0	0	112.3	D190 N194 R682	D190-D192 PolarHBondContact O-N 2.86Å; D190-D192 WeakPolarHBondContact OD1-CA 3.13Å; D190-D192 PolarHBondContact OD1-N 2.68Å; D192-N194 VanDerWaalsContact C-N 3.29Å; D192-N194 PolarHBondContact O-N 2.92Å; D192-R682 IonicContact OD1-CZ 3.49Å; D192-R682 IonicContact OD1-NH1 2.71Å; D192-R682 PolarHBondContact OD1-NH1 3.31Å
193	M	88.9	Confident	89.4	Confident	36 Å²	36	27.8 Å²	27.8	18%	0.177	16%	0.155	C	C	.	.			trans	65.4	23	-179.3	-55	-69.3	-68.9	0	0	113.8	Y146 K161 L189 D190 T684	Y146-M193 HydrophobicContact CD2-CE 3.77Å; Y146-M193 HydrophobicContact CE2-CE 4.23Å; K161-M193 WeakPolarHBondContact CE-O 3.41Å; K161-M193 PolarHBondContact NZ-O 2.82Å; L189-M193 HydrophobicContact CD1-CE 3.74Å; L189-M193 VanDerWaalsContact CD2-O 3.3Å; L189-M193 WeakPolarHBondContact CD2-O 3.34Å; D190-M193 WeakPolarHBondContact O-CA 3.27Å; D190-M193 PolarHBondContact O-N 3.16Å; D190-M193 PolarHBondContact OD1-N 3.05Å; D190-M193 VanDerWaalsContact OD1-N 3.14Å; M193-T684 HydrophobicContact CE-CG2 3.44Å; M193-T684 VanDerWaalsContact CE-CG2 3.44Å; M193-T684 HydrophobicContact SD-CG2 4.46Å
194	N	94.4	Very high	89.4	Confident	49 Å²	49	27.8 Å²	27.8	26%	0.262	16%	0.156	S	C	.	.			trans	-79.8	150.3	171.8	-55	-70.3	0	0	0	111	Q164 L189 D190 D192	Q164-N194 PolarHBondContact NE2-OD1 3.14Å; L189-N194 WeakPolarHBondContact CA-O 3.44Å; D190-N194 PolarHBondContact N-O 2.85Å; D190-N194 PolarHBondContact OD1-N 3.11Å; D190-N194 PolarHBondContact OD1-ND2 2.92Å; D190-N194 WeakPolarHBondContact OD2-CB 3.48Å; D190-N194 PolarHBondContact OD2-ND2 2.98Å; D192-N194 VanDerWaalsContact C-N 3.29Å; D192-N194 PolarHBondContact O-N 2.92Å
195	I	97.1	Very high	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	138.9	176.8	-66.2	-69.6	0	0	0	110.7	N117 V143 K161 Q164 I165 L188 L189 I197	N117-I195 WeakPolarHBondContact CA-O 3.33Å; N117-I195 HydrophobicContact CB-CB 4.47Å; N117-I195 HydrophobicContact CB-CG2 4.4Å; N117-I195 VanDerWaalsContact CB-O 3.27Å; N117-I195 WeakPolarHBondContact CB-O 2.98Å; N117-I195 PolarHBondContact ND2-O 2.98Å; V143-I195 HydrophobicContact CG2-CD1 3.36Å; K161-I195 HydrophobicContact CB-CD1 4.07Å; K161-I195 HydrophobicContact CB-CG1 4.02Å; K161-I195 HydrophobicContact CD-CD1 4.48Å; K161-I195 HydrophobicContact CD-CG1 4.26Å; Q164-I195 HydrophobicContact CB-CB 3.94Å; Q164-I195 HydrophobicContact CB-CG1 4.09Å; I165-I195 HydrophobicContact CD1-CD1 4.1Å; I165-I195 HydrophobicContact CD1-CG1 4.41Å; I165-I195 HydrophobicContact CG1-CB 4.39Å; I165-I195 HydrophobicContact CG1-CD1 4.04Å; I165-I195 HydrophobicContact CG1-CG1 3.93Å; I165-I195 HydrophobicContact CG1-CG2 3.76Å; L188-I195 CarbonylContact O-C 3.55Å; L188-I195 WeakPolarHBondContact O-CA 3.39Å; L189-I195 HydrophobicContact CD2-CD1 4.18Å; I195-I197 HydrophobicContact CG2-CG1 4.05Å
196	K	97.3	Very high	90	Very high	17 Å²	17	29.9 Å²	29.9	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	104.1	168.2	-62.2	-69.2	177.2	169	0	108.4	P116 N117 V119 E136 A138 L188 D190	P116-K196 WeakPolarHBondContact O-CE 3.39Å; P116-K196 PolarHBondContact O-NZ 3.02Å; N117-K196 CarbonylContact O-C 3.57Å; N117-K196 WeakPolarHBondContact O-CA 3.27Å; V119-K196 HydrophobicContact CG2-CB 3.89Å; E136-K196 VanDerWaalsContact OE1-CE 3.28Å; E136-K196 WeakPolarHBondContact OE1-CE 3.49Å; E136-K196 IonicContact OE1-NZ 3.97Å; E136-K196 PolarHBondContact OE1-NZ 2.83Å; E136-K196 IonicContact OE2-NZ 2.97Å; A138-K196 HydrophobicContact CB-CB 4.16Å; A138-K196 HydrophobicContact CB-CG 4.21Å; L188-K196 HydrophobicContact CB-CB 4.24Å; L188-K196 WeakPolarHBondContact CB-O 3.46Å; L188-K196 PolarHBondContact N-O 3.49Å; L188-K196 PolarHBondContact O-N 2.82Å; D190-K196 HydrophobicContact CB-CG 4.19Å; D190-K196 WeakPolarHBondContact OD2-CE 3.19Å; D190-K196 IonicContact OD2-NZ 3.16Å
197	I	97.3	Very high	89.7	Confident	3 Å²	3	34 Å²	34	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.1	175.3	-55.5	-170.5	0	0	0	109.2	N117 V119 I165 A168 V169 L182 L187 I195 F200	N117-I197 PolarHBondContact O-N 3.23Å; V119-I197 WeakPolarHBondContact CG2-O 3.36Å; V119-I197 PolarHBondContact N-O 3.49Å; I165-I197 HydrophobicContact CG2-CD1 4.26Å; A168-I197 HydrophobicContact CB-CD1 3.6Å; A168-I197 HydrophobicContact CB-CG1 4.25Å; V169-I197 HydrophobicContact CG2-CD1 3.7Å; L182-I197 HydrophobicContact CD2-CG2 4.27Å; L187-I197 HydrophobicContact CD2-CD1 4.28Å; L187-I197 HydrophobicContact CD2-CG1 3.83Å; I195-I197 HydrophobicContact CG2-CG1 4.05Å; I197-F200 HydrophobicContact CG2-CE2 4.49Å; I197-F200 HydrophobicContact CG2-CZ 4.33Å
198	A	93.4	Very high	89.1	Confident	16 Å²	16	39.5 Å²	39.5	13%	0.132	22%	0.224	C	C	.	.			trans	-129.1	167.4	-176.5	0	0	0	0	0	112.4	V119 H179 N186 L188	V119-A198 HydrophobicContact CG2-CB 3.97Å; H179-A198 PolarHBondContact NE2-O 2.97Å; N186-A198 PolarHBondContact O-N 2.02Å; L188-A198 HydrophobicContact CD1-CB 3.83Å; L188-A198 HydrophobicContact CG-CB 4.1Å
199	D	86.4	Confident	88.4	Confident	58 Å²	58	41.1 Å²	41.1	31%	0.31	25%	0.251	S	S	.	.			trans	66.4	71.9	171.2	-156.7	33.8	0	0	0	116.9	K88 H179 G201	K88-D199 IonicContact NZ-OD1 3.88Å; K88-D199 PolarHBondContact NZ-OD1 3.26Å; H179-D199 PolarHBondContact NE2-O 3.08Å; D199-G201 PolarHBondContact O-N 3.49Å
200	F	89.8	Confident	88	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-79.8	13.9	177.7	-70.5	-100.2	0	0	0	113.9	E106 I109 M110 L113 I118 H179 I197 F202 S203	E106-F200 HydrophobicContact CG-CB 4.21Å; I109-F200 HydrophobicContact CG2-CB 4.22Å; I109-F200 HydrophobicContact CG2-CD1 3.77Å; I109-F200 HydrophobicContact CG2-CG 4.21Å; M110-F200 HydrophobicContact CG-CB 4.47Å; L113-F200 HydrophobicContact CD1-CD1 3.74Å; L113-F200 HydrophobicContact CD1-CE1 3.28Å; L113-F200 HydrophobicContact CD1-CE2 4.31Å; L113-F200 HydrophobicContact CD1-CG 4.42Å; L113-F200 HydrophobicContact CD1-CZ 3.63Å; I118-F200 HydrophobicContact CD1-CZ 4.34Å; I118-F200 HydrophobicContact CG2-CE2 3.7Å; I118-F200 HydrophobicContact CG2-CZ 3.72Å; H179-F200 AromaticContact CD2-CD1 3.82Å; H179-F200 AromaticContact CD2-CE1 3.7Å; I197-F200 HydrophobicContact CG2-CE2 4.49Å; I197-F200 HydrophobicContact CG2-CZ 4.33Å; F200-F202 PolarHBondContact O-N 3.48Å; F200-F202 VanDerWaalsContact O-N 3.16Å; F200-S203 VanDerWaalsContact CA-OG 3.29Å; F200-S203 WeakPolarHBondContact CA-OG 3.21Å; F200-S203 WeakPolarHBondContact CB-OG 3.33Å; F200-S203 VanDerWaalsContact CD1-OG 3.3Å; F200-S203 WeakPolarHBondContact CD1-OG 3.24Å; F200-S203 WeakPolarHBondContact O-CB 3.45Å; F200-S203 PolarHBondContact O-N 2.95Å; F200-S203 PolarHBondContact O-OG 3.01Å
201	G	81.7	Confident	87.7	Confident	17 Å²	17	47.8 Å²	47.8	18%	0.175	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21.5	-176.2	0	0	0	0	0	115.4	E106 D199	E106-G201 VanDerWaalsContact OE2-CA 3.31Å; E106-G201 WeakPolarHBondContact OE2-CA 3.41Å; D199-G201 PolarHBondContact O-N 3.49Å
202	F	80.6	Confident	87.6	Confident	80 Å²	80	46.3 Å²	46.3	35%	0.351	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-98.2	-7.3	171.5	-68.4	-71	0	0	0	113.9	H179 R180 D181 F200 C216	H179-F202 CarbonylContact O-C 3.34Å; R180-F202 PolarHBondContact NE-O 3.07Å; R180-F202 PolarHBondContact NH2-O 3.28Å; D181-F202 HydrophobicContact CB-CB 4Å; D181-F202 HydrophobicContact CB-CD2 3.66Å; D181-F202 HydrophobicContact CB-CG 4.14Å; F200-F202 PolarHBondContact O-N 3.48Å; F200-F202 VanDerWaalsContact O-N 3.16Å; F202-C216 HydrophobicContact CD1-CB 3.85Å; F202-C216 HydrophobicContact CE1-CB 4.4Å
203	S	85.8	Confident	87.4	Confident	1 Å²	1	46 Å²	46	1%	0.007	27%	0.271	C	S	.	.			trans	-66.4	155.7	-175.6	-53.5	0	0	0	0	112.1	R105 V178 H179 F200	R105-S203 PolarHBondContact NE-O 3.45Å; R105-S203 PolarHBondContact NH2-O 2.82Å; V178-S203 CarbonylContact O-C 3.5Å; V178-S203 WeakPolarHBondContact O-CA 3.47Å; V178-S203 VanDerWaalsContact O-CB 3.23Å; V178-S203 WeakPolarHBondContact O-CB 3.37Å; H179-S203 WeakPolarHBondContact CA-OG 3.22Å; H179-S203 WeakPolarHBondContact O-CA 3.46Å; H179-S203 PolarHBondContact O-N 2.91Å; H179-S203 PolarHBondContact O-OG 3.4Å; F200-S203 VanDerWaalsContact CA-OG 3.29Å; F200-S203 WeakPolarHBondContact CA-OG 3.21Å; F200-S203 WeakPolarHBondContact CB-OG 3.33Å; F200-S203 VanDerWaalsContact CD1-OG 3.3Å; F200-S203 WeakPolarHBondContact CD1-OG 3.24Å; F200-S203 WeakPolarHBondContact O-CB 3.45Å; F200-S203 PolarHBondContact O-N 2.95Å; F200-S203 PolarHBondContact O-OG 3.01Å
204	N	86.9	Confident	87.1	Confident	29 Å²	29	47 Å²	47	16%	0.155	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162.1	177.4	-160.9	21.6	0	0	0	110.5	R105 V178 L212	R105-N204 WeakPolarHBondContact CD-OD1 3.33Å; R105-N204 PolarHBondContact NE-OD1 3.48Å; R105-N204 VanDerWaalsContact NE-OD1 3.13Å; R105-N204 PolarHBondContact NH1-OD1 2.86Å; V178-N204 WeakPolarHBondContact CG2-O 3.29Å; V178-N204 PolarHBondContact N-O 2.87Å; V178-N204 PolarHBondContact O-N 3.38Å; N204-L212 WeakPolarHBondContact ND2-CD2 3.47Å
205	E	87.2	Confident	86.6	Confident	60 Å²	60	49.3 Å²	49.3	28%	0.28	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	149.1	167.3	-69.2	160.2	-129.2	0	0	109.8	R108 R176 I177	R108-E205 IonicContact CZ-OE1 3.17Å; R108-E205 IonicContact CZ-OE2 3.38Å; R108-E205 IonicContact NE-OE1 2.91Å; R108-E205 PolarHBondContact NE-OE1 3.17Å; R108-E205 IonicContact NE-OE2 3.15Å; R108-E205 VanDerWaalsContact NH2-CD 3.25Å; R108-E205 IonicContact NH2-OE1 2.75Å; R108-E205 PolarHBondContact NH2-OE1 2.98Å; R108-E205 VanDerWaalsContact NH2-OE1 3.11Å; R108-E205 IonicContact NH2-OE2 2.8Å; R108-E205 PolarHBondContact NH2-OE2 2.89Å; R176-E205 CarbonylContact O-C 3.57Å; R176-E205 WeakPolarHBondContact O-CA 3.45Å; I177-E205 HydrophobicContact CG1-CG 4.28Å
206	F	86.8	Confident	85.8	Confident	20 Å²	20	50 Å²	50	9%	0.088	29%	0.292	C	S	.	.			trans	-124.8	138.6	174.7	72.5	-86.6	0	0	0	111.1	H173 R176 V178 D233 P235	H173-F206 WeakPolarHBondContact O-CZ 3.43Å; R176-F206 VanDerWaalsContact CA-CE1 3.41Å; R176-F206 HydrophobicContact CB-CD1 4.47Å; R176-F206 HydrophobicContact CB-CE1 4.34Å; R176-F206 WeakPolarHBondContact O-CD1 3.44Å; R176-F206 PolarHBondContact O-N 2.81Å; V178-F206 HydrophobicContact CB-CD1 4.45Å; V178-F206 HydrophobicContact CG1-CD1 3.51Å; V178-F206 HydrophobicContact CG1-CE1 3.77Å; V178-F206 HydrophobicContact CG1-CG 4.37Å; V178-F206 HydrophobicContact CG2-CD1 4.37Å; F206-D233 WeakPolarHBondContact CB-O 3.43Å; F206-P235 HydrophobicContact CD1-CG 4.23Å; F206-P235 HydrophobicContact CD2-CG 4.21Å; F206-P235 HydrophobicContact CE1-CG 3.65Å; F206-P235 HydrophobicContact CE2-CG 3.66Å; F206-P235 HydrophobicContact CG-CG 4.48Å; F206-P235 HydrophobicContact CZ-CG 3.35Å
207	T	83.4	Confident	85.1	Confident	100 Å²	100	50.1 Å²	50.1	61%	0.613	30%	0.297	S	S	*	.			trans	-113.6	131.8	176.9	-52.8	0	0	0	0	108.3	G209 S210	T207-G209 PolarHBondContact O-N 3.12Å; T207-S210 PolarHBondContact O-N 2.9Å
208	V	81.3	Confident	84.5	Confident	115 Å²	115	51.3 Å²	51.3	70%	0.697	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.1	177	-178.2	0	0	0	0	109.3
209	G	78.4	Confident	84.3	Confident	76 Å²	76	52.8 Å²	52.8	78%	0.784	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-13	-175.3	0	0	0	0	0	115.3	T207	T207-G209 PolarHBondContact O-N 3.12Å
210	S	83.5	Confident	84.4	Confident	70 Å²	70	51.5 Å²	51.5	49%	0.49	31%	0.309	S	S	.	.			trans	-104.3	132.8	170.9	-171.5	0	0	0	0	110.5	T207	T207-S210 PolarHBondContact O-N 2.9Å
211	K	85.2	Confident	84.7	Confident	96 Å²	96	52 Å²	52	42%	0.417	31%	0.31	S	S	.	.			trans	-107.9	140.1	-178.2	-64.6	-172	176.2	-65.2	0	112.4	K231 Y232 D233	K211-K231 HydrophobicContact CB-CB 3.75Å; K211-K231 HydrophobicContact CB-CD 4.49Å; K211-K231 HydrophobicContact CD-CB 3.93Å; K211-K231 HydrophobicContact CG-CB 4.5Å; K211-Y232 CarbonylContact C-O 3.53Å; K211-Y232 WeakPolarHBondContact CA-O 3.46Å; K211-Y232 WeakPolarHBondContact CB-O 3.49Å; K211-D233 WeakPolarHBondContact CG-OD1 3.36Å; K211-D233 IonicContact NZ-OD1 3.84Å; K211-D233 PolarHBondContact NZ-OD1 2.93Å; K211-D233 IonicContact NZ-OD2 2.65Å; K211-D233 PolarHBondContact NZ-OD2 2.85Å
212	L	85.3	Confident	85.3	Confident	21 Å²	21	51.3 Å²	51.3	11%	0.11	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-79.6	146.4	170	-57.4	178.2	0	0	0	110.2	V178 N204 K231 Y232	V178-L212 HydrophobicContact CG2-CD1 3.88Å; N204-L212 WeakPolarHBondContact ND2-CD2 3.47Å; L212-K231 CarbonylContact O-C 3.57Å; L212-K231 WeakPolarHBondContact O-CA 3.49Å; L212-Y232 HydrophobicContact CB-CD1 4.33Å; L212-Y232 HydrophobicContact CB-CD2 4.04Å; L212-Y232 HydrophobicContact CB-CE1 3.92Å; L212-Y232 HydrophobicContact CB-CE2 3.61Å; L212-Y232 HydrophobicContact CB-CG 4.37Å; L212-Y232 HydrophobicContact CD1-CD2 4.4Å; L212-Y232 HydrophobicContact CD1-CE2 3.73Å; L212-Y232 HydrophobicContact CG-CE2 4.28Å; L212-Y232 PolarHBondContact N-O 2.85Å; L212-Y232 VanDerWaalsContact O-CD1 3.28Å; L212-Y232 WeakPolarHBondContact O-CD1 3.36Å; L212-Y232 PolarHBondContact O-N 3.33Å
213	D	85.2	Confident	86	Confident	99 Å²	99	47.5 Å²	47.5	53%	0.529	29%	0.287	S	S	.	.			trans	-123.9	-15.3	-179.3	56.1	12.3	0	0	0	113.7	F215 K231	D213-F215 PolarHBondContact O-N 3.33Å; D213-K231 HydrophobicContact CB-CD 4.32Å; D213-K231 HydrophobicContact CB-CG 4.08Å
214	T	81.7	Confident	86.5	Confident	57 Å²	57	47.6 Å²	47.6	35%	0.35	29%	0.287	S	S	.	.			trans	-72.9	117.7	-172.3	-45.3	0	0	0	0	111.2	C216 Y232	T214-C216 HydrophobicContact CG2-CB 4.39Å; T214-C216 PolarHBondContact O-N 3Å; T214-Y232 PolarHBondContact O-OH 3.11Å
215	F	84.1	Confident	86.9	Confident	97 Å²	97	46.5 Å²	46.5	43%	0.425	28%	0.281	S	S	.	.			trans	-67.5	117.1	162	-168.8	-76.2	0	0	0	108.8	D213 A222 L226 F227	D213-F215 PolarHBondContact O-N 3.33Å; F215-A222 HydrophobicContact CZ-CB 4.39Å; F215-L226 HydrophobicContact CD2-CB 3.65Å; F215-L226 VanDerWaalsContact CD2-O 3.31Å; F215-L226 WeakPolarHBondContact CD2-O 3.47Å; F215-L226 HydrophobicContact CE2-CB 3.64Å; F215-F227 HydrophobicContact CE2-CD1 4.41Å; F215-F227 HydrophobicContact CE2-CG 4.48Å; F215-F227 HydrophobicContact CZ-CE1 4.45Å
216	C	80.6	Confident	87.2	Confident	15 Å²	15	44.3 Å²	44.3	10%	0.101	27%	0.271	C	S	.	.			trans	-152.4	168.9	176.2	55.8	0	0	0	0	109.9	F202 T214	F202-C216 HydrophobicContact CD1-CB 3.85Å; F202-C216 HydrophobicContact CE1-CB 4.4Å; T214-C216 HydrophobicContact CG2-CB 4.39Å; T214-C216 PolarHBondContact O-N 3Å
217	G	82	Confident	87.4	Confident	18 Å²	18	44 Å²	44	19%	0.186	27%	0.27	C	S	.	.	S	Bend	trans	86.6	175.5	-173.4	0	0	0	0	0	114	R180 D181	R180-G217 WeakPolarHBondContact O-CA 3.22Å; D181-G217 WeakPolarHBondContact OD1-CA 3.17Å
218	S	86	Confident	87.8	Confident	28 Å²	28	43.6 Å²	43.6	20%	0.196	26%	0.261	C	S	.	.			trans	-84.4	122	-168.8	-56.2	0	0	0	0	111.5	D181 K183 P220 Y221 A222	D181-S218 WeakPolarHBondContact OD1-CB 3.37Å; D181-S218 PolarHBondContact OD1-N 2.69Å; D181-S218 PolarHBondContact OD1-OG 2.84Å; K183-S218 WeakPolarHBondContact CD-OG 3.46Å; K183-S218 PolarHBondContact NZ-OG 3.34Å; S218-P220 VanDerWaalsContact C-CD 3.43Å; S218-P220 VanDerWaalsContact O-N 3.11Å; S218-Y221 PolarHBondContact O-N 3.31Å; S218-A222 PolarHBondContact O-N 3.36Å
219	P	88.6	Confident	88.1	Confident	47 Å²	47	41.4 Å²	41.4	31%	0.305	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-52.1	-36.5	-167.4	-29.7	34.7	0	0	0	117.9	Y221 A222 F227 L261 L264	P219-Y221 PolarHBondContact O-N 2.98Å; P219-A222 PolarHBondContact O-N 3.03Å; P219-F227 HydrophobicContact CB-CZ 4.21Å; P219-F227 WeakPolarHBondContact O-CZ 3.36Å; P219-L261 HydrophobicContact CB-CD1 3.78Å; P219-L261 HydrophobicContact CG-CD1 4.13Å; P219-L264 HydrophobicContact CB-CD2 3.84Å
220	P	89.3	Confident	88.7	Confident	32 Å²	32	43.3 Å²	43.3	21%	0.208	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-65.9	-21.7	178.5	-23.1	35.2	0	0	0	114.7	S218 L254 L264	S218-P220 VanDerWaalsContact C-CD 3.43Å; S218-P220 VanDerWaalsContact O-N 3.11Å; P220-L254 HydrophobicContact CB-CD1 3.92Å; P220-L254 HydrophobicContact CB-CD2 4.25Å; P220-L254 HydrophobicContact CG-CD1 4.46Å; P220-L264 HydrophobicContact CG-CD2 4.22Å
221	Y	95	Very high	89	Confident	13 Å²	13	46.3 Å²	46.3	5%	0.051	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-99.2	-11.6	178.4	-56.9	-93.2	0	0	0	112.3	L182 K183 A184 E185 S218 P219 W240 S241 V244 I245 L254	L182-Y221 WeakPolarHBondContact O-CB 3.3Å; K183-Y221 HydrophobicContact CB-CD1 4.18Å; K183-Y221 HydrophobicContact CB-CD2 3.6Å; K183-Y221 HydrophobicContact CB-CE1 4.05Å; K183-Y221 HydrophobicContact CB-CE2 3.43Å; K183-Y221 VanDerWaalsContact CB-CE2 3.43Å; K183-Y221 HydrophobicContact CB-CG 3.97Å; A184-Y221 WeakPolarHBondContact CB-OH 3.46Å; A184-Y221 PolarHBondContact N-OH 2.72Å; A184-Y221 VanDerWaalsContact N-OH 3.16Å; E185-Y221 PolarHBondContact OE2-OH 2.89Å; S218-Y221 PolarHBondContact O-N 3.31Å; P219-Y221 PolarHBondContact O-N 2.98Å; Y221-W240 VanDerWaalsContact O-CD1 3.29Å; Y221-S241 PolarHBondContact O-OG 3.36Å; Y221-V244 HydrophobicContact CD1-CB 3.97Å; Y221-V244 HydrophobicContact CD1-CG1 3.42Å; Y221-V244 VanDerWaalsContact CD1-CG1 3.42Å; Y221-V244 HydrophobicContact CE1-CG1 3.83Å; Y221-V244 HydrophobicContact CG-CG1 4.12Å; Y221-I245 HydrophobicContact CD1-CG1 4.18Å; Y221-I245 HydrophobicContact CE1-CG1 4.04Å; Y221-L254 HydrophobicContact CE1-CD2 4.36Å
222	A	94.2	Very high	89.1	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	23%	0.233	C	C	.	.			trans	-68.4	138.5	-174.5	0	0	0	0	0	113	F215 S218 P219 L226 F227 W240	F215-A222 HydrophobicContact CZ-CB 4.39Å; S218-A222 PolarHBondContact O-N 3.36Å; P219-A222 PolarHBondContact O-N 3.03Å; A222-L226 HydrophobicContact CB-CD1 4.04Å; A222-F227 HydrophobicContact CB-CD2 4.44Å; A222-F227 HydrophobicContact CB-CE2 3.77Å; A222-F227 HydrophobicContact CB-CZ 4.32Å; A222-W240 PolarHBondContact O-NE1 2.87Å; A222-W240 VanDerWaalsContact O-NE1 3.16Å
223	A	96.1	Very high	89.1	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.			trans	-70.4	150.5	179.2	0	0	0	0	0	112.7	E225 L226 V237 W240	A223-E225 VanDerWaalsContact C-N 3.26Å; A223-E225 VanDerWaalsContact CB-CD 3.44Å; A223-E225 HydrophobicContact CB-CG 4.1Å; A223-E225 WeakPolarHBondContact CB-OE1 3.35Å; A223-E225 PolarHBondContact O-N 3.11Å; A223-L226 HydrophobicContact CB-CD1 4.5Å; A223-L226 WeakPolarHBondContact O-CB 3.45Å; A223-L226 PolarHBondContact O-N 3.16Å; A223-V237 HydrophobicContact CB-CB 3.98Å; A223-V237 HydrophobicContact CB-CG1 3.97Å; A223-W240 VanDerWaalsContact CA-CD1 3.47Å; A223-W240 HydrophobicContact CB-CB 3.87Å; A223-W240 HydrophobicContact CB-CD2 4.43Å; A223-W240 HydrophobicContact CB-CG 3.81Å
224	P	96.4	Very high	89.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.013	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31	-174.5	23.4	-33.9	0	0	0	113.6	L226 F227 Q228 W240 V268 L269 L293	P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.35Å; P224-F227 PolarHBondContact O-N 3.23Å; P224-Q228 WeakPolarHBondContact O-CG 3.33Å; P224-Q228 PolarHBondContact O-N 3.41Å; P224-W240 HydrophobicContact CG-CE3 4.24Å; P224-W240 HydrophobicContact CG-CH2 4.06Å; P224-W240 HydrophobicContact CG-CZ2 4.44Å; P224-W240 HydrophobicContact CG-CZ3 3.95Å; P224-V268 HydrophobicContact CB-CG1 4.1Å; P224-L269 HydrophobicContact CB-CD2 3.82Å; P224-L269 WeakPolarHBondContact O-CD2 3.16Å; P224-L293 HydrophobicContact CB-CD2 4.06Å; P224-L293 HydrophobicContact CG-CD2 3.88Å
225	E	95.1	Very high	89.9	Confident	6 Å²	6	38 Å²	38	3%	0.028	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.2	173.8	53.3	-91.5	-147.3	0	0	113.3	A223 Q228 G229 K230 V237 R298	A223-E225 VanDerWaalsContact C-N 3.26Å; A223-E225 VanDerWaalsContact CB-CD 3.44Å; A223-E225 HydrophobicContact CB-CG 4.1Å; A223-E225 WeakPolarHBondContact CB-OE1 3.35Å; A223-E225 PolarHBondContact O-N 3.11Å; E225-Q228 WeakPolarHBondContact O-CB 3.48Å; E225-Q228 PolarHBondContact O-N 3.34Å; E225-Q228 VanDerWaalsContact O-N 3.15Å; E225-G229 PolarHBondContact O-N 2.93Å; E225-K230 HydrophobicContact CB-CB 4.34Å; E225-K230 PolarHBondContact O-N 2.95Å; E225-K230 VanDerWaalsContact O-N 3.08Å; E225-V237 HydrophobicContact CG-CG1 4.17Å; E225-R298 IonicContact OE1-CZ 3.19Å; E225-R298 IonicContact OE1-NH1 3.68Å; E225-R298 PolarHBondContact OE1-NH1 2.81Å; E225-R298 IonicContact OE1-NH2 3.65Å; E225-R298 PolarHBondContact OE1-NH2 3.02Å; E225-R298 IonicContact OE2-CZ 3.39Å; E225-R298 IonicContact OE2-NH1 2.67Å; E225-R298 IonicContact OE2-NH2 3.13Å; E225-R298 PolarHBondContact OE2-NH2 3.06Å
226	L	93.4	Very high	90.5	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.073	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-66.3	-46.4	175.5	-59.5	176.1	0	0	0	110.1	F215 A222 A223 P224 Q228 G229 Y232 V237	F215-L226 HydrophobicContact CD2-CB 3.65Å; F215-L226 VanDerWaalsContact CD2-O 3.31Å; F215-L226 WeakPolarHBondContact CD2-O 3.47Å; F215-L226 HydrophobicContact CE2-CB 3.64Å; A222-L226 HydrophobicContact CB-CD1 4.04Å; A223-L226 HydrophobicContact CB-CD1 4.5Å; A223-L226 WeakPolarHBondContact O-CB 3.45Å; A223-L226 PolarHBondContact O-N 3.16Å; P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.35Å; L226-Q228 PolarHBondContact O-N 3.24Å; L226-Q228 VanDerWaalsContact O-N 3.08Å; L226-G229 PolarHBondContact O-N 3.41Å; L226-Y232 HydrophobicContact CD2-CD1 3.64Å; L226-Y232 HydrophobicContact CD2-CE1 3.34Å; L226-Y232 HydrophobicContact CD2-CE2 4.45Å; L226-Y232 HydrophobicContact CD2-CG 4.33Å; L226-V237 HydrophobicContact CD2-CG1 4.45Å; L226-V237 HydrophobicContact CG-CG1 4.42Å
227	F	90.5	Very high	91.2	Very high	14 Å²	14	34 Å²	34	6%	0.061	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-64.1	-10.8	173.8	-73.3	-78.4	0	0	0	114.3	F215 P219 A222 P224 L261 R265 V268 L269	F215-F227 HydrophobicContact CE2-CD1 4.41Å; F215-F227 HydrophobicContact CE2-CG 4.48Å; F215-F227 HydrophobicContact CZ-CE1 4.45Å; P219-F227 HydrophobicContact CB-CZ 4.21Å; P219-F227 WeakPolarHBondContact O-CZ 3.36Å; A222-F227 HydrophobicContact CB-CD2 4.44Å; A222-F227 HydrophobicContact CB-CE2 3.77Å; A222-F227 HydrophobicContact CB-CZ 4.32Å; P224-F227 PolarHBondContact O-N 3.23Å; F227-L261 HydrophobicContact CE1-CD1 3.93Å; F227-R265 HydrophobicContact CB-CG 4.11Å; F227-R265 HydrophobicContact CD1-CB 3.77Å; F227-R265 HydrophobicContact CD1-CG 3.74Å; F227-R265 HydrophobicContact CE1-CB 4Å; F227-R265 HydrophobicContact CE1-CG 4.47Å; F227-R265 HydrophobicContact CG-CB 4.49Å; F227-R265 HydrophobicContact CG-CG 4.17Å; F227-R265 VanDerWaalsContact O-CZ 3.25Å; F227-R265 PolarHBondContact O-NE 2.83Å; F227-R265 VanDerWaalsContact O-NE 3.16Å; F227-R265 PolarHBondContact O-NH2 2.87Å; F227-V268 HydrophobicContact CD2-CB 4.3Å; F227-V268 HydrophobicContact CD2-CG1 3.71Å; F227-V268 HydrophobicContact CE2-CB 4.16Å; F227-V268 HydrophobicContact CE2-CG1 3.82Å; F227-V268 HydrophobicContact CE2-CG2 4.1Å; F227-L269 HydrophobicContact CB-CD2 4.07Å; F227-L269 HydrophobicContact CB-CG 4.43Å
228	Q	91.1	Very high	91.9	Very high	92 Å²	92	33.2 Å²	33.2	43%	0.43	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-98.3	-5.4	173.1	-67.7	174.4	-4.9	0	0	112.8	P224 E225 L226 K230 L269	P224-Q228 WeakPolarHBondContact O-CG 3.33Å; P224-Q228 PolarHBondContact O-N 3.41Å; E225-Q228 WeakPolarHBondContact O-CB 3.48Å; E225-Q228 PolarHBondContact O-N 3.34Å; E225-Q228 VanDerWaalsContact O-N 3.15Å; L226-Q228 PolarHBondContact O-N 3.24Å; L226-Q228 VanDerWaalsContact O-N 3.08Å; Q228-K230 HydrophobicContact CB-CD 4.13Å; Q228-K230 HydrophobicContact CB-CG 3.96Å; Q228-K230 PolarHBondContact O-N 3.44Å; Q228-L269 HydrophobicContact CG-CD2 3.8Å
229	G	88.9	Confident	92.5	Very high	68 Å²	68	32.1 Å²	32.1	70%	0.701	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	23	-173.9	0	0	0	0	0	113.3	E225 L226	E225-G229 PolarHBondContact O-N 2.93Å; L226-G229 PolarHBondContact O-N 3.41Å
230	K	89.9	Confident	93	Very high	116 Å²	116	29.9 Å²	29.9	50%	0.504	16%	0.162	S	C	.	.			trans	-80.9	141.7	-179.5	-73.9	178.8	177.7	168.2	0	110.4	E225 Q228	E225-K230 HydrophobicContact CB-CB 4.34Å; E225-K230 PolarHBondContact O-N 2.95Å; E225-K230 VanDerWaalsContact O-N 3.08Å; Q228-K230 HydrophobicContact CB-CD 4.13Å; Q228-K230 HydrophobicContact CB-CG 3.96Å; Q228-K230 PolarHBondContact O-N 3.44Å
231	K	89.6	Confident	93.4	Very high	133 Å²	133	28.6 Å²	28.6	58%	0.578	15%	0.154	S	C	*	.			trans	-67.9	137.7	168.7	-57	-161.9	176.4	-164.9	0	110.2	K211 L212 D213	K211-K231 HydrophobicContact CB-CB 3.75Å; K211-K231 HydrophobicContact CB-CD 4.49Å; K211-K231 HydrophobicContact CD-CB 3.93Å; K211-K231 HydrophobicContact CG-CB 4.5Å; L212-K231 CarbonylContact O-C 3.57Å; L212-K231 WeakPolarHBondContact O-CA 3.49Å; D213-K231 HydrophobicContact CB-CD 4.32Å; D213-K231 HydrophobicContact CB-CG 4.08Å
232	Y	88.6	Confident	93.6	Very high	4 Å²	4	28 Å²	28	2%	0.016	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-129.5	154.5	-171.2	59.8	-83.2	0	0	0	110.6	R180 K211 L212 T214 L226 E236 V237	R180-Y232 WeakPolarHBondContact CD-OH 3.38Å; R180-Y232 PolarHBondContact NH1-OH 3.25Å; K211-Y232 CarbonylContact C-O 3.53Å; K211-Y232 WeakPolarHBondContact CA-O 3.46Å; K211-Y232 WeakPolarHBondContact CB-O 3.49Å; L212-Y232 HydrophobicContact CB-CD1 4.33Å; L212-Y232 HydrophobicContact CB-CD2 4.04Å; L212-Y232 HydrophobicContact CB-CE1 3.92Å; L212-Y232 HydrophobicContact CB-CE2 3.61Å; L212-Y232 HydrophobicContact CB-CG 4.37Å; L212-Y232 HydrophobicContact CD1-CD2 4.4Å; L212-Y232 HydrophobicContact CD1-CE2 3.73Å; L212-Y232 HydrophobicContact CG-CE2 4.28Å; L212-Y232 PolarHBondContact N-O 2.85Å; L212-Y232 VanDerWaalsContact O-CD1 3.28Å; L212-Y232 WeakPolarHBondContact O-CD1 3.36Å; L212-Y232 PolarHBondContact O-N 3.33Å; T214-Y232 PolarHBondContact O-OH 3.11Å; L226-Y232 HydrophobicContact CD2-CD1 3.64Å; L226-Y232 HydrophobicContact CD2-CE1 3.34Å; L226-Y232 HydrophobicContact CD2-CE2 4.45Å; L226-Y232 HydrophobicContact CD2-CG 4.33Å; Y232-E236 WeakPolarHBondContact CB-OE1 3.44Å; Y232-V237 HydrophobicContact CD2-CG1 3.7Å; Y232-V237 HydrophobicContact CD2-CG2 4.29Å; Y232-V237 HydrophobicContact CE2-CG1 4.22Å; Y232-V237 HydrophobicContact CE2-CG2 4.11Å; Y232-V237 HydrophobicContact CG-CG1 4.09Å
233	D	85.7	Confident	93.8	Very high	65 Å²	65	27.8 Å²	27.8	35%	0.348	15%	0.15	S	C	.	.			trans	-80.8	-31.5	-178	-64.8	-57.2	0	0	0	111.5	F206 K211 E236	F206-D233 WeakPolarHBondContact CB-O 3.43Å; K211-D233 WeakPolarHBondContact CG-OD1 3.36Å; K211-D233 IonicContact NZ-OD1 3.84Å; K211-D233 PolarHBondContact NZ-OD1 2.93Å; K211-D233 IonicContact NZ-OD2 2.65Å; K211-D233 PolarHBondContact NZ-OD2 2.85Å; D233-E236 PolarHBondContact N-OE1 3.39Å
234	G	88.1	Confident	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	131.1	-69.3	169.4	0	0	0	0	0	113.4	V178 E236 V237	V178-G234 VanDerWaalsContact CG1-C 3.46Å; G234-E236 PolarHBondContact N-OE1 2.92Å; G234-E236 PolarHBondContact N-OE2 3.19Å; G234-E236 PolarHBondContact O-N 2.89Å; G234-E236 VanDerWaalsContact O-N 3.07Å; G234-V237 WeakPolarHBondContact O-CG2 3.41Å; G234-V237 PolarHBondContact O-N 3.13Å
235	P	95.1	Very high	93.9	Very high	29 Å²	29	27.9 Å²	27.9	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-50.5	-37.3	-172.6	-32.7	39.4	0	0	0	114.7	H173 V178 F206 V237 D238 V239	H173-P235 PolarHBondContact CE1-O 2.79Å; H173-P235 VanDerWaalsContact CE1-O 3.28Å; V178-P235 HydrophobicContact CG1-CG 4Å; F206-P235 HydrophobicContact CD1-CG 4.23Å; F206-P235 HydrophobicContact CD2-CG 4.21Å; F206-P235 HydrophobicContact CE1-CG 3.65Å; F206-P235 HydrophobicContact CE2-CG 3.66Å; F206-P235 HydrophobicContact CG-CG 4.48Å; F206-P235 HydrophobicContact CZ-CG 3.35Å; P235-V237 VanDerWaalsContact C-N 3.3Å; P235-V237 PolarHBondContact O-N 2.96Å; P235-D238 PolarHBondContact O-N 3.37Å; P235-V239 WeakPolarHBondContact O-CG2 3.43Å; P235-V239 PolarHBondContact O-N 3.39Å
236	E	95.5	Very high	94	Very high	27 Å²	27	27.6 Å²	27.6	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-32	-178.5	69.3	-84.8	-159.6	0	0	113.6	Y232 D233 G234 V239 W240 P295 R298	Y232-E236 WeakPolarHBondContact CB-OE1 3.44Å; D233-E236 PolarHBondContact N-OE1 3.39Å; G234-E236 PolarHBondContact N-OE1 2.92Å; G234-E236 PolarHBondContact N-OE2 3.19Å; G234-E236 PolarHBondContact O-N 2.89Å; G234-E236 VanDerWaalsContact O-N 3.07Å; E236-V239 WeakPolarHBondContact O-CB 3.36Å; E236-V239 PolarHBondContact O-N 3.42Å; E236-W240 PolarHBondContact O-N 2.93Å; E236-W240 VanDerWaalsContact O-N 3.09Å; E236-P295 HydrophobicContact CB-CB 4.19Å; E236-P295 HydrophobicContact CG-CB 3.69Å; E236-R298 VanDerWaalsContact C-NH1 3.3Å; E236-R298 WeakPolarHBondContact O-CD 3.33Å; E236-R298 PolarHBondContact O-NH1 3.39Å
237	V	96.2	Very high	94.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-74.3	-30.9	-178.7	-51.5	0	0	0	0	111.5	R180 A223 E225 L226 Y232 G234 P235 S241	R180-V237 HydrophobicContact CG-CG2 4.31Å; A223-V237 HydrophobicContact CB-CB 3.98Å; A223-V237 HydrophobicContact CB-CG1 3.97Å; E225-V237 HydrophobicContact CG-CG1 4.17Å; L226-V237 HydrophobicContact CD2-CG1 4.45Å; L226-V237 HydrophobicContact CG-CG1 4.42Å; Y232-V237 HydrophobicContact CD2-CG1 3.7Å; Y232-V237 HydrophobicContact CD2-CG2 4.29Å; Y232-V237 HydrophobicContact CE2-CG1 4.22Å; Y232-V237 HydrophobicContact CE2-CG2 4.11Å; Y232-V237 HydrophobicContact CG-CG1 4.09Å; G234-V237 WeakPolarHBondContact O-CG2 3.41Å; G234-V237 PolarHBondContact O-N 3.13Å; P235-V237 VanDerWaalsContact C-N 3.3Å; P235-V237 PolarHBondContact O-N 2.96Å; V237-S241 PolarHBondContact O-N 3.04Å; V237-S241 VanDerWaalsContact O-N 3.12Å; V237-S241 PolarHBondContact O-OG 2.97Å
