A0A077Z3F8_TRITR Loading...

Transcription factor SOX 14

AlphaFold DB , UniProt , Accession A0A077Z3F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	45.5	Very low	223 Å²	223	139 Å²	139	100%	1.099	81%	0.808	S	S	*	*				0	133.7	0	-135.3	172.5	-162.4	0	0	105.8
2	M	41.9	Very low	45.6	Very low	148 Å²	148	132.4 Å²	132.4	73%	0.729	79%	0.792	S	S	*	*			trans	78	108.9	177.9	-62.9	80.8	175.7	0	0	116
3	H	44.3	Very low	45.8	Very low	179 Å²	179	134.1 Å²	134.1	83%	0.829	79%	0.792	S	S	*	*				73.9	132.9	78.6	-77.7	-71.2	0	0	0	110.6
4	C	44.6	Very low	46.4	Very low	101 Å²	101	135.4 Å²	135.4	68%	0.682	79%	0.789	S	S	*	*			cis	-163.7	144.3	21.1	-93.4	0	0	0	0	108.4
5	V	48.4	Very low	45.8	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	80%	0.795	S	S	*	*				82.7	135.5	98.9	-172.5	0	0	0	0	116.6
6	D	41.4	Very low	46.2	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	80%	0.796	S	S	*	*			trans	-48.9	162	-176.4	-57	-83.7	0	0	0	119.6
7	G	44.8	Very low	46.2	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	79%	0.794	S	S	*	*			trans	179	73.4	168	0	0	0	0	0	117.9
8	N	49.7	Very low	46.4	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	79%	0.791	S	S	*	*			trans	23.3	151.4	133.3	-152.1	18	0	0	0	125.2
9	V	53.4	Low	46.2	Very low	124 Å²	124	134.7 Å²	134.7	75%	0.752	79%	0.788	S	S	*	*			trans	87.6	125.4	149.3	-157.7	0	0	0	0	121.8
10	G	47.9	Very low	46.2	Very low	61 Å²	61	138.6 Å²	138.6	63%	0.629	80%	0.795	S	S	*	*				122.1	87.2	129.2	0	0	0	0	0	114.9
11	D	43	Very low	46.1	Very low	178 Å²	178	136.7 Å²	136.7	95%	0.952	80%	0.796	S	S	*	*				55.5	118	99.8	-96.3	-26.4	0	0	0	115.5
12	G	45.8	Very low	46.3	Very low	60 Å²	60	131.6 Å²	131.6	62%	0.619	78%	0.782	S	S	*	*			trans	140.5	114.8	151.1	0	0	0	0	0	116.7
13	I	48.6	Very low	46.4	Very low	154 Å²	154	128.5 Å²	128.5	79%	0.79	78%	0.78	S	S	*	*				62.2	104	129.1	55.6	162.2	0	0	0	118.7
14	M	54.1	Low	46.4	Very low	153 Å²	153	128.2 Å²	128.2	75%	0.754	78%	0.783	S	S	*	*				158.6	122.3	102.9	-78.4	-159.8	-177	0	0	110.7	M16	M14-M16 PolarHBondContact O-N 3.26Å
15	E	37.1	Very low	46.9	Very low	188 Å²	188	128 Å²	128	88%	0.879	78%	0.783	S	S	*	*			trans	-45.6	123.2	161.7	-176.5	-154.4	157.4	0	0	112.2
16	M	52.5	Low	46.8	Very low	165 Å²	165	129 Å²	129	81%	0.813	78%	0.784	S	S	*	*			trans	-158.3	119.2	150.9	18.6	-157.8	73.6	0	0	111.6	M14	M14-M16 PolarHBondContact O-N 3.26Å
17	S	47	Very low	46.6	Very low	110 Å²	110	127 Å²	127	77%	0.769	78%	0.781	S	S	*	*			trans	-99.6	174	162.3	-148.5	0	0	0	0	108.2
18	P	48.3	Very low	47	Very low	112 Å²	112	131.8 Å²	131.8	73%	0.727	79%	0.788	S	S	*	*			cis	-128.3	-179.2	-30.5	17.1	7.1	0	0	0	112.1
19	A	43	Very low	46.7	Very low	89 Å²	89	128.6 Å²	128.6	74%	0.736	78%	0.782	S	S	*	*			trans	77.9	105.6	154.3	0	0	0	0	0	119.4