238	D	97.3	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-40.3	169.7	-70.5	-23.3	0	0	0	110.6	V169 H173 V178 H179 R180 L182 P235 W240 S241 L242	V169-D238 HydrophobicContact CG1-CB 4.08Å; H173-D238 IonicContact CD2-OD2 2.72Å; H173-D238 IonicContact CE1-OD2 2.69Å; H173-D238 IonicContact NE2-OD2 3.84Å; H173-D238 PolarHBondContact NE2-OD2 3.38Å; V178-D238 WeakPolarHBondContact CA-OD2 3.18Å; H179-D238 PolarHBondContact N-OD1 2.89Å; H179-D238 PolarHBondContact N-OD2 3.29Å; R180-D238 PolarHBondContact N-OD1 3.18Å; L182-D238 HydrophobicContact CD1-CB 3.74Å; P235-D238 PolarHBondContact O-N 3.37Å; D238-W240 VanDerWaalsContact C-N 3.34Å; D238-W240 PolarHBondContact O-N 2.83Å; D238-S241 WeakPolarHBondContact O-CB 3.45Å; D238-S241 PolarHBondContact O-N 2.84Å; D238-S241 VanDerWaalsContact O-N 3.14Å; D238-L242 VanDerWaalsContact O-CG 3.3Å; D238-L242 WeakPolarHBondContact O-CG 3.36Å; D238-L242 PolarHBondContact O-N 3.18Å
239	V	98.4	Very high	94.5	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-42.1	176.3	180	0	0	0	0	111.9	P235 E236 L242 G243 L290 R298 G299 L301	P235-V239 WeakPolarHBondContact O-CG2 3.43Å; P235-V239 PolarHBondContact O-N 3.39Å; E236-V239 WeakPolarHBondContact O-CB 3.36Å; E236-V239 PolarHBondContact O-N 3.42Å; V239-L242 PolarHBondContact O-N 2.83Å; V239-G243 PolarHBondContact O-N 3.19Å; V239-G243 VanDerWaalsContact O-N 3.12Å; V239-L290 HydrophobicContact CG1-CD2 3.53Å; V239-R298 HydrophobicContact CB-CG 4.35Å; V239-R298 HydrophobicContact CG1-CG 3.78Å; V239-G299 WeakPolarHBondContact CG1-O 3.41Å; V239-L301 HydrophobicContact CG2-CD2 3.84Å; V239-L301 HydrophobicContact CG2-CG 3.95Å
240	W	98.4	Very high	94.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-47.1	173.5	175.7	-83.5	0	0	0	111.4	Y221 A222 A223 P224 E236 D238 L242 G243 V244 F256 V268 L291 L293	Y221-W240 VanDerWaalsContact O-CD1 3.29Å; A222-W240 PolarHBondContact O-NE1 2.87Å; A222-W240 VanDerWaalsContact O-NE1 3.16Å; A223-W240 VanDerWaalsContact CA-CD1 3.47Å; A223-W240 HydrophobicContact CB-CB 3.87Å; A223-W240 HydrophobicContact CB-CD2 4.43Å; A223-W240 HydrophobicContact CB-CG 3.81Å; P224-W240 HydrophobicContact CG-CE3 4.24Å; P224-W240 HydrophobicContact CG-CH2 4.06Å; P224-W240 HydrophobicContact CG-CZ2 4.44Å; P224-W240 HydrophobicContact CG-CZ3 3.95Å; E236-W240 PolarHBondContact O-N 2.93Å; E236-W240 VanDerWaalsContact O-N 3.09Å; D238-W240 VanDerWaalsContact C-N 3.34Å; D238-W240 PolarHBondContact O-N 2.83Å; W240-L242 PolarHBondContact O-N 2.93Å; W240-G243 WeakPolarHBondContact O-CA 3.18Å; W240-G243 PolarHBondContact O-N 2.81Å; W240-V244 PolarHBondContact O-N 3.13Å; W240-V244 VanDerWaalsContact O-N 3.07Å; W240-F256 AromaticContact CH2-CE2 3.94Å; W240-F256 HydrophobicContact CH2-CE2 3.94Å; W240-F256 HydrophobicContact CH2-CZ 4.03Å; W240-F256 HydrophobicContact CZ2-CD2 4.08Å; W240-F256 AromaticContact CZ2-CE2 3.37Å; W240-F256 HydrophobicContact CZ2-CE2 3.37Å; W240-F256 AromaticContact CZ2-CZ 3.94Å; W240-F256 HydrophobicContact CZ2-CZ 3.94Å; W240-V268 HydrophobicContact CZ2-CG1 4.01Å; W240-L291 HydrophobicContact CD2-CD2 3.96Å; W240-L291 HydrophobicContact CE3-CD2 4.15Å; W240-L291 HydrophobicContact CG-CD2 4.41Å; W240-L291 HydrophobicContact CZ2-CD2 4.34Å; W240-L291 VanDerWaalsContact CZ3-C 3.49Å; W240-L291 HydrophobicContact CZ3-CB 4.29Å; W240-L291 HydrophobicContact CZ3-CD2 4.43Å; W240-L293 HydrophobicContact CH2-CD2 4.04Å; W240-L293 HydrophobicContact CZ3-CD2 4.26Å
241	S	97.9	Very high	95	Very high	6 Å²	6	14.7 Å²	14.7	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-37.9	178.3	-53.5	0	0	0	0	111.7	Y221 V237 D238 V244 I245	Y221-S241 PolarHBondContact O-OG 3.36Å; V237-S241 PolarHBondContact O-N 3.04Å; V237-S241 VanDerWaalsContact O-N 3.12Å; V237-S241 PolarHBondContact O-OG 2.97Å; D238-S241 WeakPolarHBondContact O-CB 3.45Å; D238-S241 PolarHBondContact O-N 2.84Å; D238-S241 VanDerWaalsContact O-N 3.14Å; S241-V244 WeakPolarHBondContact O-CB 3.34Å; S241-V244 PolarHBondContact O-N 2.82Å; S241-I245 WeakPolarHBondContact O-CG1 3.43Å; S241-I245 PolarHBondContact O-N 3.43Å
242	L	98.4	Very high	94.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.6	-35.1	173.5	-71	171.4	0	0	0	113.1	F162 I165 V169 L182 D238 V239 W240 I245 L246 L301	F162-L242 HydrophobicContact CE2-CB 4.14Å; F162-L242 HydrophobicContact CE2-CD2 4.15Å; F162-L242 WeakPolarHBondContact CE2-O 3.48Å; F162-L242 HydrophobicContact CZ-CB 4.04Å; F162-L242 WeakPolarHBondContact CZ-O 3.5Å; I165-L242 HydrophobicContact CG2-CD2 3.28Å; V169-L242 HydrophobicContact CB-CD1 4.17Å; V169-L242 HydrophobicContact CG1-CD1 4.07Å; V169-L242 HydrophobicContact CG2-CD1 4.36Å; V169-L242 HydrophobicContact CG2-CD2 4.33Å; L182-L242 HydrophobicContact CD1-CD2 4.2Å; L182-L242 HydrophobicContact CD1-CG 4.1Å; D238-L242 VanDerWaalsContact O-CG 3.3Å; D238-L242 WeakPolarHBondContact O-CG 3.36Å; D238-L242 PolarHBondContact O-N 3.18Å; V239-L242 PolarHBondContact O-N 2.83Å; W240-L242 PolarHBondContact O-N 2.93Å; L242-I245 HydrophobicContact CD2-CD1 4.29Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-L246 WeakPolarHBondContact O-CB 3.45Å; L242-L246 PolarHBondContact O-N 2.9Å; L242-L301 HydrophobicContact CD1-CD1 4.11Å; L242-L301 HydrophobicContact CD1-CD2 3.74Å
243	G	98.4	Very high	94.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-41.6	169.6	0	0	0	0	0	112.8	V239 W240 Y247 L287	V239-G243 PolarHBondContact O-N 3.19Å; V239-G243 VanDerWaalsContact O-N 3.12Å; W240-G243 WeakPolarHBondContact O-CA 3.18Å; W240-G243 PolarHBondContact O-N 2.81Å; G243-Y247 WeakPolarHBondContact O-CB 3.33Å; G243-Y247 PolarHBondContact O-N 3.44Å; G243-Y247 VanDerWaalsContact O-N 3.08Å; G243-L287 WeakPolarHBondContact O-CD2 3.5Å
244	V	97.7	Very high	95.1	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-43.9	174.9	177.4	0	0	0	0	111	Y221 W240 S241 T248 L254 P255 L291	Y221-V244 HydrophobicContact CD1-CB 3.97Å; Y221-V244 HydrophobicContact CD1-CG1 3.42Å; Y221-V244 VanDerWaalsContact CD1-CG1 3.42Å; Y221-V244 HydrophobicContact CE1-CG1 3.83Å; Y221-V244 HydrophobicContact CG-CG1 4.12Å; W240-V244 PolarHBondContact O-N 3.13Å; W240-V244 VanDerWaalsContact O-N 3.07Å; S241-V244 WeakPolarHBondContact O-CB 3.34Å; S241-V244 PolarHBondContact O-N 2.82Å; V244-T248 WeakPolarHBondContact O-CB 3.3Å; V244-T248 PolarHBondContact O-N 3.43Å; V244-T248 PolarHBondContact O-OG1 2.76Å; V244-L254 HydrophobicContact CG1-CD2 3.95Å; V244-P255 HydrophobicContact CB-CG 4.27Å; V244-P255 HydrophobicContact CG1-CG 4.02Å; V244-P255 HydrophobicContact CG2-CG 4.07Å; V244-L291 HydrophobicContact CG2-CD2 4Å
245	I	96.7	Very high	95.4	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-53.4	175.6	-71.7	159.1	0	0	0	110.8	I165 L182 L187 Y221 S241 L242 Y247 T248 L249	I165-I245 HydrophobicContact CD1-CG2 4.21Å; L182-I245 HydrophobicContact CB-CD1 4.02Å; L187-I245 HydrophobicContact CD1-CD1 4.15Å; L187-I245 HydrophobicContact CD1-CG1 4.42Å; L187-I245 HydrophobicContact CD1-CG2 3.75Å; Y221-I245 HydrophobicContact CD1-CG1 4.18Å; Y221-I245 HydrophobicContact CE1-CG1 4.04Å; S241-I245 WeakPolarHBondContact O-CG1 3.43Å; S241-I245 PolarHBondContact O-N 3.43Å; L242-I245 HydrophobicContact CD2-CD1 4.29Å; L242-I245 PolarHBondContact O-N 2.92Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.89Å; I245-T248 WeakPolarHBondContact O-CA 3.46Å; I245-T248 WeakPolarHBondContact O-CB 3.03Å; I245-T248 PolarHBondContact O-N 2.95Å; I245-L249 HydrophobicContact CG2-CD1 4.16Å; I245-L249 HydrophobicContact CG2-CG 4.37Å; I245-L249 WeakPolarHBondContact O-CG 3.31Å; I245-L249 PolarHBondContact O-N 2.98Å
246	L	98.1	Very high	95.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-54.4	-50.8	-179.8	174.6	60.1	0	0	0	111.5	F162 L242 T248 L249 V250 L286 L287 L290 W309	F162-L246 HydrophobicContact CD1-CD1 4.07Å; F162-L246 HydrophobicContact CD1-CD2 4.39Å; F162-L246 HydrophobicContact CD2-CB 4.18Å; F162-L246 HydrophobicContact CD2-CD1 4.45Å; F162-L246 HydrophobicContact CE1-CB 4.2Å; F162-L246 HydrophobicContact CE1-CD1 4.4Å; F162-L246 HydrophobicContact CE1-CD2 3.97Å; F162-L246 HydrophobicContact CE1-CG 4.42Å; F162-L246 HydrophobicContact CE2-CB 3.76Å; F162-L246 HydrophobicContact CG-CD1 4.12Å; F162-L246 HydrophobicContact CZ-CB 3.78Å; F162-L246 HydrophobicContact CZ-CD2 4.29Å; F162-L246 HydrophobicContact CZ-CG 4.48Å; L242-L246 WeakPolarHBondContact O-CB 3.45Å; L242-L246 PolarHBondContact O-N 2.9Å; L246-T248 PolarHBondContact O-N 2.67Å; L246-L249 PolarHBondContact O-N 3.37Å; L246-V250 HydrophobicContact CD1-CG1 4.16Å; L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 2.85Å; L246-V250 VanDerWaalsContact O-N 3.15Å; L246-L286 HydrophobicContact CD2-CD2 3.55Å; L246-L286 HydrophobicContact CD2-CG 3.75Å; L246-L287 HydrophobicContact CB-CD2 4.23Å; L246-L287 HydrophobicContact CD2-CD2 3.94Å; L246-L287 HydrophobicContact CD2-CG 4.17Å; L246-L287 HydrophobicContact CG-CD2 4.1Å; L246-L290 HydrophobicContact CD2-CD1 3.97Å; L246-W309 HydrophobicContact CD1-CH2 3.49Å; L246-W309 VanDerWaalsContact CD1-CH2 3.49Å; L246-W309 HydrophobicContact CD1-CZ2 4.18Å; L246-W309 HydrophobicContact CD1-CZ3 3.77Å
247	Y	97.3	Very high	94.9	Very high	10 Å²	10	12.3 Å²	12.3	4%	0.039	8%	0.075	C	C	.	.	H	α-helix	trans	-56.5	-42.2	177.3	-178.2	-83.6	0	0	0	111.5	G243 I245 V250 S251 S253 P255 Y273 R274 M279 L287	G243-Y247 WeakPolarHBondContact O-CB 3.33Å; G243-Y247 PolarHBondContact O-N 3.44Å; G243-Y247 VanDerWaalsContact O-N 3.08Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.89Å; Y247-V250 PolarHBondContact O-N 2.88Å; Y247-S251 WeakPolarHBondContact CD1-OG 3.45Å; Y247-S251 WeakPolarHBondContact CE1-OG 3.49Å; Y247-S251 VanDerWaalsContact O-CB 3.26Å; Y247-S251 WeakPolarHBondContact O-CB 3.31Å; Y247-S251 PolarHBondContact O-N 3.27Å; Y247-S251 PolarHBondContact O-OG 2.89Å; Y247-S253 WeakPolarHBondContact CD1-O 3.18Å; Y247-S253 VanDerWaalsContact CE1-O 3.24Å; Y247-S253 WeakPolarHBondContact CE1-O 3.49Å; Y247-P255 HydrophobicContact CD1-CB 3.57Å; Y247-P255 HydrophobicContact CD1-CG 3.97Å; Y247-P255 HydrophobicContact CD2-CB 4.14Å; Y247-P255 VanDerWaalsContact CE1-CA 3.43Å; Y247-P255 HydrophobicContact CE1-CB 3.84Å; Y247-P255 HydrophobicContact CE2-CB 4.38Å; Y247-P255 HydrophobicContact CG-CB 3.74Å; Y247-P255 HydrophobicContact CG-CG 4.18Å; Y247-Y273 HydrophobicContact CD2-CD2 4.03Å; Y247-Y273 AromaticContact CE2-CD2 3.87Å; Y247-Y273 HydrophobicContact CE2-CD2 3.87Å; Y247-R274 VanDerWaalsContact CE2-O 3.27Å; Y247-R274 WeakPolarHBondContact CE2-O 3.29Å; Y247-R274 PolarHBondContact OH-O 3.28Å; Y247-M279 HydrophobicContact CD2-CE 4.07Å; Y247-M279 HydrophobicContact CE2-CE 4.18Å; Y247-L287 HydrophobicContact CD2-CD1 3.98Å
248	T	93.8	Very high	94.1	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-38.4	179.7	-55.3	0	0	0	0	112.1	L147 V244 I245 L246 G252 S253	L147-T248 HydrophobicContact CD1-CG2 3.98Å; V244-T248 WeakPolarHBondContact O-CB 3.3Å; V244-T248 PolarHBondContact O-N 3.43Å; V244-T248 PolarHBondContact O-OG1 2.76Å; I245-T248 WeakPolarHBondContact O-CA 3.46Å; I245-T248 WeakPolarHBondContact O-CB 3.03Å; I245-T248 PolarHBondContact O-N 2.95Å; L246-T248 PolarHBondContact O-N 2.67Å; T248-G252 WeakPolarHBondContact O-CA 3.14Å; T248-G252 PolarHBondContact O-N 3.12Å; T248-S253 WeakPolarHBondContact CA-O 3.22Å
249	L	94.6	Very high	93.1	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-48.7	175.7	-62.9	173.9	0	0	0	111.9	V143 L147 M153 A158 I165 I245 L246	V143-L249 HydrophobicContact CG1-CD2 3.42Å; V143-L249 VanDerWaalsContact CG1-CD2 3.42Å; L147-L249 HydrophobicContact CD1-CD2 4.32Å; M153-L249 HydrophobicContact CE-CD2 4.16Å; M153-L249 PolarHBondContact N-O 2.96Å; M153-L249 HydrophobicContact SD-CB 4.36Å; M153-L249 HydrophobicContact SD-CD2 3.89Å; A158-L249 HydrophobicContact CB-CB 4.17Å; I165-L249 HydrophobicContact CD1-CD1 4.5Å; I245-L249 HydrophobicContact CG2-CD1 4.16Å; I245-L249 HydrophobicContact CG2-CG 4.37Å; I245-L249 WeakPolarHBondContact O-CG 3.31Å; I245-L249 PolarHBondContact O-N 2.98Å; L246-L249 PolarHBondContact O-N 3.37Å
250	V	96.1	Very high	92.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-85.6	-22.4	-171.5	-56.8	0	0	0	0	114.5	R152 E155 A158 L246 Y247 M279 W309	R152-V250 WeakPolarHBondContact CB-O 3.38Å; R152-V250 WeakPolarHBondContact CD-O 3.4Å; E155-V250 HydrophobicContact CG-CG1 4.19Å; A158-V250 HydrophobicContact CB-CG1 3.65Å; L246-V250 HydrophobicContact CD1-CG1 4.16Å; L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 2.85Å; L246-V250 VanDerWaalsContact O-N 3.15Å; Y247-V250 PolarHBondContact O-N 2.88Å; V250-M279 HydrophobicContact CG2-CE 3.6Å; V250-W309 HydrophobicContact CG1-CZ2 4.36Å
251	S	92.6	Very high	91.3	Very high	13 Å²	13	30.7 Å²	30.7	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-102.9	-24.5	176.9	74.6	0	0	0	0	113.9	R152 Y247 S253 Y278	R152-S251 VanDerWaalsContact CB-C 3.5Å; Y247-S251 WeakPolarHBondContact CD1-OG 3.45Å; Y247-S251 WeakPolarHBondContact CE1-OG 3.49Å; Y247-S251 VanDerWaalsContact O-CB 3.26Å; Y247-S251 WeakPolarHBondContact O-CB 3.31Å; Y247-S251 PolarHBondContact O-N 3.27Å; Y247-S251 PolarHBondContact O-OG 2.89Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact OG-N 3.17Å; S251-S253 PolarHBondContact OG-O 2.73Å; S251-S253 PolarHBondContact OG-OG 2.85Å; S251-Y278 PolarHBondContact O-OH 2.87Å
252	G	88.5	Confident	90.8	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	20%	0.199	C	C	.	.	S	Bend	trans	78	8.4	-173.1	0	0	0	0	0	114.5	T248 K764	T248-G252 WeakPolarHBondContact O-CA 3.14Å; T248-G252 PolarHBondContact O-N 3.12Å; G252-K764 PolarHBondContact O-NZ 3.4Å
253	S	87.4	Confident	90.4	Very high	59 Å²	59	39.8 Å²	39.8	41%	0.413	21%	0.211	S	C	.	.	S	Bend	trans	-141.4	161.8	178.5	66.9	0	0	0	0	111.8	Y247 T248 S251	Y247-S253 WeakPolarHBondContact CD1-O 3.18Å; Y247-S253 VanDerWaalsContact CE1-O 3.24Å; Y247-S253 WeakPolarHBondContact CE1-O 3.49Å; T248-S253 WeakPolarHBondContact CA-O 3.22Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact OG-N 3.17Å; S251-S253 PolarHBondContact OG-O 2.73Å; S251-S253 PolarHBondContact OG-OG 2.85Å
254	L	90.3	Very high	89.9	Confident	36 Å²	36	40.3 Å²	40.3	19%	0.188	21%	0.213	C	C	.	.			trans	-68.7	148.6	173.7	-69.2	163.9	0	0	0	111.6	P220 Y221 V244 D257	P220-L254 HydrophobicContact CB-CD1 3.92Å; P220-L254 HydrophobicContact CB-CD2 4.25Å; P220-L254 HydrophobicContact CG-CD1 4.46Å; Y221-L254 HydrophobicContact CE1-CD2 4.36Å; V244-L254 HydrophobicContact CG1-CD2 3.95Å; L254-D257 HydrophobicContact CB-CB 4.48Å
255	P	94.1	Very high	89.6	Confident	15 Å²	15	46.1 Å²	46.1	10%	0.097	24%	0.235	C	C	.	.	S	Bend	trans	-75.4	-29.5	174.4	28.3	-30.7	0	0	0	112.5	V244 Y247 Y273 L291	V244-P255 HydrophobicContact CB-CG 4.27Å; V244-P255 HydrophobicContact CG1-CG 4.02Å; V244-P255 HydrophobicContact CG2-CG 4.07Å; Y247-P255 HydrophobicContact CD1-CB 3.57Å; Y247-P255 HydrophobicContact CD1-CG 3.97Å; Y247-P255 HydrophobicContact CD2-CB 4.14Å; Y247-P255 VanDerWaalsContact CE1-CA 3.43Å; Y247-P255 HydrophobicContact CE1-CB 3.84Å; Y247-P255 HydrophobicContact CE2-CB 4.38Å; Y247-P255 HydrophobicContact CG-CB 3.74Å; Y247-P255 HydrophobicContact CG-CG 4.18Å; P255-Y273 HydrophobicContact CB-CG 4.37Å; P255-L291 HydrophobicContact CB-CD1 4.49Å
256	F	93.9	Very high	89.5	Confident	3 Å²	3	51 Å²	51	1%	0.013	26%	0.258	C	S	.	.	S	Bend	trans	-131.1	126.1	176.7	-41.8	-68.8	0	0	0	107.8	W240 L264 V268 Y273 L291	W240-F256 AromaticContact CH2-CE2 3.94Å; W240-F256 HydrophobicContact CH2-CE2 3.94Å; W240-F256 HydrophobicContact CH2-CZ 4.03Å; W240-F256 HydrophobicContact CZ2-CD2 4.08Å; W240-F256 AromaticContact CZ2-CE2 3.37Å; W240-F256 HydrophobicContact CZ2-CE2 3.37Å; W240-F256 AromaticContact CZ2-CZ 3.94Å; W240-F256 HydrophobicContact CZ2-CZ 3.94Å; F256-L264 HydrophobicContact CB-CD1 4.15Å; F256-V268 HydrophobicContact CB-CG2 3.74Å; F256-V268 HydrophobicContact CD2-CG2 4.11Å; F256-V268 HydrophobicContact CG-CG2 3.99Å; F256-Y273 HydrophobicContact CE1-CD1 4.15Å; F256-Y273 AromaticContact CZ-CD1 3.92Å; F256-Y273 HydrophobicContact CZ-CD1 3.92Å; F256-L291 HydrophobicContact CE2-CD1 4.44Å; F256-L291 HydrophobicContact CE2-CD2 4.3Å; F256-L291 HydrophobicContact CZ-CD1 4.46Å
257	D	86.1	Confident	89.4	Confident	86 Å²	86	54.7 Å²	54.7	46%	0.46	27%	0.272	S	S	.	.			trans	-147.4	162.1	179.6	-171.2	16.2	0	0	0	108.4	L254 R267	L254-D257 HydrophobicContact CB-CB 4.48Å; D257-R267 WeakPolarHBondContact O-CD 3.41Å; D257-R267 PolarHBondContact O-NH1 3.39Å
258	G	79.4	Confident	89.3	Confident	20 Å²	20	54.2 Å²	54.2	21%	0.206	27%	0.27	C	S	.	.			trans	-171.5	153.3	176.2	0	0	0	0	0	114.1	N260 E263 R267	G258-N260 PolarHBondContact O-N 3.16Å; G258-N260 VanDerWaalsContact O-N 3.08Å; G258-E263 WeakPolarHBondContact CA-OE2 3.37Å; G258-R267 VanDerWaalsContact CA-NH1 3.35Å
259	Q	77.2	Confident	89.4	Confident	184 Å²	184	56.6 Å²	56.6	86%	0.86	28%	0.282	S	S	*	.	S	Bend	trans	-63.7	-17.1	-177.6	-63.7	-176	-10.4	0	0	113	E263	Q259-E263 PolarHBondContact N-OE2 3.28Å
260	N	79.3	Confident	89.6	Confident	86 Å²	86	63.2 Å²	63.2	46%	0.46	31%	0.307	S	S	.	.	S	Bend	trans	-154.9	166.1	175.9	59	70.8	0	0	0	110.5	G258 K262 E263 L264	G258-N260 PolarHBondContact O-N 3.16Å; G258-N260 VanDerWaalsContact O-N 3.08Å; N260-K262 PolarHBondContact O-N 3.11Å; N260-K262 WeakPolarHBondContact OD1-CB 3.35Å; N260-K262 PolarHBondContact OD1-N 3.43Å; N260-K262 VanDerWaalsContact OD1-N 3.14Å; N260-E263 PolarHBondContact O-N 2.97Å; N260-E263 PolarHBondContact OD1-N 2.86Å; N260-L264 PolarHBondContact O-N 2.67Å
261	L	80	Confident	89.5	Confident	104 Å²	104	63.8 Å²	63.8	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-29	-176.6	-172.5	62.4	0	0	0	113.8	P219 F227 L264 R265	P219-L261 HydrophobicContact CB-CD1 3.78Å; P219-L261 HydrophobicContact CG-CD1 4.13Å; F227-L261 HydrophobicContact CE1-CD1 3.93Å; L261-L264 HydrophobicContact CD1-CD2 4.4Å; L261-R265 WeakPolarHBondContact O-CB 3.38Å; L261-R265 PolarHBondContact O-N 2.96Å
262	K	86.8	Confident	89.6	Confident	146 Å²	146	70.6 Å²	70.6	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-68.7	-48.9	176.9	177.8	-173	168.8	-173.1	0	110.5	N260 R265 E266	N260-K262 PolarHBondContact O-N 3.11Å; N260-K262 WeakPolarHBondContact OD1-CB 3.35Å; N260-K262 PolarHBondContact OD1-N 3.43Å; N260-K262 VanDerWaalsContact OD1-N 3.14Å; K262-R265 WeakPolarHBondContact O-CB 3.45Å; K262-R265 PolarHBondContact O-N 3.42Å; K262-E266 WeakPolarHBondContact CE-OE1 3.39Å; K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.18Å
263	E	89.6	Confident	90	Very high	51 Å²	51	72.2 Å²	72.2	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-41.3	179.1	-163.3	-167.7	-157.1	0	0	111.9	G258 Q259 N260 E266 R267	G258-E263 WeakPolarHBondContact CA-OE2 3.37Å; Q259-E263 PolarHBondContact N-OE2 3.28Å; N260-E263 PolarHBondContact O-N 2.97Å; N260-E263 PolarHBondContact OD1-N 2.86Å; E263-E266 PolarHBondContact O-N 2.98Å; E263-R267 VanDerWaalsContact CD-NH2 3.34Å; E263-R267 WeakPolarHBondContact O-CG 3.34Å; E263-R267 PolarHBondContact O-N 2.98Å; E263-R267 VanDerWaalsContact O-N 3.1Å; E263-R267 IonicContact OE1-CZ 3.12Å; E263-R267 IonicContact OE1-NH1 3.15Å; E263-R267 PolarHBondContact OE1-NH1 2.88Å; E263-R267 VanDerWaalsContact OE1-NH1 3.15Å; E263-R267 IonicContact OE1-NH2 3.33Å; E263-R267 PolarHBondContact OE1-NH2 3.45Å; E263-R267 IonicContact OE2-CZ 3.65Å; E263-R267 IonicContact OE2-NH1 2.88Å; E263-R267 PolarHBondContact OE2-NH1 3.47Å; E263-R267 IonicContact OE2-NH2 2.71Å
264	L	89.2	Confident	90.3	Very high	11 Å²	11	78.5 Å²	78.5	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-49.2	172.6	175	61.1	0	0	0	111.2	P219 P220 F256 N260 L261 E266 R267 V268	P219-L264 HydrophobicContact CB-CD2 3.84Å; P220-L264 HydrophobicContact CG-CD2 4.22Å; F256-L264 HydrophobicContact CB-CD1 4.15Å; N260-L264 PolarHBondContact O-N 2.67Å; L261-L264 HydrophobicContact CD1-CD2 4.4Å; L264-E266 PolarHBondContact O-N 3.4Å; L264-R267 PolarHBondContact O-N 2.98Å; L264-R267 VanDerWaalsContact O-N 3.17Å; L264-V268 HydrophobicContact CD1-CG2 4.02Å; L264-V268 HydrophobicContact CG-CG2 4.41Å; L264-V268 WeakPolarHBondContact O-CG2 3.34Å; L264-V268 PolarHBondContact O-N 3.35Å
265	R	91.4	Very high	90.5	Very high	121 Å²	121	79.7 Å²	79.7	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-56.2	-47.2	176.9	174.2	177.5	-172.1	-170.9	3.7	111.9	F227 L261 K262 R267 V268 L269	F227-R265 HydrophobicContact CB-CG 4.11Å; F227-R265 HydrophobicContact CD1-CB 3.77Å; F227-R265 HydrophobicContact CD1-CG 3.74Å; F227-R265 HydrophobicContact CE1-CB 4Å; F227-R265 HydrophobicContact CE1-CG 4.47Å; F227-R265 HydrophobicContact CG-CB 4.49Å; F227-R265 HydrophobicContact CG-CG 4.17Å; F227-R265 VanDerWaalsContact O-CZ 3.25Å; F227-R265 PolarHBondContact O-NE 2.83Å; F227-R265 VanDerWaalsContact O-NE 3.16Å; F227-R265 PolarHBondContact O-NH2 2.87Å; L261-R265 WeakPolarHBondContact O-CB 3.38Å; L261-R265 PolarHBondContact O-N 2.96Å; K262-R265 WeakPolarHBondContact O-CB 3.45Å; K262-R265 PolarHBondContact O-N 3.42Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.15Å; R265-V268 PolarHBondContact O-N 3.26Å; R265-L269 HydrophobicContact CG-CD1 3.78Å; R265-L269 HydrophobicContact CG-CG 4.22Å; R265-L269 WeakPolarHBondContact O-CB 3.47Å; R265-L269 VanDerWaalsContact O-CG 3.24Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.19Å
266	E	95.1	Very high	90.4	Very high	106 Å²	106	79.5 Å²	79.5	50%	0.495	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-38.9	178.6	-74	170.3	-168.5	0	0	111.9	K262 E263 L264 R270	K262-E266 WeakPolarHBondContact CE-OE1 3.39Å; K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.18Å; E263-E266 PolarHBondContact O-N 2.98Å; L264-E266 PolarHBondContact O-N 3.4Å; E266-R270 VanDerWaalsContact O-CB 3.27Å; E266-R270 WeakPolarHBondContact O-CB 3.25Å; E266-R270 PolarHBondContact O-N 2.9Å; E266-R270 VanDerWaalsContact O-N 3.14Å
267	R	94.2	Very high	90.5	Very high	78 Å²	78	88.8 Å²	88.8	29%	0.294	41%	0.405	S	S	.	.	H	α-helix	trans	-70.2	-44.4	176.4	-73.4	169.8	173.8	148.2	7.4	112.8	D257 G258 E263 L264 R265 R270 G271	D257-R267 WeakPolarHBondContact O-CD 3.41Å; D257-R267 PolarHBondContact O-NH1 3.39Å; G258-R267 VanDerWaalsContact CA-NH1 3.35Å; E263-R267 VanDerWaalsContact CD-NH2 3.34Å; E263-R267 WeakPolarHBondContact O-CG 3.34Å; E263-R267 PolarHBondContact O-N 2.98Å; E263-R267 VanDerWaalsContact O-N 3.1Å; E263-R267 IonicContact OE1-CZ 3.12Å; E263-R267 IonicContact OE1-NH1 3.15Å; E263-R267 PolarHBondContact OE1-NH1 2.88Å; E263-R267 VanDerWaalsContact OE1-NH1 3.15Å; E263-R267 IonicContact OE1-NH2 3.33Å; E263-R267 PolarHBondContact OE1-NH2 3.45Å; E263-R267 IonicContact OE2-CZ 3.65Å; E263-R267 IonicContact OE2-NH1 2.88Å; E263-R267 PolarHBondContact OE2-NH1 3.47Å; E263-R267 IonicContact OE2-NH2 2.71Å; L264-R267 PolarHBondContact O-N 2.98Å; L264-R267 VanDerWaalsContact O-N 3.17Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.15Å; R267-R270 PolarHBondContact O-N 3.43Å; R267-G271 PolarHBondContact O-N 3.47Å; R267-G271 VanDerWaalsContact O-N 3.13Å
268	V	96	Very high	90.8	Very high	0 Å²	0	88.3 Å²	88.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-49	176.2	169.2	0	0	0	0	110.9	P224 F227 W240 F256 L264 R265 R270 G271 L293	P224-V268 HydrophobicContact CB-CG1 4.1Å; F227-V268 HydrophobicContact CD2-CB 4.3Å; F227-V268 HydrophobicContact CD2-CG1 3.71Å; F227-V268 HydrophobicContact CE2-CB 4.16Å; F227-V268 HydrophobicContact CE2-CG1 3.82Å; F227-V268 HydrophobicContact CE2-CG2 4.1Å; W240-V268 HydrophobicContact CZ2-CG1 4.01Å; F256-V268 HydrophobicContact CB-CG2 3.74Å; F256-V268 HydrophobicContact CD2-CG2 4.11Å; F256-V268 HydrophobicContact CG-CG2 3.99Å; L264-V268 HydrophobicContact CD1-CG2 4.02Å; L264-V268 HydrophobicContact CG-CG2 4.41Å; L264-V268 WeakPolarHBondContact O-CG2 3.34Å; L264-V268 PolarHBondContact O-N 3.35Å; R265-V268 PolarHBondContact O-N 3.26Å; V268-R270 PolarHBondContact O-N 3.37Å; V268-G271 PolarHBondContact O-N 3.12Å; V268-L293 WeakPolarHBondContact O-CD2 3.42Å
269	L	96.8	Very high	91.7	Very high	54 Å²	54	88.2 Å²	88.2	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-65.4	-26.2	179.2	-67	-178.9	0	0	0	113.3	P224 F227 Q228 R265	P224-L269 HydrophobicContact CB-CD2 3.82Å; P224-L269 WeakPolarHBondContact O-CD2 3.16Å; F227-L269 HydrophobicContact CB-CD2 4.07Å; F227-L269 HydrophobicContact CB-CG 4.43Å; Q228-L269 HydrophobicContact CG-CD2 3.8Å; R265-L269 HydrophobicContact CG-CD1 3.78Å; R265-L269 HydrophobicContact CG-CG 4.22Å; R265-L269 WeakPolarHBondContact O-CB 3.47Å; R265-L269 VanDerWaalsContact O-CG 3.24Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.19Å
270	R	97.1	Very high	92.7	Very high	143 Å²	143	81.1 Å²	81.1	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-77.6	-23.3	173.1	-172	174.8	68.4	-166.3	2.3	113.1	E266 R267 V268 K272	E266-R270 VanDerWaalsContact O-CB 3.27Å; E266-R270 WeakPolarHBondContact O-CB 3.25Å; E266-R270 PolarHBondContact O-N 2.9Å; E266-R270 VanDerWaalsContact O-N 3.14Å; R267-R270 PolarHBondContact O-N 3.43Å; V268-R270 PolarHBondContact O-N 3.37Å; R270-K272 HydrophobicContact CG-CB 4.33Å; R270-K272 HydrophobicContact CG-CD 4.19Å; R270-K272 HydrophobicContact CG-CG 4.14Å; R270-K272 PolarHBondContact O-N 3.47Å; R270-K272 VanDerWaalsContact O-N 3.09Å
271	G	95.6	Very high	93.6	Very high	14 Å²	14	81.4 Å²	81.4	14%	0.144	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	12.9	175.8	0	0	0	0	0	116	R267 V268	R267-G271 PolarHBondContact O-N 3.47Å; R267-G271 VanDerWaalsContact O-N 3.13Å; V268-G271 PolarHBondContact O-N 3.12Å
272	K	94.4	Very high	94.5	Very high	155 Å²	155	79.4 Å²	79.4	67%	0.674	36%	0.357	S	S	*	.			trans	-98.9	115.4	-178.2	-70	-175.5	-179.1	-174.4	0	111.1	R270	R270-K272 HydrophobicContact CG-CB 4.33Å; R270-K272 HydrophobicContact CG-CD 4.19Å; R270-K272 HydrophobicContact CG-CG 4.14Å; R270-K272 PolarHBondContact O-N 3.47Å; R270-K272 VanDerWaalsContact O-N 3.09Å
273	Y	95.9	Very high	95.1	Very high	45 Å²	45	72.4 Å²	72.4	18%	0.176	33%	0.326	C	S	.	.			trans	-115.9	164.7	174	53.3	-84.4	0	0	0	110.6	Y247 P255 F256 I275 L287 L291	Y247-Y273 HydrophobicContact CD2-CD2 4.03Å; Y247-Y273 AromaticContact CE2-CD2 3.87Å; Y247-Y273 HydrophobicContact CE2-CD2 3.87Å; P255-Y273 HydrophobicContact CB-CG 4.37Å; F256-Y273 HydrophobicContact CE1-CD1 4.15Å; F256-Y273 AromaticContact CZ-CD1 3.92Å; F256-Y273 HydrophobicContact CZ-CD1 3.92Å; Y273-I275 HydrophobicContact CD2-CD1 3.82Å; Y273-I275 HydrophobicContact CE2-CD1 3.5Å; Y273-I275 VanDerWaalsContact CE2-CD1 3.5Å; Y273-L287 HydrophobicContact CE2-CB 4.22Å; Y273-L287 HydrophobicContact CE2-CD1 4.31Å; Y273-L287 WeakPolarHBondContact OH-CB 3.48Å; Y273-L291 HydrophobicContact CD1-CD1 3.91Å; Y273-L291 HydrophobicContact CE1-CB 3.87Å; Y273-L291 HydrophobicContact CE1-CD1 3.68Å; Y273-L291 HydrophobicContact CE1-CG 4.43Å; Y273-L291 HydrophobicContact CE2-CD1 4.42Å; Y273-L291 HydrophobicContact CG-CD1 4.4Å
274	R	93.4	Very high	95.5	Very high	191 Å²	191	72.3 Å²	72.3	72%	0.721	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-89.1	133.6	-178.6	177.4	179.6	179.3	175.1	1.2	110.1	Y247 P276	Y247-R274 VanDerWaalsContact CE2-O 3.27Å; Y247-R274 WeakPolarHBondContact CE2-O 3.29Å; Y247-R274 PolarHBondContact OH-O 3.28Å; R274-P276 WeakPolarHBondContact O-CD 3.27Å
275	I	95.6	Very high	95.9	Very high	60 Å²	60	74.9 Å²	74.9	31%	0.308	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-90.3	118.6	166.8	-52.2	-52.7	0	0	0	108.8	Y273 M279 E284	Y273-I275 HydrophobicContact CD2-CD1 3.82Å; Y273-I275 HydrophobicContact CE2-CD1 3.5Å; Y273-I275 VanDerWaalsContact CE2-CD1 3.5Å; I275-M279 HydrophobicContact CD1-SD 4.16Å; I275-M279 HydrophobicContact CG2-CB 4.3Å; I275-M279 HydrophobicContact CG2-SD 4Å; I275-E284 HydrophobicContact CD1-CG 3.79Å; I275-E284 HydrophobicContact CG1-CG 4.08Å; I275-E284 HydrophobicContact CG2-CG 4.5Å
276	P	92.3	Very high	96.3	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.071	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.1	146.9	172.4	-14.9	30.7	0	0	0	111.5	R274 Y278 M279	R274-P276 WeakPolarHBondContact O-CD 3.27Å; P276-Y278 HydrophobicContact CB-CD1 3.92Å; P276-Y278 HydrophobicContact CB-CD2 4Å; P276-Y278 HydrophobicContact CB-CE1 3.51Å; P276-Y278 HydrophobicContact CB-CE2 3.58Å; P276-Y278 HydrophobicContact CB-CG 4.16Å; P276-Y278 HydrophobicContact CG-CE1 4.41Å; P276-Y278 HydrophobicContact CG-CE2 3.92Å; P276-Y278 PolarHBondContact O-N 3.46Å; P276-M279 HydrophobicContact CG-CE 4.44Å; P276-M279 WeakPolarHBondContact O-CB 3.38Å; P276-M279 PolarHBondContact O-N 3.36Å
277	F	94.6	Very high	96.4	Very high	199 Å²	199	64 Å²	64	87%	0.873	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.6	-179.7	70.1	-94.8	0	0	0	115.1
278	Y	93.5	Very high	96.6	Very high	76 Å²	76	65.1 Å²	65.1	30%	0.298	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.7	-178.6	57.3	-111.2	0	0	0	113.7	R152 S251 P276	R152-Y278 VanDerWaalsContact CZ-CE2 3.48Å; R152-Y278 VanDerWaalsContact NH1-CD2 3.29Å; S251-Y278 PolarHBondContact O-OH 2.87Å; P276-Y278 HydrophobicContact CB-CD1 3.92Å; P276-Y278 HydrophobicContact CB-CD2 4Å; P276-Y278 HydrophobicContact CB-CE1 3.51Å; P276-Y278 HydrophobicContact CB-CE2 3.58Å; P276-Y278 HydrophobicContact CB-CG 4.16Å; P276-Y278 HydrophobicContact CG-CE1 4.41Å; P276-Y278 HydrophobicContact CG-CE2 3.92Å; P276-Y278 PolarHBondContact O-N 3.46Å
279	M	97.7	Very high	96.7	Very high	17 Å²	17	69.7 Å²	69.7	8%	0.084	32%	0.321	C	S	.	.	S	Bend	trans	-84.1	133	176.2	-179	180	-78.8	0	0	108.7	Y247 V250 I275 P276 C283 E284 L287	Y247-M279 HydrophobicContact CD2-CE 4.07Å; Y247-M279 HydrophobicContact CE2-CE 4.18Å; V250-M279 HydrophobicContact CG2-CE 3.6Å; I275-M279 HydrophobicContact CD1-SD 4.16Å; I275-M279 HydrophobicContact CG2-CB 4.3Å; I275-M279 HydrophobicContact CG2-SD 4Å; P276-M279 HydrophobicContact CG-CE 4.44Å; P276-M279 WeakPolarHBondContact O-CB 3.38Å; P276-M279 PolarHBondContact O-N 3.36Å; M279-C283 HydrophobicContact CG-CB 3.83Å; M279-E284 HydrophobicContact SD-CB 4.48Å; M279-L287 HydrophobicContact CE-CD1 3.73Å; M279-L287 HydrophobicContact SD-CD1 3.74Å
280	S	98.4	Very high	96.8	Very high	35 Å²	35	67.1 Å²	67.1	25%	0.245	31%	0.307	C	S	.	.			trans	-68.4	151.8	176.5	69.3	0	0	0	0	111.7	E155 D282 C283 E284	E155-S280 PolarHBondContact OE1-N 3Å; E155-S280 PolarHBondContact OE1-OG 3.42Å; E155-S280 WeakPolarHBondContact OE2-CB 3.45Å; E155-S280 PolarHBondContact OE2-OG 2.72Å; S280-D282 PolarHBondContact O-N 2.95Å; S280-C283 PolarHBondContact O-N 3.4Å; S280-C283 VanDerWaalsContact O-N 3.15Å; S280-C283 WeakPolarHBondContact OG-CB 3.38Å; S280-C283 PolarHBondContact OG-N 3.37Å; S280-E284 PolarHBondContact O-N 3.41Å
281	T	98.4	Very high	96.9	Very high	93 Å²	93	60.8 Å²	60.8	57%	0.571	28%	0.284	S	S	*	.	H	α-helix	trans	-58	-32.8	172.3	-51.3	0	0	0	0	111.4	E284 N285	T281-E284 PolarHBondContact O-N 3.37Å; T281-N285 VanDerWaalsContact O-CB 3.32Å; T281-N285 WeakPolarHBondContact O-CB 3.48Å; T281-N285 PolarHBondContact O-N 3.06Å; T281-N285 PolarHBondContact O-ND2 2.89Å; T281-N285 VanDerWaalsContact O-ND2 3.16Å
282	D	98.5	Very high	97	Very high	61 Å²	61	61.5 Å²	61.5	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-68.2	-42.5	176.4	-57.2	-47.3	0	0	0	112	S280 E284 N285 L286 H308 W309	S280-D282 PolarHBondContact O-N 2.95Å; D282-E284 VanDerWaalsContact C-N 3.34Å; D282-E284 PolarHBondContact O-N 3.26Å; D282-N285 PolarHBondContact O-N 3.21Å; D282-L286 PolarHBondContact O-N 2.87Å; D282-H308 IonicContact OD1-CD2 2.69Å; D282-H308 IonicContact OD2-CD2 2.65Å; D282-W309 HydrophobicContact CB-CB 4.01Å; D282-W309 HydrophobicContact CB-CG 4.37Å
283	C	98.6	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-40.3	174.3	-171.4	0	0	0	0	111.5	M279 S280 L286 L287 W309	M279-C283 HydrophobicContact CG-CB 3.83Å; S280-C283 PolarHBondContact O-N 3.4Å; S280-C283 VanDerWaalsContact O-N 3.15Å; S280-C283 WeakPolarHBondContact OG-CB 3.38Å; S280-C283 PolarHBondContact OG-N 3.37Å; C283-L286 PolarHBondContact O-N 3.06Å; C283-L287 VanDerWaalsContact O-CG 3.31Å; C283-L287 WeakPolarHBondContact O-CG 3.41Å; C283-L287 PolarHBondContact O-N 3.45Å; C283-W309 HydrophobicContact CB-CG 4.47Å
284	E	98.4	Very high	97.2	Very high	49 Å²	49	59 Å²	59	23%	0.229	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-43	173.4	-175.9	-171.9	158.2	0	0	111.4	I275 M279 S280 T281 D282 L286 L287 K288	I275-E284 HydrophobicContact CD1-CG 3.79Å; I275-E284 HydrophobicContact CG1-CG 4.08Å; I275-E284 HydrophobicContact CG2-CG 4.5Å; M279-E284 HydrophobicContact SD-CB 4.48Å; S280-E284 PolarHBondContact O-N 3.41Å; T281-E284 PolarHBondContact O-N 3.37Å; D282-E284 VanDerWaalsContact C-N 3.34Å; D282-E284 PolarHBondContact O-N 3.26Å; E284-L286 PolarHBondContact O-N 2.71Å; E284-L287 PolarHBondContact O-N 3.37Å; E284-K288 VanDerWaalsContact CD-NZ 3.33Å; E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CG 3.18Å; E284-K288 PolarHBondContact O-N 2.95Å; E284-K288 WeakPolarHBondContact OE1-CE 3.47Å; E284-K288 IonicContact OE1-NZ 2.68Å; E284-K288 PolarHBondContact OE1-NZ 3.29Å
285	N	98.5	Very high	97.3	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.342	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-37	178.8	-72.8	-22.9	0	0	0	112.5	T281 D282 K288 K289	T281-N285 VanDerWaalsContact O-CB 3.32Å; T281-N285 WeakPolarHBondContact O-CB 3.48Å; T281-N285 PolarHBondContact O-N 3.06Å; T281-N285 PolarHBondContact O-ND2 2.89Å; T281-N285 VanDerWaalsContact O-ND2 3.16Å; D282-N285 PolarHBondContact O-N 3.21Å; N285-K288 PolarHBondContact O-N 3.47Å; N285-K289 PolarHBondContact O-N 3.12Å
286	L	98.8	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-45.3	171.3	175.8	54.8	0	0	0	111.5	F162 L246 D282 C283 E284 K288 K289 L290 I304 D307 W309 M310	F162-L286 HydrophobicContact CE1-CD2 4.33Å; L246-L286 HydrophobicContact CD2-CD2 3.55Å; L246-L286 HydrophobicContact CD2-CG 3.75Å; D282-L286 PolarHBondContact O-N 2.87Å; C283-L286 PolarHBondContact O-N 3.06Å; E284-L286 PolarHBondContact O-N 2.71Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 2.98Å; L286-K289 WeakPolarHBondContact O-CB 3.17Å; L286-K289 PolarHBondContact O-N 3.11Å; L286-L290 HydrophobicContact CD1-CD1 4.08Å; L286-L290 HydrophobicContact CD1-CG 4.24Å; L286-L290 HydrophobicContact CG-CD1 4.1Å; L286-L290 PolarHBondContact O-N 2.74Å; L286-I304 HydrophobicContact CD1-CD1 3.83Å; L286-I304 HydrophobicContact CD1-CG2 3.92Å; L286-D307 HydrophobicContact CD1-CB 4.12Å; L286-W309 HydrophobicContact CB-CB 4.32Å; L286-W309 HydrophobicContact CD2-CB 4.14Å; L286-W309 HydrophobicContact CD2-CD2 3.97Å; L286-W309 HydrophobicContact CD2-CE3 3.36Å; L286-W309 HydrophobicContact CD2-CG 4.32Å; L286-W309 HydrophobicContact CD2-CZ3 4.06Å; L286-M310 HydrophobicContact CD2-CG 4.09Å; L286-M310 HydrophobicContact CD2-SD 3.89Å
287	L	98.7	Very high	97.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-34.8	175.7	-72.8	168	0	0	0	112.6	G243 L246 Y247 Y273 M279 C283 E284 K289 L290 L291	G243-L287 WeakPolarHBondContact O-CD2 3.5Å; L246-L287 HydrophobicContact CB-CD2 4.23Å; L246-L287 HydrophobicContact CD2-CD2 3.94Å; L246-L287 HydrophobicContact CD2-CG 4.17Å; L246-L287 HydrophobicContact CG-CD2 4.1Å; Y247-L287 HydrophobicContact CD2-CD1 3.98Å; Y273-L287 HydrophobicContact CE2-CB 4.22Å; Y273-L287 HydrophobicContact CE2-CD1 4.31Å; Y273-L287 WeakPolarHBondContact OH-CB 3.48Å; M279-L287 HydrophobicContact CE-CD1 3.73Å; M279-L287 HydrophobicContact SD-CD1 3.74Å; C283-L287 VanDerWaalsContact O-CG 3.31Å; C283-L287 WeakPolarHBondContact O-CG 3.41Å; C283-L287 PolarHBondContact O-N 3.45Å; E284-L287 PolarHBondContact O-N 3.37Å; L287-K289 PolarHBondContact O-N 3.38Å; L287-L290 PolarHBondContact O-N 3.16Å; L287-L291 HydrophobicContact CD2-CD1 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.47Å
288	K	98.2	Very high	97.6	Very high	101 Å²	101	53.7 Å²	53.7	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-19.5	172.4	-73.8	168.8	-174.8	156.8	0	114.2	E284 N285 L286 V292	E284-K288 VanDerWaalsContact CD-NZ 3.33Å; E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CG 3.18Å; E284-K288 PolarHBondContact O-N 2.95Å; E284-K288 WeakPolarHBondContact OE1-CE 3.47Å; E284-K288 IonicContact OE1-NZ 2.68Å; E284-K288 PolarHBondContact OE1-NZ 3.29Å; N285-K288 PolarHBondContact O-N 3.47Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 2.98Å; K288-V292 WeakPolarHBondContact O-CG2 3.42Å
289	K	98.5	Very high	97.7	Very high	95 Å²	95	50.6 Å²	50.6	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-89.2	-28.8	174.4	-63.8	171.9	-178.8	178.9	0	112.7	N285 L286 L287 G299 I304 D307	N285-K289 PolarHBondContact O-N 3.12Å; L286-K289 WeakPolarHBondContact O-CB 3.17Å; L286-K289 PolarHBondContact O-N 3.11Å; L287-K289 PolarHBondContact O-N 3.38Å; K289-G299 PolarHBondContact O-N 3.09Å; K289-G299 VanDerWaalsContact O-N 3.07Å; K289-I304 HydrophobicContact CB-CD1 3.66Å; K289-I304 HydrophobicContact CD-CD1 4.38Å; K289-D307 WeakPolarHBondContact CE-OD2 3.35Å; K289-D307 IonicContact NZ-OD2 3.21Å; K289-D307 PolarHBondContact NZ-OD2 3.43Å
290	L	98.6	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-88	-49.5	-178.8	-61.6	172.1	0	0	0	112.6	F162 V239 L246 L286 L287 V292 R298 I304	F162-L290 HydrophobicContact CE1-CD1 4.2Å; F162-L290 HydrophobicContact CZ-CD1 3.95Å; V239-L290 HydrophobicContact CG1-CD2 3.53Å; L246-L290 HydrophobicContact CD2-CD1 3.97Å; L286-L290 HydrophobicContact CD1-CD1 4.08Å; L286-L290 HydrophobicContact CD1-CG 4.24Å; L286-L290 HydrophobicContact CG-CD1 4.1Å; L286-L290 PolarHBondContact O-N 2.74Å; L287-L290 PolarHBondContact O-N 3.16Å; L290-V292 PolarHBondContact O-N 2.95Å; L290-V292 VanDerWaalsContact O-N 3.08Å; L290-R298 VanDerWaalsContact O-CD 3.23Å; L290-R298 WeakPolarHBondContact O-CD 3.35Å; L290-R298 VanDerWaalsContact O-CG 3.26Å; L290-R298 WeakPolarHBondContact O-CG 3.5Å; L290-I304 HydrophobicContact CD2-CD1 3.58Å; L290-I304 HydrophobicContact CD2-CG1 3.79Å; L290-I304 HydrophobicContact CD2-CG2 4.27Å; L290-I304 HydrophobicContact CG-CD1 4.09Å
291	L	98.5	Very high	97.6	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	-88.9	47.3	-174.8	-62.7	179.6	0	0	0	112.4	W240 V244 P255 F256 Y273 L287	W240-L291 HydrophobicContact CD2-CD2 3.96Å; W240-L291 HydrophobicContact CE3-CD2 4.15Å; W240-L291 HydrophobicContact CG-CD2 4.41Å; W240-L291 HydrophobicContact CZ2-CD2 4.34Å; W240-L291 VanDerWaalsContact CZ3-C 3.49Å; W240-L291 HydrophobicContact CZ3-CB 4.29Å; W240-L291 HydrophobicContact CZ3-CD2 4.43Å; V244-L291 HydrophobicContact CG2-CD2 4Å; P255-L291 HydrophobicContact CB-CD1 4.49Å; F256-L291 HydrophobicContact CE2-CD1 4.44Å; F256-L291 HydrophobicContact CE2-CD2 4.3Å; F256-L291 HydrophobicContact CZ-CD1 4.46Å; Y273-L291 HydrophobicContact CD1-CD1 3.91Å; Y273-L291 HydrophobicContact CE1-CB 3.87Å; Y273-L291 HydrophobicContact CE1-CD1 3.68Å; Y273-L291 HydrophobicContact CE1-CG 4.43Å; Y273-L291 HydrophobicContact CE2-CD1 4.42Å; Y273-L291 HydrophobicContact CG-CD1 4.4Å; L287-L291 HydrophobicContact CD2-CD1 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.47Å
292	V	98.3	Very high	97.5	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.182	27%	0.268	C	S	.	.			trans	-89	126	178	-174.3	0	0	0	0	110.4	K288 L290 N294 K297 R298	K288-V292 WeakPolarHBondContact O-CG2 3.42Å; L290-V292 PolarHBondContact O-N 2.95Å; L290-V292 VanDerWaalsContact O-N 3.08Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 WeakPolarHBondContact CG1-O 3.46Å; V292-N294 PolarHBondContact O-N 2.73Å; V292-K297 HydrophobicContact CG1-CB 3.83Å; V292-R298 HydrophobicContact CB-CB 4.18Å; V292-R298 HydrophobicContact CB-CG 4.23Å; V292-R298 PolarHBondContact O-NE 2.9Å; V292-R298 PolarHBondContact O-NH2 3.36Å
293	L	97.4	Very high	97.4	Very high	77 Å²	77	54.9 Å²	54.9	40%	0.403	28%	0.28	S	S	.	.	S	Bend	trans	-64.6	-33.1	-179.1	-72	178.6	0	0	0	114	P224 W240 V268 P295	P224-L293 HydrophobicContact CB-CD2 4.06Å; P224-L293 HydrophobicContact CG-CD2 3.88Å; W240-L293 HydrophobicContact CH2-CD2 4.04Å; W240-L293 HydrophobicContact CZ3-CD2 4.26Å; V268-L293 WeakPolarHBondContact O-CD2 3.42Å; L293-P295 WeakPolarHBondContact O-CD 3.4Å
294	N	96.5	Very high	97.4	Very high	71 Å²	71	55 Å²	55	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-89.3	114.7	174.1	-178.2	-23.8	0	0	0	108.9	V292 V296 K297 R298	V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 WeakPolarHBondContact CG1-O 3.46Å; V292-N294 PolarHBondContact O-N 2.73Å; N294-V296 VanDerWaalsContact C-N 3.27Å; N294-V296 PolarHBondContact O-N 3.44Å; N294-V296 PolarHBondContact OD1-N 2.81Å; N294-K297 HydrophobicContact CB-CB 4.27Å; N294-K297 HydrophobicContact CB-CD 4.4Å; N294-K297 HydrophobicContact CB-CG 4.26Å; N294-K297 PolarHBondContact O-N 2.85Å; N294-R298 PolarHBondContact O-N 2.65Å
295	P	96.1	Very high	97.4	Very high	39 Å²	39	52.7 Å²	52.7	25%	0.253	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-57.4	-36.8	-177.4	19.7	-31.4	0	0	0	113.6	E236 L293 K297 R298	E236-P295 HydrophobicContact CB-CB 4.19Å; E236-P295 HydrophobicContact CG-CB 3.69Å; L293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-K297 PolarHBondContact O-N 2.85Å; P295-R298 WeakPolarHBondContact O-CB 3.47Å; P295-R298 PolarHBondContact O-N 3.06Å; P295-R298 VanDerWaalsContact O-N 3.1Å
296	V	94.6	Very high	97.4	Very high	131 Å²	131	56.5 Å²	56.5	79%	0.794	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-68.7	-21.1	-179.4	-173.6	0	0	0	0	112.3	N294	N294-V296 VanDerWaalsContact C-N 3.27Å; N294-V296 PolarHBondContact O-N 3.44Å; N294-V296 PolarHBondContact OD1-N 2.81Å
297	K	96.8	Very high	97.3	Very high	160 Å²	160	57 Å²	57	70%	0.696	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-96.3	-0.6	176.3	-64.2	-170.7	176.7	-170.8	0	113.2	V292 N294 P295	V292-K297 HydrophobicContact CG1-CB 3.83Å; N294-K297 HydrophobicContact CB-CB 4.27Å; N294-K297 HydrophobicContact CB-CD 4.4Å; N294-K297 HydrophobicContact CB-CG 4.26Å; N294-K297 PolarHBondContact O-N 2.85Å; P295-K297 PolarHBondContact O-N 2.85Å
298	R	97.6	Very high	97.3	Very high	18 Å²	18	62.6 Å²	62.6	7%	0.068	31%	0.311	C	S	.	.	S	Bend	trans	-78.5	136.4	178.2	-156.6	176	-66.1	144.9	3.7	108.6	E225 E236 V239 L290 V292 N294 P295	E225-R298 IonicContact OE1-CZ 3.19Å; E225-R298 IonicContact OE1-NH1 3.68Å; E225-R298 PolarHBondContact OE1-NH1 2.81Å; E225-R298 IonicContact OE1-NH2 3.65Å; E225-R298 PolarHBondContact OE1-NH2 3.02Å; E225-R298 IonicContact OE2-CZ 3.39Å; E225-R298 IonicContact OE2-NH1 2.67Å; E225-R298 IonicContact OE2-NH2 3.13Å; E225-R298 PolarHBondContact OE2-NH2 3.06Å; E236-R298 VanDerWaalsContact C-NH1 3.3Å; E236-R298 WeakPolarHBondContact O-CD 3.33Å; E236-R298 PolarHBondContact O-NH1 3.39Å; V239-R298 HydrophobicContact CB-CG 4.35Å; V239-R298 HydrophobicContact CG1-CG 3.78Å; L290-R298 VanDerWaalsContact O-CD 3.23Å; L290-R298 WeakPolarHBondContact O-CD 3.35Å; L290-R298 VanDerWaalsContact O-CG 3.26Å; L290-R298 WeakPolarHBondContact O-CG 3.5Å; V292-R298 HydrophobicContact CB-CB 4.18Å; V292-R298 HydrophobicContact CB-CG 4.23Å; V292-R298 PolarHBondContact O-NE 2.9Å; V292-R298 PolarHBondContact O-NH2 3.36Å; N294-R298 PolarHBondContact O-N 2.65Å; P295-R298 WeakPolarHBondContact O-CB 3.47Å; P295-R298 PolarHBondContact O-N 3.06Å; P295-R298 VanDerWaalsContact O-N 3.1Å
299	G	95.3	Very high	97.3	Very high	11 Å²	11	57.8 Å²	57.8	11%	0.113	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-65.7	139.7	-176.4	0	0	0	0	0	112.1	V239 K289	V239-G299 WeakPolarHBondContact CG1-O 3.41Å; K289-G299 PolarHBondContact O-N 3.09Å; K289-G299 VanDerWaalsContact O-N 3.07Å
300	S	95.9	Very high	97.3	Very high	52 Å²	52	53.3 Å²	53.3	36%	0.364	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-69.7	154.7	171.8	75.5	0	0	0	0	110.5	E302 Q303 I304	S300-E302 PolarHBondContact O-N 3.44Å; S300-Q303 WeakPolarHBondContact O-CA 3.31Å; S300-Q303 WeakPolarHBondContact O-CB 3.3Å; S300-Q303 PolarHBondContact O-N 2.96Å; S300-Q303 WeakPolarHBondContact OG-CG 3.33Å; S300-Q303 PolarHBondContact OG-N 3.45Å; S300-I304 WeakPolarHBondContact O-CG1 3.43Å; S300-I304 PolarHBondContact O-N 2.9Å
301	L	97.6	Very high	97.3	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-31.7	-179.6	-68.2	-175.1	0	0	0	113	V166 V169 Q170 V239 L242 Q303 I304 M305	V166-L301 HydrophobicContact CG1-CD2 4.44Å; V169-L301 HydrophobicContact CB-CD1 3.97Å; V169-L301 HydrophobicContact CG1-CD1 3.69Å; Q170-L301 HydrophobicContact CB-CB 3.86Å; Q170-L301 HydrophobicContact CB-CD1 3.97Å; Q170-L301 HydrophobicContact CG-CB 3.99Å; V239-L301 HydrophobicContact CG2-CD2 3.84Å; V239-L301 HydrophobicContact CG2-CG 3.95Å; L242-L301 HydrophobicContact CD1-CD1 4.11Å; L242-L301 HydrophobicContact CD1-CD2 3.74Å; L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 3.07Å; L301-I304 HydrophobicContact CD2-CB 4.48Å; L301-I304 PolarHBondContact O-N 3.27Å; L301-M305 WeakPolarHBondContact O-CB 3.36Å; L301-M305 WeakPolarHBondContact O-CG 3.32Å; L301-M305 PolarHBondContact O-N 2.82Å
302	E	96	Very high	97.3	Very high	113 Å²	113	55.9 Å²	55.9	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-32.5	172.6	-66	173.5	-170.6	0	0	113.4	Q170 S300	Q170-E302 HydrophobicContact CG-CG 4.44Å; S300-E302 PolarHBondContact O-N 3.44Å
303	Q	96.9	Very high	97.1	Very high	125 Å²	125	56.9 Å²	56.9	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-75.8	-37.3	172.2	-67.3	168.6	-20.6	0	0	111.5	S300 L301 K306	S300-Q303 WeakPolarHBondContact O-CA 3.31Å; S300-Q303 WeakPolarHBondContact O-CB 3.3Å; S300-Q303 PolarHBondContact O-N 2.96Å; S300-Q303 WeakPolarHBondContact OG-CG 3.33Å; S300-Q303 PolarHBondContact OG-N 3.45Å; L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 3.07Å; Q303-K306 PolarHBondContact O-N 2.86Å
304	I	98.4	Very high	97	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-39	177.5	-65.2	-64.1	0	0	0	111.3	L286 K289 L290 S300 L301 K306 D307 M310	L286-I304 HydrophobicContact CD1-CD1 3.83Å; L286-I304 HydrophobicContact CD1-CG2 3.92Å; K289-I304 HydrophobicContact CB-CD1 3.66Å; K289-I304 HydrophobicContact CD-CD1 4.38Å; L290-I304 HydrophobicContact CD2-CD1 3.58Å; L290-I304 HydrophobicContact CD2-CG1 3.79Å; L290-I304 HydrophobicContact CD2-CG2 4.27Å; L290-I304 HydrophobicContact CG-CD1 4.09Å; S300-I304 WeakPolarHBondContact O-CG1 3.43Å; S300-I304 PolarHBondContact O-N 2.9Å; L301-I304 HydrophobicContact CD2-CB 4.48Å; L301-I304 PolarHBondContact O-N 3.27Å; I304-K306 PolarHBondContact O-N 2.71Å; I304-D307 WeakPolarHBondContact O-CB 3.31Å; I304-D307 PolarHBondContact O-N 2.64Å; I304-M310 VanDerWaalsContact O-CG 3.3Å; I304-M310 WeakPolarHBondContact O-CG 3.44Å
305	M	98.4	Very high	96.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-57.8	-31	178	-74.6	167.2	115.2	0	0	112.9	V166 Q170 L301 N311 L319 K320 P321	V166-M305 HydrophobicContact CG1-CG 3.57Å; Q170-M305 HydrophobicContact CB-CE 4.27Å; Q170-M305 HydrophobicContact CB-SD 4.06Å; Q170-M305 HydrophobicContact CG-CE 4.35Å; Q170-M305 HydrophobicContact CG-SD 3.75Å; L301-M305 WeakPolarHBondContact O-CB 3.36Å; L301-M305 WeakPolarHBondContact O-CG 3.32Å; L301-M305 PolarHBondContact O-N 2.82Å; M305-N311 PolarHBondContact O-ND2 3.48Å; M305-L319 HydrophobicContact CB-CB 4.35Å; M305-L319 HydrophobicContact CB-CD2 4.29Å; M305-L319 HydrophobicContact CB-CG 4.22Å; M305-L319 HydrophobicContact CE-CD1 4.37Å; M305-L319 HydrophobicContact CE-CD2 4.3Å; M305-L319 HydrophobicContact CE-CG 3.87Å; M305-L319 HydrophobicContact CG-CD2 3.87Å; M305-L319 HydrophobicContact CG-CG 4Å; M305-K320 VanDerWaalsContact CE-C 3.46Å; M305-K320 VanDerWaalsContact CE-O 3.24Å; M305-K320 WeakPolarHBondContact CE-O 3.38Å; M305-P321 HydrophobicContact SD-CG 4.41Å
306	K	97.8	Very high	96.5	Very high	145 Å²	145	64.9 Å²	64.9	63%	0.63	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	5.1	177.5	-53.7	-176.1	-177.1	-178	0	113.8	Q303 I304 E318	Q303-K306 PolarHBondContact O-N 2.86Å; I304-K306 PolarHBondContact O-N 2.71Å; K306-E318 WeakPolarHBondContact CB-OE1 3.43Å; K306-E318 WeakPolarHBondContact CG-OE1 3.48Å
307	D	98.4	Very high	96.4	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.048	33%	0.331	C	S	.	.			trans	-64.8	145.5	178.5	-174.2	-92.9	0	0	0	111.2	L286 K289 I304 W309 M310 N311	L286-D307 HydrophobicContact CD1-CB 4.12Å; K289-D307 WeakPolarHBondContact CE-OD2 3.35Å; K289-D307 IonicContact NZ-OD2 3.21Å; K289-D307 PolarHBondContact NZ-OD2 3.43Å; I304-D307 WeakPolarHBondContact O-CB 3.31Å; I304-D307 PolarHBondContact O-N 2.64Å; D307-W309 VanDerWaalsContact C-N 3.34Å; D307-W309 PolarHBondContact O-N 3.43Å; D307-W309 WeakPolarHBondContact OD1-CB 3.43Å; D307-W309 PolarHBondContact OD1-N 2.81Å; D307-M310 HydrophobicContact CB-CB 4.41Å; D307-M310 HydrophobicContact CB-CG 3.99Å; D307-M310 WeakPolarHBondContact O-CB 3.16Å; D307-M310 PolarHBondContact O-N 2.61Å; D307-M310 VanDerWaalsContact O-N 3.11Å; D307-N311 PolarHBondContact O-N 3.33Å; D307-N311 PolarHBondContact O-ND2 3.08Å
308	H	98.1	Very high	96.3	Very high	118 Å²	118	61.6 Å²	61.6	55%	0.546	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-47.2	-179.8	-175.3	57.1	0	0	0	111.4	D282 M310 N311 V312	D282-H308 IonicContact OD1-CD2 2.69Å; D282-H308 IonicContact OD2-CD2 2.65Å; H308-M310 PolarHBondContact O-N 3.23Å; H308-M310 VanDerWaalsContact O-N 3.16Å; H308-N311 PolarHBondContact O-N 3.15Å; H308-V312 WeakPolarHBondContact O-CG2 3.21Å; H308-V312 PolarHBondContact O-N 3.32Å; H308-V312 VanDerWaalsContact O-N 3.14Å
309	W	98.6	Very high	96.3	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-28.6	-179.7	-172.2	89.5	0	0	0	112.5	E155 A158 R159 F162 L246 V250 D282 C283 L286 D307 N311	E155-W309 HydrophobicContact CB-CZ2 3.91Å; E155-W309 HydrophobicContact CG-CZ2 4.23Å; E155-W309 PolarHBondContact OE2-NE1 3.14Å; A158-W309 HydrophobicContact CB-CH2 4.28Å; R159-W309 HydrophobicContact CB-CH2 3.77Å; R159-W309 HydrophobicContact CB-CZ2 4.22Å; R159-W309 HydrophobicContact CB-CZ3 3.94Å; R159-W309 WeakPolarHBondContact CD-O 3.28Å; R159-W309 HydrophobicContact CG-CZ3 4.3Å; R159-W309 PolarHBondContact NE-O 2.92Å; F162-W309 HydrophobicContact CB-CZ3 4.4Å; F162-W309 HydrophobicContact CD1-CZ3 4.1Å; L246-W309 HydrophobicContact CD1-CH2 3.49Å; L246-W309 VanDerWaalsContact CD1-CH2 3.49Å; L246-W309 HydrophobicContact CD1-CZ2 4.18Å; L246-W309 HydrophobicContact CD1-CZ3 3.77Å; V250-W309 HydrophobicContact CG1-CZ2 4.36Å; D282-W309 HydrophobicContact CB-CB 4.01Å; D282-W309 HydrophobicContact CB-CG 4.37Å; C283-W309 HydrophobicContact CB-CG 4.47Å; L286-W309 HydrophobicContact CB-CB 4.32Å; L286-W309 HydrophobicContact CD2-CB 4.14Å; L286-W309 HydrophobicContact CD2-CD2 3.97Å; L286-W309 HydrophobicContact CD2-CE3 3.36Å; L286-W309 HydrophobicContact CD2-CG 4.32Å; L286-W309 HydrophobicContact CD2-CZ3 4.06Å; D307-W309 VanDerWaalsContact C-N 3.34Å; D307-W309 PolarHBondContact O-N 3.43Å; D307-W309 WeakPolarHBondContact OD1-CB 3.43Å; D307-W309 PolarHBondContact OD1-N 2.81Å; W309-N311 VanDerWaalsContact C-N 3.28Å; W309-N311 PolarHBondContact O-N 2.81Å
310	M	98.2	Very high	96.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.6	-24.2	178	-68.1	-63.9	-74.6	0	0	113.2	F162 R163 V166 L286 I304 D307 H308 L319	F162-M310 HydrophobicContact CD1-CE 3.95Å; F162-M310 HydrophobicContact CD1-SD 3.52Å; F162-M310 VanDerWaalsContact CD1-SD 3.52Å; F162-M310 HydrophobicContact CE1-CE 4.44Å; F162-M310 HydrophobicContact CE1-SD 3.99Å; R163-M310 WeakPolarHBondContact CD-O 3.3Å; R163-M310 HydrophobicContact CG-CE 4.03Å; R163-M310 PolarHBondContact NH1-O 2.79Å; V166-M310 HydrophobicContact CB-CE 3.96Å; V166-M310 HydrophobicContact CG1-CE 4.26Å; V166-M310 HydrophobicContact CG2-CE 3.83Å; L286-M310 HydrophobicContact CD2-CG 4.09Å; L286-M310 HydrophobicContact CD2-SD 3.89Å; I304-M310 VanDerWaalsContact O-CG 3.3Å; I304-M310 WeakPolarHBondContact O-CG 3.44Å; D307-M310 HydrophobicContact CB-CB 4.41Å; D307-M310 HydrophobicContact CB-CG 3.99Å; D307-M310 WeakPolarHBondContact O-CB 3.16Å; D307-M310 PolarHBondContact O-N 2.61Å; D307-M310 VanDerWaalsContact O-N 3.11Å; H308-M310 PolarHBondContact O-N 3.23Å; H308-M310 VanDerWaalsContact O-N 3.16Å; M310-L319 HydrophobicContact CE-CD2 3.68Å
311	N	98.2	Very high	96.4	Very high	18 Å²	18	67.7 Å²	67.7	10%	0.096	34%	0.34	C	S	.	.	H	α-helix	trans	-118.9	-1.4	-168.2	-61	-67.9	0	0	0	114.8	R163 M305 D307 H308 W309 G313 H314 E318 L319	R163-N311 PolarHBondContact NH1-OD1 3.18Å; M305-N311 PolarHBondContact O-ND2 3.48Å; D307-N311 PolarHBondContact O-N 3.33Å; D307-N311 PolarHBondContact O-ND2 3.08Å; H308-N311 PolarHBondContact O-N 3.15Å; W309-N311 VanDerWaalsContact C-N 3.28Å; W309-N311 PolarHBondContact O-N 2.81Å; N311-G313 PolarHBondContact O-N 3.36Å; N311-G313 VanDerWaalsContact O-N 3.16Å; N311-H314 CarbonylContact O-C 3.59Å; N311-H314 WeakPolarHBondContact O-CA 3.38Å; N311-H314 PolarHBondContact O-N 2.99Å; N311-E318 WeakPolarHBondContact OD1-CA 3.48Å; N311-L319 PolarHBondContact OD1-N 2.92Å
312	V	97.6	Very high	96.4	Very high	46 Å²	46	69.9 Å²	69.9	28%	0.279	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	118.2	169.8	175	0	0	0	0	110.8	R159 H308	R159-V312 WeakPolarHBondContact CD-O 3.29Å; R159-V312 PolarHBondContact NH1-O 3.02Å; H308-V312 WeakPolarHBondContact O-CG2 3.21Å; H308-V312 PolarHBondContact O-N 3.32Å; H308-V312 VanDerWaalsContact O-N 3.14Å
313	G	95.8	Very high	96.4	Very high	51 Å²	51	71.5 Å²	71.5	53%	0.526	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	15.6	-174.4	0	0	0	0	0	114.6	N311 E315	N311-G313 PolarHBondContact O-N 3.36Å; N311-G313 VanDerWaalsContact O-N 3.16Å; G313-E315 WeakPolarHBondContact CA-OE2 3.23Å; G313-E315 PolarHBondContact N-OE1 3.44Å; G313-E315 PolarHBondContact N-OE2 3.49Å
314	H	95.1	Very high	96.2	Very high	57 Å²	57	67.9 Å²	67.9	26%	0.264	34%	0.342	S	S	.	.			trans	-139.9	39.5	175.7	-65.5	-80.4	0	0	0	110.3	N311 D316 E317 E318	N311-H314 CarbonylContact O-C 3.59Å; N311-H314 WeakPolarHBondContact O-CA 3.38Å; N311-H314 PolarHBondContact O-N 2.99Å; H314-D316 VanDerWaalsContact C-N 3.34Å; H314-D316 PolarHBondContact O-N 2.89Å; H314-E317 CarbonylContact O-C 3.59Å; H314-E317 PolarHBondContact O-N 2.95Å; H314-E317 VanDerWaalsContact O-N 3.14Å; H314-E318 PolarHBondContact O-N 3.2Å
315	E	90.4	Very high	95.8	Very high	132 Å²	132	71.7 Å²	71.7	62%	0.617	37%	0.366	S	S	*	.	S	Bend	trans	-62.1	-39.3	-173.4	-67.6	71.7	-161.5	0	0	112.3	G313	G313-E315 WeakPolarHBondContact CA-OE2 3.23Å; G313-E315 PolarHBondContact N-OE1 3.44Å; G313-E315 PolarHBondContact N-OE2 3.49Å
316	D	90.6	Very high	95.2	Very high	166 Å²	166	80.9 Å²	80.9	89%	0.888	41%	0.41	S	S	*	.	S	Bend	trans	-80.5	-17.4	176.9	-55.1	-56.7	0	0	0	113.3	H314	H314-D316 VanDerWaalsContact C-N 3.34Å; H314-D316 PolarHBondContact O-N 2.89Å
317	E	92.8	Very high	94.5	Very high	142 Å²	142	76.9 Å²	76.9	66%	0.664	40%	0.4	S	S	*	.	S	Bend	trans	-126.3	57.6	-175.1	-68	-172.1	169.2	0	0	111.1	R163 H314 L319	R163-E317 PolarHBondContact NH2-O 3.03Å; H314-E317 CarbonylContact O-C 3.59Å; H314-E317 PolarHBondContact O-N 2.95Å; H314-E317 VanDerWaalsContact O-N 3.14Å; E317-L319 PolarHBondContact O-N 3.15Å
318	E	94.9	Very high	93.6	Very high	80 Å²	80	81.4 Å²	81.4	37%	0.374	42%	0.424	S	S	.	.			trans	-52.9	137.3	174.5	-166.6	-168.6	-169.5	0	0	110.9	K306 N311 H314 K320	K306-E318 WeakPolarHBondContact CB-OE1 3.43Å; K306-E318 WeakPolarHBondContact CG-OE1 3.48Å; N311-E318 WeakPolarHBondContact OD1-CA 3.48Å; H314-E318 PolarHBondContact O-N 3.2Å; E318-K320 PolarHBondContact O-N 3.26Å
319	L	96.9	Very high	93.1	Very high	18 Å²	18	77.8 Å²	77.8	9%	0.094	41%	0.407	C	S	.	.			trans	-66	120.3	179.9	-172.6	61	0	0	0	110.7	R163 V166 M305 M310 N311 E317	R163-L319 HydrophobicContact CB-CD1 4.46Å; R163-L319 HydrophobicContact CB-CD2 4.09Å; R163-L319 HydrophobicContact CG-CD2 4.15Å; V166-L319 HydrophobicContact CB-CD2 4.41Å; V166-L319 HydrophobicContact CG1-CD2 4.21Å; M305-L319 HydrophobicContact CB-CB 4.35Å; M305-L319 HydrophobicContact CB-CD2 4.29Å; M305-L319 HydrophobicContact CB-CG 4.22Å; M305-L319 HydrophobicContact CE-CD1 4.37Å; M305-L319 HydrophobicContact CE-CD2 4.3Å; M305-L319 HydrophobicContact CE-CG 3.87Å; M305-L319 HydrophobicContact CG-CD2 3.87Å; M305-L319 HydrophobicContact CG-CG 4Å; M310-L319 HydrophobicContact CE-CD2 3.68Å; N311-L319 PolarHBondContact OD1-N 2.92Å; E317-L319 PolarHBondContact O-N 3.15Å
320	K	96.6	Very high	92.6	Very high	137 Å²	137	83.9 Å²	83.9	60%	0.596	44%	0.439	S	S	*	.			trans	-119.9	154.8	-178.6	-69.8	164	-170.9	171.2	0	111	M305 E318 Y322	M305-K320 VanDerWaalsContact CE-C 3.46Å; M305-K320 VanDerWaalsContact CE-O 3.24Å; M305-K320 WeakPolarHBondContact CE-O 3.38Å; E318-K320 PolarHBondContact O-N 3.26Å; K320-Y322 PolarHBondContact O-N 2.86Å
321	P	97.4	Very high	92.3	Very high	54 Å²	54	85.8 Å²	85.8	35%	0.351	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-46.5	133.4	170.4	-32.2	38.8	0	0	0	112.1	M305 I323	M305-P321 HydrophobicContact SD-CG 4.41Å; P321-I323 PolarHBondContact O-N 3Å
322	Y	97.4	Very high	92	Very high	53 Å²	53	89.1 Å²	89.1	21%	0.208	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-73.7	119.3	-177.4	175.6	-96.6	0	0	0	110.2	H115 P116 Y171 K320 E324 P325	H115-Y322 HydrophobicContact CB-CE1 4.47Å; H115-Y322 AromaticContact CD2-CD1 3.46Å; H115-Y322 VanDerWaalsContact CD2-CD1 3.46Å; H115-Y322 WeakPolarHBondContact CD2-CD1 3.43Å; H115-Y322 AromaticContact CD2-CD2 3.97Å; H115-Y322 AromaticContact CD2-CE1 3.95Å; H115-Y322 AromaticContact CD2-CG 3.45Å; H115-Y322 VanDerWaalsContact CD2-CG 3.45Å; H115-Y322 VanDerWaalsContact NE2-CB 3.27Å; H115-Y322 WeakPolarHBondContact NE2-CB 3.42Å; H115-Y322 AromaticContact NE2-CD2 3.78Å; H115-Y322 AromaticContact NE2-CG 3.54Å; P116-Y322 WeakPolarHBondContact CD-OH 3.43Å; P116-Y322 HydrophobicContact CG-CE2 4.03Å; Y171-Y322 AromaticContact CD2-CD1 3.66Å; Y171-Y322 HydrophobicContact CD2-CD1 3.66Å; Y171-Y322 HydrophobicContact CD2-CE1 4.37Å; Y171-Y322 HydrophobicContact CE2-CD1 4.01Å; Y171-Y322 HydrophobicContact CE2-CE1 4.28Å; Y171-Y322 HydrophobicContact CG-CD1 4.3Å; K320-Y322 PolarHBondContact O-N 2.86Å; Y322-E324 HydrophobicContact CE1-CB 4.02Å; Y322-E324 HydrophobicContact CE1-CG 4.28Å; Y322-P325 VanDerWaalsContact OH-CD 3.27Å; Y322-P325 WeakPolarHBondContact OH-CD 3.34Å
323	I	95.8	Very high	91.9	Very high	148 Å²	148	91.2 Å²	91.2	76%	0.759	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-88.3	120.3	170.8	-57.5	175.9	0	0	0	107	P321	P321-I323 PolarHBondContact O-N 3Å