20	K	45.8	Very low	46.5	Very low	212 Å²	212	132.4 Å²	132.4	92%	0.922	79%	0.789	S	S	*	*				158.6	125.9	127.6	-87.1	167.3	-173.5	-178.8	0	110.1
21	A	45.1	Very low	46.1	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	80%	0.798	S	S	*	*			trans	149.8	95.1	152.3	0	0	0	0	0	107.6
22	S	45.7	Very low	46	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	79%	0.794	S	S	*	*				58.2	98.8	76.9	-173.7	0	0	0	0	114.4
23	A	44.2	Very low	45.6	Very low	83 Å²	83	136 Å²	136	69%	0.686	80%	0.802	S	S	*	*			trans	72.1	137.6	133.4	0	0	0	0	0	121
24	L	44.9	Very low	45	Very low	173 Å²	173	137.6 Å²	137.6	91%	0.906	81%	0.806	S	S	*	*			trans	84.5	113.2	161.4	-63.2	161.8	0	0	0	116.8
25	S	54.8	Low	44	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	81%	0.814	S	S	*	*				174.7	107.2	120.6	177.3	0	0	0	0	110.2
26	D	46.4	Very low	44.2	Very low	148 Å²	148	138 Å²	138	79%	0.791	81%	0.806	S	S	*	*			trans	79.5	131.6	131.1	-52.4	-36.6	0	0	0	123.6
27	C	36.9	Very low	43.8	Very low	118 Å²	118	135.2 Å²	135.2	80%	0.797	80%	0.8	S	S	*	*			trans	-87.5	137	178.8	43.1	0	0	0	0	111.3
28	I	52.4	Low	43.4	Very low	174 Å²	174	134.9 Å²	134.9	89%	0.892	80%	0.795	S	S	*	*			trans	-138.8	123.8	155.4	-63.4	-174.3	0	0	0	109.5
29	A	44.9	Very low	43	Very low	86 Å²	86	139.8 Å²	139.8	71%	0.711	80%	0.799	S	S	*	*			trans	-71.3	151.4	178.6	0	0	0	0	0	113.6
30	K	47.8	Very low	42.9	Very low	205 Å²	205	140.7 Å²	140.7	89%	0.891	80%	0.8	S	S	*	*				-172.7	155.5	122	-105.4	172	179.4	177	0	114
31	E	40.8	Very low	42.7	Very low	175 Å²	175	138.4 Å²	138.4	82%	0.818	79%	0.793	S	S	*	*			trans	-75.4	167.9	-156.4	-66.7	170.2	122.4	0	0	117.6
32	S	40.4	Very low	42.5	Very low	124 Å²	124	142.7 Å²	142.7	87%	0.867	80%	0.796	S	S	*	*			trans	90.6	107.9	142.4	69.8	0	0	0	0	118.7
33	G	36.1	Very low	42.5	Very low	76 Å²	76	145 Å²	145	78%	0.784	79%	0.794	S	S	*	*			trans	157.6	80.5	165.5	0	0	0	0	0	115.2
34	E	36.3	Very low	42.5	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.874	79%	0.793	S	S	*	*			trans	39.3	90.2	151.8	-148.2	94.8	117.8	0	0	117.7	Q36	E34-Q36 PolarHBondContact O-N 3.42Å
35	Q	32.9	Very low	42.5	Very low	198 Å²	198	144 Å²	144	93%	0.925	79%	0.791	S	S	*	*			trans	-67.9	100.8	175.3	-65.4	178.7	17.3	0	0	111.1
36	Q	42.3	Very low	42.2	Very low	152 Å²	152	143 Å²	143	71%	0.71	78%	0.784	S	S	*	*			trans	-63.8	134.6	158.3	-72.3	-173.4	-2.4	0	0	108.9	E34	E34-Q36 PolarHBondContact O-N 3.42Å
37	P	44	Very low	42.6	Very low	106 Å²	106	145.1 Å²	145.1	69%	0.688	79%	0.789	S	S	*	*			trans	-59.2	143.8	178.8	25.4	-33.3	0	0	0	109.6	R39	P37-R39 PolarHBondContact O-N 3.42Å
38	P	39.2	Very low	44.3	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	79%	0.787	S	S	*	*			trans	-57.1	113.7	-179.3	24.1	-32.4	0	0	0	108	S40	P38-S40 PolarHBondContact O-N 3.07Å