324	E	92.8	Very high	91.8	Very high	49 Å²	49	92 Å²	92	23%	0.229	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-72.5	129	177.9	-167.7	176.9	151.1	0	0	110.3	N114 Y171 R175 Y322	N114-E324 VanDerWaalsContact CB-OE1 3.29Å; N114-E324 WeakPolarHBondContact CB-OE1 3.5Å; N114-E324 PolarHBondContact ND2-OE1 3.41Å; Y171-E324 HydrophobicContact CE2-CB 4.27Å; Y171-E324 WeakPolarHBondContact CE2-OE2 3.14Å; Y171-E324 PolarHBondContact OH-OE2 2.86Å; R175-E324 IonicContact CZ-OE2 2.71Å; R175-E324 IonicContact NE-OE2 3.08Å; R175-E324 PolarHBondContact NE-OE2 3.43Å; R175-E324 IonicContact NH2-OE2 2.64Å; R175-E324 PolarHBondContact NH2-OE2 3.28Å; Y322-E324 HydrophobicContact CE1-CB 4.02Å; Y322-E324 HydrophobicContact CE1-CG 4.28Å
325	P	90.4	Very high	91.8	Very high	80 Å²	80	90.3 Å²	90.3	52%	0.519	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-68	150	174.8	29.8	-34.9	0	0	0	110.6	Y322 S327	Y322-P325 VanDerWaalsContact OH-CD 3.27Å; Y322-P325 WeakPolarHBondContact OH-CD 3.34Å; P325-S327 PolarHBondContact O-N 2.72Å
326	E	86.3	Confident	92.1	Very high	195 Å²	195	90.5 Å²	90.5	91%	0.911	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-57.8	139.1	172.7	-65.1	-174.6	167.8	0	0	110.7	D328	E326-D328 PolarHBondContact O-N 3.19Å
327	S	82.7	Confident	92.3	Very high	60 Å²	60	86.1 Å²	86.1	42%	0.42	45%	0.448	S	S	.	.			trans	-80.6	104.8	-176.8	-70.6	0	0	0	0	110.7	P325 F329	P325-S327 PolarHBondContact O-N 2.72Å; S327-F329 VanDerWaalsContact CB-CE2 3.45Å; S327-F329 PolarHBondContact O-N 3.22Å
328	D	79.9	Confident	92.5	Very high	104 Å²	104	79.3 Å²	79.3	56%	0.556	42%	0.416	S	S	*	.			trans	-77.2	100.4	174.3	-173.6	10.3	0	0	0	111.8	E326 N330 Y364	E326-D328 PolarHBondContact O-N 3.19Å; D328-N330 WeakPolarHBondContact OD1-CA 3.33Å; D328-N330 WeakPolarHBondContact OD1-CB 3.14Å; D328-N330 PolarHBondContact OD1-N 3.45Å; D328-Y364 PolarHBondContact O-OH 3.2Å
329	F	87.6	Confident	92.6	Very high	43 Å²	43	78.7 Å²	78.7	19%	0.189	42%	0.418	C	S	.	.			trans	-96.8	10.5	172.5	-64.3	-59.1	0	0	0	113.1	S327 L352 M361 Y364	S327-F329 VanDerWaalsContact CB-CE2 3.45Å; S327-F329 PolarHBondContact O-N 3.22Å; F329-L352 HydrophobicContact CB-CB 4.19Å; F329-L352 HydrophobicContact CB-CD1 4.24Å; F329-L352 HydrophobicContact CD1-CB 4.19Å; F329-L352 HydrophobicContact CD1-CD1 4.41Å; F329-L352 HydrophobicContact CD1-CD2 3.89Å; F329-L352 HydrophobicContact CD1-CG 4.38Å; F329-L352 HydrophobicContact CE1-CD2 4.26Å; F329-L352 HydrophobicContact CG-CB 4.22Å; F329-M361 HydrophobicContact CE1-CE 4.34Å; F329-M361 HydrophobicContact CZ-CE 4.28Å; F329-Y364 VanDerWaalsContact C-OH 3.3Å; F329-Y364 VanDerWaalsContact CA-OH 3.32Å; F329-Y364 WeakPolarHBondContact CA-OH 3.17Å; F329-Y364 HydrophobicContact CD1-CD1 4.26Å; F329-Y364 AromaticContact CD1-CE1 3.77Å; F329-Y364 HydrophobicContact CD1-CE1 3.77Å; F329-Y364 HydrophobicContact CE1-CE1 4.45Å
330	N	87.4	Confident	92.6	Very high	129 Å²	129	83.1 Å²	83.1	69%	0.69	45%	0.445	S	S	*	.			trans	-108	19.6	-175.1	-60.3	-45.4	0	0	0	113.4	D328 S332	D328-N330 WeakPolarHBondContact OD1-CA 3.33Å; D328-N330 WeakPolarHBondContact OD1-CB 3.14Å; D328-N330 PolarHBondContact OD1-N 3.45Å; N330-S332 VanDerWaalsContact C-N 3.33Å; N330-S332 PolarHBondContact O-N 3.17Å
331	D	91.7	Very high	92.5	Very high	39 Å²	39	79.8 Å²	79.8	21%	0.209	43%	0.433	C	S	.	.			trans	-66.4	91.4	175.7	-173.8	-31.7	0	0	0	110	S333 R334 I335 Y364	D331-S333 PolarHBondContact O-N 3.41Å; D331-S333 VanDerWaalsContact O-N 3.15Å; D331-S333 WeakPolarHBondContact OD1-CB 3.12Å; D331-S333 PolarHBondContact OD1-N 3.21Å; D331-R334 HydrophobicContact CB-CB 4.28Å; D331-R334 HydrophobicContact CB-CG 4.23Å; D331-R334 PolarHBondContact O-N 2.92Å; D331-R334 PolarHBondContact OD1-N 3.16Å; D331-R334 VanDerWaalsContact OD1-N 3.1Å; D331-R334 IonicContact OD2-CZ 3.11Å; D331-R334 IonicContact OD2-NE 2.74Å; D331-R334 PolarHBondContact OD2-NE 3.41Å; D331-R334 IonicContact OD2-NH2 3.84Å; D331-R334 PolarHBondContact OD2-NH2 2.81Å; D331-I335 WeakPolarHBondContact O-CG1 3.4Å; D331-I335 PolarHBondContact O-N 2.62Å; D331-Y364 HydrophobicContact CB-CE2 4.22Å; D331-Y364 VanDerWaalsContact CB-OH 3.3Å; D331-Y364 WeakPolarHBondContact CB-OH 3.4Å; D331-Y364 PolarHBondContact N-OH 2.89Å
332	S	92.7	Very high	92.4	Very high	88 Å²	88	80.2 Å²	80.2	62%	0.615	45%	0.447	S	S	*	.	H	α-helix	trans	-55.8	-30.4	-178.7	-64	0	0	0	0	113.1	N330 I335 E336	N330-S332 VanDerWaalsContact C-N 3.33Å; N330-S332 PolarHBondContact O-N 3.17Å; S332-I335 PolarHBondContact O-N 3.24Å; S332-E336 VanDerWaalsContact O-CB 3.25Å; S332-E336 WeakPolarHBondContact O-CB 3.48Å; S332-E336 PolarHBondContact O-N 2.93Å
333	S	94.1	Very high	92.4	Very high	91 Å²	91	78.9 Å²	78.9	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-70.4	-37.5	178.6	-60.1	0	0	0	0	111.5	D331 L337	D331-S333 PolarHBondContact O-N 3.41Å; D331-S333 VanDerWaalsContact O-N 3.15Å; D331-S333 WeakPolarHBondContact OD1-CB 3.12Å; D331-S333 PolarHBondContact OD1-N 3.21Å; S333-L337 VanDerWaalsContact O-CB 3.29Å; S333-L337 WeakPolarHBondContact O-CB 3.21Å; S333-L337 PolarHBondContact O-N 3.23Å; S333-L337 VanDerWaalsContact O-N 3.13Å
334	R	94.7	Very high	92.4	Very high	66 Å²	66	75.1 Å²	75.1	25%	0.249	43%	0.428	C	S	.	.	H	α-helix	trans	-70.8	-41.8	172.4	-67.4	-178.5	-140.5	161	16.7	112	D331 L337 M338 Y364 L367 G368	D331-R334 HydrophobicContact CB-CB 4.28Å; D331-R334 HydrophobicContact CB-CG 4.23Å; D331-R334 PolarHBondContact O-N 2.92Å; D331-R334 PolarHBondContact OD1-N 3.16Å; D331-R334 VanDerWaalsContact OD1-N 3.1Å; D331-R334 IonicContact OD2-CZ 3.11Å; D331-R334 IonicContact OD2-NE 2.74Å; D331-R334 PolarHBondContact OD2-NE 3.41Å; D331-R334 IonicContact OD2-NH2 3.84Å; D331-R334 PolarHBondContact OD2-NH2 2.81Å; R334-L337 PolarHBondContact O-N 3.46Å; R334-M338 WeakPolarHBondContact O-CB 3.4Å; R334-M338 WeakPolarHBondContact O-CG 3.17Å; R334-M338 PolarHBondContact O-N 3.08Å; R334-Y364 HydrophobicContact CB-CD2 3.81Å; R334-Y364 HydrophobicContact CB-CE2 3.7Å; R334-Y364 HydrophobicContact CG-CE2 4.46Å; R334-L367 HydrophobicContact CB-CD1 4.45Å; R334-L367 HydrophobicContact CG-CB 4.1Å; R334-G368 VanDerWaalsContact CZ-CA 3.45Å
335	I	95.6	Very high	92.5	Very high	22 Å²	22	79.4 Å²	79.4	11%	0.113	45%	0.445	C	S	.	.	H	α-helix	trans	-62.7	-47.3	179.6	-64.4	166.1	0	0	0	110.1	D331 S332 M338 V339 K345 I348 Y364	D331-I335 WeakPolarHBondContact O-CG1 3.4Å; D331-I335 PolarHBondContact O-N 2.62Å; S332-I335 PolarHBondContact O-N 3.24Å; I335-M338 PolarHBondContact O-N 2.65Å; I335-V339 WeakPolarHBondContact O-CG2 3.49Å; I335-V339 PolarHBondContact O-N 2.94Å; I335-K345 HydrophobicContact CG2-CG 4.19Å; I335-I348 HydrophobicContact CG1-CG2 4.27Å; I335-I348 HydrophobicContact CG2-CD1 4.29Å; I335-Y364 HydrophobicContact CG1-CE2 4.2Å
336	E	95.8	Very high	92.8	Very high	137 Å²	137	83.6 Å²	83.6	64%	0.64	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-44.9	176.6	-175.5	171.6	-160.8	0	0	111.7	S332 M338 V339 T340	S332-E336 VanDerWaalsContact O-CB 3.25Å; S332-E336 WeakPolarHBondContact O-CB 3.48Å; S332-E336 PolarHBondContact O-N 2.93Å; E336-M338 VanDerWaalsContact C-N 3.33Å; E336-M338 PolarHBondContact O-N 2.85Å; E336-V339 WeakPolarHBondContact O-CB 3.42Å; E336-V339 PolarHBondContact O-N 3.35Å; E336-V339 VanDerWaalsContact O-N 3.12Å; E336-T340 PolarHBondContact O-N 2.99Å
337	L	95.3	Very high	93.3	Very high	73 Å²	73	78.7 Å²	78.7	38%	0.382	44%	0.435	S	S	.	.	H	α-helix	trans	-59	-42.5	174.9	-179.5	58.8	0	0	0	112	S333 R334 T340 M341 L367	S333-L337 VanDerWaalsContact O-CB 3.29Å; S333-L337 WeakPolarHBondContact O-CB 3.21Å; S333-L337 PolarHBondContact O-N 3.23Å; S333-L337 VanDerWaalsContact O-N 3.13Å; R334-L337 PolarHBondContact O-N 3.46Å; L337-T340 PolarHBondContact O-N 2.87Å; L337-T340 PolarHBondContact O-OG1 3.28Å; L337-M341 HydrophobicContact CD1-CE 4.08Å; L337-M341 HydrophobicContact CD2-CE 4.3Å; L337-M341 HydrophobicContact CG-CE 3.93Å; L337-M341 WeakPolarHBondContact O-CG 3.39Å; L337-M341 PolarHBondContact O-N 3.31Å; L337-L367 HydrophobicContact CD2-CD1 4.05Å; L337-L367 HydrophobicContact CD2-CD2 3.64Å; L337-L367 HydrophobicContact CD2-CG 4.46Å; L337-L367 HydrophobicContact CG-CD1 4.34Å
338	M	97.1	Very high	94	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-65.2	-36.5	174.9	-74.1	176.5	69.1	0	0	112.8	R334 I335 E336 T340 M341 G342 F343 I348 V360 T363 Y364 L367	R334-M338 WeakPolarHBondContact O-CB 3.4Å; R334-M338 WeakPolarHBondContact O-CG 3.17Å; R334-M338 PolarHBondContact O-N 3.08Å; I335-M338 PolarHBondContact O-N 2.65Å; E336-M338 VanDerWaalsContact C-N 3.33Å; E336-M338 PolarHBondContact O-N 2.85Å; M338-T340 VanDerWaalsContact C-N 3.32Å; M338-T340 PolarHBondContact O-N 2.85Å; M338-M341 CarbonylContact O-C 3.59Å; M338-M341 WeakPolarHBondContact O-CA 3.41Å; M338-M341 WeakPolarHBondContact O-CB 3.44Å; M338-M341 PolarHBondContact O-N 3.36Å; M338-M341 VanDerWaalsContact O-N 3.08Å; M338-G342 PolarHBondContact O-N 2.88Å; M338-F343 HydrophobicContact CB-CB 4.39Å; M338-F343 HydrophobicContact CB-CD2 4.08Å; M338-F343 HydrophobicContact CE-CD2 4.18Å; M338-F343 HydrophobicContact CE-CG 4.35Å; M338-F343 HydrophobicContact CG-CD2 4.45Å; M338-F343 WeakPolarHBondContact O-CD2 3.49Å; M338-F343 PolarHBondContact O-N 2.89Å; M338-F343 VanDerWaalsContact O-N 3.08Å; M338-I348 HydrophobicContact CB-CD1 3.59Å; M338-I348 HydrophobicContact CB-CG1 4.43Å; M338-I348 HydrophobicContact CE-CD1 4.33Å; M338-I348 HydrophobicContact CE-CG1 3.97Å; M338-I348 HydrophobicContact CE-CG2 4.32Å; M338-I348 HydrophobicContact SD-CG2 4.47Å; M338-V360 HydrophobicContact CE-CG1 3.76Å; M338-V360 WeakPolarHBondContact CE-O 3.49Å; M338-T363 HydrophobicContact CE-CG2 4.12Å; M338-T363 HydrophobicContact CG-CG2 3.99Å; M338-T363 HydrophobicContact SD-CG2 4.25Å; M338-Y364 HydrophobicContact SD-CD2 4.06Å; M338-Y364 HydrophobicContact SD-CG 4.37Å; M338-L367 HydrophobicContact CG-CD1 3.66Å; M338-L367 HydrophobicContact SD-CD1 4.28Å
339	V	96.9	Very high	94.7	Very high	67 Å²	67	73.5 Å²	73.5	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-41	171.6	172.3	0	0	0	0	110.8	I335 E336 M341 G342 F343 K345 I348	I335-V339 WeakPolarHBondContact O-CG2 3.49Å; I335-V339 PolarHBondContact O-N 2.94Å; E336-V339 WeakPolarHBondContact O-CB 3.42Å; E336-V339 PolarHBondContact O-N 3.35Å; E336-V339 VanDerWaalsContact O-N 3.12Å; V339-M341 VanDerWaalsContact C-N 3.26Å; V339-M341 PolarHBondContact O-N 3.03Å; V339-G342 PolarHBondContact O-N 3.03Å; V339-F343 WeakPolarHBondContact CA-O 3.5Å; V339-K345 HydrophobicContact CG2-CB 4.18Å; V339-I348 HydrophobicContact CG2-CD1 4.02Å
340	T	96.4	Very high	95.1	Very high	110 Å²	110	74.8 Å²	74.8	68%	0.675	41%	0.413	S	S	*	.	H	α-helix	trans	-67.7	-23.7	173.8	69.3	0	0	0	0	113.9	E336 L337 M338	E336-T340 PolarHBondContact O-N 2.99Å; L337-T340 PolarHBondContact O-N 2.87Å; L337-T340 PolarHBondContact O-OG1 3.28Å; M338-T340 VanDerWaalsContact C-N 3.32Å; M338-T340 PolarHBondContact O-N 2.85Å
341	M	95.2	Very high	95.5	Very high	68 Å²	68	68.6 Å²	68.6	34%	0.335	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.8	171	-66.8	173.3	174.6	0	0	113.1	L337 M338 V339 F343 T363 L367	L337-M341 HydrophobicContact CD1-CE 4.08Å; L337-M341 HydrophobicContact CD2-CE 4.3Å; L337-M341 HydrophobicContact CG-CE 3.93Å; L337-M341 WeakPolarHBondContact O-CG 3.39Å; L337-M341 PolarHBondContact O-N 3.31Å; M338-M341 CarbonylContact O-C 3.59Å; M338-M341 WeakPolarHBondContact O-CA 3.41Å; M338-M341 WeakPolarHBondContact O-CB 3.44Å; M338-M341 PolarHBondContact O-N 3.36Å; M338-M341 VanDerWaalsContact O-N 3.08Å; V339-M341 VanDerWaalsContact C-N 3.26Å; V339-M341 PolarHBondContact O-N 3.03Å; M341-F343 HydrophobicContact CB-CD2 4.08Å; M341-F343 HydrophobicContact CB-CE2 4.19Å; M341-T363 HydrophobicContact SD-CG2 4.28Å; M341-L367 HydrophobicContact CE-CD2 4.3Å
342	G	95.3	Very high	95.7	Very high	62 Å²	62	67 Å²	67	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.1	4.7	176.5	0	0	0	0	0	115.5	M338 V339	M338-G342 PolarHBondContact O-N 2.88Å; V339-G342 PolarHBondContact O-N 3.03Å
343	F	96.6	Very high	95.7	Very high	25 Å²	25	69.7 Å²	69.7	11%	0.11	37%	0.374	C	S	.	.			trans	-80.8	124.1	177.1	-64.8	-77.5	0	0	0	111.3	L80 M338 V339 M341 I348 V360 T363	L80-F343 HydrophobicContact CD1-CE2 3.84Å; L80-F343 HydrophobicContact CD1-CZ 3.69Å; M338-F343 HydrophobicContact CB-CB 4.39Å; M338-F343 HydrophobicContact CB-CD2 4.08Å; M338-F343 HydrophobicContact CE-CD2 4.18Å; M338-F343 HydrophobicContact CE-CG 4.35Å; M338-F343 HydrophobicContact CG-CD2 4.45Å; M338-F343 WeakPolarHBondContact O-CD2 3.49Å; M338-F343 PolarHBondContact O-N 2.89Å; M338-F343 VanDerWaalsContact O-N 3.08Å; V339-F343 WeakPolarHBondContact CA-O 3.5Å; M341-F343 HydrophobicContact CB-CD2 4.08Å; M341-F343 HydrophobicContact CB-CE2 4.19Å; F343-I348 HydrophobicContact CB-CD1 3.89Å; F343-I348 HydrophobicContact CB-CG1 3.83Å; F343-V360 HydrophobicContact CD1-CG1 4.38Å; F343-V360 HydrophobicContact CD1-CG2 3.87Å; F343-V360 HydrophobicContact CE1-CG2 3.9Å; F343-T363 HydrophobicContact CE2-CG2 4.04Å
344	P	96.6	Very high	95.7	Very high	70 Å²	70	70.1 Å²	70.1	46%	0.455	37%	0.37	S	S	.	.			trans	-59.4	135.9	172.6	-21.7	32.5	0	0	0	112.1	E346 E347 I348	P344-E346 PolarHBondContact O-N 2.66Å; P344-E347 HydrophobicContact CB-CB 4.15Å; P344-E347 VanDerWaalsContact CD-OE2 3.27Å; P344-E347 WeakPolarHBondContact CD-OE2 3.31Å; P344-E347 HydrophobicContact CG-CB 4.42Å; P344-E347 WeakPolarHBondContact O-CB 3.45Å; P344-E347 PolarHBondContact O-N 2.81Å; P344-E347 VanDerWaalsContact O-N 3.07Å; P344-I348 WeakPolarHBondContact O-CG1 3.33Å; P344-I348 PolarHBondContact O-N 3.3Å
345	K	95.3	Very high	95.6	Very high	139 Å²	139	71.1 Å²	71.1	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-33.9	-179.3	-173.5	176.4	178.2	-179.6	0	113.3	I335 V339 T349	I335-K345 HydrophobicContact CG2-CG 4.19Å; V339-K345 HydrophobicContact CG2-CB 4.18Å; K345-T349 WeakPolarHBondContact O-CB 3.15Å; K345-T349 PolarHBondContact O-N 3.27Å; K345-T349 PolarHBondContact O-OG1 3.04Å
346	E	95.8	Very high	95.7	Very high	168 Å²	168	74.3 Å²	74.3	79%	0.785	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-46	175.9	-66.1	173.5	-168.6	0	0	111.4	P344 T349 D350	P344-E346 PolarHBondContact O-N 2.66Å; E346-T349 PolarHBondContact O-N 3.4Å; E346-D350 WeakPolarHBondContact O-CB 3.15Å; E346-D350 PolarHBondContact O-N 3.12Å
347	E	96.8	Very high	95.7	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-40.9	177.6	-172.1	178.9	176.1	0	0	112.1	P344 T349 S351 V360	P344-E347 HydrophobicContact CB-CB 4.15Å; P344-E347 VanDerWaalsContact CD-OE2 3.27Å; P344-E347 WeakPolarHBondContact CD-OE2 3.31Å; P344-E347 HydrophobicContact CG-CB 4.42Å; P344-E347 WeakPolarHBondContact O-CB 3.45Å; P344-E347 PolarHBondContact O-N 2.81Å; P344-E347 VanDerWaalsContact O-N 3.07Å; E347-T349 VanDerWaalsContact C-N 3.34Å; E347-T349 PolarHBondContact O-N 2.76Å; E347-S351 VanDerWaalsContact O-CB 3.24Å; E347-S351 WeakPolarHBondContact O-CB 3.46Å; E347-S351 PolarHBondContact O-N 2.85Å; E347-V360 HydrophobicContact CG-CG2 4.19Å
348	I	96.6	Very high	95.8	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-48.7	171.8	-59.5	168.9	0	0	0	110.2	I335 M338 V339 F343 P344 L352 V360	I335-I348 HydrophobicContact CG1-CG2 4.27Å; I335-I348 HydrophobicContact CG2-CD1 4.29Å; M338-I348 HydrophobicContact CB-CD1 3.59Å; M338-I348 HydrophobicContact CB-CG1 4.43Å; M338-I348 HydrophobicContact CE-CD1 4.33Å; M338-I348 HydrophobicContact CE-CG1 3.97Å; M338-I348 HydrophobicContact CE-CG2 4.32Å; M338-I348 HydrophobicContact SD-CG2 4.47Å; V339-I348 HydrophobicContact CG2-CD1 4.02Å; F343-I348 HydrophobicContact CB-CD1 3.89Å; F343-I348 HydrophobicContact CB-CG1 3.83Å; P344-I348 WeakPolarHBondContact O-CG1 3.33Å; P344-I348 PolarHBondContact O-N 3.3Å; I348-L352 HydrophobicContact CG2-CD1 3.81Å; I348-L352 HydrophobicContact CG2-CG 4.39Å; I348-L352 WeakPolarHBondContact O-CB 3.29Å; I348-L352 WeakPolarHBondContact O-CG 2.96Å; I348-L352 PolarHBondContact O-N 3.06Å; I348-L352 VanDerWaalsContact O-N 3.08Å; I348-V360 HydrophobicContact CB-CG1 4.36Å; I348-V360 HydrophobicContact CG1-CG1 4.05Å
349	T	94.7	Very high	95.8	Very high	54 Å²	54	69.8 Å²	69.8	33%	0.331	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-47.7	-177	-54.6	0	0	0	0	111	K345 E346 E347 L352 Q353	K345-T349 WeakPolarHBondContact O-CB 3.15Å; K345-T349 PolarHBondContact O-N 3.27Å; K345-T349 PolarHBondContact O-OG1 3.04Å; E346-T349 PolarHBondContact O-N 3.4Å; E347-T349 VanDerWaalsContact C-N 3.34Å; E347-T349 PolarHBondContact O-N 2.76Å; T349-L352 PolarHBondContact O-N 3Å; T349-Q353 HydrophobicContact CG2-CG 4.4Å; T349-Q353 WeakPolarHBondContact O-CB 3.45Å; T349-Q353 VanDerWaalsContact O-CG 3.26Å; T349-Q353 WeakPolarHBondContact O-CG 3.41Å; T349-Q353 PolarHBondContact O-N 3.16Å
350	D	96.1	Very high	95.9	Very high	69 Å²	69	66.6 Å²	66.6	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-41.6	179.8	177.3	70.5	0	0	0	112.8	E346 N354 K356	E346-D350 WeakPolarHBondContact O-CB 3.15Å; E346-D350 PolarHBondContact O-N 3.12Å; D350-N354 WeakPolarHBondContact O-CB 3.17Å; D350-N354 PolarHBondContact O-N 2.8Å; D350-N354 VanDerWaalsContact O-N 3.1Å; D350-N354 PolarHBondContact O-ND2 2.97Å; D350-N354 PolarHBondContact OD1-ND2 3.07Å; D350-K356 VanDerWaalsContact OD2-CE 3.28Å; D350-K356 WeakPolarHBondContact OD2-CE 3.2Å; D350-K356 IonicContact OD2-NZ 3.48Å; D350-K356 PolarHBondContact OD2-NZ 3.48Å
351	S	96.9	Very high	95.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-44.6	176.4	167.1	0	0	0	0	112.4	E347 Q355 K356 D358 M361	E347-S351 VanDerWaalsContact O-CB 3.24Å; E347-S351 WeakPolarHBondContact O-CB 3.46Å; E347-S351 PolarHBondContact O-N 2.85Å; S351-Q355 WeakPolarHBondContact O-CA 3.29Å; S351-Q355 PolarHBondContact O-N 3.21Å; S351-K356 PolarHBondContact O-N 3.03Å; S351-D358 VanDerWaalsContact OG-CG 3.31Å; S351-D358 PolarHBondContact OG-OD1 2.81Å; S351-D358 PolarHBondContact OG-OD2 3.33Å; S351-M361 WeakPolarHBondContact OG-CB 3.26Å; S351-M361 PolarHBondContact OG-N 3.49Å
352	L	94.7	Very high	96	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-69.3	-44.5	180	-66.7	178.9	0	0	0	112.4	F329 I348 T349 Q355 M361 Y364	F329-L352 HydrophobicContact CB-CB 4.19Å; F329-L352 HydrophobicContact CB-CD1 4.24Å; F329-L352 HydrophobicContact CD1-CB 4.19Å; F329-L352 HydrophobicContact CD1-CD1 4.41Å; F329-L352 HydrophobicContact CD1-CD2 3.89Å; F329-L352 HydrophobicContact CD1-CG 4.38Å; F329-L352 HydrophobicContact CE1-CD2 4.26Å; F329-L352 HydrophobicContact CG-CB 4.22Å; I348-L352 HydrophobicContact CG2-CD1 3.81Å; I348-L352 HydrophobicContact CG2-CG 4.39Å; I348-L352 WeakPolarHBondContact O-CB 3.29Å; I348-L352 WeakPolarHBondContact O-CG 2.96Å; I348-L352 PolarHBondContact O-N 3.06Å; I348-L352 VanDerWaalsContact O-N 3.08Å; T349-L352 PolarHBondContact O-N 3Å; L352-Q355 PolarHBondContact O-N 3.16Å; L352-M361 HydrophobicContact CD2-CB 4.37Å; L352-M361 HydrophobicContact CD2-CG 4.05Å; L352-Y364 HydrophobicContact CD1-CD1 4.12Å; L352-Y364 HydrophobicContact CD1-CD2 3.81Å; L352-Y364 HydrophobicContact CD1-CE1 4.31Å; L352-Y364 HydrophobicContact CD1-CE2 4.01Å; L352-Y364 HydrophobicContact CD1-CG 3.87Å; L352-Y364 HydrophobicContact CD2-CD1 3.67Å; L352-Y364 HydrophobicContact CD2-CE1 4.38Å; L352-Y364 HydrophobicContact CD2-CG 3.79Å; L352-Y364 HydrophobicContact CG-CG 4.47Å
353	Q	92.8	Very high	96.1	Very high	144 Å²	144	55.3 Å²	55.3	67%	0.673	27%	0.273	S	S	*	.	H	α-helix	trans	-64.1	-43.5	179	-74.4	179	-1.5	0	0	112.3	T349 Q355	T349-Q353 HydrophobicContact CG2-CG 4.4Å; T349-Q353 WeakPolarHBondContact O-CB 3.45Å; T349-Q353 VanDerWaalsContact O-CG 3.26Å; T349-Q353 WeakPolarHBondContact O-CG 3.41Å; T349-Q353 PolarHBondContact O-N 3.16Å; Q353-Q355 VanDerWaalsContact C-N 3.27Å; Q353-Q355 PolarHBondContact O-N 3.14Å
354	N	94.3	Very high	96.1	Very high	101 Å²	101	54.2 Å²	54.2	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.1	178.6	-67.9	-67.7	0	0	0	113.8	D350 K356	D350-N354 WeakPolarHBondContact O-CB 3.17Å; D350-N354 PolarHBondContact O-N 2.8Å; D350-N354 VanDerWaalsContact O-N 3.1Å; D350-N354 PolarHBondContact O-ND2 2.97Å; D350-N354 PolarHBondContact OD1-ND2 3.07Å; N354-K356 HydrophobicContact CB-CG 3.97Å; N354-K356 PolarHBondContact O-N 3.17Å
355	Q	94.1	Very high	96	Very high	86 Å²	86	52 Å²	52	40%	0.402	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	56.6	-176.6	-58	-175.3	20	0	0	112.3	S351 L352 Q353 Y357 M361	S351-Q355 WeakPolarHBondContact O-CA 3.29Å; S351-Q355 PolarHBondContact O-N 3.21Å; L352-Q355 PolarHBondContact O-N 3.16Å; Q353-Q355 VanDerWaalsContact C-N 3.27Å; Q353-Q355 PolarHBondContact O-N 3.14Å; Q355-Y357 VanDerWaalsContact C-N 3.34Å; Q355-Y357 HydrophobicContact CB-CE2 4.25Å; Q355-Y357 WeakPolarHBondContact O-CD2 3.39Å; Q355-Y357 PolarHBondContact O-N 3.19Å; Q355-M361 HydrophobicContact CB-CE 3.95Å; Q355-M361 HydrophobicContact CB-SD 4.32Å; Q355-M361 HydrophobicContact CG-CE 4.09Å
356	K	95.8	Very high	96	Very high	90 Å²	90	45.5 Å²	45.5	39%	0.391	22%	0.224	S	C	.	.			trans	-67.5	-32.6	-172.2	-68.3	-174.2	-177.7	176.3	0	113.3	K111 D350 S351 N354 D358	K111-K356 PolarHBondContact NZ-O 2.97Å; D350-K356 VanDerWaalsContact OD2-CE 3.28Å; D350-K356 WeakPolarHBondContact OD2-CE 3.2Å; D350-K356 IonicContact OD2-NZ 3.48Å; D350-K356 PolarHBondContact OD2-NZ 3.48Å; S351-K356 PolarHBondContact O-N 3.03Å; N354-K356 HydrophobicContact CB-CG 3.97Å; N354-K356 PolarHBondContact O-N 3.17Å; K356-D358 VanDerWaalsContact C-N 3.28Å; K356-D358 HydrophobicContact CB-CB 4.32Å; K356-D358 WeakPolarHBondContact CB-OD2 3.2Å; K356-D358 WeakPolarHBondContact CD-OD2 3.26Å
357	Y	97	Very high	95.9	Very high	18 Å²	18	38.8 Å²	38.8	7%	0.071	19%	0.193	C	C	.	.			trans	57.4	41.7	-166.2	-64.1	-104.2	0	0	0	112	K111 L121 E123 V124 Q355 M361	K111-Y357 HydrophobicContact CB-CD2 4.43Å; K111-Y357 HydrophobicContact CB-CE2 3.81Å; K111-Y357 HydrophobicContact CD-CD2 3.53Å; K111-Y357 HydrophobicContact CD-CE2 3.76Å; K111-Y357 HydrophobicContact CD-CG 4.24Å; K111-Y357 HydrophobicContact CG-CD1 4.49Å; K111-Y357 HydrophobicContact CG-CD2 3.65Å; K111-Y357 HydrophobicContact CG-CE1 4.38Å; K111-Y357 HydrophobicContact CG-CE2 3.52Å; K111-Y357 HydrophobicContact CG-CG 4.16Å; K111-Y357 PolarHBondContact O-OH 2.99Å; K111-Y357 VanDerWaalsContact O-OH 3.05Å; L121-Y357 HydrophobicContact CB-CD1 4.29Å; L121-Y357 HydrophobicContact CB-CE1 4.04Å; L121-Y357 HydrophobicContact CD2-CD1 3.77Å; L121-Y357 HydrophobicContact CD2-CE1 3.98Å; L121-Y357 HydrophobicContact CD2-CG 4.35Å; L121-Y357 HydrophobicContact CG-CD1 3.84Å; L121-Y357 HydrophobicContact CG-CE1 4.08Å; E123-Y357 WeakPolarHBondContact CA-O 3.48Å; E123-Y357 WeakPolarHBondContact CG-O 3.39Å; V124-Y357 PolarHBondContact N-O 3.22Å; Q355-Y357 VanDerWaalsContact C-N 3.34Å; Q355-Y357 HydrophobicContact CB-CE2 4.25Å; Q355-Y357 WeakPolarHBondContact O-CD2 3.39Å; Q355-Y357 PolarHBondContact O-N 3.19Å; Y357-M361 HydrophobicContact CD1-SD 4.45Å; Y357-M361 HydrophobicContact CD2-CE 4.4Å; Y357-M361 HydrophobicContact CD2-SD 3.87Å; Y357-M361 HydrophobicContact CE2-CE 4.09Å; Y357-M361 HydrophobicContact CE2-SD 4.17Å; Y357-M361 HydrophobicContact CG-SD 4.02Å; Y357-M361 PolarHBondContact N-SD 3.1Å
358	D	97.5	Very high	95.6	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	19%	0.192	C	C	.	.	S	Bend	trans	-88.9	-178	165.1	54.9	24.9	0	0	0	110.6	S351 K356 V360 M361 A362	S351-D358 VanDerWaalsContact OG-CG 3.31Å; S351-D358 PolarHBondContact OG-OD1 2.81Å; S351-D358 PolarHBondContact OG-OD2 3.33Å; K356-D358 VanDerWaalsContact C-N 3.28Å; K356-D358 HydrophobicContact CB-CB 4.32Å; K356-D358 WeakPolarHBondContact CB-OD2 3.2Å; K356-D358 WeakPolarHBondContact CD-OD2 3.26Å; D358-V360 VanDerWaalsContact C-N 3.27Å; D358-V360 PolarHBondContact O-N 2.85Å; D358-V360 PolarHBondContact OD1-N 2.87Å; D358-M361 PolarHBondContact O-N 3.42Å; D358-M361 PolarHBondContact OD1-N 3.36Å; D358-A362 VanDerWaalsContact O-CB 3.31Å; D358-A362 WeakPolarHBondContact O-CB 3.39Å; D358-A362 PolarHBondContact O-N 3.11Å
359	D	97.2	Very high	95.1	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-67.4	-26.6	-177.3	67.8	-43.1	0	0	0	113.5	N58 E123 T363	N58-D359 WeakPolarHBondContact ND2-CB 3.38Å; N58-D359 PolarHBondContact ND2-OD2 2.88Å; E123-D359 WeakPolarHBondContact OE2-CA 3.46Å; D359-T363 VanDerWaalsContact O-CB 3.27Å; D359-T363 WeakPolarHBondContact O-CB 3.24Å; D359-T363 PolarHBondContact O-N 3.44Å; D359-T363 PolarHBondContact O-OG1 3.07Å
360	V	97.6	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-54.9	171.9	-172.8	0	0	0	0	110.2	M338 F343 E347 I348 D358 A362 T363 Y364	M338-V360 HydrophobicContact CE-CG1 3.76Å; M338-V360 WeakPolarHBondContact CE-O 3.49Å; F343-V360 HydrophobicContact CD1-CG1 4.38Å; F343-V360 HydrophobicContact CD1-CG2 3.87Å; F343-V360 HydrophobicContact CE1-CG2 3.9Å; E347-V360 HydrophobicContact CG-CG2 4.19Å; I348-V360 HydrophobicContact CB-CG1 4.36Å; I348-V360 HydrophobicContact CG1-CG1 4.05Å; D358-V360 VanDerWaalsContact C-N 3.27Å; D358-V360 PolarHBondContact O-N 2.85Å; D358-V360 PolarHBondContact OD1-N 2.87Å; V360-A362 VanDerWaalsContact C-N 3.33Å; V360-A362 PolarHBondContact O-N 2.69Å; V360-T363 PolarHBondContact O-N 3.34Å; V360-Y364 PolarHBondContact O-N 2.92Å; V360-Y364 VanDerWaalsContact O-N 3.16Å
361	M	96.9	Very high	92.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-42	176.8	-176.7	174.9	-165.6	0	0	111.5	F329 S351 L352 Q355 Y357 D358 T363 Y364 L365	F329-M361 HydrophobicContact CE1-CE 4.34Å; F329-M361 HydrophobicContact CZ-CE 4.28Å; S351-M361 WeakPolarHBondContact OG-CB 3.26Å; S351-M361 PolarHBondContact OG-N 3.49Å; L352-M361 HydrophobicContact CD2-CB 4.37Å; L352-M361 HydrophobicContact CD2-CG 4.05Å; Q355-M361 HydrophobicContact CB-CE 3.95Å; Q355-M361 HydrophobicContact CB-SD 4.32Å; Q355-M361 HydrophobicContact CG-CE 4.09Å; Y357-M361 HydrophobicContact CD1-SD 4.45Å; Y357-M361 HydrophobicContact CD2-CE 4.4Å; Y357-M361 HydrophobicContact CD2-SD 3.87Å; Y357-M361 HydrophobicContact CE2-CE 4.09Å; Y357-M361 HydrophobicContact CE2-SD 4.17Å; Y357-M361 HydrophobicContact CG-SD 4.02Å; Y357-M361 PolarHBondContact N-SD 3.1Å; D358-M361 PolarHBondContact O-N 3.42Å; D358-M361 PolarHBondContact OD1-N 3.36Å; M361-T363 VanDerWaalsContact C-N 3.35Å; M361-T363 PolarHBondContact O-N 3.04Å; M361-Y364 PolarHBondContact O-N 2.97Å; M361-L365 HydrophobicContact CE-CD1 4.29Å; M361-L365 HydrophobicContact CG-CD1 4.01Å; M361-L365 HydrophobicContact CG-CG 4.36Å; M361-L365 VanDerWaalsContact O-CG 3.31Å; M361-L365 WeakPolarHBondContact O-CG 3.16Å; M361-L365 PolarHBondContact O-N 2.75Å
362	A	97.4	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-42.8	178.4	0	0	0	0	0	111.7	Y59 F122 E123 D358 V360 L365 L366	Y59-A362 WeakPolarHBondContact OH-CB 3.4Å; F122-A362 HydrophobicContact CB-CB 4.15Å; E123-A362 HydrophobicContact CB-CB 3.78Å; E123-A362 HydrophobicContact CG-CB 4.02Å; E123-A362 WeakPolarHBondContact OE2-CB 3.38Å; D358-A362 VanDerWaalsContact O-CB 3.31Å; D358-A362 WeakPolarHBondContact O-CB 3.39Å; D358-A362 PolarHBondContact O-N 3.11Å; V360-A362 VanDerWaalsContact C-N 3.33Å; V360-A362 PolarHBondContact O-N 2.69Å; A362-L365 PolarHBondContact O-N 2.85Å; A362-L366 WeakPolarHBondContact O-CB 3.38Å; A362-L366 WeakPolarHBondContact O-CG 3.38Å; A362-L366 PolarHBondContact O-N 3.03Å
363	T	97.2	Very high	88.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-48.5	176	-63.5	0	0	0	0	111.3	H78 T81 M338 M341 F343 D359 V360 M361 L365 L366 L367	H78-T363 PolarHBondContact CE1-OG1 3.07Å; T81-T363 HydrophobicContact CG2-CG2 4.04Å; M338-T363 HydrophobicContact CE-CG2 4.12Å; M338-T363 HydrophobicContact CG-CG2 3.99Å; M338-T363 HydrophobicContact SD-CG2 4.25Å; M341-T363 HydrophobicContact SD-CG2 4.28Å; F343-T363 HydrophobicContact CE2-CG2 4.04Å; D359-T363 VanDerWaalsContact O-CB 3.27Å; D359-T363 WeakPolarHBondContact O-CB 3.24Å; D359-T363 PolarHBondContact O-N 3.44Å; D359-T363 PolarHBondContact O-OG1 3.07Å; V360-T363 PolarHBondContact O-N 3.34Å; M361-T363 VanDerWaalsContact C-N 3.35Å; M361-T363 PolarHBondContact O-N 3.04Å; T363-L365 PolarHBondContact O-N 3.27Å; T363-L366 PolarHBondContact O-N 3.35Å; T363-L367 HydrophobicContact CG2-CD1 4.28Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 2.96Å
364	Y	96.5	Very high	85.6	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-46.6	176.3	-179.3	-94.3	0	0	0	112.5	D328 F329 D331 R334 I335 M338 L352 V360 M361 L366 L367 G368	D328-Y364 PolarHBondContact O-OH 3.2Å; F329-Y364 VanDerWaalsContact C-OH 3.3Å; F329-Y364 VanDerWaalsContact CA-OH 3.32Å; F329-Y364 WeakPolarHBondContact CA-OH 3.17Å; F329-Y364 HydrophobicContact CD1-CD1 4.26Å; F329-Y364 AromaticContact CD1-CE1 3.77Å; F329-Y364 HydrophobicContact CD1-CE1 3.77Å; F329-Y364 HydrophobicContact CE1-CE1 4.45Å; D331-Y364 HydrophobicContact CB-CE2 4.22Å; D331-Y364 VanDerWaalsContact CB-OH 3.3Å; D331-Y364 WeakPolarHBondContact CB-OH 3.4Å; D331-Y364 PolarHBondContact N-OH 2.89Å; R334-Y364 HydrophobicContact CB-CD2 3.81Å; R334-Y364 HydrophobicContact CB-CE2 3.7Å; R334-Y364 HydrophobicContact CG-CE2 4.46Å; I335-Y364 HydrophobicContact CG1-CE2 4.2Å; M338-Y364 HydrophobicContact SD-CD2 4.06Å; M338-Y364 HydrophobicContact SD-CG 4.37Å; L352-Y364 HydrophobicContact CD1-CD1 4.12Å; L352-Y364 HydrophobicContact CD1-CD2 3.81Å; L352-Y364 HydrophobicContact CD1-CE1 4.31Å; L352-Y364 HydrophobicContact CD1-CE2 4.01Å; L352-Y364 HydrophobicContact CD1-CG 3.87Å; L352-Y364 HydrophobicContact CD2-CD1 3.67Å; L352-Y364 HydrophobicContact CD2-CE1 4.38Å; L352-Y364 HydrophobicContact CD2-CG 3.79Å; L352-Y364 HydrophobicContact CG-CG 4.47Å; V360-Y364 PolarHBondContact O-N 2.92Å; V360-Y364 VanDerWaalsContact O-N 3.16Å; M361-Y364 PolarHBondContact O-N 2.97Å; Y364-L366 PolarHBondContact O-N 3.42Å; Y364-L367 PolarHBondContact O-N 3.04Å; Y364-G368 PolarHBondContact O-N 2.7Å