39	R	39.7	Very low	46	Very low	214 Å²	214	143.2 Å²	143.2	81%	0.808	78%	0.78	S	S	*	*			trans	-56.6	101.6	178.5	-81.1	-176.2	-170.6	-166.5	3.4	108.3	P37 Q41	P37-R39 PolarHBondContact O-N 3.42Å; R39-Q41 PolarHBondContact O-N 3.39Å
40	S	41.4	Very low	48.3	Very low	109 Å²	109	141.4 Å²	141.4	76%	0.762	76%	0.758	S	S	*	*			trans	38.2	83.4	161	48.2	0	0	0	0	112.4	P38 Q42	P38-S40 PolarHBondContact O-N 3.07Å; S40-Q42 PolarHBondContact O-N 2.98Å
41	Q	41	Very low	50.5	Low	164 Å²	164	139.8 Å²	139.8	77%	0.766	75%	0.751	S	S	*	*			trans	-37.3	129.2	163.3	-69.3	172.9	2.1	0	0	109.7	R39 Q43	R39-Q41 PolarHBondContact O-N 3.39Å; Q41-Q43 PolarHBondContact O-N 3.27Å; Q41-Q43 VanDerWaalsContact O-N 3.16Å
42	Q	40.5	Very low	53.2	Low	188 Å²	188	138.3 Å²	138.3	88%	0.879	74%	0.738	S	S	*	*			trans	-40.5	116.7	-179.1	-63.4	152.6	6.9	0	0	108.9	S40	S40-Q42 PolarHBondContact O-N 2.98Å
43	Q	45.9	Very low	55.9	Low	165 Å²	165	134.1 Å²	134.1	77%	0.771	71%	0.708	S	S	*	*			trans	-54.6	135.6	160.8	-68.5	-164.4	-20.2	0	0	106.4	Q41	Q41-Q43 PolarHBondContact O-N 3.27Å; Q41-Q43 VanDerWaalsContact O-N 3.16Å
44	P	43.2	Very low	58.8	Low	100 Å²	100	133.8 Å²	133.8	65%	0.649	69%	0.686	S	S	*	*			trans	-50.7	157.2	173.6	23.3	-33	0	0	0	108.7	S46	P44-S46 PolarHBondContact O-N 3.34Å; P44-S46 PolarHBondContact O-OG 3.1Å
45	P	45.5	Very low	61.7	Low	134 Å²	134	128.9 Å²	128.9	87%	0.87	67%	0.666	S	S	*	*			trans	-66.6	64.3	-176.4	30.9	-36.5	0	0	0	111.2	Q47	P45-Q47 PolarHBondContact O-N 3.48Å
46	S	48.6	Very low	64.8	Low	77 Å²	77	120.3 Å²	120.3	54%	0.538	63%	0.629	S	S	.	*	S	Bend	trans	-57.9	107.8	158	51.4	0	0	0	0	104.2	P44 A48	P44-S46 PolarHBondContact O-N 3.34Å; P44-S46 PolarHBondContact O-OG 3.1Å; S46-A48 PolarHBondContact O-N 3.06Å; S46-A48 VanDerWaalsContact O-N 3.08Å
47	Q	54.5	Low	67.5	Low	193 Å²	193	115.2 Å²	115.2	90%	0.902	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	0.9	97	176.6	-69.3	179.4	-27.2	0	0	112.5	P45 H49	P45-Q47 PolarHBondContact O-N 3.48Å; Q47-H49 PolarHBondContact O-N 3.28Å
48	A	73.5	Confident	70.1	Confident	91 Å²	91	114.5 Å²	114.5	75%	0.752	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37	101.4	-162.6	0	0	0	0	0	112.7	S46 I50	S46-A48 PolarHBondContact O-N 3.06Å; S46-A48 VanDerWaalsContact O-N 3.08Å; A48-I50 PolarHBondContact O-N 3.39Å
49	H	87.6	Confident	72.8	Confident	161 Å²	161	110.7 Å²	110.7	75%	0.745	57%	0.568	S	S	*	*			trans	-54.9	114.7	178.8	170.6	64	0	0	0	109.9	Q47 K51	Q47-H49 PolarHBondContact O-N 3.28Å; H49-K51 PolarHBondContact O-N 3.31Å; H49-K51 VanDerWaalsContact O-N 3.15Å