365	L	95.2	Very high	83.2	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-36.2	179.8	-70.2	176	0	0	0	112.7	F122 M361 A362 T363	F122-L365 HydrophobicContact CD1-CB 4Å; F122-L365 HydrophobicContact CD1-CD1 4.29Å; M361-L365 HydrophobicContact CE-CD1 4.29Å; M361-L365 HydrophobicContact CG-CD1 4.01Å; M361-L365 HydrophobicContact CG-CG 4.36Å; M361-L365 VanDerWaalsContact O-CG 3.31Å; M361-L365 WeakPolarHBondContact O-CG 3.16Å; M361-L365 PolarHBondContact O-N 2.75Å; A362-L365 PolarHBondContact O-N 2.85Å; T363-L365 PolarHBondContact O-N 3.27Å
366	L	95.6	Very high	80.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-75.6	-33.9	179.3	-71.6	172.1	0	0	0	112.7	Y59 H78 T81 R83 V85 F122 A362 T363 Y364 G368 R369	Y59-L366 HydrophobicContact CE1-CD1 4.29Å; H78-L366 HydrophobicContact CB-CD1 3.84Å; T81-L366 HydrophobicContact CG2-CB 4.37Å; R83-L366 HydrophobicContact CB-CD2 4.25Å; R83-L366 HydrophobicContact CG-CB 4.43Å; R83-L366 PolarHBondContact NH1-O 3.3Å; V85-L366 HydrophobicContact CG1-CD1 4.32Å; V85-L366 HydrophobicContact CG1-CD2 3.74Å; F122-L366 HydrophobicContact CD1-CD2 4.32Å; F122-L366 HydrophobicContact CD2-CD2 3.75Å; F122-L366 HydrophobicContact CD2-CG 4.43Å; F122-L366 HydrophobicContact CE1-CD2 4.28Å; F122-L366 HydrophobicContact CE2-CD2 3.67Å; F122-L366 HydrophobicContact CG-CD2 4.08Å; F122-L366 HydrophobicContact CG-CG 4.36Å; F122-L366 HydrophobicContact CZ-CD2 3.97Å; A362-L366 WeakPolarHBondContact O-CB 3.38Å; A362-L366 WeakPolarHBondContact O-CG 3.38Å; A362-L366 PolarHBondContact O-N 3.03Å; T363-L366 PolarHBondContact O-N 3.35Å; Y364-L366 PolarHBondContact O-N 3.42Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 3.02Å; L366-R369 PolarHBondContact O-N 2.68Å
367	L	94.1	Very high	77.5	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-39.2	172.1	-75.9	175	0	0	0	111.8	T81 R334 L337 M338 M341 T363 Y364 R369	T81-L367 HydrophobicContact CG2-CD2 3.69Å; T81-L367 HydrophobicContact CG2-CG 3.82Å; R334-L367 HydrophobicContact CB-CD1 4.45Å; R334-L367 HydrophobicContact CG-CB 4.1Å; L337-L367 HydrophobicContact CD2-CD1 4.05Å; L337-L367 HydrophobicContact CD2-CD2 3.64Å; L337-L367 HydrophobicContact CD2-CG 4.46Å; L337-L367 HydrophobicContact CG-CD1 4.34Å; M338-L367 HydrophobicContact CG-CD1 3.66Å; M338-L367 HydrophobicContact SD-CD1 4.28Å; M341-L367 HydrophobicContact CE-CD2 4.3Å; T363-L367 HydrophobicContact CG2-CD1 4.28Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 2.96Å; Y364-L367 PolarHBondContact O-N 3.04Å; L367-R369 PolarHBondContact O-N 3.16Å
368	G	89.2	Confident	74.3	Confident	39 Å²	39	68.6 Å²	68.6	40%	0.402	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.8	179.5	0	0	0	0	0	116.2	R334 Y364 L366	R334-G368 VanDerWaalsContact CZ-CA 3.45Å; Y364-G368 PolarHBondContact O-N 2.7Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 3.02Å
369	R	85.6	Confident	71.2	Confident	84 Å²	84	71.9 Å²	71.9	32%	0.317	40%	0.395	S	S	.	.	S	Bend	trans	-87.6	157	175.9	-69.9	-175.1	166.6	-113.4	4.2	110.8	R83 F122 E136 L366 L367 A371	R83-R369 VanDerWaalsContact CZ-O 3.27Å; R83-R369 PolarHBondContact NH1-O 3.41Å; R83-R369 PolarHBondContact NH2-O 3.21Å; F122-R369 VanDerWaalsContact CZ-NE 3.27Å; E136-R369 IonicContact OE1-CZ 2.93Å; E136-R369 IonicContact OE1-NH1 3.06Å; E136-R369 PolarHBondContact OE1-NH1 3.02Å; E136-R369 IonicContact OE1-NH2 2.65Å; E136-R369 PolarHBondContact OE1-NH2 3.09Å; E136-R369 IonicContact OE2-CZ 2.58Å; E136-R369 IonicContact OE2-NH1 2.73Å; E136-R369 IonicContact OE2-NH2 3.96Å; E136-R369 PolarHBondContact OE2-NH2 2.68Å; L366-R369 PolarHBondContact O-N 2.68Å; L367-R369 PolarHBondContact O-N 3.16Å; R369-A371 PolarHBondContact O-N 3.41Å
370	K	73.4	Confident	68	Low	200 Å²	200	77.6 Å²	77.6	87%	0.87	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-65.1	134.1	169.1	-67.6	-174.8	178.3	-178.3	0	110.5	R83	R83-K370 PolarHBondContact NH1-O 2.76Å
371	A	62.1	Low	65	Low	62 Å²	62	83.3 Å²	83.3	51%	0.512	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.4	145.6	175.3	0	0	0	0	0	110.2	R83 R369 E373	R83-A371 VanDerWaalsContact CZ-CA 3.5Å; R369-A371 PolarHBondContact O-N 3.41Å; A371-E373 PolarHBondContact O-N 2.62Å
372	P	54.8	Low	61.9	Low	71 Å²	71	91.3 Å²	91.3	46%	0.461	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-60.4	126.9	163	27.6	-32	0	0	0	107.9	F374	P372-F374 PolarHBondContact O-N 2.88Å
373	E	45.7	Very low	58.8	Low	196 Å²	196	96 Å²	96	92%	0.916	54%	0.535	S	S	*	.			trans	-59.1	112	176.1	-68.3	178.8	168	0	0	108.8	A371 E375	A371-E373 PolarHBondContact O-N 2.62Å; E373-E375 PolarHBondContact O-N 3.43Å
374	F	40.8	Very low	55.9	Low	140 Å²	140	103.6 Å²	103.6	61%	0.614	57%	0.574	S	S	*	*			trans	-83.8	106.7	-176.2	-174.5	-94.1	0	0	0	109.8	P372 G376 S377	P372-F374 PolarHBondContact O-N 2.88Å; F374-G376 PolarHBondContact O-N 3.49Å; F374-S377 VanDerWaalsContact CD1-OG 3.27Å; F374-S377 WeakPolarHBondContact CD1-OG 3.39Å
375	E	42.9	Very low	52.9	Low	171 Å²	171	110.9 Å²	110.9	80%	0.799	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	100.1	168.1	-77.9	-170.9	140.2	0	0	110	E373	E373-E375 PolarHBondContact O-N 3.43Å
376	G	38.7	Very low	49.7	Very low	70 Å²	70	113.3 Å²	113.3	72%	0.722	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.2	23.7	161.8	0	0	0	0	0	118.2	F374	F374-G376 PolarHBondContact O-N 3.49Å
377	S	31.3	Very low	46.7	Very low	77 Å²	77	121.9 Å²	121.9	54%	0.538	68%	0.683	S	S	.	*			trans	-136.9	122.8	163	61.7	0	0	0	0	110.7	F374	F374-S377 VanDerWaalsContact CD1-OG 3.27Å; F374-S377 WeakPolarHBondContact CD1-OG 3.39Å
378	E	30.5	Very low	43.6	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	72%	0.72	S	S	*	*			trans	-48.2	135.1	168.9	-72.3	-76.1	122.9	0	0	110.2	L380	E378-L380 PolarHBondContact O-N 3.46Å
379	P	31.8	Very low	40.7	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	74%	0.74	S	S	*	*			trans	-67.6	110.5	176.1	27.8	-32.4	0	0	0	109.3	T381	P379-T381 PolarHBondContact O-N 3.01Å; P379-T381 VanDerWaalsContact O-N 3.15Å
380	L	31.7	Very low	38.3	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	77%	0.766	S	S	*	*			trans	-56.1	122.2	168.3	-81.5	173.3	0	0	0	109.1	E378 N382	E378-L380 PolarHBondContact O-N 3.46Å; L380-N382 PolarHBondContact O-N 3.08Å
381	T	33.8	Very low	36.3	Very low	120 Å²	120	142.4 Å²	142.4	74%	0.736	77%	0.765	S	S	*	*			trans	-68.4	120.4	-168.6	48.5	0	0	0	0	112.5	P379	P379-T381 PolarHBondContact O-N 3.01Å; P379-T381 VanDerWaalsContact O-N 3.15Å
382	N	31.4	Very low	34.9	Very low	171 Å²	171	145 Å²	145	91%	0.914	78%	0.775	S	S	*	*			trans	-102.3	101.3	151.5	-82.5	-2.4	0	0	0	108.4	L380	L380-N382 PolarHBondContact O-N 3.08Å
383	S	32.1	Very low	34	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	79%	0.79	S	S	*	*			trans	-111.1	161.6	166.3	-77.8	0	0	0	0	109.4
384	I	37	Very low	33.4	Very low	159 Å²	159	144.3 Å²	144.3	82%	0.815	78%	0.782	S	S	*	*			trans	79	124	175.7	-53.5	179.2	0	0	0	111.8
385	L	34.2	Very low	33.2	Very low	155 Å²	155	145.1 Å²	145.1	81%	0.812	79%	0.792	S	S	*	*			cis	-150.1	149.5	4.8	-127.2	162.5	0	0	0	110.5
386	G	27.8	Very low	32.7	Very low	75 Å²	75	144.3 Å²	144.3	77%	0.773	79%	0.793	S	S	*	*			trans	171.6	77.4	175.1	0	0	0	0	0	113.9
387	Q	32.8	Very low	32.3	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	80%	0.8	S	S	*	*			trans	-68.1	139.3	-179.5	-69.5	175.4	-36	0	0	112.7
388	R	29.2	Very low	32.3	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	81%	0.807	S	S	*	*			trans	-142.7	146.9	142.6	-138.4	172.9	-176.3	-176.8	0.8	111.3
389	Q	28.3	Very low	32.3	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85.1	150.4	-151.5	-64.5	151.7	-47.3	0	0	114.1
390	R	33.9	Very low	32.3	Very low	228 Å²	228	146.8 Å²	146.8	86%	0.86	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.8	139.5	150.9	-76.5	-178.5	179.1	152.8	0.3	108.7
391	P	32.4	Very low	32.2	Very low	131 Å²	131	145.9 Å²	145.9	85%	0.851	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75	134.1	161.5	31	-30.9	0	0	0	110
392	T	31.5	Very low	32.1	Very low	117 Å²	117	145 Å²	145	72%	0.718	80%	0.802	S	S	*	*			trans	-131.9	131.2	170.2	49.8	0	0	0	0	109.1
393	S	36.5	Very low	32.9	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	80%	0.795	S	S	*	*			trans	177.8	149.8	148.6	45.7	0	0	0	0	109.5
394	D	33.3	Very low	32.7	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	80%	0.799	S	S	*	*			cis	-165.7	-175.4	-24.9	-103.7	-43.1	0	0	0	108.7
395	I	36.4	Very low	32.5	Very low	158 Å²	158	143.5 Å²	143.5	81%	0.81	80%	0.801	S	S	*	*			trans	92.1	93.6	156.6	-45.1	-174.1	0	0	0	117.9
396	N	32.5	Very low	33.2	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	79%	0.793	S	S	*	*			trans	8	130.3	133.4	-68.6	-17.8	0	0	0	119.8
397	N	29.2	Very low	33.3	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	80%	0.797	S	S	*	*				-154.1	164.6	102.7	-150.6	-3.4	0	0	0	111.8
398	S	31.6	Very low	33.1	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	80%	0.795	S	S	*	*			trans	-134.2	176.4	-175.7	67.7	0	0	0	0	113
399	S	31.3	Very low	33.1	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	78%	0.782	S	S	*	*			trans	74.8	136.5	-165.3	78.3	0	0	0	0	113.7
400	S	30.8	Very low	33.3	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	78%	0.783	S	S	*	*			cis	-148	146.7	12.1	42.5	0	0	0	0	108.2
401	I	31.1	Very low	33.2	Very low	156 Å²	156	133.8 Å²	133.8	80%	0.8	77%	0.773	S	S	*	*				48.1	120	77.8	-58.1	175.6	0	0	0	111.6
402	S	31.1	Very low	33.1	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	77%	0.773	S	S	*	*			cis	-178.9	-177	-2.6	-104.9	0	0	0	0	108.2
403	P	47.4	Very low	33	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	78%	0.777	S	S	*	*			cis	-135.9	-164.7	-32.3	38.4	-19	0	0	0	113.4
404	A	29	Very low	32.8	Very low	96 Å²	96	134.4 Å²	134.4	79%	0.793	78%	0.776	S	S	*	*			trans	101.1	131.9	148.2	0	0	0	0	0	122.2
405	H	32.6	Very low	32.7	Very low	183 Å²	183	135 Å²	135	85%	0.847	78%	0.78	S	S	*	*			trans	-82.6	-162.9	167.7	-54.3	-89.9	0	0	0	110.5
406	P	47.6	Very low	32.5	Very low	99 Å²	99	136.7 Å²	136.7	64%	0.643	78%	0.784	S	S	*	*			cis	-145	168	-3	35	-12.4	0	0	0	119.3
407	K	30.4	Very low	32.4	Very low	196 Å²	196	138.9 Å²	138.9	85%	0.852	79%	0.786	S	S	*	*			trans	66.6	156.3	156.5	-64.2	154.1	-175.5	177.6	0	114.5
408	V	30	Very low	32.4	Very low	134 Å²	134	140.5 Å²	140.5	81%	0.812	79%	0.789	S	S	*	*			cis	-148.3	155.2	42.9	167	0	0	0	0	112.7
409	T	29.1	Very low	32.4	Very low	104 Å²	104	147.2 Å²	147.2	64%	0.638	80%	0.799	S	S	*	*			trans	-60.2	159.8	-174.6	52.4	0	0	0	0	121.7
410	R	32.6	Very low	32.6	Very low	230 Å²	230	152.1 Å²	152.1	87%	0.868	80%	0.799	S	S	*	*			trans	66.3	159.9	140.2	-72.5	167.2	-177.7	-174.4	2.2	117.7
411	S	31.4	Very low	32.5	Very low	94 Å²	94	157.5 Å²	157.5	66%	0.657	81%	0.805	S	S	*	*			cis	-167.5	149	-21.4	-94	0	0	0	0	109.7
412	I	29.7	Very low	32.9	Very low	165 Å²	165	153.9 Å²	153.9	85%	0.846	79%	0.794	S	S	*	*			trans	13.2	122.6	144.1	-50.4	163.2	0	0	0	118.1
413	S	30.5	Very low	33	Very low	115 Å²	115	155.3 Å²	155.3	80%	0.804	79%	0.793	S	S	*	*				-169.3	155.9	122.1	-148.3	0	0	0	0	117
414	A	30.9	Very low	32.5	Very low	90 Å²	90	157.4 Å²	157.4	74%	0.744	79%	0.793	S	S	*	*			trans	5.1	136.3	160.2	0	0	0	0	0	122.3
415	N	32.2	Very low	32.6	Very low	156 Å²	156	159.5 Å²	159.5	83%	0.834	80%	0.795	S	S	*	*			trans	-96.5	118.2	166.5	-132.8	-26.6	0	0	0	109.8
416	Q	30.7	Very low	32.4	Very low	193 Å²	193	153.8 Å²	153.8	90%	0.902	79%	0.786	S	S	*	*			trans	-133.8	114.2	171.5	-155.7	177.8	31.3	0	0	107.8
417	K	32.1	Very low	32.7	Very low	199 Å²	199	154.9 Å²	154.9	87%	0.865	79%	0.793	S	S	*	*			trans	-102.2	117.3	-177.8	-87.5	-172.2	173.7	-178.2	0	111.6
418	Q	28.9	Very low	32.8	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	79%	0.786	S	S	*	*			trans	-122.1	156.3	164.7	-135.3	176.6	7.5	0	0	109.8
419	R	31.1	Very low	33.1	Very low	236 Å²	236	150.5 Å²	150.5	89%	0.891	79%	0.787	S	S	*	*			trans	-80.8	157.9	-171.4	-63.4	171.3	165.6	-173.4	-5.6	113.7
420	R	35	Very low	34.2	Very low	226 Å²	226	151.1 Å²	151.1	85%	0.853	79%	0.793	S	S	*	*				-173.4	128.6	121.7	-101.6	173.8	179.9	-168	0.1	111.1
421	Y	29.5	Very low	35.6	Very low	214 Å²	214	145.6 Å²	145.6	84%	0.839	79%	0.787	S	S	*	*				72.4	147.9	111.5	-84.8	-121.5	0	0	0	115.5
422	S	38.2	Very low	35.8	Very low	80 Å²	80	145.4 Å²	145.4	56%	0.559	79%	0.791	S	S	*	*			cis	-173.2	162.7	-11.2	173.5	0	0	0	0	109.6
423	D	33.8	Very low	35.9	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	79%	0.792	S	S	*	*			trans	176.5	114.8	132.3	-86.5	-7.9	0	0	0	112.1
424	H	37.7	Very low	35.9	Very low	162 Å²	162	143.3 Å²	143.3	75%	0.75	79%	0.785	S	S	*	*				75.7	134.1	108	-71	102.9	0	0	0	114.5
425	V	31.3	Very low	35.8	Very low	140 Å²	140	149.2 Å²	149.2	85%	0.848	79%	0.789	S	S	*	*			cis	-148.9	160.3	28.1	-179.8	0	0	0	0	112.1
426	G	28.8	Very low	35.6	Very low	64 Å²	64	146.2 Å²	146.2	66%	0.66	78%	0.781	S	S	*	*			trans	-97.7	-157.2	174.1	0	0	0	0	0	115.4
427	P	53	Low	35.6	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	77%	0.774	S	S	*	*			cis	-149.4	174.3	35.8	41.7	-20.1	0	0	0	120.5
428	S	33.2	Very low	35.5	Very low	101 Å²	101	145.8 Å²	145.8	71%	0.706	77%	0.77	S	S	*	*			trans	59.3	129.4	151.3	49.3	0	0	0	0	123.4
429	V	35	Very low	35.4	Very low	137 Å²	137	141.3 Å²	141.3	83%	0.83	75%	0.752	S	S	*	*			cis	89.8	136.5	25.8	178.3	0	0	0	0	112.5
430	P	53.6	Low	35.3	Very low	116 Å²	116	138.3 Å²	138.3	75%	0.753	75%	0.749	S	S	*	*			cis	-143	-153.4	37.1	46.9	-23.3	0	0	0	117.1
431	P	61.8	Low	35	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	74%	0.74	S	S	*	*				-147.4	-179.3	-97	47.8	-26.7	0	0	0	120.9
432	A	35.7	Very low	34.9	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	74%	0.741	S	S	*	*			trans	65.7	168	146.3	0	0	0	0	0	120.9
433	V	31.6	Very low	34.3	Very low	142 Å²	142	130.6 Å²	130.6	86%	0.861	75%	0.751	S	S	*	*			cis	-143.2	-175.9	9.4	-156.5	0	0	0	0	111.2
434	S	30.2	Very low	34.2	Very low	94 Å²	94	129.8 Å²	129.8	66%	0.657	75%	0.751	S	S	*	*			trans	-109.5	-164	-170.1	54	0	0	0	0	116.3
435	Y	28.5	Very low	33.8	Very low	215 Å²	215	130 Å²	130	84%	0.843	75%	0.752	S	S	*	*			trans	88.7	162.9	179.1	-73.9	-108.2	0	0	0	117.6
436	S	28.9	Very low	33.7	Very low	93 Å²	93	128.1 Å²	128.1	65%	0.65	75%	0.745	S	S	*	*			cis	-177.9	142.4	-43.8	-89.5	0	0	0	0	111.3
437	K	29.4	Very low	33.7	Very low	178 Å²	178	130.9 Å²	130.9	77%	0.774	75%	0.745	S	S	*	*			trans	63.7	124.3	150.2	-94	178.6	179.2	169.6	0	123.6
438	R	29.6	Very low	32.6	Very low	204 Å²	204	132.1 Å²	132.1	77%	0.77	74%	0.74	S	S	*	*				82.1	136.4	124	-95.6	-168.5	176	157.1	1.4	125.3
439	N	27	Very low	32.4	Very low	106 Å²	106	137 Å²	137	57%	0.567	74%	0.743	S	S	*	*				95.8	127.9	129.5	-89.9	27.1	0	0	0	123.1
440	Q	30	Very low	32.2	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.813	73%	0.732	S	S	*	*			trans	65.5	153.5	137.3	-74.1	168.4	-33.1	0	0	118.9
441	A	27.6	Very low	31	Very low	80 Å²	80	138.7 Å²	138.7	66%	0.661	73%	0.731	S	S	*	*			cis	-162	165.6	-10.8	0	0	0	0	0	111.9
442	L	28	Very low	29.3	Very low	167 Å²	167	143 Å²	143	87%	0.874	73%	0.733	S	S	*	*			trans	26.1	130.1	144.9	-59	167.9	0	0	0	123
443	S	26.4	Very low	28.9	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	73%	0.734	S	S	*	*				-169.8	134.1	129.5	-103.2	0	0	0	0	108.6
444	V	30.6	Very low	28.7	Very low	116 Å²	116	142.6 Å²	142.6	70%	0.703	73%	0.733	S	S	*	*				73.4	125.2	62.2	176.2	0	0	0	0	109.2
445	E	28.8	Very low	28.8	Very low	167 Å²	167	142.6 Å²	142.6	78%	0.78	74%	0.739	S	S	*	*			cis	-166	169.6	17.7	-140.6	160.8	-177.5	0	0	112.9
446	S	29.7	Very low	28.8	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	74%	0.743	S	S	*	*			trans	65.4	155.6	143.9	76.6	0	0	0	0	120.4
447	D	30	Very low	29	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	75%	0.748	S	S	*	*			cis	-160.7	173.9	-2.1	-141.4	-38.1	0	0	0	113.5
448	H	29.3	Very low	29	Very low	147 Å²	147	146.5 Å²	146.5	68%	0.681	74%	0.741	S	S	*	*			trans	74.9	126	159.5	-55.3	-24.3	0	0	0	118.9
449	R	28.8	Very low	28.9	Very low	204 Å²	204	143.7 Å²	143.7	77%	0.77	74%	0.736	S	S	*	*				71.6	140.1	55	-74.1	-177.7	164.4	-134.7	-6.7	112.7
450	E	31.5	Very low	29.2	Very low	129 Å²	129	145.5 Å²	145.5	60%	0.603	75%	0.745	S	S	*	*			cis	-153.5	142.2	4.8	-106.7	151.1	-169.3	0	0	106.7
451	E	27.4	Very low	29.2	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	73%	0.734	S	S	*	*				74.1	139	86.4	-163	164.9	-158.2	0	0	117.8
452	W	25.5	Very low	29.3	Very low	206 Å²	206	143.6 Å²	143.6	78%	0.78	74%	0.741	S	S	*	*			trans	121.6	134.6	151.7	-125.9	-69.6	0	0	0	121
453	D	27.6	Very low	29.6	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	73%	0.733	S	S	*	*			trans	-52	169.1	-173.3	-52.3	-42.5	0	0	0	120.4
454	G	27.8	Very low	29.9	Very low	81 Å²	81	144.7 Å²	144.7	84%	0.835	74%	0.737	S	S	*	*			trans	179.4	99.4	150.9	0	0	0	0	0	115.3
455	A	31.5	Very low	29.8	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	74%	0.735	S	S	*	*			trans	-92	156.6	-173.1	0	0	0	0	0	115.9
456	R	30.1	Very low	29.8	Very low	247 Å²	247	141.7 Å²	141.7	93%	0.932	74%	0.738	S	S	*	*			trans	153.1	153	136.8	-84.3	161.7	-171.6	-164.5	4.7	111.7
457	R	31.8	Very low	30.1	Very low	201 Å²	201	143.5 Å²	143.5	76%	0.758	74%	0.744	S	S	*	*			cis	174.6	156.4	-29.4	152.8	171.4	178.8	-169.5	-1.4	107.8
458	L	29.1	Very low	30.9	Very low	119 Å²	119	143.7 Å²	143.7	62%	0.623	75%	0.753	S	S	*	*			trans	80.3	140.5	169.1	-67.9	146.3	0	0	0	117.2
459	E	28.7	Very low	31.1	Very low	145 Å²	145	140.9 Å²	140.9	68%	0.678	75%	0.754	S	S	*	*			cis	-163.8	160.5	-13.2	-144.2	174.5	-145.3	0	0	113.9
460	L	32.5	Very low	31.4	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	76%	0.755	S	S	*	*			trans	53.3	146.8	147.3	-114.1	66.4	0	0	0	121.1
461	S	30.4	Very low	32.2	Very low	83 Å²	83	135.6 Å²	135.6	58%	0.58	76%	0.761	S	S	*	*			cis	-157	147.2	11.3	-31.2	0	0	0	0	112.8
462	T	30.2	Very low	32.4	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	77%	0.77	S	S	*	*			trans	36.2	142.9	135.1	57.6	0	0	0	0	122.4
463	S	33.8	Very low	32.4	Very low	99 Å²	99	130 Å²	130	69%	0.692	77%	0.767	S	S	*	*			cis	-169.5	150.4	11.7	39.5	0	0	0	0	113.8
464	K	32	Very low	32.4	Very low	200 Å²	200	129.5 Å²	129.5	87%	0.87	77%	0.768	S	S	*	*			trans	26.7	139.3	138	-50.1	-178	178.9	-175.2	0	118.8
465	G	29.1	Very low	32.5	Very low	64 Å²	64	133.9 Å²	133.9	66%	0.66	77%	0.767	S	S	*	*			cis	135.2	165.1	27.2	0	0	0	0	0	108.6
466	D	29	Very low	32.3	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	77%	0.771	S	S	*	*			cis	-157.6	-170	-5.1	-73.4	-53.9	0	0	0	109.2
467	V	36.1	Very low	32.3	Very low	137 Å²	137	138.1 Å²	138.1	83%	0.83	77%	0.771	S	S	*	*			trans	-97.9	172.4	179.3	-129.1	0	0	0	0	111.4
468	P	46.4	Very low	32.4	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	77%	0.773	S	S	*	*				-149.5	-153	54.6	40.2	-14.9	0	0	0	116
469	A	33.7	Very low	32.4	Very low	87 Å²	87	141.7 Å²	141.7	72%	0.719	79%	0.787	S	S	*	*			trans	-110.6	168.8	-158.2	0	0	0	0	0	117.3
470	S	34.4	Very low	32.5	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	79%	0.789	S	S	*	*			trans	34.7	147.7	145.2	-61.7	0	0	0	0	121.6
471	P	49.7	Very low	32.4	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	79%	0.793	S	S	*	*			cis	-157.1	179.1	46.5	42.9	-20.3	0	0	0	119.9
472	L	30.2	Very low	32.3	Very low	179 Å²	179	141.1 Å²	141.1	94%	0.937	81%	0.806	S	S	*	*			trans	46.8	131.3	147.4	-69.1	165	0	0	0	123.3
473	G	26.3	Very low	32.4	Very low	69 Å²	69	138.7 Å²	138.7	71%	0.711	80%	0.799	S	S	*	*			trans	147.1	115.1	135	0	0	0	0	0	121.2
474	V	28	Very low	32.1	Very low	130 Å²	130	141 Å²	141	79%	0.788	81%	0.809	S	S	*	*			trans	80.9	113.7	132.8	-178.3	0	0	0	0	122.4
475	Q	28.5	Very low	31.9	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	80%	0.796	S	S	*	*			trans	66	128.5	141.3	-71.5	173.6	-2	0	0	125.8
476	E	28.5	Very low	31.8	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	81%	0.809	S	S	*	*			trans	-10.2	140.8	143.9	-50.1	-173.8	120.6	0	0	119.9
477	R	30.5	Very low	31.7	Very low	245 Å²	245	139 Å²	139	93%	0.925	81%	0.812	S	S	*	*				-154	128.7	113.1	-139.8	167.6	-179.1	160.4	-0.2	115.6
478	K	33.7	Very low	31.2	Very low	187 Å²	187	136.2 Å²	136.2	81%	0.813	81%	0.811	S	S	*	*			trans	-63.6	139.1	166.8	-173.2	179.8	-170.8	174.5	0	111.2
479	K	29.8	Very low	30.4	Very low	209 Å²	209	135.7 Å²	135.7	91%	0.909	81%	0.81	S	S	*	*			trans	-144.7	131.7	157.9	-144.1	173.9	-173.2	-179	0	113.1
480	T	29.1	Very low	30.2	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	81%	0.811	S	S	*	*			trans	-98.9	148.9	-178.4	45.5	0	0	0	0	111.3
481	S	31.4	Very low	30	Very low	121 Å²	121	139.9 Å²	139.9	85%	0.846	81%	0.814	S	S	*	*			trans	-154.6	116.4	155.4	56.8	0	0	0	0	112
482	S	28.8	Very low	29.2	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	82%	0.817	S	S	*	*			trans	-82.7	171.4	159.5	58.5	0	0	0	0	109.2
483	A	31.6	Very low	29.2	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	82%	0.815	S	S	*	*			cis	-162.3	172.5	9	0	0	0	0	0	110.5
484	V	28.2	Very low	29.2	Very low	146 Å²	146	150.3 Å²	150.3	89%	0.885	82%	0.815	S	S	*	*			trans	63.7	137.7	161.7	-164	0	0	0	0	117.1
485	G	26.7	Very low	29.3	Very low	59 Å²	59	149.5 Å²	149.5	61%	0.608	81%	0.81	S	S	*	*			cis	141.8	115.6	-6.8	0	0	0	0	0	112.7
486	T	26.8	Very low	29.3	Very low	151 Å²	151	151.2 Å²	151.2	93%	0.926	81%	0.811	S	S	*	*			trans	-171.8	164.5	158.8	6.7	0	0	0	0	113.1
487	N	27.7	Very low	29.4	Very low	170 Å²	170	148.1 Å²	148.1	91%	0.909	81%	0.805	S	S	*	*			trans	-70.1	149.7	-165.6	-66.9	-38.2	0	0	0	116.3
488	G	26.3	Very low	29.2	Very low	78 Å²	78	142.2 Å²	142.2	80%	0.804	80%	0.799	S	S	*	*			trans	-162.5	94.6	167.5	0	0	0	0	0	112.3
489	S	28.3	Very low	28.8	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	80%	0.8	S	S	*	*			trans	-71.4	128.3	175.9	179.8	0	0	0	0	111.4
490	M	29	Very low	28.9	Very low	151 Å²	151	142.7 Å²	142.7	74%	0.744	80%	0.798	S	S	*	*			trans	-151.5	102.8	159.3	-115.6	-173.7	-157.6	0	0	112.6
491	T	30.3	Very low	28.8	Very low	136 Å²	136	143.4 Å²	143.4	83%	0.834	80%	0.802	S	S	*	*			trans	-67.7	128.7	162.6	42.9	0	0	0	0	109.8
492	R	34.1	Very low	28.9	Very low	210 Å²	210	143 Å²	143	79%	0.792	80%	0.799	S	S	*	*			trans	-129.6	129.2	168.7	-72.2	-163.5	177.6	-147.4	0.1	112.3
493	R	29.5	Very low	28.9	Very low	235 Å²	235	143 Å²	143	89%	0.887	79%	0.794	S	S	*	*			trans	-81.7	138.1	177.4	-59.7	169.2	172.7	114.7	-2.8	109
494	N	26.9	Very low	28.8	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	80%	0.799	S	S	*	*			trans	-114.7	93.4	164.1	-83.5	-6.8	0	0	0	110
495	T	30.3	Very low	29	Very low	113 Å²	113	150 Å²	150	69%	0.693	80%	0.798	S	S	*	*			trans	-120.6	109.2	159.1	-57.7	0	0	0	0	106.3	V497	T495-V497 PolarHBondContact O-N 3.39Å
496	Y	29.1	Very low	29.3	Very low	210 Å²	210	157 Å²	157	82%	0.824	81%	0.808	S	S	*	*			trans	-76.2	104.9	177.5	-73.3	-83.7	0	0	0	110.1
497	V	29.8	Very low	29.4	Very low	120 Å²	120	155.1 Å²	155.1	73%	0.727	80%	0.801	S	S	*	*			trans	-105.5	121.3	157.8	179	0	0	0	0	106.4	T495 E499	T495-V497 PolarHBondContact O-N 3.39Å; V497-E499 HydrophobicContact CG1-CG 4.43Å; V497-E499 PolarHBondContact O-N 2.91Å
498	C	26.5	Very low	29.5	Very low	120 Å²	120	150.8 Å²	150.8	81%	0.811	79%	0.789	S	S	*	*			trans	-92.1	87.8	175.8	-172.7	0	0	0	0	109.1
499	E	25.7	Very low	29.8	Very low	177 Å²	177	154.8 Å²	154.8	83%	0.827	79%	0.79	S	S	*	*			trans	-76.2	133.9	156.2	-71.8	-171.3	145	0	0	108.6	V497	V497-E499 HydrophobicContact CG1-CG 4.43Å; V497-E499 PolarHBondContact O-N 2.91Å
500	R	30.4	Very low	30.6	Very low	229 Å²	229	154.4 Å²	154.4	86%	0.864	78%	0.784	S	S	*	*			trans	-125.8	92.3	174.9	-163.6	177.2	-167.9	-173.7	2.3	108.6
501	T	27.6	Very low	30.6	Very low	133 Å²	133	155.3 Å²	155.3	82%	0.816	79%	0.792	S	S	*	*			trans	-62.6	139.9	166	42.2	0	0	0	0	109.6
502	S	32.8	Very low	30.6	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	78%	0.782	S	S	*	*			trans	-107.8	104.9	-175.2	51.9	0	0	0	0	110.8
503	T	30.3	Very low	30.4	Very low	120 Å²	120	150.5 Å²	150.5	74%	0.736	78%	0.783	S	S	*	*			trans	-154.5	139.2	160.9	11.9	0	0	0	0	112.8
504	D	29.4	Very low	30.4	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	77%	0.769	S	S	*	*			trans	67	114.7	149.9	-52	-25.7	0	0	0	123.2
505	R	32.4	Very low	30.6	Very low	232 Å²	232	143.5 Å²	143.5	88%	0.875	77%	0.772	S	S	*	*				-169.7	144.2	121.6	-68.8	-144.7	-179.4	169.4	0.5	108.3
506	Y	31.8	Very low	30.6	Very low	206 Å²	206	142.3 Å²	142.3	81%	0.808	77%	0.768	S	S	*	*			cis	-166.9	168.6	-12.4	-130	-92.5	0	0	0	109.2
507	S	29.6	Very low	30.7	Very low	111 Å²	111	140 Å²	140	78%	0.776	77%	0.768	S	S	*	*			trans	104.5	143.8	158.5	79.4	0	0	0	0	119.2
508	A	29.7	Very low	30.8	Very low	80 Å²	80	139.3 Å²	139.3	66%	0.661	77%	0.765	S	S	*	*			cis	-172.3	142.3	-28.6	0	0	0	0	0	110.9
509	I	32.7	Very low	31	Very low	162 Å²	162	141.5 Å²	141.5	83%	0.831	76%	0.763	S	S	*	*			trans	71	138.7	154.5	-64	169.9	0	0	0	117.8
510	P	45.5	Very low	31.3	Very low	108 Å²	108	138.4 Å²	138.4	70%	0.701	76%	0.756	S	S	*	*			cis	-142.5	-176.8	-33.3	40.5	-20.2	0	0	0	115.7
511	N	28.5	Very low	31.2	Very low	170 Å²	170	132.9 Å²	132.9	91%	0.909	75%	0.753	S	S	*	*			trans	85.3	127.2	141.9	-133.9	19.8	0	0	0	121.4
512	G	29.4	Very low	31.1	Very low	60 Å²	60	130.1 Å²	130.1	62%	0.619	75%	0.751	S	S	*	*			trans	127.3	81.8	142.8	0	0	0	0	0	119
513	K	31	Very low	31	Very low	186 Å²	186	130.3 Å²	130.3	81%	0.809	75%	0.752	S	S	*	*			trans	64.3	154	140.5	-68.5	-174	147.3	-139.7	0	119
514	D	29.1	Very low	30.9	Very low	112 Å²	112	130.6 Å²	130.6	60%	0.599	75%	0.754	S	S	*	*			cis	-153	160	-6.9	-106.8	-26.3	0	0	0	107.3
515	S	30.3	Very low	31.7	Very low	109 Å²	109	129 Å²	129	76%	0.762	75%	0.751	S	S	*	*			trans	55.6	141.4	152.7	-57.7	0	0	0	0	120.9
516	S	30.9	Very low	31.6	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	74%	0.744	S	S	*	*			cis	162.8	127.1	-15.3	49.1	0	0	0	0	105.2
517	L	31.3	Very low	31.6	Very low	160 Å²	160	119.2 Å²	119.2	84%	0.838	74%	0.743	S	S	*	*			trans	60.5	160.2	151.1	-56.3	168.7	0	0	0	116.5
518	T	32.3	Very low	31.6	Very low	106 Å²	106	117.8 Å²	117.8	65%	0.65	74%	0.738	S	S	*	*			cis	-154.1	142.9	12	-8.5	0	0	0	0	109.1
519	E	30.2	Very low	31.7	Very low	166 Å²	166	122.2 Å²	122.2	78%	0.776	75%	0.75	S	S	*	*			trans	65.1	124.9	130.8	-72.8	-166.5	154.3	0	0	122.8
520	V	32.3	Very low	31.4	Very low	113 Å²	113	119.2 Å²	119.2	69%	0.685	74%	0.743	S	S	*	*				92.4	102.4	97.5	166.7	0	0	0	0	110.8
521	S	27.7	Very low	30.6	Very low	113 Å²	113	118.3 Å²	118.3	79%	0.79	74%	0.739	S	S	*	*				89.3	134.9	72.5	-67.4	0	0	0	0	113.2
522	G	26	Very low	30.7	Very low	75 Å²	75	116.3 Å²	116.3	77%	0.773	73%	0.733	S	S	*	*			trans	81.5	147.9	171.8	0	0	0	0	0	114.3
523	S	30.1	Very low	31	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	75%	0.746	S	S	*	*			cis	-163	157.9	-9.7	40.3	0	0	0	0	110.7
524	T	29.4	Very low	31.7	Very low	126 Å²	126	120.8 Å²	120.8	77%	0.773	74%	0.74	S	S	*	*			trans	-46.8	166.9	157.2	48.9	0	0	0	0	113.1
525	P	45	Very low	31.8	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	75%	0.75	S	S	*	*			cis	-140.3	176.7	20.7	27.6	-2	0	0	0	117.9
526	S	30.1	Very low	32.2	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	75%	0.746	S	S	*	*			trans	13.6	140.1	137.6	-39.4	0	0	0	0	119
527	T	31.8	Very low	32.2	Very low	131 Å²	131	128.2 Å²	128.2	80%	0.804	75%	0.748	S	S	*	*				-174.9	169.2	62.8	37.2	0	0	0	0	112.9
528	A	31.1	Very low	32.2	Very low	81 Å²	81	129.9 Å²	129.9	67%	0.669	75%	0.748	S	S	*	*			trans	70.8	125.3	157.6	0	0	0	0	0	117.3
529	L	30.2	Very low	32.4	Very low	172 Å²	172	129.5 Å²	129.5	90%	0.901	75%	0.75	S	S	*	*				59.9	126.4	69.2	-58.6	167.5	0	0	0	111.1
530	S	28.4	Very low	32.4	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	75%	0.752	S	S	*	*			cis	-161.4	158.7	13	-178.5	0	0	0	0	112.5
531	S	28	Very low	32.6	Very low	89 Å²	89	129.3 Å²	129.3	62%	0.622	76%	0.755	S	S	*	*			trans	47.7	119.1	144.4	61.3	0	0	0	0	123
532	T	29.6	Very low	33	Very low	128 Å²	128	128 Å²	128	79%	0.785	75%	0.751	S	S	*	*			trans	64.7	117.1	131.1	60	0	0	0	0	122
533	R	36	Very low	33.5	Very low	236 Å²	236	130.3 Å²	130.3	89%	0.891	76%	0.756	S	S	*	*				29.3	144.9	115	-120.7	-171	177.2	-172.4	0.9	117.4
534	P	46.3	Very low	33.5	Very low	105 Å²	105	128.4 Å²	128.4	68%	0.682	75%	0.754	S	S	*	*			cis	-160.7	179.3	28.3	46.3	-24.3	0	0	0	120.8
535	R	31.9	Very low	33.8	Very low	213 Å²	213	131.2 Å²	131.2	80%	0.804	76%	0.758	S	S	*	*			trans	78.1	151.3	137.6	-134.4	173	-173.2	178.7	3.7	122.8
536	H	37	Very low	34.2	Very low	146 Å²	146	131.6 Å²	131.6	68%	0.676	76%	0.761	S	S	*	*			trans	75.9	143.4	166.6	-64.4	-79.6	0	0	0	117.4
537	T	30.8	Very low	34.3	Very low	106 Å²	106	130.8 Å²	130.8	65%	0.65	76%	0.755	S	S	*	*			cis	-168.8	158.9	-7.1	14.1	0	0	0	0	113.2