50	I	92.6	Very high	75.6	Confident	48 Å²	48	101.1 Å²	101.1	25%	0.246	53%	0.532	C	S	.	.			trans	-68.2	113.4	-179.6	-61.6	167.1	0	0	0	108.8	A48 H110 H114 Y117	A48-I50 PolarHBondContact O-N 3.39Å; I50-H110 WeakPolarHBondContact CG2-CE1 3.5Å; I50-H114 HydrophobicContact CD1-CB 4.11Å; I50-Y117 HydrophobicContact CB-CD2 3.88Å; I50-Y117 HydrophobicContact CB-CE2 4.01Å; I50-Y117 HydrophobicContact CD1-CD2 4.45Å; I50-Y117 HydrophobicContact CG2-CD2 3.48Å; I50-Y117 VanDerWaalsContact CG2-CD2 3.48Å; I50-Y117 HydrophobicContact CG2-CE2 3.67Å; I50-Y117 HydrophobicContact CG2-CG 4.47Å
51	K	94.5	Very high	78.3	Confident	171 Å²	171	96 Å²	96	74%	0.743	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-70.9	148.4	177.2	-68.7	-179.5	178.5	174.7	0	110.3	H49 H110	H49-K51 PolarHBondContact O-N 3.31Å; H49-K51 VanDerWaalsContact O-N 3.15Å; K51-H110 PolarHBondContact O-CE1 3.44Å
52	R	96.8	Very high	80.9	Confident	144 Å²	144	93.7 Å²	93.7	54%	0.543	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62.8	145.5	175.8	-59.1	173.5	-165.2	-143.1	21.6	111.2	Y117 Y119	R52-Y117 VanDerWaalsContact CG-OH 3.29Å; R52-Y117 WeakPolarHBondContact CG-OH 3.37Å; R52-Y119 PolarHBondContact NH1-OH 2.81Å; R52-Y119 PolarHBondContact NH2-OH 3.35Å
53	P	97.6	Very high	83.4	Confident	36 Å²	36	85.1 Å²	85.1	23%	0.234	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.3	143.8	169.9	26.9	-33	0	0	0	110.4	R107 H110	P53-R107 HydrophobicContact CB-CG 4.06Å; P53-R107 HydrophobicContact CG-CG 3.83Å; P53-H110 HydrophobicContact CB-CB 4.03Å; P53-H110 HydrophobicContact CG-CB 4.23Å
54	M	97.1	Very high	85.8	Confident	69 Å²	69	78.7 Å²	78.7	34%	0.34	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-68.3	133.1	179.7	-65.4	-173.3	-64.2	0	0	110.4	M58 V59 L106	M54-M58 HydrophobicContact CB-CB 4.01Å; M54-M58 HydrophobicContact CG-CB 4.35Å; M54-V59 HydrophobicContact CB-CG2 3.79Å; M54-V59 HydrophobicContact CE-CG2 4.28Å; M54-L106 HydrophobicContact CB-CD1 4.23Å; M54-L106 HydrophobicContact CE-CD1 3.91Å
55	N	98.2	Very high	88.4	Confident	83 Å²	83	77.7 Å²	77.7	44%	0.444	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-78	173.9	168.9	71.8	16.1	0	0	0	110.9	F57 M58 V59	N55-F57 PolarHBondContact O-N 2.79Å; N55-F57 PolarHBondContact OD1-N 3.02Å; N55-M58 PolarHBondContact O-N 3.27Å; N55-M58 VanDerWaalsContact O-N 3.08Å; N55-M58 WeakPolarHBondContact OD1-CB 3.5Å; N55-M58 WeakPolarHBondContact OD1-CG 3.47Å; N55-M58 PolarHBondContact OD1-N 3.34Å; N55-V59 WeakPolarHBondContact O-CG2 3.46Å; N55-V59 PolarHBondContact O-N 2.72Å
56	A	97.5	Very high	90.8	Very high	18 Å²	18	74.9 Å²	74.9	15%	0.149	37%	0.368	C	S	.	.	H	α-helix	trans	-55.4	-47.5	-175.6	0	0	0	0	0	113.3	M58 V59 W60 W88 I100 A103	A56-M58 VanDerWaalsContact C-N 3.34Å; A56-M58 PolarHBondContact O-N 2.96Å; A56-V59 PolarHBondContact O-N 3.01Å; A56-W60 PolarHBondContact O-N 3.48Å; A56-W88 HydrophobicContact CB-CH2 4.02Å; A56-W88 HydrophobicContact CB-CZ2 4.07Å; A56-I100 HydrophobicContact CB-CB 4.5Å; A56-I100 HydrophobicContact CB-CG1 3.86Å; A56-A103 HydrophobicContact CB-CB 4.14Å; A56-A103 VanDerWaalsContact N-CB 3.3Å