538	K	32.4	Very low	34.3	Very low	195 Å²	195	133.9 Å²	133.9	85%	0.848	76%	0.757	S	S	*	*			trans	65	157.4	157.4	-68.4	171.3	178.7	-179.7	0	117.1
539	S	35.7	Very low	34.4	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	76%	0.755	S	S	*	*			cis	-166.5	142.9	-28.1	-76.2	0	0	0	0	105.6
540	M	31.5	Very low	34.5	Very low	166 Å²	166	131.7 Å²	131.7	82%	0.818	75%	0.747	S	S	*	*				170.4	144.9	88.7	-86.2	-72.3	-83.2	0	0	109.5
541	S	36.4	Very low	35	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	75%	0.753	S	S	*	*			trans	26.8	148.6	147.3	-48.5	0	0	0	0	122.8
542	A	35.7	Very low	36.2	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	76%	0.758	S	S	*	*			cis	-156.2	157.8	29.5	0	0	0	0	0	116.2
543	S	35.4	Very low	37.4	Very low	125 Å²	125	134.4 Å²	134.4	87%	0.874	75%	0.752	S	S	*	*			trans	44.1	133.4	148.7	58	0	0	0	0	121.8
544	G	30.8	Very low	37.6	Very low	76 Å²	76	130.5 Å²	130.5	78%	0.784	75%	0.748	S	S	*	*			cis	-169.1	162.7	4.2	0	0	0	0	0	114.2
545	H	36	Very low	37.2	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.856	75%	0.753	S	S	*	*			trans	-92.8	-170.9	-175.6	-83.9	-60.3	0	0	0	112.2
546	P	53	Low	37.3	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	75%	0.753	S	S	*	*			cis	-129.6	-170.1	-2.6	14.3	13.6	0	0	0	113.4
547	S	32	Very low	37.3	Very low	85 Å²	85	128.9 Å²	128.9	59%	0.594	75%	0.754	S	S	*	*			cis	166.4	136.9	-37.5	71.8	0	0	0	0	109
548	K	32.8	Very low	37.5	Very low	196 Å²	196	130.1 Å²	130.1	85%	0.852	76%	0.762	S	S	*	*			trans	67.3	154.6	135.3	-73.2	-178	177	-176.6	0	120.4
549	S	31.9	Very low	37.6	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	76%	0.758	S	S	*	*			cis	-172.9	158.2	-10.7	46.3	0	0	0	0	114
550	T	32.3	Very low	37.4	Very low	117 Å²	117	129.9 Å²	129.9	72%	0.718	76%	0.756	S	S	*	*			trans	59.8	111.6	145.7	46	0	0	0	0	123.6
551	L	38.7	Very low	37.3	Very low	158 Å²	158	131 Å²	131	83%	0.827	76%	0.757	S	S	*	*				37.7	158	119.2	-59.1	169.8	0	0	0	122
552	P	54.7	Low	36.9	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	75%	0.752	S	S	*	*			cis	-134.3	-124.9	-41.7	40.5	-19.8	0	0	0	110.4
553	P	54.8	Low	36.6	Very low	102 Å²	102	131.6 Å²	131.6	66%	0.662	76%	0.76	S	S	*	*				-129.7	-168.1	-51.8	43.6	-26.8	0	0	0	115.9
554	I	38.6	Very low	36.5	Very low	155 Å²	155	130.6 Å²	130.6	80%	0.795	75%	0.754	S	S	*	*			trans	85	149.2	156	-65.6	167.1	0	0	0	121.1
555	D	38.9	Very low	36.7	Very low	148 Å²	148	132.3 Å²	132.3	79%	0.791	75%	0.754	S	S	*	*			trans	-81.4	167.9	-164.3	-44.1	-91.1	0	0	0	118.7
556	D	34.1	Very low	37.1	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	75%	0.747	S	S	*	*				-172.5	175.2	111.8	-141.7	-24.6	0	0	0	114.3
557	N	37.1	Very low	36.1	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	75%	0.753	S	S	*	*			trans	-80.1	160.1	-164.8	-73.4	-85.8	0	0	0	118.3
558	T	34.3	Very low	36.2	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	76%	0.764	S	S	*	*				168.2	131.6	107.9	36.6	0	0	0	0	117.7
559	E	34.8	Very low	36.8	Very low	165 Å²	165	134.5 Å²	134.5	77%	0.771	76%	0.763	S	S	*	*			trans	64.5	126.6	134.9	-72.7	-153.1	127	0	0	128.8
560	L	31.8	Very low	37	Very low	123 Å²	123	135 Å²	135	64%	0.644	77%	0.766	S	S	*	*				94.7	129.2	126.4	-75.9	169.7	0	0	0	125.2
561	K	29	Very low	36.8	Very low	190 Å²	190	137.1 Å²	137.1	83%	0.826	77%	0.773	S	S	*	*			trans	69.8	161.3	151.6	-70.9	171.5	-179.1	171.8	0	119.7
562	A	28.7	Very low	36.7	Very low	79 Å²	79	134.9 Å²	134.9	65%	0.653	77%	0.771	S	S	*	*			cis	177	147.9	-39.3	0	0	0	0	0	108.5
563	S	29	Very low	36.3	Very low	126 Å²	126	135.4 Å²	135.4	88%	0.881	77%	0.774	S	S	*	*			trans	64.4	162.2	171.2	82.2	0	0	0	0	115.5
564	S	32.8	Very low	35.2	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	78%	0.777	S	S	*	*			cis	-154.7	153	-2	46.4	0	0	0	0	109.7
565	S	35.4	Very low	35	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	77%	0.767	S	S	*	*			trans	-70.8	159	163.5	50.2	0	0	0	0	111.4
566	P	43.9	Very low	34.8	Very low	110 Å²	110	134.9 Å²	134.9	71%	0.714	77%	0.772	S	S	*	*				-152.5	146.6	100.2	37.6	-19.5	0	0	0	118
567	R	32.4	Very low	34.7	Very low	238 Å²	238	132.7 Å²	132.7	90%	0.898	77%	0.769	S	S	*	*			trans	47.4	134.5	134.2	-60.2	-179.2	178.9	170.8	0.1	123.1
568	D	34.4	Very low	34.4	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	78%	0.776	S	S	*	*			trans	-45.3	160.7	156.2	-53.1	-74.9	0	0	0	114.6
569	P	45.9	Very low	34.1	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	77%	0.773	S	S	*	*				-141.6	167.8	85	37.6	-21.8	0	0	0	116.9
570	S	34.8	Very low	34.1	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	77%	0.774	S	S	*	*			trans	-62	146.7	174.6	52.7	0	0	0	0	116.2
571	N	29.1	Very low	34.9	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	78%	0.78	S	S	*	*				-177	146.4	123.1	-93.9	-17.1	0	0	0	113.3
572	S	36	Very low	35.1	Very low	112 Å²	112	128.6 Å²	128.6	78%	0.783	77%	0.77	S	S	*	*			trans	-89.2	163.6	162.1	-45.6	0	0	0	0	109.9
573	P	45.8	Very low	35.4	Very low	124 Å²	124	132 Å²	132	81%	0.805	77%	0.77	S	S	*	*				-149.1	-172.6	81.3	37.8	-17	0	0	0	116.2
574	S	32.4	Very low	35.5	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	76%	0.762	S	S	*	*			trans	-64.3	178.3	176.2	44.7	0	0	0	0	114
575	V	34.5	Very low	35.6	Very low	97 Å²	97	138.6 Å²	138.6	59%	0.588	77%	0.77	S	S	*	*				-168.3	145	51.4	176.9	0	0	0	0	111.3
576	H	34.8	Very low	35.6	Very low	194 Å²	194	143 Å²	143	90%	0.898	78%	0.775	S	S	*	*				-174.5	153.4	126.6	-91.2	-38.4	0	0	0	113.4
577	S	31	Very low	35.7	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	78%	0.779	S	S	*	*			trans	-140.1	160.5	-155.6	-48.8	0	0	0	0	112.5
578	I	30.5	Very low	35.8	Very low	167 Å²	167	144.5 Å²	144.5	86%	0.856	78%	0.783	S	S	*	*			trans	174.8	135.4	156.7	-92.8	147.1	0	0	0	105.2
579	S	30	Very low	35.5	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	78%	0.778	S	S	*	*			cis	-159.1	165.3	-4.1	44.8	0	0	0	0	110
580	T	33.5	Very low	34.7	Very low	127 Å²	127	140.9 Å²	140.9	78%	0.779	78%	0.778	S	S	*	*			trans	-134.2	154.8	172.7	58.7	0	0	0	0	110.8
581	P	49.9	Very low	34.4	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	78%	0.782	S	S	*	*				-149.2	180	97.7	33.1	-12.9	0	0	0	115
582	E	31.8	Very low	34.5	Very low	132 Å²	132	139.2 Å²	139.2	62%	0.617	77%	0.774	S	S	*	*			cis	-164.8	150.5	-37.5	-99.4	-155.6	157.3	0	0	112
583	K	36.2	Very low	34.3	Very low	150 Å²	150	145.1 Å²	145.1	65%	0.652	78%	0.779	S	S	*	*			trans	52.7	149	141	-62.1	179.7	-168.7	141.7	0	121.7
584	N	31.4	Very low	33.6	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	78%	0.777	S	S	*	*			cis	-151.6	133.2	36.2	-96.8	-47.1	0	0	0	111.5
585	R	33.5	Very low	33.5	Very low	240 Å²	240	146.4 Å²	146.4	91%	0.906	79%	0.785	S	S	*	*				83	134.7	92.8	-86.2	-173.3	172.7	-173.6	-0.2	118.8
586	F	35.6	Very low	33.2	Very low	205 Å²	205	150.2 Å²	150.2	90%	0.899	79%	0.794	S	S	*	*			trans	-102.4	168.1	-179.7	-79.9	-86.4	0	0	0	112.9
587	P	46.9	Very low	33.1	Very low	123 Å²	123	149 Å²	149	80%	0.799	79%	0.789	S	S	*	*				-157.8	155.1	91.1	39.7	-18.4	0	0	0	121
588	R	33	Very low	33	Very low	257 Å²	257	147.8 Å²	147.8	97%	0.97	79%	0.792	S	S	*	*			trans	19.8	142.3	148	-78.3	178.8	166.7	159.7	-4.3	126.3
589	G	30.1	Very low	32.9	Very low	70 Å²	70	144.9 Å²	144.9	72%	0.722	79%	0.793	S	S	*	*			trans	109.8	149.5	146.4	0	0	0	0	0	116.1
590	T	28.8	Very low	33	Very low	134 Å²	134	147.8 Å²	147.8	82%	0.822	79%	0.794	S	S	*	*			cis	-164.2	148.5	-7.3	23.9	0	0	0	0	111.1
591	T	28.8	Very low	32.9	Very low	126 Å²	126	150.2 Å²	150.2	77%	0.773	80%	0.802	S	S	*	*			trans	38.8	139.5	149.6	-15.9	0	0	0	0	125.2
592	S	29.8	Very low	32.1	Very low	101 Å²	101	154.3 Å²	154.3	71%	0.706	80%	0.802	S	S	*	*			trans	102.6	117.8	138.8	-73.2	0	0	0	0	123.8
593	R	31.2	Very low	32	Very low	235 Å²	235	155.4 Å²	155.4	89%	0.887	81%	0.811	S	S	*	*			trans	56.3	114	134.9	-72.9	-174.5	166.2	-166.1	-3.2	123.1
594	S	32.9	Very low	31.7	Very low	109 Å²	109	158.6 Å²	158.6	76%	0.762	82%	0.819	S	S	*	*				8.4	132.4	125.4	-174.9	0	0	0	0	120.1
595	T	29.8	Very low	31.8	Very low	146 Å²	146	163.5 Å²	163.5	90%	0.896	83%	0.828	S	S	*	*			trans	-158.2	174.5	130.9	7.7	0	0	0	0	111.9
596	F	28.1	Very low	31.6	Very low	177 Å²	177	157.1 Å²	157.1	78%	0.776	82%	0.821	S	S	*	*			trans	-118	-179.3	-155	-150	-102.9	0	0	0	113
597	H	33	Very low	31.5	Very low	169 Å²	169	151.8 Å²	151.8	78%	0.782	81%	0.814	S	S	*	*			trans	78.4	136	176.6	-51.5	-74.2	0	0	0	116.2
598	G	28.7	Very low	30.7	Very low	76 Å²	76	152.8 Å²	152.8	78%	0.784	82%	0.818	S	S	*	*			cis	106	104.3	-6.8	0	0	0	0	0	114.6
599	A	27.8	Very low	30.5	Very low	106 Å²	106	149.9 Å²	149.9	88%	0.876	81%	0.809	S	S	*	*			trans	-148.8	124.1	164.4	0	0	0	0	0	110.7
600	Q	33.3	Very low	30.5	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	81%	0.812	S	S	*	*			trans	-89.7	159.3	160.3	-67	175.9	-51.6	0	0	108.7
601	L	29.7	Very low	30.8	Very low	179 Å²	179	150 Å²	150	94%	0.937	80%	0.801	S	S	*	*			trans	-130.9	138.1	140.1	-105.8	168	0	0	0	110.3
602	R	34.3	Very low	31.7	Very low	207 Å²	207	149.9 Å²	149.9	78%	0.781	80%	0.802	S	S	*	*			trans	-98.9	168.9	175.8	-83.2	171.4	151.4	161.3	-8	108.8
603	D	28.2	Very low	32.9	Very low	154 Å²	154	151 Å²	151	82%	0.824	81%	0.807	S	S	*	*			trans	-123.7	160.6	140.1	-135.4	-33.9	0	0	0	113
604	R	31.7	Very low	32.9	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	80%	0.799	S	S	*	*			trans	-102.8	158.2	-169.6	-68.4	164.5	125.5	-179.5	-2	111.4
605	R	31.7	Very low	33	Very low	233 Å²	233	144.2 Å²	144.2	88%	0.879	80%	0.801	S	S	*	*				169.9	171.8	86.2	-74.5	174.9	-156.6	-150.3	4.1	106.8
606	S	30.2	Very low	33.9	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	80%	0.798	S	S	*	*			cis	-170.3	122.6	-32.3	-81.7	0	0	0	0	105.4
607	A	32.5	Very low	33.9	Very low	92 Å²	92	141 Å²	141	76%	0.76	80%	0.798	S	S	*	*				95.8	113.4	69.7	0	0	0	0	0	115.3
608	T	31	Very low	33.9	Very low	145 Å²	145	140.5 Å²	140.5	89%	0.89	80%	0.801	S	S	*	*			trans	-176.3	109.8	154.2	24.9	0	0	0	0	106.5
609	Y	28.3	Very low	34	Very low	195 Å²	195	141.3 Å²	141.3	77%	0.765	80%	0.795	S	S	*	*				83.5	99.8	51.8	-159.6	-87.5	0	0	0	115.2
610	N	31.4	Very low	34.3	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	79%	0.79	S	S	*	*			trans	-176	129.2	131.2	-99.6	-29.4	0	0	0	113.8
611	G	34.4	Very low	34.1	Very low	57 Å²	57	142.4 Å²	142.4	59%	0.588	79%	0.785	S	S	*	*			trans	-147.6	-161.1	157.5	0	0	0	0	0	105.8
612	P	46.8	Very low	34.2	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	78%	0.781	S	S	*	*			cis	-133.3	-130.5	2.1	38	-13.1	0	0	0	108.8
613	P	55.2	Low	34	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	78%	0.777	S	S	*	*			cis	-129.9	-166.8	-26.8	34.2	-12.3	0	0	0	114.5
614	A	32.8	Very low	34.2	Very low	86 Å²	86	131.2 Å²	131.2	71%	0.711	78%	0.777	S	S	*	*			trans	-114.4	159.3	179.1	0	0	0	0	0	113.8
615	S	35.2	Very low	34.2	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	78%	0.779	S	S	*	*			trans	51.1	143	153.8	-54.7	0	0	0	0	121.9
616	P	48	Very low	34.2	Very low	128 Å²	128	121.2 Å²	121.2	83%	0.831	77%	0.767	S	S	*	*			trans	-127.2	160.9	152.2	37.8	-26.5	0	0	0	114.8
617	T	28.8	Very low	34.6	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	77%	0.766	S	S	*	*			trans	-136.7	146.5	172.3	44.4	0	0	0	0	111.4
618	L	31.7	Very low	34.8	Very low	158 Å²	158	125.9 Å²	125.9	83%	0.827	76%	0.761	S	S	*	*			trans	78.7	128.4	150.5	-79.5	157	0	0	0	122.8
619	S	31.9	Very low	34.9	Very low	94 Å²	94	129 Å²	129	66%	0.657	76%	0.757	S	S	*	*			trans	78.1	119	131.1	60.7	0	0	0	0	125.2
620	H	32.4	Very low	35.2	Very low	167 Å²	167	131.2 Å²	131.2	77%	0.773	76%	0.763	S	S	*	*			trans	68	121.3	132	-77.1	-80.6	0	0	0	124.5
621	D	29.7	Very low	35.4	Very low	130 Å²	130	127.4 Å²	127.4	70%	0.695	76%	0.76	S	S	*	*			trans	56	145.8	132	-66.9	-35.7	0	0	0	121.5
622	T	31.6	Very low	35.4	Very low	139 Å²	139	131 Å²	131	85%	0.853	77%	0.77	S	S	*	*			cis	-162.6	161.7	15.1	4.4	0	0	0	0	111.4
623	G	30.2	Very low	34.9	Very low	68 Å²	68	130 Å²	130	70%	0.701	77%	0.766	S	S	*	*			trans	129	105.8	145.4	0	0	0	0	0	119.7
624	A	33	Very low	33.9	Very low	99 Å²	99	130.1 Å²	130.1	82%	0.818	77%	0.765	S	S	*	*			trans	65.4	166	161.6	0	0	0	0	0	116.2
625	L	32.1	Very low	33.8	Very low	164 Å²	164	129 Å²	129	86%	0.859	76%	0.762	S	S	*	*			cis	-158.9	165.8	-22.3	-108.4	171.1	0	0	0	105.3
626	A	32	Very low	34	Very low	76 Å²	76	130.9 Å²	130.9	63%	0.628	76%	0.762	S	S	*	*			cis	-149.3	-141.9	9.7	0	0	0	0	0	111.8
627	Q	37.5	Very low	33.5	Very low	156 Å²	156	132 Å²	132	73%	0.729	76%	0.759	S	S	*	*			trans	-59.8	153.2	173.8	-79.4	88.2	-17.5	0	0	114.7
628	Q	36.4	Very low	33.6	Very low	141 Å²	141	130.8 Å²	130.8	66%	0.659	76%	0.756	S	S	*	*			cis	-159.3	-177.6	-5.8	-115	172.7	38.9	0	0	107.2
629	R	33.5	Very low	33.7	Very low	210 Å²	210	131.9 Å²	131.9	79%	0.792	75%	0.754	S	S	*	*			cis	-154.6	-155.9	21	-142.4	166.1	-139	-162.7	4.2	111.8
630	R	34.8	Very low	34.1	Very low	241 Å²	241	134.3 Å²	134.3	91%	0.909	76%	0.758	S	S	*	*			trans	-62	144.4	176.1	-59.5	165.8	-179.5	175.7	-1.9	111.6
631	G	34.8	Very low	33.9	Very low	70 Å²	70	132.7 Å²	132.7	72%	0.722	76%	0.76	S	S	*	*			cis	115.7	141.5	35.1	0	0	0	0	0	107.6
632	T	36.1	Very low	34	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	76%	0.759	S	S	*	*			cis	-163.2	128.3	17.7	31.9	0	0	0	0	107.9
633	S	36.3	Very low	34.1	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	76%	0.757	S	S	*	*				57.4	146.1	103.5	78.6	0	0	0	0	116.4
634	T	33.9	Very low	34	Very low	128 Å²	128	139 Å²	139	79%	0.785	76%	0.762	S	S	*	*			cis	-156.5	165.1	31.9	40.7	0	0	0	0	112.3
635	G	30.7	Very low	33.7	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	76%	0.761	S	S	*	*			trans	-116.1	-144	161	0	0	0	0	0	112.7
636	I	39.3	Very low	33.9	Very low	154 Å²	154	143.7 Å²	143.7	79%	0.79	76%	0.762	S	S	*	*			trans	102.2	96.9	160.3	-50.8	160.2	0	0	0	118.1
637	I	36.1	Very low	33.7	Very low	152 Å²	152	151.2 Å²	151.2	78%	0.779	77%	0.774	S	S	*	*				17.9	128.8	125.3	-43	170.2	0	0	0	119
638	S	31.2	Very low	33.5	Very low	101 Å²	101	150.3 Å²	150.3	71%	0.706	78%	0.779	S	S	*	*				166.2	124.7	121.8	-78	0	0	0	0	118.8
639	K	34.5	Very low	33.8	Very low	181 Å²	181	149.5 Å²	149.5	79%	0.787	79%	0.786	S	S	*	*			trans	54.1	114.2	132.5	-63.2	-180	178.1	174.2	0	124.7
640	I	39	Very low	33.6	Very low	146 Å²	146	143.7 Å²	143.7	75%	0.749	78%	0.777	S	S	*	*				59.7	125.7	119.8	-54.6	161.7	0	0	0	121.5
641	T	29	Very low	33.4	Very low	133 Å²	133	140.8 Å²	140.8	82%	0.816	77%	0.774	S	S	*	*			trans	153.8	163.4	135.3	41.7	0	0	0	0	109.3
642	S	31.5	Very low	33.1	Very low	97 Å²	97	141 Å²	141	68%	0.678	78%	0.776	S	S	*	*			cis	-164.1	140	-43.5	60.7	0	0	0	0	111.1
643	K	33.8	Very low	32.7	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	78%	0.782	S	S	*	*			trans	62.1	123.2	147.9	-72.3	-167.2	175.4	-176	0	123
644	F	27.5	Very low	32.5	Very low	187 Å²	187	143.4 Å²	143.4	82%	0.82	78%	0.781	S	S	*	*				97.8	147.8	124.9	-99.6	-104.6	0	0	0	124.1
645	V	28.3	Very low	32.3	Very low	130 Å²	130	143 Å²	143	79%	0.788	78%	0.784	S	S	*	*			trans	95.4	133.5	163.4	-163.4	0	0	0	0	118.9
646	R	36	Very low	32.3	Very low	232 Å²	232	143.9 Å²	143.9	88%	0.875	78%	0.784	S	S	*	*			trans	-103.8	140.8	-170.5	165.2	-159.5	-74.5	170	-8.9	110.7
647	R	28.4	Very low	31.9	Very low	235 Å²	235	147.9 Å²	147.9	89%	0.887	79%	0.79	S	S	*	*			trans	-150.4	145.9	155.8	-75.6	-160.8	-175.8	94.8	-0.2	112.6
648	V	32.6	Very low	31.6	Very low	136 Å²	136	146.5 Å²	146.5	82%	0.824	79%	0.789	S	S	*	*			trans	-146.9	126.4	166.7	171.8	0	0	0	0	104.4
649	P	41.8	Very low	31.4	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	80%	0.796	S	S	*	*				-141.4	-172.4	93.6	18.8	6.1	0	0	0	112.5
650	S	29.8	Very low	31	Very low	88 Å²	88	148 Å²	148	62%	0.615	80%	0.796	S	S	*	*			cis	-163.2	170	-35.2	-166	0	0	0	0	107.8
651	E	30.6	Very low	31	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	79%	0.794	S	S	*	*			trans	57.9	144.5	150.8	-84	147.6	-115.9	0	0	124.8
652	G	28.5	Very low	31	Very low	73 Å²	73	151.3 Å²	151.3	75%	0.753	80%	0.798	S	S	*	*			trans	86	140.6	158.4	0	0	0	0	0	117.3
653	E	29	Very low	30.9	Very low	200 Å²	200	153 Å²	153	94%	0.935	81%	0.81	S	S	*	*			cis	-160.3	-177.3	-11.9	-137.3	-179.7	162.4	0	0	111.1
654	A	30.8	Very low	30.7	Very low	85 Å²	85	149.2 Å²	149.2	70%	0.702	81%	0.813	S	S	*	*			trans	-78.8	174	-155.9	0	0	0	0	0	120.7
655	S	29.3	Very low	30.9	Very low	121 Å²	121	146 Å²	146	85%	0.846	81%	0.814	S	S	*	*			trans	74.1	147.4	150.1	-81.5	0	0	0	0	120.1
656	A	30.6	Very low	30.8	Very low	81 Å²	81	143.6 Å²	143.6	67%	0.669	82%	0.816	S	S	*	*			cis	-161.1	159.7	-8.2	0	0	0	0	0	112.1
657	R	30.7	Very low	30.5	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	82%	0.816	S	S	*	*			trans	35.1	136.7	150	-64.6	175.6	176.3	166.1	-1.7	119.2
658	T	29.8	Very low	30.6	Very low	123 Å²	123	136.2 Å²	136.2	76%	0.755	82%	0.816	S	S	*	*				-167.2	127.5	71.6	-57.8	0	0	0	0	113.1
659	E	27	Very low	31	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	81%	0.814	S	S	*	*			trans	50.9	148.2	149.1	-57.9	-174	169.4	0	0	126.2
660	T	26.6	Very low	30.8	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	81%	0.813	S	S	*	*			trans	-88.4	172.5	-172.2	37.8	0	0	0	0	113.7
661	P	40.2	Very low	31	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	83%	0.825	S	S	*	*			cis	-151	151.5	36.3	40.6	-17.8	0	0	0	122.7
662	R	28.2	Very low	31.3	Very low	239 Å²	239	137.7 Å²	137.7	90%	0.902	81%	0.814	S	S	*	*			trans	50.2	116.1	137.4	-64.3	179.9	174.4	172.5	-1.2	120.9
663	S	28.8	Very low	31.9	Very low	132 Å²	132	137.1 Å²	137.1	92%	0.923	81%	0.808	S	S	*	*				-147.5	146	123.3	-74.7	0	0	0	0	108.6
664	A	29.4	Very low	32.7	Very low	106 Å²	106	137 Å²	137	88%	0.876	80%	0.799	S	S	*	*			trans	-110.3	134.7	-162.3	0	0	0	0	0	114.4
665	S	32	Very low	33.7	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	80%	0.796	S	S	*	*			trans	-150.6	103.5	153.3	56.8	0	0	0	0	107.4	D667	S665-D667 PolarHBondContact O-N 3.21Å
666	G	26.6	Very low	35.6	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	77%	0.772	S	S	*	*			trans	-81.7	112.1	-171.4	0	0	0	0	0	112.9	T668	G666-T668 PolarHBondContact O-N 3.07Å
667	D	30.5	Very low	38.1	Very low	166 Å²	166	138.9 Å²	138.9	89%	0.888	77%	0.772	S	S	*	*			trans	-71.2	110.4	160.6	-93.1	-39.9	0	0	0	109.6	S665 K669	S665-D667 PolarHBondContact O-N 3.21Å; D667-K669 PolarHBondContact O-N 3.38Å
668	T	30.6	Very low	40.8	Very low	145 Å²	145	128.4 Å²	128.4	89%	0.89	74%	0.735	S	S	*	*			trans	-79.8	93	161.6	48.7	0	0	0	0	109.1	G666	G666-T668 PolarHBondContact O-N 3.07Å
669	K	39.4	Very low	43.6	Very low	179 Å²	179	127 Å²	127	78%	0.778	72%	0.716	S	S	*	*			trans	-81.5	160	166.2	-139.3	174.5	-175	174.9	0	110.2	D667	D667-K669 PolarHBondContact O-N 3.38Å
670	D	38.3	Very low	46.3	Very low	147 Å²	147	121.1 Å²	121.1	79%	0.786	70%	0.696	S	S	*	*			trans	77.3	80.6	170.3	-48.3	-28.4	0	0	0	115.7
671	D	33.7	Very low	48.7	Very low	160 Å²	160	117.2 Å²	117.2	86%	0.856	67%	0.67	S	S	*	*	S	Bend		-143	16.6	101.7	-165.7	29.3	0	0	0	114.6	G673	D671-G673 PolarHBondContact O-N 3.28Å
672	A	38.2	Very low	50.1	Low	75 Å²	75	120.1 Å²	120.1	62%	0.62	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	21.3	-171.2	0	0	0	0	0	116.2
673	G	40.2	Very low	52.2	Low	60 Å²	60	109.5 Å²	109.5	62%	0.619	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-48.7	-171.3	0	0	0	0	0	114.2	D671 S676	D671-G673 PolarHBondContact O-N 3.28Å; G673-S676 PolarHBondContact O-OG 2.84Å
674	R	45.8	Very low	54.1	Low	199 Å²	199	104.3 Å²	104.3	75%	0.751	59%	0.59	S	S	*	*	S	Bend	trans	-78.9	-36	-177.8	-86.6	179.3	165.1	161.9	-4.8	113.4	S676	R674-S676 PolarHBondContact O-N 2.71Å
675	D	52.3	Low	56.3	Low	121 Å²	121	104.1 Å²	104.1	65%	0.647	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	9.8	-176.2	-62.6	-30	0	0	0	114.3	K677 R718	D675-K677 VanDerWaalsContact C-N 3.34Å; D675-R718 WeakPolarHBondContact O-CD 3.46Å
676	S	68.6	Low	58.4	Low	48 Å²	48	99.1 Å²	99.1	34%	0.336	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.7	177.5	62.3	0	0	0	0	114	G673 R674	G673-S676 PolarHBondContact O-OG 2.84Å; R674-S676 PolarHBondContact O-N 2.71Å
677	K	82.4	Confident	60.8	Low	156 Å²	156	103.3 Å²	103.3	68%	0.678	53%	0.532	S	S	*	.	S	Bend	trans	-134.1	149.4	-169.6	-67.6	168.2	-172.8	167.1	0	112.2	D675 F719	D675-K677 VanDerWaalsContact C-N 3.34Å; K677-F719 VanDerWaalsContact C-CE2 3.42Å
678	P	87.8	Confident	63.3	Low	19 Å²	19	101.8 Å²	101.8	12%	0.123	52%	0.517	C	S	.	.			trans	-53.9	141.3	170.4	-30	37.8	0	0	0	113.1	P695 F719 V740 K742	P678-P695 HydrophobicContact CG-CB 3.56Å; P678-P695 HydrophobicContact CG-CG 3.34Å; P678-F719 HydrophobicContact CG-CD2 4.26Å; P678-F719 HydrophobicContact CG-CE2 4.3Å; P678-F719 HydrophobicContact CG-CG 4.39Å; P678-F719 HydrophobicContact CG-CZ 4.46Å; P678-V740 WeakPolarHBondContact CB-O 3.42Å; P678-V740 HydrophobicContact CG-CG1 4.32Å; P678-K742 HydrophobicContact CB-CB 4.32Å
679	R	88.3	Confident	66	Low	93 Å²	93	95.1 Å²	95.1	35%	0.351	48%	0.476	S	S	.	.			trans	-62.7	137.8	173.3	-68.3	-164.5	-72.1	-127.9	-12.8	110.6	L681 E717 E739 C741 K742	R679-L681 HydrophobicContact CB-CD1 4.32Å; R679-L681 HydrophobicContact CB-CD2 4.46Å; R679-L681 HydrophobicContact CB-CG 3.98Å; R679-L681 PolarHBondContact O-N 3.44Å; R679-E717 IonicContact CZ-OE1 2.62Å; R679-E717 IonicContact CZ-OE2 3.97Å; R679-E717 IonicContact NH1-OE1 2.87Å; R679-E717 PolarHBondContact NH1-OE1 2.89Å; R679-E717 IonicContact NH1-OE2 3.22Å; R679-E717 PolarHBondContact NH1-OE2 3.32Å; R679-E717 VanDerWaalsContact NH1-OE2 3.11Å; R679-E717 IonicContact NH2-OE1 2.65Å; R679-E717 PolarHBondContact NH2-OE1 3.49Å; R679-E717 IonicContact NH2-OE2 2.72Å; R679-E717 PolarHBondContact NH2-OE2 3.32Å; R679-E739 IonicContact CZ-OE1 3.43Å; R679-E739 IonicContact NE-OE1 3.25Å; R679-E739 PolarHBondContact NE-OE1 3.25Å; R679-E739 IonicContact NH2-OE1 3.29Å; R679-E739 PolarHBondContact NH2-OE1 3.03Å; R679-E739 IonicContact NH2-OE2 3.86Å; R679-E739 PolarHBondContact NH2-OE2 2.76Å; R679-E739 VanDerWaalsContact NH2-OE2 3.12Å; R679-C741 CarbonylContact O-C 3.54Å; R679-C741 WeakPolarHBondContact O-CA 3.16Å; R679-K742 PolarHBondContact O-N 2.89Å
680	S	84.5	Confident	68.4	Low	64 Å²	64	87.6 Å²	87.6	45%	0.448	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-81	102.8	171.4	-173.1	0	0	0	0	108.5
681	L	76.9	Confident	70.9	Confident	45 Å²	45	81.1 Å²	81.1	24%	0.236	41%	0.412	C	S	.	.			trans	-123	137.6	-176	-66.6	-177.7	0	0	0	111.2	R679 F683 C741 K742	R679-L681 HydrophobicContact CB-CD1 4.32Å; R679-L681 HydrophobicContact CB-CD2 4.46Å; R679-L681 HydrophobicContact CB-CG 3.98Å; R679-L681 PolarHBondContact O-N 3.44Å; L681-F683 HydrophobicContact CB-CD1 4.22Å; L681-F683 WeakPolarHBondContact O-CD1 3.33Å; L681-F683 PolarHBondContact O-N 3.19Å; L681-C741 HydrophobicContact CB-CB 4.44Å; L681-K742 PolarHBondContact N-O 2.72Å
682	R	69.4	Low	73.6	Confident	170 Å²	170	78.6 Å²	78.6	64%	0.642	41%	0.407	S	S	*	.			trans	-85.3	106.8	167.3	-170.2	178.1	-175.5	-169.2	-3.2	108.2	D192	D192-R682 IonicContact OD1-CZ 3.49Å; D192-R682 IonicContact OD1-NH1 2.71Å; D192-R682 PolarHBondContact OD1-NH1 3.31Å
683	F	72.8	Confident	76.2	Confident	16 Å²	16	77.7 Å²	77.7	7%	0.07	39%	0.39	C	S	.	.			trans	-144.5	173.6	177	74.2	-80	0	0	0	111.1	L681 W685 C741 L743 R752	L681-F683 HydrophobicContact CB-CD1 4.22Å; L681-F683 WeakPolarHBondContact O-CD1 3.33Å; L681-F683 PolarHBondContact O-N 3.19Å; F683-W685 HydrophobicContact CD2-CB 4.45Å; F683-W685 HydrophobicContact CE2-CB 3.84Å; F683-W685 HydrophobicContact CZ-CB 3.89Å; F683-W685 PolarHBondContact O-N 3.4Å; F683-W685 VanDerWaalsContact O-N 3.09Å; F683-C741 HydrophobicContact CD1-CB 4.21Å; F683-C741 HydrophobicContact CE1-CB 3.47Å; F683-C741 VanDerWaalsContact CE1-CB 3.47Å; F683-C741 HydrophobicContact CZ-CB 4.12Å; F683-L743 HydrophobicContact CD1-CD2 4.4Å; F683-L743 HydrophobicContact CE1-CD2 3.47Å; F683-L743 VanDerWaalsContact CE1-CD2 3.47Å; F683-L743 HydrophobicContact CZ-CD2 3.73Å; F683-R752 HydrophobicContact CB-CG 4.47Å; F683-R752 HydrophobicContact CD1-CB 4.5Å; F683-R752 HydrophobicContact CD2-CB 3.74Å; F683-R752 HydrophobicContact CD2-CG 3.7Å; F683-R752 HydrophobicContact CE1-CB 4.37Å; F683-R752 HydrophobicContact CE2-CB 3.58Å; F683-R752 HydrophobicContact CE2-CG 4.09Å; F683-R752 HydrophobicContact CG-CB 4.21Å; F683-R752 HydrophobicContact CG-CG 4.05Å; F683-R752 HydrophobicContact CZ-CB 3.92Å
684	T	67.5	Low	78.7	Confident	23 Å²	23	79.3 Å²	79.3	14%	0.141	39%	0.385	C	S	.	.			trans	-71.5	86.8	173.6	37.8	0	0	0	0	111.7	Y146 M193	Y146-T684 HydrophobicContact CD2-CG2 3.37Å; Y146-T684 HydrophobicContact CE2-CG2 4.03Å; Y146-T684 HydrophobicContact CG-CG2 4.06Å; M193-T684 HydrophobicContact CE-CG2 3.44Å; M193-T684 VanDerWaalsContact CE-CG2 3.44Å; M193-T684 HydrophobicContact SD-CG2 4.46Å
685	W	76.3	Confident	81	Confident	101 Å²	101	70.5 Å²	70.5	38%	0.383	35%	0.354	S	S	.	.			trans	-90	148.9	177.2	61.7	-90.5	0	0	0	112.3	H150 F683 M687 L743 L746	H150-W685 PolarHBondContact CE1-O 3.35Å; H150-W685 PolarHBondContact NE2-O 3.16Å; H150-W685 VanDerWaalsContact NE2-O 3.15Å; F683-W685 HydrophobicContact CD2-CB 4.45Å; F683-W685 HydrophobicContact CE2-CB 3.84Å; F683-W685 HydrophobicContact CZ-CB 3.89Å; F683-W685 PolarHBondContact O-N 3.4Å; F683-W685 VanDerWaalsContact O-N 3.09Å; W685-M687 HydrophobicContact CZ3-CG 4.09Å; W685-L743 HydrophobicContact CB-CD1 4.07Å; W685-L743 HydrophobicContact CB-CD2 3.64Å; W685-L743 HydrophobicContact CD2-CD1 3.87Å; W685-L743 HydrophobicContact CE3-CD1 4.08Å; W685-L743 HydrophobicContact CG-CD1 3.85Å; W685-L743 HydrophobicContact CG-CD2 3.77Å; W685-L743 HydrophobicContact CG-CG 4.46Å; W685-L746 HydrophobicContact CH2-CD1 3.7Å; W685-L746 HydrophobicContact CZ2-CD1 3.63Å; W685-L746 HydrophobicContact CZ3-CD1 4.16Å
686	S	77.2	Confident	83	Confident	15 Å²	15	66.6 Å²	66.6	11%	0.105	34%	0.338	C	S	.	.			trans	-115.9	149.3	175.9	88.5	0	0	0	0	110.7	A149 K688 T689 T690	A149-S686 WeakPolarHBondContact O-CB 3.31Å; S686-K688 PolarHBondContact O-N 3.3Å; S686-K688 PolarHBondContact OG-N 3.45Å; S686-T689 CarbonylContact O-C 3.59Å; S686-T689 PolarHBondContact O-N 3.31Å; S686-T689 VanDerWaalsContact O-N 3.11Å; S686-T689 PolarHBondContact O-OG1 3.26Å; S686-T689 PolarHBondContact OG-N 2.86Å; S686-T689 PolarHBondContact OG-OG1 2.95Å; S686-T690 WeakPolarHBondContact O-CB 3.49Å; S686-T690 PolarHBondContact O-N 3.21Å; S686-T690 PolarHBondContact O-OG1 3.49Å
687	M	77.1	Confident	84.3	Confident	168 Å²	168	67.4 Å²	67.4	83%	0.828	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-61.7	-26.1	173.6	-68.5	-176.4	76.4	0	0	112.8	W685 T689	W685-M687 HydrophobicContact CZ3-CG 4.09Å; M687-T689 PolarHBondContact O-N 2.86Å
688	K	82.4	Confident	84.9	Confident	133 Å²	133	60 Å²	60	58%	0.578	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-66.4	-28.2	176	-64.2	-177.8	175.5	-177.6	0	113	S686 N772	S686-K688 PolarHBondContact O-N 3.3Å; S686-K688 PolarHBondContact OG-N 3.45Å; K688-N772 PolarHBondContact NZ-OD1 2.92Å
689	T	86.4	Confident	85.3	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.031	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-116.5	17.9	-172.7	59.3	0	0	0	0	112.2	S686 M687 G750 V751 F753 A771 L774	S686-T689 CarbonylContact O-C 3.59Å; S686-T689 PolarHBondContact O-N 3.31Å; S686-T689 VanDerWaalsContact O-N 3.11Å; S686-T689 PolarHBondContact O-OG1 3.26Å; S686-T689 PolarHBondContact OG-N 2.86Å; S686-T689 PolarHBondContact OG-OG1 2.95Å; M687-T689 PolarHBondContact O-N 2.86Å; T689-G750 CarbonylContact O-C 3.37Å; T689-G750 VanDerWaalsContact O-CA 3.22Å; T689-G750 WeakPolarHBondContact O-CA 3.18Å; T689-V751 PolarHBondContact O-N 3.27Å; T689-F753 HydrophobicContact CG2-CE2 4.09Å; T689-A771 HydrophobicContact CG2-CB 3.75Å; T689-L774 HydrophobicContact CG2-CD1 4.39Å
690	T	89.9	Confident	85.7	Confident	22 Å²	22	62.3 Å²	62.3	14%	0.135	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133	179.8	-61.7	0	0	0	0	109.8	S686 L743 L748 N749	S686-T690 WeakPolarHBondContact O-CB 3.49Å; S686-T690 PolarHBondContact O-N 3.21Å; S686-T690 PolarHBondContact O-OG1 3.49Å; T690-L743 HydrophobicContact CG2-CD1 3.45Å; T690-L743 VanDerWaalsContact CG2-CD1 3.45Å; T690-L748 HydrophobicContact CG2-CB 3.84Å; T690-L748 HydrophobicContact CG2-CD1 3.77Å; T690-L748 HydrophobicContact CG2-CG 4.46Å; T690-N749 CarbonylContact C-O 3.57Å; T690-N749 WeakPolarHBondContact CA-O 3.47Å
691	S	91.4	Very high	86.4	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.07	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.9	-176.3	178.2	0	0	0	0	113.7	M693 N749 L776	S691-M693 VanDerWaalsContact OG-CB 3.31Å; S691-M693 WeakPolarHBondContact OG-CB 3.4Å; S691-M693 PolarHBondContact OG-N 3.08Å; S691-N749 PolarHBondContact N-O 3.5Å; S691-N749 PolarHBondContact O-N 3.09Å; S691-L776 WeakPolarHBondContact CB-OXT 2.95Å; S691-L776 PolarHBondContact OG-OXT 3.46Å
692	S	90.9	Very high	87.3	Confident	108 Å²	108	58.6 Å²	58.6	76%	0.755	29%	0.287	S	S	*	.	S	Bend	trans	-90.3	-0.9	166.7	56.1	0	0	0	0	113.7
693	M	92.1	Very high	88.7	Confident	55 Å²	55	53.5 Å²	53.5	27%	0.271	27%	0.268	S	S	.	.	S	Bend	trans	-60.8	152.6	175.5	-168.1	-169.1	-57.3	0	0	111.1	S691 D697 M698 L776	S691-M693 VanDerWaalsContact OG-CB 3.31Å; S691-M693 WeakPolarHBondContact OG-CB 3.4Å; S691-M693 PolarHBondContact OG-N 3.08Å; M693-D697 HydrophobicContact CG-CB 3.99Å; M693-D697 VanDerWaalsContact SD-C 3.55Å; M693-D697 HydrophobicContact SD-CB 3.65Å; M693-M698 HydrophobicContact CB-CG 3.96Å; M693-M698 HydrophobicContact CG-CG 4.29Å; M693-M698 HydrophobicContact SD-CG 4.14Å; M693-L776 HydrophobicContact CE-CD2 4.37Å; M693-L776 WeakPolarHBondContact CE-OXT 3.41Å
694	D	93.3	Very high	89.9	Confident	94 Å²	94	58.2 Å²	58.2	50%	0.503	29%	0.288	S	S	.	.			trans	-60.4	134.6	172.6	-173.3	-88.1	0	0	0	111.2	A696 D697 M698	D694-A696 PolarHBondContact O-N 2.98Å; D694-A696 VanDerWaalsContact O-N 3.13Å; D694-A696 VanDerWaalsContact OD1-CB 3.26Å; D694-A696 WeakPolarHBondContact OD1-CB 3.45Å; D694-A696 PolarHBondContact OD1-N 2.86Å; D694-D697 PolarHBondContact O-N 3.12Å; D694-M698 WeakPolarHBondContact O-CG 3.22Å; D694-M698 PolarHBondContact O-N 3.3Å
695	P	93.9	Very high	91.3	Very high	15 Å²	15	57.5 Å²	57.5	10%	0.097	28%	0.284	C	S	.	.	H	α-helix	trans	-52.9	-32	179.3	-31.1	37.6	0	0	0	115.9	P678 M699 F719 V740 N749	P678-P695 HydrophobicContact CG-CB 3.56Å; P678-P695 HydrophobicContact CG-CG 3.34Å; P695-M699 VanDerWaalsContact O-CG 3.28Å; P695-M699 WeakPolarHBondContact O-CG 3.42Å; P695-M699 PolarHBondContact O-N 3.38Å; P695-F719 HydrophobicContact CB-CD1 3.8Å; P695-F719 HydrophobicContact CB-CE1 3.39Å; P695-F719 HydrophobicContact CB-CZ 4.03Å; P695-V740 HydrophobicContact CB-CG1 4.06Å; P695-N749 WeakPolarHBondContact CG-ND2 3.35Å
696	A	93.8	Very high	92.3	Very high	39 Å²	39	52.7 Å²	52.7	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-71	-34.8	178.4	0	0	0	0	0	112	D694 R700	D694-A696 PolarHBondContact O-N 2.98Å; D694-A696 VanDerWaalsContact O-N 3.13Å; D694-A696 VanDerWaalsContact OD1-CB 3.26Å; D694-A696 WeakPolarHBondContact OD1-CB 3.45Å; D694-A696 PolarHBondContact OD1-N 2.86Å; A696-R700 PolarHBondContact O-N 3.5Å; A696-R700 VanDerWaalsContact O-N 3.11Å
697	D	95.5	Very high	93.3	Very high	64 Å²	64	56.4 Å²	56.4	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-78.7	-32.9	174.8	-71.8	-40.3	0	0	0	112.1	M693 D694 M699 R700 E701	M693-D697 HydrophobicContact CG-CB 3.99Å; M693-D697 VanDerWaalsContact SD-C 3.55Å; M693-D697 HydrophobicContact SD-CB 3.65Å; D694-D697 PolarHBondContact O-N 3.12Å; D697-M699 VanDerWaalsContact C-N 3.3Å; D697-M699 PolarHBondContact O-N 3.4Å; D697-R700 WeakPolarHBondContact O-CA 3.48Å; D697-R700 VanDerWaalsContact O-CB 3.29Å; D697-R700 WeakPolarHBondContact O-CB 3.44Å; D697-R700 PolarHBondContact O-N 2.81Å; D697-R700 IonicContact OD1-CZ 3.47Å; D697-R700 VanDerWaalsContact OD1-CZ 3.23Å; D697-R700 IonicContact OD1-NE 3.59Å; D697-R700 PolarHBondContact OD1-NE 2.79Å; D697-R700 IonicContact OD1-NH2 2.75Å; D697-R700 PolarHBondContact OD1-NH2 3.01Å; D697-E701 PolarHBondContact O-N 3.14Å
698	M	96	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-46	166.6	-63	-176.2	72.5	0	0	111	M693 D694 R700 E701 I702 V740 N749 V751 L776	M693-M698 HydrophobicContact CB-CG 3.96Å; M693-M698 HydrophobicContact CG-CG 4.29Å; M693-M698 HydrophobicContact SD-CG 4.14Å; D694-M698 WeakPolarHBondContact O-CG 3.22Å; D694-M698 PolarHBondContact O-N 3.3Å; M698-R700 VanDerWaalsContact C-N 3.26Å; M698-R700 PolarHBondContact O-N 3.07Å; M698-E701 PolarHBondContact O-N 3.12Å; M698-I702 WeakPolarHBondContact O-CB 3.5Å; M698-I702 WeakPolarHBondContact O-CD1 3.42Å; M698-I702 WeakPolarHBondContact O-CG1 3.43Å; M698-I702 PolarHBondContact O-N 3.09Å; M698-V740 HydrophobicContact CB-CG2 4.06Å; M698-V740 HydrophobicContact CE-CG1 4.29Å; M698-V740 HydrophobicContact SD-CG1 3.83Å; M698-N749 HydrophobicContact CE-CB 4.28Å; M698-N749 HydrophobicContact SD-CB 3.6Å; M698-N749 VanDerWaalsContact SD-CB 3.6Å; M698-V751 HydrophobicContact CE-CG2 3.93Å; M698-L776 HydrophobicContact CB-CD2 3.98Å; M698-L776 HydrophobicContact CE-CD1 4Å; M698-L776 HydrophobicContact CE-CD2 4.21Å; M698-L776 HydrophobicContact CG-CD2 4.01Å
699	M	97	Very high	94.8	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-30.2	175	-71.3	-69.5	-71.4	0	0	112.9	P695 D697 I702 R703 F719 L721 V740	P695-M699 VanDerWaalsContact O-CG 3.28Å; P695-M699 WeakPolarHBondContact O-CG 3.42Å; P695-M699 PolarHBondContact O-N 3.38Å; D697-M699 VanDerWaalsContact C-N 3.3Å; D697-M699 PolarHBondContact O-N 3.4Å; M699-I702 HydrophobicContact SD-CD1 4.3Å; M699-R703 WeakPolarHBondContact O-CG 3.32Å; M699-R703 PolarHBondContact O-N 2.78Å; M699-R703 VanDerWaalsContact O-N 3.16Å; M699-F719 HydrophobicContact CG-CD1 4.03Å; M699-L721 HydrophobicContact CE-CD1 4.4Å; M699-L721 HydrophobicContact CE-CD2 3.6Å; M699-L721 HydrophobicContact CE-CG 3.72Å; M699-V740 HydrophobicContact CG-CG2 3.99Å; M699-V740 HydrophobicContact SD-CB 4.48Å; M699-V740 HydrophobicContact SD-CG2 3.73Å
700	R	96.4	Very high	95.3	Very high	159 Å²	159	51 Å²	51	60%	0.6	28%	0.284	S	S	*	.	H	α-helix	trans	-69.1	-46.2	175.3	-164.7	-162.9	-53.2	-102.4	4	111.4	A696 D697 M698 R703 K704	A696-R700 PolarHBondContact O-N 3.5Å; A696-R700 VanDerWaalsContact O-N 3.11Å; D697-R700 WeakPolarHBondContact O-CA 3.48Å; D697-R700 VanDerWaalsContact O-CB 3.29Å; D697-R700 WeakPolarHBondContact O-CB 3.44Å; D697-R700 PolarHBondContact O-N 2.81Å; D697-R700 IonicContact OD1-CZ 3.47Å; D697-R700 VanDerWaalsContact OD1-CZ 3.23Å; D697-R700 IonicContact OD1-NE 3.59Å; D697-R700 PolarHBondContact OD1-NE 2.79Å; D697-R700 IonicContact OD1-NH2 2.75Å; D697-R700 PolarHBondContact OD1-NH2 3.01Å; M698-R700 VanDerWaalsContact C-N 3.26Å; M698-R700 PolarHBondContact O-N 3.07Å; R700-R703 PolarHBondContact O-N 3.38Å; R700-K704 PolarHBondContact O-N 3.33Å; R700-K704 VanDerWaalsContact O-N 3.16Å
701	E	97.4	Very high	95.7	Very high	29 Å²	29	50.2 Å²	50.2	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-37.6	176.7	-169.5	64.8	-170.2	0	0	111.5	D697 M698 K704 V705 L774 K775 L776	D697-E701 PolarHBondContact O-N 3.14Å; M698-E701 PolarHBondContact O-N 3.12Å; E701-K704 PolarHBondContact O-N 3.35Å; E701-K704 IonicContact OE1-NZ 3.23Å; E701-K704 PolarHBondContact OE1-NZ 3.18Å; E701-K704 WeakPolarHBondContact OE2-CD 3.4Å; E701-K704 IonicContact OE2-NZ 2.79Å; E701-K704 PolarHBondContact OE2-NZ 2.75Å; E701-V705 HydrophobicContact CG-CG2 4.47Å; E701-V705 WeakPolarHBondContact O-CG2 3.37Å; E701-V705 PolarHBondContact O-N 3.21Å; E701-L774 HydrophobicContact CG-CD2 4.41Å; E701-K775 HydrophobicContact CG-CB 4.44Å; E701-L776 HydrophobicContact CB-CD2 4.3Å
702	I	97.3	Very high	95.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-52	173.4	-71.7	163.4	0	0	0	111.4	M698 M699 K704 V705 L706 L721 M738 V740 V751 L774	M698-I702 WeakPolarHBondContact O-CB 3.5Å; M698-I702 WeakPolarHBondContact O-CD1 3.42Å; M698-I702 WeakPolarHBondContact O-CG1 3.43Å; M698-I702 PolarHBondContact O-N 3.09Å; M699-I702 HydrophobicContact SD-CD1 4.3Å; I702-K704 PolarHBondContact O-N 3.07Å; I702-V705 PolarHBondContact O-N 3.25Å; I702-L706 HydrophobicContact CG2-CD1 3.77Å; I702-L706 HydrophobicContact CG2-CG 4.43Å; I702-L706 WeakPolarHBondContact O-CG 3.26Å; I702-L706 PolarHBondContact O-N 2.95Å; I702-L721 HydrophobicContact CG2-CD1 3.67Å; I702-M738 HydrophobicContact CD1-CE 4.48Å; I702-M738 HydrophobicContact CG1-CE 4.18Å; I702-M738 HydrophobicContact CG2-CE 3.59Å; I702-M738 HydrophobicContact CG2-SD 4.22Å; I702-V740 HydrophobicContact CD1-CG2 3.67Å; I702-V751 HydrophobicContact CD1-CG1 3.94Å; I702-V751 HydrophobicContact CD1-CG2 3.81Å; I702-V751 HydrophobicContact CG1-CG2 4.42Å; I702-L774 HydrophobicContact CB-CD2 4.35Å; I702-L774 HydrophobicContact CG1-CD2 3.71Å
703	R	98	Very high	96.2	Very high	64 Å²	64	54.1 Å²	54.1	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-48.4	178.9	-75.4	-174.2	-65.5	-97.7	-10.5	111.8	M699 R700 V705 L706 D707 Y713 L721	M699-R703 WeakPolarHBondContact O-CG 3.32Å; M699-R703 PolarHBondContact O-N 2.78Å; M699-R703 VanDerWaalsContact O-N 3.16Å; R700-R703 PolarHBondContact O-N 3.38Å; R703-V705 VanDerWaalsContact C-N 3.32Å; R703-V705 PolarHBondContact O-N 3.29Å; R703-L706 WeakPolarHBondContact O-CA 3.23Å; R703-L706 WeakPolarHBondContact O-CB 3.41Å; R703-L706 PolarHBondContact O-N 3.45Å; R703-D707 PolarHBondContact O-N 2.94Å; R703-D707 VanDerWaalsContact O-OD2 3.09Å; R703-Y713 HydrophobicContact CB-CE1 4.48Å; R703-Y713 HydrophobicContact CB-CE2 4.15Å; R703-Y713 HydrophobicContact CG-CD2 4.2Å; R703-Y713 HydrophobicContact CG-CE2 3.53Å; R703-L721 HydrophobicContact CG-CD1 3.98Å
704	K	97.6	Very high	96.4	Very high	115 Å²	115	55.6 Å²	55.6	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-57.5	-39.1	177.1	170.7	178.7	154.1	-127.2	0	113.6	R700 E701 I702 A708	R700-K704 PolarHBondContact O-N 3.33Å; R700-K704 VanDerWaalsContact O-N 3.16Å; E701-K704 PolarHBondContact O-N 3.35Å; E701-K704 IonicContact OE1-NZ 3.23Å; E701-K704 PolarHBondContact OE1-NZ 3.18Å; E701-K704 WeakPolarHBondContact OE2-CD 3.4Å; E701-K704 IonicContact OE2-NZ 2.79Å; E701-K704 PolarHBondContact OE2-NZ 2.75Å; I702-K704 PolarHBondContact O-N 3.07Å; K704-A708 WeakPolarHBondContact O-CB 3.41Å; K704-A708 PolarHBondContact O-N 3.28Å; K704-A708 VanDerWaalsContact O-N 3.12Å
705	V	97.4	Very high	96.5	Very high	8 Å²	8	55.5 Å²	55.5	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-73.3	-35.5	175.8	173.5	0	0	0	0	111.4	E701 I702 R703 A708 N709 I770 E773 L774	E701-V705 HydrophobicContact CG-CG2 4.47Å; E701-V705 WeakPolarHBondContact O-CG2 3.37Å; E701-V705 PolarHBondContact O-N 3.21Å; I702-V705 PolarHBondContact O-N 3.25Å; R703-V705 VanDerWaalsContact C-N 3.32Å; R703-V705 PolarHBondContact O-N 3.29Å; V705-A708 PolarHBondContact O-N 3.13Å; V705-N709 WeakPolarHBondContact O-CB 3.34Å; V705-N709 PolarHBondContact O-N 3.07Å; V705-N709 VanDerWaalsContact O-N 3.16Å; V705-N709 PolarHBondContact O-ND2 3.07Å; V705-I770 HydrophobicContact CG1-CB 4.39Å; V705-I770 HydrophobicContact CG1-CG1 4.46Å; V705-I770 HydrophobicContact CG1-CG2 4Å; V705-E773 HydrophobicContact CG1-CB 3.87Å; V705-L774 HydrophobicContact CB-CD2 4.31Å; V705-L774 HydrophobicContact CG2-CD2 4.16Å
706	L	97.8	Very high	96.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-45.8	172.6	-70.7	165.4	0	0	0	111.6	I702 R703 A708 N709 S710 C711 Y713 L721 C723 W736 M738 I770	I702-L706 HydrophobicContact CG2-CD1 3.77Å; I702-L706 HydrophobicContact CG2-CG 4.43Å; I702-L706 WeakPolarHBondContact O-CG 3.26Å; I702-L706 PolarHBondContact O-N 2.95Å; R703-L706 WeakPolarHBondContact O-CA 3.23Å; R703-L706 WeakPolarHBondContact O-CB 3.41Å; R703-L706 PolarHBondContact O-N 3.45Å; L706-A708 VanDerWaalsContact C-N 3.35Å; L706-A708 PolarHBondContact O-N 3.07Å; L706-N709 CarbonylContact O-C 3.55Å; L706-N709 WeakPolarHBondContact O-CA 3.29Å; L706-N709 PolarHBondContact O-N 2.82Å; L706-S710 PolarHBondContact O-N 2.89Å; L706-C711 HydrophobicContact CB-CB 4.04Å; L706-C711 HydrophobicContact CD2-CB 3.61Å; L706-C711 HydrophobicContact CG-CB 4.46Å; L706-C711 PolarHBondContact O-N 2.95Å; L706-Y713 HydrophobicContact CB-CD1 3.63Å; L706-Y713 HydrophobicContact CB-CE1 3.78Å; L706-Y713 HydrophobicContact CD1-CD1 3.74Å; L706-Y713 HydrophobicContact CD1-CE1 4.38Å; L706-Y713 HydrophobicContact CD1-CG 4.03Å; L706-Y713 HydrophobicContact CG-CD1 4.29Å; L706-L721 HydrophobicContact CD1-CD1 3.66Å; L706-C723 HydrophobicContact CD2-CB 4.44Å; L706-W736 HydrophobicContact CD2-CZ2 3.92Å; L706-M738 HydrophobicContact CD1-SD 4.25Å; L706-M738 HydrophobicContact CD2-SD 4.04Å; L706-M738 HydrophobicContact CG-SD 4.47Å; L706-I770 HydrophobicContact CD2-CD1 3.67Å
707	D	97.1	Very high	96.1	Very high	93 Å²	93	63.3 Å²	63.3	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-56.9	-47.6	175.5	-59.2	-39.7	0	0	0	110.8	R703 N709 S710 Y713	R703-D707 PolarHBondContact O-N 2.94Å; R703-D707 VanDerWaalsContact O-OD2 3.09Å; D707-N709 PolarHBondContact O-N 2.94Å; D707-S710 PolarHBondContact O-N 3.36Å; D707-S710 VanDerWaalsContact O-N 3.14Å; D707-Y713 WeakPolarHBondContact OD1-CE1 3.45Å; D707-Y713 PolarHBondContact OD1-OH 3.44Å; D707-Y713 PolarHBondContact OD2-OH 3.47Å
708	A	96.8	Very high	95.9	Very high	79 Å²	79	67 Å²	67	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-16.3	177.9	0	0	0	0	0	114.2	K704 V705 L706	K704-A708 WeakPolarHBondContact O-CB 3.41Å; K704-A708 PolarHBondContact O-N 3.28Å; K704-A708 VanDerWaalsContact O-N 3.12Å; V705-A708 PolarHBondContact O-N 3.13Å; L706-A708 VanDerWaalsContact C-N 3.35Å; L706-A708 PolarHBondContact O-N 3.07Å
709	N	95.9	Very high	95.9	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.048	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	11.1	177.5	-80.9	-83	0	0	0	113.3	V705 L706 D707 C711 I766 K769 E773	V705-N709 WeakPolarHBondContact O-CB 3.34Å; V705-N709 PolarHBondContact O-N 3.07Å; V705-N709 VanDerWaalsContact O-N 3.16Å; V705-N709 PolarHBondContact O-ND2 3.07Å; L706-N709 CarbonylContact O-C 3.55Å; L706-N709 WeakPolarHBondContact O-CA 3.29Å; L706-N709 PolarHBondContact O-N 2.82Å; D707-N709 PolarHBondContact O-N 2.94Å; N709-C711 PolarHBondContact O-N 2.9Å; N709-C711 PolarHBondContact O-SG 3.2Å; N709-I766 HydrophobicContact CB-CD1 4.5Å; N709-K769 WeakPolarHBondContact OD1-CD 3.46Å; N709-K769 WeakPolarHBondContact OD1-CE 3.49Å; N709-K769 PolarHBondContact OD1-NZ 2.85Å; N709-E773 PolarHBondContact ND2-OE2 3.15Å
710	S	96.4	Very high	95.8	Very high	104 Å²	104	67.8 Å²	67.8	73%	0.727	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.4	-176.3	-53.6	0	0	0	0	112.7	L706 D707	L706-S710 PolarHBondContact O-N 2.89Å; D707-S710 PolarHBondContact O-N 3.36Å; D707-S710 VanDerWaalsContact O-N 3.14Å
711	C	96.9	Very high	95.8	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.041	30%	0.295	C	S	.	.			trans	-98.6	121.7	175.9	-62.1	0	0	0	0	109.5	L706 N709 Y713 V724 W736	L706-C711 HydrophobicContact CB-CB 4.04Å; L706-C711 HydrophobicContact CD2-CB 3.61Å; L706-C711 HydrophobicContact CG-CB 4.46Å; L706-C711 PolarHBondContact O-N 2.95Å; N709-C711 PolarHBondContact O-N 2.9Å; N709-C711 PolarHBondContact O-SG 3.2Å; C711-Y713 WeakPolarHBondContact O-CD1 3.45Å; C711-V724 WeakPolarHBondContact CA-O 3.03Å; C711-W736 HydrophobicContact CB-CH2 4.28Å
712	D	96.8	Very high	95.8	Very high	123 Å²	123	60.8 Å²	60.8	66%	0.658	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.3	170.5	-62.8	-48.7	0	0	0	109.7	C723 V724	D712-C723 CarbonylContact O-C 3.5Å; D712-C723 WeakPolarHBondContact O-CA 3.36Å; D712-V724 HydrophobicContact CB-CB 4.43Å; D712-V724 PolarHBondContact N-O 3.19Å; D712-V724 PolarHBondContact O-N 3.34Å
713	Y	97.1	Very high	95.8	Very high	76 Å²	76	60.7 Å²	60.7	30%	0.298	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.9	174.5	57.1	-92.1	0	0	0	113.8	R703 L706 D707 C711 L721 F722	R703-Y713 HydrophobicContact CB-CE1 4.48Å; R703-Y713 HydrophobicContact CB-CE2 4.15Å; R703-Y713 HydrophobicContact CG-CD2 4.2Å; R703-Y713 HydrophobicContact CG-CE2 3.53Å; L706-Y713 HydrophobicContact CB-CD1 3.63Å; L706-Y713 HydrophobicContact CB-CE1 3.78Å; L706-Y713 HydrophobicContact CD1-CD1 3.74Å; L706-Y713 HydrophobicContact CD1-CE1 4.38Å; L706-Y713 HydrophobicContact CD1-CG 4.03Å; L706-Y713 HydrophobicContact CG-CD1 4.29Å; D707-Y713 WeakPolarHBondContact OD1-CE1 3.45Å; D707-Y713 PolarHBondContact OD1-OH 3.44Å; D707-Y713 PolarHBondContact OD2-OH 3.47Å; C711-Y713 WeakPolarHBondContact O-CD1 3.45Å; Y713-L721 HydrophobicContact CD2-CD1 4.31Å; Y713-L721 HydrophobicContact CD2-CD2 4.46Å; Y713-L721 HydrophobicContact CG-CD1 4.44Å; Y713-F722 CarbonylContact C-O 3.55Å; Y713-F722 VanDerWaalsContact CA-O 3.25Å; Y713-F722 WeakPolarHBondContact CA-O 3.09Å
714	E	96	Very high	95.7	Very high	86 Å²	86	59.1 Å²	59.1	40%	0.402	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.5	176.2	-176.2	-167.7	164.5	0	0	108.5	R716 L721 F722	E714-R716 PolarHBondContact O-N 3.14Å; E714-R716 IonicContact OE1-CZ 3.61Å; E714-R716 IonicContact OE1-NE 3.44Å; E714-R716 PolarHBondContact OE1-NE 3.18Å; E714-R716 VanDerWaalsContact OE1-NE 3.13Å; E714-R716 IonicContact OE1-NH1 2.77Å; E714-R716 PolarHBondContact OE1-NH1 3.48Å; E714-R716 IonicContact OE1-NH2 2.81Å; E714-R716 PolarHBondContact OE1-NH2 2.76Å; E714-R716 IonicContact OE2-CZ 3.11Å; E714-R716 IonicContact OE2-NE 3.54Å; E714-R716 PolarHBondContact OE2-NE 3.23Å; E714-R716 IonicContact OE2-NH2 2.66Å; E714-R716 PolarHBondContact OE2-NH2 2.68Å; E714-L721 WeakPolarHBondContact O-CA 3.43Å; E714-F722 PolarHBondContact N-O 2.65Å; E714-F722 PolarHBondContact O-N 3.04Å
715	Q	94.6	Very high	95.6	Very high	92 Å²	92	56.6 Å²	56.6	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.5	177.4	-176.4	158.3	-13.3	0	0	110.4	E717 R718 L721	Q715-E717 VanDerWaalsContact CG-O 3.23Å; Q715-E717 WeakPolarHBondContact CG-O 3.33Å; Q715-E717 PolarHBondContact NE2-O 3.12Å; Q715-E717 VanDerWaalsContact NE2-O 3.08Å; Q715-R718 PolarHBondContact NE2-O 3.39Å; Q715-L721 HydrophobicContact CB-CD2 3.65Å; Q715-L721 HydrophobicContact CG-CD2 3.83Å
716	R	89.3	Confident	95.3	Very high	147 Å²	147	58 Å²	58	56%	0.555	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	-38.5	-173.1	-69.1	-69.7	-173.9	167.8	-10.2	113.4	E714 L720 F722	E714-R716 PolarHBondContact O-N 3.14Å; E714-R716 IonicContact OE1-CZ 3.61Å; E714-R716 IonicContact OE1-NE 3.44Å; E714-R716 PolarHBondContact OE1-NE 3.18Å; E714-R716 VanDerWaalsContact OE1-NE 3.13Å; E714-R716 IonicContact OE1-NH1 2.77Å; E714-R716 PolarHBondContact OE1-NH1 3.48Å; E714-R716 IonicContact OE1-NH2 2.81Å; E714-R716 PolarHBondContact OE1-NH2 2.76Å; E714-R716 IonicContact OE2-CZ 3.11Å; E714-R716 IonicContact OE2-NE 3.54Å; E714-R716 PolarHBondContact OE2-NE 3.23Å; E714-R716 IonicContact OE2-NH2 2.66Å; E714-R716 PolarHBondContact OE2-NH2 2.68Å; R716-L720 HydrophobicContact CB-CD2 4.12Å; R716-L720 HydrophobicContact CB-CG 4.33Å; R716-L720 PolarHBondContact N-O 3.44Å; R716-F722 HydrophobicContact CG-CB 3.84Å
717	E	91.5	Very high	94.8	Very high	72 Å²	72	61 Å²	61	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	172.5	172.4	-52.8	167.1	-176.5	0	0	107.8	R679 Q715 F719 L720	R679-E717 IonicContact CZ-OE1 2.62Å; R679-E717 IonicContact CZ-OE2 3.97Å; R679-E717 IonicContact NH1-OE1 2.87Å; R679-E717 PolarHBondContact NH1-OE1 2.89Å; R679-E717 IonicContact NH1-OE2 3.22Å; R679-E717 PolarHBondContact NH1-OE2 3.32Å; R679-E717 VanDerWaalsContact NH1-OE2 3.11Å; R679-E717 IonicContact NH2-OE1 2.65Å; R679-E717 PolarHBondContact NH2-OE1 3.49Å; R679-E717 IonicContact NH2-OE2 2.72Å; R679-E717 PolarHBondContact NH2-OE2 3.32Å; Q715-E717 VanDerWaalsContact CG-O 3.23Å; Q715-E717 WeakPolarHBondContact CG-O 3.33Å; Q715-E717 PolarHBondContact NE2-O 3.12Å; Q715-E717 VanDerWaalsContact NE2-O 3.08Å; E717-F719 PolarHBondContact O-N 3.46Å; E717-L720 HydrophobicContact CB-CB 3.7Å; E717-L720 HydrophobicContact CG-CB 4Å; E717-L720 HydrophobicContact CG-CD2 3.86Å; E717-L720 PolarHBondContact N-O 3.17Å; E717-L720 PolarHBondContact O-N 3.27Å
718	R	91.1	Very high	94.1	Very high	140 Å²	140	60 Å²	60	53%	0.528	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-32.2	179.9	-173.7	177.3	178.6	160.4	-2	113.7	D675 Q715	D675-R718 WeakPolarHBondContact O-CD 3.46Å; Q715-R718 PolarHBondContact NE2-O 3.39Å
719	F	95.8	Very high	93.3	Very high	17 Å²	17	67.2 Å²	67.2	8%	0.075	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	16.2	-177.3	-56.8	-63.5	0	0	0	113.4	K677 P678 P695 M699 E717 E739 V740	K677-F719 VanDerWaalsContact C-CE2 3.42Å; P678-F719 HydrophobicContact CG-CD2 4.26Å; P678-F719 HydrophobicContact CG-CE2 4.3Å; P678-F719 HydrophobicContact CG-CG 4.39Å; P678-F719 HydrophobicContact CG-CZ 4.46Å; P695-F719 HydrophobicContact CB-CD1 3.8Å; P695-F719 HydrophobicContact CB-CE1 3.39Å; P695-F719 HydrophobicContact CB-CZ 4.03Å; M699-F719 HydrophobicContact CG-CD1 4.03Å; E717-F719 PolarHBondContact O-N 3.46Å; F719-E739 CarbonylContact O-C 3.54Å; F719-E739 VanDerWaalsContact O-CA 3.29Å; F719-E739 WeakPolarHBondContact O-CA 3.43Å; F719-V740 HydrophobicContact CB-CB 4.26Å; F719-V740 PolarHBondContact O-N 2.81Å
720	L	94.9	Very high	92.5	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.4	-177.7	-176.8	69.6	0	0	0	111.2	R716 E717 E737 M738 E739	R716-L720 HydrophobicContact CB-CD2 4.12Å; R716-L720 HydrophobicContact CB-CG 4.33Å; R716-L720 PolarHBondContact N-O 3.44Å; E717-L720 HydrophobicContact CB-CB 3.7Å; E717-L720 HydrophobicContact CG-CB 4Å; E717-L720 HydrophobicContact CG-CD2 3.86Å; E717-L720 PolarHBondContact N-O 3.17Å; E717-L720 PolarHBondContact O-N 3.27Å; L720-E737 HydrophobicContact CD1-CB 4.01Å; L720-E737 HydrophobicContact CD1-CG 4.26Å; L720-M738 WeakPolarHBondContact CA-O 3.21Å; L720-E739 HydrophobicContact CB-CG 4.48Å; L720-E739 HydrophobicContact CD1-CB 3.68Å; L720-E739 HydrophobicContact CD1-CG 3.91Å
721	L	96.7	Very high	91.4	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.3	168.6	-54.8	-177.2	0	0	0	110.5	M699 I702 R703 L706 Y713 E714 Q715 E737 M738	M699-L721 HydrophobicContact CE-CD1 4.4Å; M699-L721 HydrophobicContact CE-CD2 3.6Å; M699-L721 HydrophobicContact CE-CG 3.72Å; I702-L721 HydrophobicContact CG2-CD1 3.67Å; R703-L721 HydrophobicContact CG-CD1 3.98Å; L706-L721 HydrophobicContact CD1-CD1 3.66Å; Y713-L721 HydrophobicContact CD2-CD1 4.31Å; Y713-L721 HydrophobicContact CD2-CD2 4.46Å; Y713-L721 HydrophobicContact CG-CD1 4.44Å; E714-L721 WeakPolarHBondContact O-CA 3.43Å; Q715-L721 HydrophobicContact CB-CD2 3.65Å; Q715-L721 HydrophobicContact CG-CD2 3.83Å; L721-E737 CarbonylContact O-C 3.18Å; L721-E737 WeakPolarHBondContact O-CA 3.21Å; L721-M738 HydrophobicContact CB-CB 4.5Å; L721-M738 PolarHBondContact N-O 3.39Å; L721-M738 PolarHBondContact O-N 2.97Å
722	F	96.3	Very high	90.8	Very high	41 Å²	41	76.6 Å²	76.6	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.8	161.7	178.7	-94.3	0	0	0	108.4	Y713 E714 R716 V724 Q735 I756	Y713-F722 CarbonylContact C-O 3.55Å; Y713-F722 VanDerWaalsContact CA-O 3.25Å; Y713-F722 WeakPolarHBondContact CA-O 3.09Å; E714-F722 PolarHBondContact N-O 2.65Å; E714-F722 PolarHBondContact O-N 3.04Å; R716-F722 HydrophobicContact CG-CB 3.84Å; F722-V724 HydrophobicContact CD1-CG2 4.35Å; F722-V724 HydrophobicContact CE1-CG2 3.79Å; F722-Q735 HydrophobicContact CE2-CB 4.25Å; F722-Q735 HydrophobicContact CZ-CB 3.78Å; F722-Q735 HydrophobicContact CZ-CG 4.33Å; F722-I756 HydrophobicContact CE2-CB 4.3Å; F722-I756 HydrophobicContact CE2-CG1 4.24Å; F722-I756 HydrophobicContact CE2-CG2 4.19Å
723	C	97.1	Very high	90.5	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.2	-170.5	-54.1	0	0	0	0	111.7	L706 D712 Q735 W736	L706-C723 HydrophobicContact CD2-CB 4.44Å; D712-C723 CarbonylContact O-C 3.5Å; D712-C723 WeakPolarHBondContact O-CA 3.36Å; C723-Q735 VanDerWaalsContact O-CA 3.29Å; C723-Q735 WeakPolarHBondContact O-CA 3.27Å; C723-W736 HydrophobicContact CB-CD2 3.78Å; C723-W736 VanDerWaalsContact CB-CE2 3.43Å; C723-W736 HydrophobicContact CB-CE3 4.1Å; C723-W736 HydrophobicContact CB-CG 4.37Å; C723-W736 HydrophobicContact CB-CH2 3.81Å; C723-W736 HydrophobicContact CB-CZ2 3.46Å; C723-W736 VanDerWaalsContact CB-CZ2 3.46Å; C723-W736 HydrophobicContact CB-CZ3 4.11Å; C723-W736 PolarHBondContact N-O 3.24Å; C723-W736 PolarHBondContact O-N 2.69Å
724	V	96.6	Very high	90.4	Very high	31 Å²	31	69.9 Å²	69.9	19%	0.188	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140	179.2	-173.9	0	0	0	0	110.2	C711 D712 F722 L733 V734 Q735	C711-V724 WeakPolarHBondContact CA-O 3.03Å; D712-V724 HydrophobicContact CB-CB 4.43Å; D712-V724 PolarHBondContact N-O 3.19Å; D712-V724 PolarHBondContact O-N 3.34Å; F722-V724 HydrophobicContact CD1-CG2 4.35Å; F722-V724 HydrophobicContact CE1-CG2 3.79Å; V724-L733 HydrophobicContact CG1-CD1 3.67Å; V724-V734 WeakPolarHBondContact CA-O 3.41Å; V724-Q735 HydrophobicContact CG1-CG 4.27Å; V724-Q735 HydrophobicContact CG2-CG 4.09Å
725	H	95.8	Very high	90.3	Very high	61 Å²	61	67.2 Å²	67.2	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	148.9	176.3	170.1	-84.7	0	0	0	110.6	L733 V734 W736 I766	H725-L733 WeakPolarHBondContact O-CA 3.22Å; H725-V734 HydrophobicContact CB-CG1 4.38Å; H725-V734 PolarHBondContact N-O 2.96Å; H725-V734 VanDerWaalsContact N-O 3.11Å; H725-V734 WeakPolarHBondContact O-CG1 3.28Å; H725-V734 PolarHBondContact O-N 3.27Å; H725-W736 HydrophobicContact CB-CH2 3.7Å; H725-W736 HydrophobicContact CB-CZ3 3.71Å; H725-I766 HydrophobicContact CB-CG1 4.27Å
726	G	91.9	Very high	90.3	Very high	39 Å²	39	62.9 Å²	62.9	40%	0.402	31%	0.305	S	S	.	.	S	Bend	trans	95	-179.1	176.8	0	0	0	0	0	114.6
727	D	86.6	Confident	90.5	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	28%	0.282	S	S	.	.			trans	-121.2	130.4	-178.3	-178.6	0	0	0	0	110.4	R729 Q730 D731 N732 L733	D727-R729 PolarHBondContact O-N 2.99Å; D727-R729 WeakPolarHBondContact OD1-CB 3.37Å; D727-R729 WeakPolarHBondContact OD1-CG 3.48Å; D727-R729 PolarHBondContact OD1-N 3.32Å; D727-Q730 HydrophobicContact CB-CG 4.35Å; D727-Q730 PolarHBondContact O-N 3.16Å; D727-Q730 VanDerWaalsContact O-N 3.08Å; D727-D731 PolarHBondContact O-N 2.87Å; D727-N732 PolarHBondContact N-OD1 3.43Å; D727-N732 PolarHBondContact O-OD1 2.88Å; D727-N732 VanDerWaalsContact O-OD1 3.09Å; D727-L733 PolarHBondContact O-N 3.04Å
728	A	82.2	Confident	90.7	Very high	73 Å²	73	53.1 Å²	53.1	60%	0.603	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.7	176.2	0	0	0	0	0	112.4	Q730 D731 L733	A728-Q730 PolarHBondContact O-N 3.22Å; A728-D731 PolarHBondContact O-N 2.98Å; A728-L733 HydrophobicContact CB-CB 4.4Å; A728-L733 HydrophobicContact CB-CD2 3.95Å
729	R	79.8	Confident	90.8	Very high	230 Å²	230	46.6 Å²	46.6	87%	0.868	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-71.1	-19.5	178.1	-58.5	171.7	178.3	-169.2	0.8	113.2	D727	D727-R729 PolarHBondContact O-N 2.99Å; D727-R729 WeakPolarHBondContact OD1-CB 3.37Å; D727-R729 WeakPolarHBondContact OD1-CG 3.48Å; D727-R729 PolarHBondContact OD1-N 3.32Å
730	Q	78.6	Confident	90.8	Very high	135 Å²	135	45.8 Å²	45.8	63%	0.631	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-108.1	7.7	-178.9	-59.4	-175.7	14.1	0	0	112.7	D727 A728 N732	D727-Q730 HydrophobicContact CB-CG 4.35Å; D727-Q730 PolarHBondContact O-N 3.16Å; D727-Q730 VanDerWaalsContact O-N 3.08Å; A728-Q730 PolarHBondContact O-N 3.22Å; Q730-N732 PolarHBondContact O-N 3.44Å; Q730-N732 VanDerWaalsContact O-N 3.09Å; Q730-N732 PolarHBondContact OE1-ND2 3.15Å
731	D	73.6	Confident	90.6	Very high	127 Å²	127	45.7 Å²	45.7	68%	0.679	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	25.5	-176.1	-154.8	29	0	0	0	114.2	D727 A728	D727-D731 PolarHBondContact O-N 2.87Å; A728-D731 PolarHBondContact O-N 2.98Å
732	N	85.1	Confident	90.3	Very high	54 Å²	54	50.6 Å²	50.6	29%	0.289	26%	0.259	S	S	.	.			trans	-116.4	3	-179.6	69.2	13.2	0	0	0	113.6	D727 Q730 V734	D727-N732 PolarHBondContact N-OD1 3.43Å; D727-N732 PolarHBondContact O-OD1 2.88Å; D727-N732 VanDerWaalsContact O-OD1 3.09Å; Q730-N732 PolarHBondContact O-N 3.44Å; Q730-N732 VanDerWaalsContact O-N 3.09Å; Q730-N732 PolarHBondContact OE1-ND2 3.15Å; N732-V734 PolarHBondContact O-N 3.23Å
733	L	91.3	Very high	89.7	Confident	59 Å²	59	48.7 Å²	48.7	31%	0.309	25%	0.25	S	S	.	.			trans	-61.4	126.8	169.6	179.5	66.4	0	0	0	110.4	V724 H725 D727 A728 G758	V724-L733 HydrophobicContact CG1-CD1 3.67Å; H725-L733 WeakPolarHBondContact O-CA 3.22Å; D727-L733 PolarHBondContact O-N 3.04Å; A728-L733 HydrophobicContact CB-CB 4.4Å; A728-L733 HydrophobicContact CB-CD2 3.95Å; L733-G758 WeakPolarHBondContact O-CA 3.4Å
734	V	93.4	Very high	88.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.6	179.4	56.8	0	0	0	0	110.3	V724 H725 N732 W736 S757 F763 I766	V724-V734 WeakPolarHBondContact CA-O 3.41Å; H725-V734 HydrophobicContact CB-CG1 4.38Å; H725-V734 PolarHBondContact N-O 2.96Å; H725-V734 VanDerWaalsContact N-O 3.11Å; H725-V734 WeakPolarHBondContact O-CG1 3.28Å; H725-V734 PolarHBondContact O-N 3.27Å; N732-V734 PolarHBondContact O-N 3.23Å; V734-W736 HydrophobicContact CG1-CE3 4.15Å; V734-W736 HydrophobicContact CG1-CZ3 3.93Å; V734-W736 HydrophobicContact CG2-CE3 4.14Å; V734-S757 WeakPolarHBondContact CG2-O 3.42Å; V734-F763 HydrophobicContact CG2-CB 3.73Å; V734-F763 HydrophobicContact CG2-CD2 4.01Å; V734-F763 HydrophobicContact CG2-CG 4.33Å; V734-I766 HydrophobicContact CG1-CG2 3.86Å
735	Q	94.6	Very high	87.2	Confident	30 Å²	30	62.1 Å²	62.1	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135	174.5	-48.3	-174.6	-77.7	0	0	109.2	F722 C723 V724 I756 S757	F722-Q735 HydrophobicContact CE2-CB 4.25Å; F722-Q735 HydrophobicContact CZ-CB 3.78Å; F722-Q735 HydrophobicContact CZ-CG 4.33Å; C723-Q735 VanDerWaalsContact O-CA 3.29Å; C723-Q735 WeakPolarHBondContact O-CA 3.27Å; V724-Q735 HydrophobicContact CG1-CG 4.27Å; V724-Q735 HydrophobicContact CG2-CG 4.09Å; Q735-I756 WeakPolarHBondContact O-CA 3.35Å; Q735-I756 PolarHBondContact O-N 3.02Å; Q735-S757 VanDerWaalsContact CB-OG 3.31Å; Q735-S757 WeakPolarHBondContact CB-OG 3.02Å; Q735-S757 WeakPolarHBondContact CG-OG 3.48Å; Q735-S757 PolarHBondContact N-O 3.21Å; Q735-S757 VanDerWaalsContact N-O 3.1Å; Q735-S757 PolarHBondContact O-N 3.39Å; Q735-S757 VanDerWaalsContact O-N 3.07Å; Q735-S757 PolarHBondContact OE1-OG 3.15Å
736	W	94.7	Very high	85.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.9	-176.6	71.2	101.3	0	0	0	112.7	L706 C711 C723 H725 V734 M738 K754 F763 I766 I770	L706-W736 HydrophobicContact CD2-CZ2 3.92Å; C711-W736 HydrophobicContact CB-CH2 4.28Å; C723-W736 HydrophobicContact CB-CD2 3.78Å; C723-W736 VanDerWaalsContact CB-CE2 3.43Å; C723-W736 HydrophobicContact CB-CE3 4.1Å; C723-W736 HydrophobicContact CB-CG 4.37Å; C723-W736 HydrophobicContact CB-CH2 3.81Å; C723-W736 HydrophobicContact CB-CZ2 3.46Å; C723-W736 VanDerWaalsContact CB-CZ2 3.46Å; C723-W736 HydrophobicContact CB-CZ3 4.11Å; C723-W736 PolarHBondContact N-O 3.24Å; C723-W736 PolarHBondContact O-N 2.69Å; H725-W736 HydrophobicContact CB-CH2 3.7Å; H725-W736 HydrophobicContact CB-CZ3 3.71Å; V734-W736 HydrophobicContact CG1-CE3 4.15Å; V734-W736 HydrophobicContact CG1-CZ3 3.93Å; V734-W736 HydrophobicContact CG2-CE3 4.14Å; W736-M738 VanDerWaalsContact NE1-CG 3.29Å; W736-M738 PolarHBondContact NE1-SD 3.1Å; W736-M738 VanDerWaalsContact NE1-SD 3.44Å; W736-K754 CarbonylContact C-O 3.54Å; W736-K754 VanDerWaalsContact CA-O 3.27Å; W736-K754 WeakPolarHBondContact CA-O 3.43Å; W736-K754 VanDerWaalsContact CB-O 3.29Å; W736-K754 WeakPolarHBondContact CB-O 3.45Å; W736-F763 HydrophobicContact CB-CD2 3.94Å; W736-F763 HydrophobicContact CB-CE2 3.52Å; W736-F763 HydrophobicContact CD2-CE2 4.45Å; W736-F763 HydrophobicContact CG-CD2 4.18Å; W736-F763 AromaticContact CG-CE2 3.71Å; W736-F763 HydrophobicContact CG-CE2 3.71Å; W736-I766 HydrophobicContact CH2-CG1 4.01Å; W736-I766 HydrophobicContact CH2-CG2 4.21Å; W736-I766 HydrophobicContact CZ2-CG1 4.36Å; W736-I766 HydrophobicContact CZ3-CG2 4.23Å; W736-I770 HydrophobicContact CH2-CD1 4.45Å; W736-I770 HydrophobicContact CZ2-CD1 3.63Å
737	E	93.9	Very high	85.3	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.065	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.7	167.6	-72	-178.6	148.7	0	0	110.3	K63 L720 L721 F753 K754 I756	K63-E737 WeakPolarHBondContact CD-OE1 3.41Å; K63-E737 WeakPolarHBondContact CE-OE1 3.48Å; K63-E737 IonicContact NZ-OE1 3.57Å; K63-E737 PolarHBondContact NZ-OE1 2.9Å; K63-E737 IonicContact NZ-OE2 3.62Å; K63-E737 PolarHBondContact NZ-OE2 3.04Å; L720-E737 HydrophobicContact CD1-CB 4.01Å; L720-E737 HydrophobicContact CD1-CG 4.26Å; L721-E737 CarbonylContact O-C 3.18Å; L721-E737 WeakPolarHBondContact O-CA 3.21Å; E737-F753 WeakPolarHBondContact O-CA 3.49Å; E737-K754 HydrophobicContact CB-CB 4.38Å; E737-K754 PolarHBondContact N-O 2.78Å; E737-K754 PolarHBondContact O-N 3.4Å; E737-I756 HydrophobicContact CG-CD1 4.02Å; E737-I756 HydrophobicContact CG-CG1 4.06Å
738	M	94.5	Very high	85.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.6	164.7	-69.3	-174.1	61.8	0	0	109.6	I702 L706 L720 L721 W736 V751 R752 F753 I770	I702-M738 HydrophobicContact CD1-CE 4.48Å; I702-M738 HydrophobicContact CG1-CE 4.18Å; I702-M738 HydrophobicContact CG2-CE 3.59Å; I702-M738 HydrophobicContact CG2-SD 4.22Å; L706-M738 HydrophobicContact CD1-SD 4.25Å; L706-M738 HydrophobicContact CD2-SD 4.04Å; L706-M738 HydrophobicContact CG-SD 4.47Å; L720-M738 WeakPolarHBondContact CA-O 3.21Å; L721-M738 HydrophobicContact CB-CB 4.5Å; L721-M738 PolarHBondContact N-O 3.39Å; L721-M738 PolarHBondContact O-N 2.97Å; W736-M738 VanDerWaalsContact NE1-CG 3.29Å; W736-M738 PolarHBondContact NE1-SD 3.1Å; W736-M738 VanDerWaalsContact NE1-SD 3.44Å; M738-V751 HydrophobicContact CE-CG1 3.76Å; M738-R752 WeakPolarHBondContact CA-O 3.1Å; M738-F753 HydrophobicContact CE-CD1 4.2Å; M738-F753 HydrophobicContact CE-CE1 3.44Å; M738-F753 VanDerWaalsContact CE-CE1 3.44Å; M738-F753 HydrophobicContact CE-CE2 4.43Å; M738-F753 HydrophobicContact CE-CZ 3.58Å; M738-F753 HydrophobicContact CG-CD1 3.93Å; M738-F753 HydrophobicContact CG-CE1 4.11Å; M738-F753 HydrophobicContact SD-CD1 4.12Å; M738-F753 HydrophobicContact SD-CE1 3.71Å; M738-F753 HydrophobicContact SD-CZ 4.45Å; M738-I770 HydrophobicContact CE-CG2 3.96Å; M738-I770 HydrophobicContact SD-CG2 4.4Å
739	E	94.4	Very high	85.9	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.019	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	-175.8	-164.4	-178.4	165.4	0	0	111.3	R679 F719 L720 C741 V751 R752	R679-E739 IonicContact CZ-OE1 3.43Å; R679-E739 IonicContact NE-OE1 3.25Å; R679-E739 PolarHBondContact NE-OE1 3.25Å; R679-E739 IonicContact NH2-OE1 3.29Å; R679-E739 PolarHBondContact NH2-OE1 3.03Å; R679-E739 IonicContact NH2-OE2 3.86Å; R679-E739 PolarHBondContact NH2-OE2 2.76Å; R679-E739 VanDerWaalsContact NH2-OE2 3.12Å; F719-E739 CarbonylContact O-C 3.54Å; F719-E739 VanDerWaalsContact O-CA 3.29Å; F719-E739 WeakPolarHBondContact O-CA 3.43Å; L720-E739 HydrophobicContact CB-CG 4.48Å; L720-E739 HydrophobicContact CD1-CB 3.68Å; L720-E739 HydrophobicContact CD1-CG 3.91Å; E739-C741 VanDerWaalsContact CD-SG 3.58Å; E739-C741 VanDerWaalsContact CG-SG 3.59Å; E739-V751 WeakPolarHBondContact O-CA 3.47Å; E739-R752 HydrophobicContact CB-CB 4.33Å; E739-R752 PolarHBondContact N-O 3.04Å; E739-R752 PolarHBondContact O-N 3.26Å
740	V	94.6	Very high	86.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.8	166.2	178.5	0	0	0	0	108.1	P678 P695 M698 M699 I702 F719 N749	P678-V740 WeakPolarHBondContact CB-O 3.42Å; P678-V740 HydrophobicContact CG-CG1 4.32Å; P695-V740 HydrophobicContact CB-CG1 4.06Å; M698-V740 HydrophobicContact CB-CG2 4.06Å; M698-V740 HydrophobicContact CE-CG1 4.29Å; M698-V740 HydrophobicContact SD-CG1 3.83Å; M699-V740 HydrophobicContact CG-CG2 3.99Å; M699-V740 HydrophobicContact SD-CB 4.48Å; M699-V740 HydrophobicContact SD-CG2 3.73Å; I702-V740 HydrophobicContact CD1-CG2 3.67Å; F719-V740 HydrophobicContact CB-CB 4.26Å; F719-V740 PolarHBondContact O-N 2.81Å; V740-N749 HydrophobicContact CG1-CB 4.03Å
741	C	91.8	Very high	87.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	-173.6	-60.2	0	0	0	0	110.3	R679 L681 F683 E739 N749 G750	R679-C741 CarbonylContact O-C 3.54Å; R679-C741 WeakPolarHBondContact O-CA 3.16Å; L681-C741 HydrophobicContact CB-CB 4.44Å; F683-C741 HydrophobicContact CD1-CB 4.21Å; F683-C741 HydrophobicContact CE1-CB 3.47Å; F683-C741 VanDerWaalsContact CE1-CB 3.47Å; F683-C741 HydrophobicContact CZ-CB 4.12Å; E739-C741 VanDerWaalsContact CD-SG 3.58Å; E739-C741 VanDerWaalsContact CG-SG 3.59Å; C741-N749 CarbonylContact O-C 3.18Å; C741-N749 VanDerWaalsContact O-CA 3.31Å; C741-N749 WeakPolarHBondContact O-CA 3.44Å; C741-G750 PolarHBondContact N-O 3.08Å; C741-G750 PolarHBondContact O-N 3.48Å
742	K	89.9	Confident	87.9	Confident	103 Å²	103	41.4 Å²	41.4	45%	0.448	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.4	170.2	-173.6	177.8	-178.5	-177.6	0	109.7	P678 R679 L681 P744	P678-K742 HydrophobicContact CB-CB 4.32Å; R679-K742 PolarHBondContact O-N 2.89Å; L681-K742 PolarHBondContact N-O 2.72Å; K742-P744 WeakPolarHBondContact O-CD 3.28Å
743	L	83.4	Confident	88.1	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-84.9	119.7	177.5	-60.3	-175.7	0	0	0	110.7	F683 W685 T690 R745 L746 L748	F683-L743 HydrophobicContact CD1-CD2 4.4Å; F683-L743 HydrophobicContact CE1-CD2 3.47Å; F683-L743 VanDerWaalsContact CE1-CD2 3.47Å; F683-L743 HydrophobicContact CZ-CD2 3.73Å; W685-L743 HydrophobicContact CB-CD1 4.07Å; W685-L743 HydrophobicContact CB-CD2 3.64Å; W685-L743 HydrophobicContact CD2-CD1 3.87Å; W685-L743 HydrophobicContact CE3-CD1 4.08Å; W685-L743 HydrophobicContact CG-CD1 3.85Å; W685-L743 HydrophobicContact CG-CD2 3.77Å; W685-L743 HydrophobicContact CG-CG 4.46Å; T690-L743 HydrophobicContact CG2-CD1 3.45Å; T690-L743 VanDerWaalsContact CG2-CD1 3.45Å; L743-R745 PolarHBondContact O-N 2.68Å; L743-L746 HydrophobicContact CB-CB 4.26Å; L743-L746 HydrophobicContact CB-CD1 4.37Å; L743-L746 HydrophobicContact CD1-CD1 3.98Å; L743-L746 PolarHBondContact O-N 3.21Å; L743-L748 PolarHBondContact N-O 2.87Å
744	P	71.4	Confident	87.9	Confident	63 Å²	63	38.3 Å²	38.3	41%	0.409	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	139.8	173.9	-24.9	34.7	0	0	0	111.2	K742 L746	K742-P744 WeakPolarHBondContact O-CD 3.28Å; P744-L746 PolarHBondContact O-N 2.81Å; P744-L746 VanDerWaalsContact O-N 3.1Å
745	R	69.9	Low	87.8	Confident	250 Å²	250	39.8 Å²	39.8	94%	0.943	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	-15	177.3	-48.3	174.6	-179.5	177.6	-1.6	117.4	L743	L743-R745 PolarHBondContact O-N 2.68Å
746	L	69.3	Low	87.5	Confident	77 Å²	77	38.8 Å²	38.8	40%	0.403	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-19.2	179.7	-66.7	177.8	0	0	0	114.3	W685 L743 P744 L748	W685-L746 HydrophobicContact CH2-CD1 3.7Å; W685-L746 HydrophobicContact CZ2-CD1 3.63Å; W685-L746 HydrophobicContact CZ3-CD1 4.16Å; L743-L746 HydrophobicContact CB-CB 4.26Å; L743-L746 HydrophobicContact CB-CD1 4.37Å; L743-L746 HydrophobicContact CD1-CD1 3.98Å; L743-L746 PolarHBondContact O-N 3.21Å; P744-L746 PolarHBondContact O-N 2.81Å; P744-L746 VanDerWaalsContact O-N 3.1Å; L746-L748 HydrophobicContact CB-CB 4.32Å; L746-L748 HydrophobicContact CB-CD1 4.48Å; L746-L748 HydrophobicContact CB-CG 4.34Å; L746-L748 PolarHBondContact O-N 3.09Å
747	S	79.4	Confident	87.2	Confident	107 Å²	107	39.4 Å²	39.4	75%	0.748	19%	0.192	S	C	*	.			trans	57.5	22.3	-171.7	-58.2	0	0	0	0	114.1
748	L	88.8	Confident	86.8	Confident	54 Å²	54	40.1 Å²	40.1	28%	0.283	20%	0.203	S	C	.	.			trans	-111.5	164.9	175.3	-61.4	177.7	0	0	0	110	T690 L743 L746	T690-L748 HydrophobicContact CG2-CB 3.84Å; T690-L748 HydrophobicContact CG2-CD1 3.77Å; T690-L748 HydrophobicContact CG2-CG 4.46Å; L743-L748 PolarHBondContact N-O 2.87Å; L746-L748 HydrophobicContact CB-CB 4.32Å; L746-L748 HydrophobicContact CB-CD1 4.48Å; L746-L748 HydrophobicContact CB-CG 4.34Å; L746-L748 PolarHBondContact O-N 3.09Å
749	N	91.6	Very high	86.3	Confident	23 Å²	23	42 Å²	42	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149	171.5	-57	-61.9	0	0	0	109.6	T690 S691 P695 M698 V740 C741	T690-N749 CarbonylContact C-O 3.57Å; T690-N749 WeakPolarHBondContact CA-O 3.47Å; S691-N749 PolarHBondContact N-O 3.5Å; S691-N749 PolarHBondContact O-N 3.09Å; P695-N749 WeakPolarHBondContact CG-ND2 3.35Å; M698-N749 HydrophobicContact CE-CB 4.28Å; M698-N749 HydrophobicContact SD-CB 3.6Å; M698-N749 VanDerWaalsContact SD-CB 3.6Å; V740-N749 HydrophobicContact CG1-CB 4.03Å; C741-N749 CarbonylContact O-C 3.18Å; C741-N749 VanDerWaalsContact O-CA 3.31Å; C741-N749 WeakPolarHBondContact O-CA 3.44Å
750	G	91.3	Very high	85.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.9	177.1	0	0	0	0	0	112	T689 C741	T689-G750 CarbonylContact O-C 3.37Å; T689-G750 VanDerWaalsContact O-CA 3.22Å; T689-G750 WeakPolarHBondContact O-CA 3.18Å; C741-G750 PolarHBondContact N-O 3.08Å; C741-G750 PolarHBondContact O-N 3.48Å
751	V	93	Very high	84.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.7	174.3	-168.1	0	0	0	0	109.6	T689 M698 I702 M738 E739 F753 L774 L776	T689-V751 PolarHBondContact O-N 3.27Å; M698-V751 HydrophobicContact CE-CG2 3.93Å; I702-V751 HydrophobicContact CD1-CG1 3.94Å; I702-V751 HydrophobicContact CD1-CG2 3.81Å; I702-V751 HydrophobicContact CG1-CG2 4.42Å; M738-V751 HydrophobicContact CE-CG1 3.76Å; E739-V751 WeakPolarHBondContact O-CA 3.47Å; V751-F753 HydrophobicContact CB-CE2 4.19Å; V751-F753 HydrophobicContact CG1-CD2 4.36Å; V751-F753 HydrophobicContact CG1-CE2 3.84Å; V751-F753 HydrophobicContact CG1-CZ 4.22Å; V751-L774 HydrophobicContact CG2-CD1 4.47Å; V751-L776 HydrophobicContact CG2-CD1 3.62Å
752	R	89	Confident	84.6	Confident	28 Å²	28	46.3 Å²	46.3	11%	0.106	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.5	169.5	-177.3	-174.5	-175.7	-177.4	10.9	109.3	S139 F683 M738 E739	S139-R752 PolarHBondContact O-NH2 3.2Å; F683-R752 HydrophobicContact CB-CG 4.47Å; F683-R752 HydrophobicContact CD1-CB 4.5Å; F683-R752 HydrophobicContact CD2-CB 3.74Å; F683-R752 HydrophobicContact CD2-CG 3.7Å; F683-R752 HydrophobicContact CE1-CB 4.37Å; F683-R752 HydrophobicContact CE2-CB 3.58Å; F683-R752 HydrophobicContact CE2-CG 4.09Å; F683-R752 HydrophobicContact CG-CB 4.21Å; F683-R752 HydrophobicContact CG-CG 4.05Å; F683-R752 HydrophobicContact CZ-CB 3.92Å; M738-R752 WeakPolarHBondContact CA-O 3.1Å; E739-R752 HydrophobicContact CB-CB 4.33Å; E739-R752 PolarHBondContact N-O 3.04Å; E739-R752 PolarHBondContact O-N 3.26Å
753	F	90.6	Very high	84.6	Confident	32 Å²	32	41.4 Å²	41.4	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.1	167	-61.3	-108.9	0	0	0	108	T689 E737 M738 V751 F763 A767 I770 A771 L774	T689-F753 HydrophobicContact CG2-CE2 4.09Å; E737-F753 WeakPolarHBondContact O-CA 3.49Å; M738-F753 HydrophobicContact CE-CD1 4.2Å; M738-F753 HydrophobicContact CE-CE1 3.44Å; M738-F753 VanDerWaalsContact CE-CE1 3.44Å; M738-F753 HydrophobicContact CE-CE2 4.43Å; M738-F753 HydrophobicContact CE-CZ 3.58Å; M738-F753 HydrophobicContact CG-CD1 3.93Å; M738-F753 HydrophobicContact CG-CE1 4.11Å; M738-F753 HydrophobicContact SD-CD1 4.12Å; M738-F753 HydrophobicContact SD-CE1 3.71Å; M738-F753 HydrophobicContact SD-CZ 4.45Å; V751-F753 HydrophobicContact CB-CE2 4.19Å; V751-F753 HydrophobicContact CG1-CD2 4.36Å; V751-F753 HydrophobicContact CG1-CE2 3.84Å; V751-F753 HydrophobicContact CG1-CZ 4.22Å; F753-F763 HydrophobicContact CB-CE2 4.47Å; F753-F763 HydrophobicContact CB-CZ 3.91Å; F753-A767 HydrophobicContact CD1-CB 3.89Å; F753-A767 HydrophobicContact CE1-CB 4.32Å; F753-A767 HydrophobicContact CG-CB 4.46Å; F753-I770 HydrophobicContact CE1-CB 4.3Å; F753-I770 HydrophobicContact CE1-CG2 3.97Å; F753-I770 HydrophobicContact CZ-CG2 4.08Å; F753-A771 HydrophobicContact CE2-CB 4.33Å; F753-A771 HydrophobicContact CZ-CB 4.13Å; F753-L774 HydrophobicContact CZ-CD1 4.21Å
754	K	86.9	Confident	84.6	Confident	16 Å²	16	43.4 Å²	43.4	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	118.1	174.8	177.9	-179.1	177.4	178.2	0	110.7	W736 E737	W736-K754 CarbonylContact C-O 3.54Å; W736-K754 VanDerWaalsContact CA-O 3.27Å; W736-K754 WeakPolarHBondContact CA-O 3.43Å; W736-K754 VanDerWaalsContact CB-O 3.29Å; W736-K754 WeakPolarHBondContact CB-O 3.45Å; E737-K754 HydrophobicContact CB-CB 4.38Å; E737-K754 PolarHBondContact N-O 2.78Å; E737-K754 PolarHBondContact O-N 3.4Å
755	R	90.4	Very high	85.4	Confident	31 Å²	31	45.1 Å²	45.1	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.9	175.9	-163.5	174.9	64.7	77	4.7	111	E142 G758 S760 F763	E142-R755 IonicContact OE1-CZ 2.68Å; E142-R755 VanDerWaalsContact OE1-CZ 3.25Å; E142-R755 IonicContact OE1-NE 2.77Å; E142-R755 PolarHBondContact OE1-NE 2.75Å; E142-R755 IonicContact OE1-NH2 2.95Å; E142-R755 PolarHBondContact OE1-NH2 3.29Å; E142-R755 IonicContact OE2-CZ 3.6Å; E142-R755 VanDerWaalsContact OE2-CZ 3.29Å; E142-R755 IonicContact OE2-NE 3.12Å; E142-R755 PolarHBondContact OE2-NE 3.09Å; E142-R755 VanDerWaalsContact OE2-NE 3.08Å; E142-R755 IonicContact OE2-NH2 3.4Å; E142-R755 PolarHBondContact OE2-NH2 3.24Å; R755-G758 PolarHBondContact NH1-O 3.08Å; R755-S760 PolarHBondContact NE-OG 3.04Å; R755-F763 HydrophobicContact CB-CD1 3.9Å; R755-F763 HydrophobicContact CB-CD2 4.16Å; R755-F763 HydrophobicContact CB-CE1 4.03Å; R755-F763 HydrophobicContact CB-CE2 4.28Å; R755-F763 HydrophobicContact CB-CG 3.96Å; R755-F763 HydrophobicContact CB-CZ 4.21Å; R755-F763 HydrophobicContact CG-CB 4.05Å; R755-F763 HydrophobicContact CG-CD1 4.21Å; R755-F763 HydrophobicContact CG-CD2 4.18Å; R755-F763 HydrophobicContact CG-CG 3.87Å
756	I	89.1	Confident	86.5	Confident	9 Å²	9	33.6 Å²	33.6	5%	0.046	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-37.2	175.1	-58.3	-64.5	0	0	0	111	G66 K67 F722 Q735 E737	G66-I756 CarbonylContact C-O 3.52Å; G66-I756 WeakPolarHBondContact CA-O 3.42Å; K67-I756 PolarHBondContact N-O 3.22Å; F722-I756 HydrophobicContact CE2-CB 4.3Å; F722-I756 HydrophobicContact CE2-CG1 4.24Å; F722-I756 HydrophobicContact CE2-CG2 4.19Å; Q735-I756 WeakPolarHBondContact O-CA 3.35Å; Q735-I756 PolarHBondContact O-N 3.02Å; E737-I756 HydrophobicContact CG-CD1 4.02Å; E737-I756 HydrophobicContact CG-CG1 4.06Å
757	S	88.7	Confident	87.5	Confident	13 Å²	13	30 Å²	30	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	172.7	173.2	74.1	0	0	0	0	111.4	K67 V734 Q735	K67-S757 WeakPolarHBondContact O-CB 2.98Å; V734-S757 WeakPolarHBondContact CG2-O 3.42Å; Q735-S757 VanDerWaalsContact CB-OG 3.31Å; Q735-S757 WeakPolarHBondContact CB-OG 3.02Å; Q735-S757 WeakPolarHBondContact CG-OG 3.48Å; Q735-S757 PolarHBondContact N-O 3.21Å; Q735-S757 VanDerWaalsContact N-O 3.1Å; Q735-S757 PolarHBondContact O-N 3.39Å; Q735-S757 VanDerWaalsContact O-N 3.07Å; Q735-S757 PolarHBondContact OE1-OG 3.15Å
758	G	85.7	Confident	87.9	Confident	28 Å²	28	26.6 Å²	26.6	29%	0.289	15%	0.146	S	C	.	.	S	Bend	trans	87.6	168.6	-174.1	0	0	0	0	0	113.1	L733 R755	L733-G758 WeakPolarHBondContact O-CA 3.4Å; R755-G758 PolarHBondContact NH1-O 3.08Å
759	T	82.6	Confident	88	Confident	41 Å²	41	28.6 Å²	28.6	25%	0.252	15%	0.152	S	C	.	.			trans	-70.8	146.8	-178.4	65.5	0	0	0	0	111.6	I761 A762 F763	T759-I761 VanDerWaalsContact C-N 3.27Å; T759-I761 PolarHBondContact O-N 3.25Å; T759-A762 PolarHBondContact O-N 3.19Å; T759-A762 VanDerWaalsContact OG1-CB 3.28Å; T759-A762 WeakPolarHBondContact OG1-CB 3.47Å; T759-A762 PolarHBondContact OG1-N 3.08Å; T759-F763 PolarHBondContact O-N 3.28Å
760	S	78.9	Confident	88.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-34.4	177.9	-98.1	0	0	0	0	112.6	E142 F144 E185 R755 F763 K764	E142-S760 PolarHBondContact OE2-OG 2.9Å; F144-S760 VanDerWaalsContact CD1-CB 3.4Å; F144-S760 VanDerWaalsContact CD1-OG 3.26Å; F144-S760 WeakPolarHBondContact CD1-OG 3.4Å; F144-S760 VanDerWaalsContact CE1-C 3.46Å; F144-S760 VanDerWaalsContact CE1-CB 3.46Å; F144-S760 WeakPolarHBondContact CE1-O 3.46Å; F144-S760 VanDerWaalsContact CZ-O 3.29Å; F144-S760 WeakPolarHBondContact CZ-O 3.35Å; E185-S760 WeakPolarHBondContact CG-OG 3.31Å; E185-S760 WeakPolarHBondContact OE1-CB 3.44Å; R755-S760 PolarHBondContact NE-OG 3.04Å; S760-F763 PolarHBondContact O-N 2.93Å; S760-K764 PolarHBondContact O-N 2.83Å
761	I	81.2	Confident	88.1	Confident	78 Å²	78	28.3 Å²	28.3	40%	0.4	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-41.7	176.3	-169.6	59.9	0	0	0	112.6	T759 K764 N765	T759-I761 VanDerWaalsContact C-N 3.27Å; T759-I761 PolarHBondContact O-N 3.25Å; I761-K764 PolarHBondContact O-N 3.08Å; I761-N765 PolarHBondContact O-N 3.04Å; I761-N765 VanDerWaalsContact O-N 3.12Å; I761-N765 PolarHBondContact O-ND2 3.2Å; I761-N765 PolarHBondContact O-OD1 3.3Å
762	A	85.9	Confident	87.9	Confident	14 Å²	14	32.9 Å²	32.9	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-44.2	174.5	0	0	0	0	0	111.2	T759 N765 I766	T759-A762 PolarHBondContact O-N 3.19Å; T759-A762 VanDerWaalsContact OG1-CB 3.28Å; T759-A762 WeakPolarHBondContact OG1-CB 3.47Å; T759-A762 PolarHBondContact OG1-N 3.08Å; A762-N765 PolarHBondContact O-N 3.2Å; A762-I766 PolarHBondContact O-N 3.13Å
763	F	89.3	Confident	88.2	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-48.3	175	176.1	-114.6	0	0	0	112.8	D145 V148 V734 W736 F753 R755 T759 S760 N765 I766 A767	D145-F763 WeakPolarHBondContact OD1-CE1 3.39Å; V148-F763 HydrophobicContact CG2-CD1 4.33Å; V148-F763 HydrophobicContact CG2-CE1 4.29Å; V734-F763 HydrophobicContact CG2-CB 3.73Å; V734-F763 HydrophobicContact CG2-CD2 4.01Å; V734-F763 HydrophobicContact CG2-CG 4.33Å; W736-F763 HydrophobicContact CB-CD2 3.94Å; W736-F763 HydrophobicContact CB-CE2 3.52Å; W736-F763 HydrophobicContact CD2-CE2 4.45Å; W736-F763 HydrophobicContact CG-CD2 4.18Å; W736-F763 AromaticContact CG-CE2 3.71Å; W736-F763 HydrophobicContact CG-CE2 3.71Å; F753-F763 HydrophobicContact CB-CE2 4.47Å; F753-F763 HydrophobicContact CB-CZ 3.91Å; R755-F763 HydrophobicContact CB-CD1 3.9Å; R755-F763 HydrophobicContact CB-CD2 4.16Å; R755-F763 HydrophobicContact CB-CE1 4.03Å; R755-F763 HydrophobicContact CB-CE2 4.28Å; R755-F763 HydrophobicContact CB-CG 3.96Å; R755-F763 HydrophobicContact CB-CZ 4.21Å; R755-F763 HydrophobicContact CG-CB 4.05Å; R755-F763 HydrophobicContact CG-CD1 4.21Å; R755-F763 HydrophobicContact CG-CD2 4.18Å; R755-F763 HydrophobicContact CG-CG 3.87Å; T759-F763 PolarHBondContact O-N 3.28Å; S760-F763 PolarHBondContact O-N 2.93Å; F763-N765 VanDerWaalsContact C-N 3.3Å; F763-N765 PolarHBondContact O-N 2.65Å; F763-I766 WeakPolarHBondContact O-CG2 3.5Å; F763-I766 PolarHBondContact O-N 2.88Å; F763-A767 HydrophobicContact CD2-CB 4.32Å; F763-A767 HydrophobicContact CE2-CB 3.97Å; F763-A767 HydrophobicContact CZ-CB 4.12Å; F763-A767 WeakPolarHBondContact O-CB 3.46Å; F763-A767 PolarHBondContact O-N 3.37Å
764	K	83.4	Confident	88.4	Confident	43 Å²	43	34.3 Å²	34.3	19%	0.187	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-47.7	175.6	179.6	169.5	-178.4	-172.1	0	111.8	F144 V148 G252 S760 I761 I766 C768	F144-K764 HydrophobicContact CE1-CB 3.69Å; F144-K764 HydrophobicContact CE1-CD 4.39Å; F144-K764 HydrophobicContact CZ-CB 3.74Å; F144-K764 HydrophobicContact CZ-CD 3.85Å; F144-K764 HydrophobicContact CZ-CG 4.41Å; V148-K764 HydrophobicContact CG2-CB 3.83Å; V148-K764 HydrophobicContact CG2-CD 4.49Å; V148-K764 HydrophobicContact CG2-CG 3.97Å; G252-K764 PolarHBondContact O-NZ 3.4Å; S760-K764 PolarHBondContact O-N 2.83Å; I761-K764 PolarHBondContact O-N 3.08Å; K764-I766 PolarHBondContact O-N 3.1Å; K764-C768 WeakPolarHBondContact O-CB 3.27Å; K764-C768 PolarHBondContact O-N 2.9Å; K764-C768 PolarHBondContact O-SG 3.39Å; K764-C768 VanDerWaalsContact O-SG 3.33Å
765	N	87.8	Confident	88.6	Confident	100 Å²	100	41.1 Å²	41.1	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-46.8	-174.3	-68.8	-15.7	0	0	0	111.1	I761 A762 F763 K769	I761-N765 PolarHBondContact O-N 3.04Å; I761-N765 VanDerWaalsContact O-N 3.12Å; I761-N765 PolarHBondContact O-ND2 3.2Å; I761-N765 PolarHBondContact O-OD1 3.3Å; A762-N765 PolarHBondContact O-N 3.2Å; F763-N765 VanDerWaalsContact C-N 3.3Å; F763-N765 PolarHBondContact O-N 2.65Å; N765-K769 WeakPolarHBondContact O-CB 3.24Å; N765-K769 PolarHBondContact O-N 3.17Å
766	I	92.8	Very high	88.6	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-73.6	-43.1	178.8	-166.4	57.7	0	0	0	112.5	N709 H725 V734 W736 A762 F763 K764 K769 I770	N709-I766 HydrophobicContact CB-CD1 4.5Å; H725-I766 HydrophobicContact CB-CG1 4.27Å; V734-I766 HydrophobicContact CG1-CG2 3.86Å; W736-I766 HydrophobicContact CH2-CG1 4.01Å; W736-I766 HydrophobicContact CH2-CG2 4.21Å; W736-I766 HydrophobicContact CZ2-CG1 4.36Å; W736-I766 HydrophobicContact CZ3-CG2 4.23Å; A762-I766 PolarHBondContact O-N 3.13Å; F763-I766 WeakPolarHBondContact O-CG2 3.5Å; F763-I766 PolarHBondContact O-N 2.88Å; K764-I766 PolarHBondContact O-N 3.1Å; I766-K769 WeakPolarHBondContact O-CB 3.18Å; I766-K769 PolarHBondContact O-N 3.14Å; I766-I770 HydrophobicContact CD1-CD1 4.28Å; I766-I770 HydrophobicContact CD1-CG1 4.47Å; I766-I770 HydrophobicContact CG1-CD1 3.88Å; I766-I770 WeakPolarHBondContact O-CG1 3.37Å; I766-I770 PolarHBondContact O-N 2.96Å
767	A	90.8	Very high	88.6	Confident	1 Å²	1	44 Å²	44	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-41.9	-179.1	0	0	0	0	0	112.2	V148 F753 F763 K769 A771	V148-A767 HydrophobicContact CG1-CB 3.86Å; F753-A767 HydrophobicContact CD1-CB 3.89Å; F753-A767 HydrophobicContact CE1-CB 4.32Å; F753-A767 HydrophobicContact CG-CB 4.46Å; F763-A767 HydrophobicContact CD2-CB 4.32Å; F763-A767 HydrophobicContact CE2-CB 3.97Å; F763-A767 HydrophobicContact CZ-CB 4.12Å; F763-A767 WeakPolarHBondContact O-CB 3.46Å; F763-A767 PolarHBondContact O-N 3.37Å; A767-K769 VanDerWaalsContact C-N 3.33Å; A767-K769 PolarHBondContact O-N 3.42Å; A767-A771 WeakPolarHBondContact O-CB 3.17Å; A767-A771 PolarHBondContact O-N 2.91Å
768	C	87.1	Confident	88.6	Confident	35 Å²	35	45.6 Å²	45.6	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-36.5	172.8	-73.5	0	0	0	0	112.2	K764 N772	K764-C768 WeakPolarHBondContact O-CB 3.27Å; K764-C768 PolarHBondContact O-N 2.9Å; K764-C768 PolarHBondContact O-SG 3.39Å; K764-C768 VanDerWaalsContact O-SG 3.33Å; C768-N772 PolarHBondContact O-N 3.28Å; C768-N772 VanDerWaalsContact O-N 3.14Å; C768-N772 PolarHBondContact O-ND2 2.8Å
769	K	91.3	Very high	88.7	Confident	97 Å²	97	46.6 Å²	46.6	42%	0.422	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-54.6	177.3	-171.7	-178.3	178.5	-151.8	0	110.5	N709 N765 I766 A767 A771 N772 E773	N709-K769 WeakPolarHBondContact OD1-CD 3.46Å; N709-K769 WeakPolarHBondContact OD1-CE 3.49Å; N709-K769 PolarHBondContact OD1-NZ 2.85Å; N765-K769 WeakPolarHBondContact O-CB 3.24Å; N765-K769 PolarHBondContact O-N 3.17Å; I766-K769 WeakPolarHBondContact O-CB 3.18Å; I766-K769 PolarHBondContact O-N 3.14Å; A767-K769 VanDerWaalsContact C-N 3.33Å; A767-K769 PolarHBondContact O-N 3.42Å; K769-A771 VanDerWaalsContact C-N 3.33Å; K769-A771 PolarHBondContact O-N 2.96Å; K769-N772 PolarHBondContact O-N 3.18Å; K769-E773 WeakPolarHBondContact CE-OE1 3.42Å; K769-E773 WeakPolarHBondContact CG-OE1 3.46Å; K769-E773 PolarHBondContact O-N 3.37Å; K769-E773 VanDerWaalsContact O-N 3.16Å
770	I	94.3	Very high	89.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-48.4	175.7	-66.4	162.9	0	0	0	110.7	V705 L706 W736 M738 F753 I766 N772 E773 L774	V705-I770 HydrophobicContact CG1-CB 4.39Å; V705-I770 HydrophobicContact CG1-CG1 4.46Å; V705-I770 HydrophobicContact CG1-CG2 4Å; L706-I770 HydrophobicContact CD2-CD1 3.67Å; W736-I770 HydrophobicContact CH2-CD1 4.45Å; W736-I770 HydrophobicContact CZ2-CD1 3.63Å; M738-I770 HydrophobicContact CE-CG2 3.96Å; M738-I770 HydrophobicContact SD-CG2 4.4Å; F753-I770 HydrophobicContact CE1-CB 4.3Å; F753-I770 HydrophobicContact CE1-CG2 3.97Å; F753-I770 HydrophobicContact CZ-CG2 4.08Å; I766-I770 HydrophobicContact CD1-CD1 4.28Å; I766-I770 HydrophobicContact CD1-CG1 4.47Å; I766-I770 HydrophobicContact CG1-CD1 3.88Å; I766-I770 WeakPolarHBondContact O-CG1 3.37Å; I766-I770 PolarHBondContact O-N 2.96Å; I770-N772 PolarHBondContact O-N 3.16Å; I770-N772 VanDerWaalsContact O-N 3.17Å; I770-E773 PolarHBondContact O-N 3.38Å; I770-L774 HydrophobicContact CG2-CD1 4.1Å; I770-L774 HydrophobicContact CG2-CG 4.18Å; I770-L774 WeakPolarHBondContact O-CG 3.37Å; I770-L774 PolarHBondContact O-N 3Å
771	A	90.6	Very high	89.7	Confident	16 Å²	16	49.8 Å²	49.8	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-17.7	-179.7	0	0	0	0	0	115	T689 F753 A767 K769	T689-A771 HydrophobicContact CG2-CB 3.75Å; F753-A771 HydrophobicContact CE2-CB 4.33Å; F753-A771 HydrophobicContact CZ-CB 4.13Å; A767-A771 WeakPolarHBondContact O-CB 3.17Å; A767-A771 PolarHBondContact O-N 2.91Å; K769-A771 VanDerWaalsContact C-N 3.33Å; K769-A771 PolarHBondContact O-N 2.96Å
772	N	90.4	Very high	90.3	Very high	99 Å²	99	47.9 Å²	47.9	53%	0.529	24%	0.241	S	C	.	.	H	α-helix	trans	-91.5	-22.9	172.5	-68.6	-35.4	0	0	0	112.9	K688 C768 K769 I770	K688-N772 PolarHBondContact NZ-OD1 2.92Å; C768-N772 PolarHBondContact O-N 3.28Å; C768-N772 VanDerWaalsContact O-N 3.14Å; C768-N772 PolarHBondContact O-ND2 2.8Å; K769-N772 PolarHBondContact O-N 3.18Å; I770-N772 PolarHBondContact O-N 3.16Å; I770-N772 VanDerWaalsContact O-N 3.17Å
773	E	94.4	Very high	90.6	Very high	76 Å²	76	50.3 Å²	50.3	36%	0.355	25%	0.25	S	S	.	.	H	α-helix	trans	-94.6	-20.6	-176.9	-71.2	175.8	-164.4	0	0	113.1	V705 N709 K769 I770 K775	V705-E773 HydrophobicContact CG1-CB 3.87Å; N709-E773 PolarHBondContact ND2-OE2 3.15Å; K769-E773 WeakPolarHBondContact CE-OE1 3.42Å; K769-E773 WeakPolarHBondContact CG-OE1 3.46Å; K769-E773 PolarHBondContact O-N 3.37Å; K769-E773 VanDerWaalsContact O-N 3.16Å; I770-E773 PolarHBondContact O-N 3.38Å; E773-K775 PolarHBondContact O-N 3.14Å
774	L	93.9	Very high	90.7	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.073	27%	0.269	C	S	.	.			trans	-57	122.8	171.8	-80.6	172.8	0	0	0	112.1	T689 E701 I702 V705 V751 F753 I770 L776	T689-L774 HydrophobicContact CG2-CD1 4.39Å; E701-L774 HydrophobicContact CG-CD2 4.41Å; I702-L774 HydrophobicContact CB-CD2 4.35Å; I702-L774 HydrophobicContact CG1-CD2 3.71Å; V705-L774 HydrophobicContact CB-CD2 4.31Å; V705-L774 HydrophobicContact CG2-CD2 4.16Å; V751-L774 HydrophobicContact CG2-CD1 4.47Å; F753-L774 HydrophobicContact CZ-CD1 4.21Å; I770-L774 HydrophobicContact CG2-CD1 4.1Å; I770-L774 HydrophobicContact CG2-CG 4.18Å; I770-L774 WeakPolarHBondContact O-CG 3.37Å; I770-L774 PolarHBondContact O-N 3Å; L774-L776 HydrophobicContact CB-CD1 4.06Å; L774-L776 HydrophobicContact CB-CG 4.11Å; L774-L776 HydrophobicContact CD1-CD1 4.06Å; L774-L776 HydrophobicContact CD2-CD1 4.4Å; L774-L776 HydrophobicContact CD2-CG 4.45Å; L774-L776 HydrophobicContact CG-CD1 4.41Å
775	K	92.7	Very high	91.3	Very high	158 Å²	158	55 Å²	55	69%	0.687	28%	0.276	S	S	*	.			trans	-104.8	79.2	176	-63.9	177	-175.4	178.3	0	109.7	E701 E773	E701-K775 HydrophobicContact CG-CB 4.44Å; E773-K775 PolarHBondContact O-N 3.14Å
776	L	89.5	Confident	91.6	Very high	56 Å²	56	50.9 Å²	50.9	29%	0.293	25%	0.253	S	S	.	.			trans	-102.2	0	-175.9	-60	171.4	0	0	0	111.5	S691 M693 M698 E701 V751 L774	S691-L776 WeakPolarHBondContact CB-OXT 2.95Å; S691-L776 PolarHBondContact OG-OXT 3.46Å; M693-L776 HydrophobicContact CE-CD2 4.37Å; M693-L776 WeakPolarHBondContact CE-OXT 3.41Å; M698-L776 HydrophobicContact CB-CD2 3.98Å; M698-L776 HydrophobicContact CE-CD1 4Å; M698-L776 HydrophobicContact CE-CD2 4.21Å; M698-L776 HydrophobicContact CG-CD2 4.01Å; E701-L776 HydrophobicContact CB-CD2 4.3Å; V751-L776 HydrophobicContact CG2-CD1 3.62Å; L774-L776 HydrophobicContact CB-CD1 4.06Å; L774-L776 HydrophobicContact CB-CG 4.11Å; L774-L776 HydrophobicContact CD1-CD1 4.06Å; L774-L776 HydrophobicContact CD2-CD1 4.4Å; L774-L776 HydrophobicContact CD2-CG 4.45Å; L774-L776 HydrophobicContact CG-CD1 4.41Å

Retrieved 776 of 776 residues in 976.7 ms (Link to these results)

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