57	F	98.2	Very high	93	Very high	46 Å²	46	74.7 Å²	74.7	20%	0.202	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-40.9	177.2	171.8	-103.1	0	0	0	112.2	N55 V59 W60 S61 W88	N55-F57 PolarHBondContact O-N 2.79Å; N55-F57 PolarHBondContact OD1-N 3.02Å; F57-V59 VanDerWaalsContact C-N 3.34Å; F57-W60 AromaticContact CD2-CE3 3.96Å; F57-W60 HydrophobicContact CD2-CE3 3.96Å; F57-W60 HydrophobicContact CD2-CZ3 4.12Å; F57-W60 HydrophobicContact CE2-CE3 4.07Å; F57-W60 AromaticContact CE2-CZ3 3.82Å; F57-W60 HydrophobicContact CE2-CZ3 3.82Å; F57-W60 PolarHBondContact O-N 3.44Å; F57-S61 WeakPolarHBondContact O-CB 3.26Å; F57-S61 PolarHBondContact O-N 2.91Å; F57-S61 PolarHBondContact O-OG 3.44Å; F57-W88 HydrophobicContact CB-CD2 4.41Å; F57-W88 HydrophobicContact CD2-CB 3.78Å; F57-W88 AromaticContact CD2-CD1 3.93Å; F57-W88 AromaticContact CD2-CD2 3.93Å; F57-W88 HydrophobicContact CD2-CD2 3.93Å; F57-W88 HydrophobicContact CD2-CE3 4.48Å; F57-W88 AromaticContact CD2-CG 3.57Å; F57-W88 HydrophobicContact CD2-CG 3.57Å; F57-W88 HydrophobicContact CE2-CB 3.94Å; F57-W88 HydrophobicContact CE2-CG 4.24Å
58	M	98	Very high	94.9	Very high	90 Å²	90	66.3 Å²	66.3	44%	0.443	32%	0.318	S	S	.	.	H	α-helix	trans	-68.6	-32.8	179.1	-68.4	-65.9	176.3	0	0	112.3	M54 N55 A56 S61	M54-M58 HydrophobicContact CB-CB 4.01Å; M54-M58 HydrophobicContact CG-CB 4.35Å; N55-M58 PolarHBondContact O-N 3.27Å; N55-M58 VanDerWaalsContact O-N 3.08Å; N55-M58 WeakPolarHBondContact OD1-CB 3.5Å; N55-M58 WeakPolarHBondContact OD1-CG 3.47Å; N55-M58 PolarHBondContact OD1-N 3.34Å; A56-M58 VanDerWaalsContact C-N 3.34Å; A56-M58 PolarHBondContact O-N 2.96Å; M58-S61 WeakPolarHBondContact CA-OG 3.39Å
59	V	97.2	Very high	95.9	Very high	24 Å²	24	64 Å²	64	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-52.6	172.7	176.6	0	0	0	0	110.2	M54 N55 A56 F57 R62 F99 E102 A103 L106	M54-V59 HydrophobicContact CB-CG2 3.79Å; M54-V59 HydrophobicContact CE-CG2 4.28Å; N55-V59 WeakPolarHBondContact O-CG2 3.46Å; N55-V59 PolarHBondContact O-N 2.72Å; A56-V59 PolarHBondContact O-N 3.01Å; F57-V59 VanDerWaalsContact C-N 3.34Å; V59-R62 PolarHBondContact O-N 3.15Å; V59-F99 HydrophobicContact CG1-CD1 4.2Å; V59-E102 HydrophobicContact CG1-CB 4.36Å; V59-E102 HydrophobicContact CG1-CG 3.74Å; V59-E102 HydrophobicContact CG2-CG 4.43Å; V59-A103 HydrophobicContact CG2-CB 4.41Å; V59-L106 HydrophobicContact CG2-CD1 3.66Å
60	W	97.7	Very high	96.3	Very high	13 Å²	13	63 Å²	63	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-49.4	-179.1	170.8	79.4	0	0	0	113	A56 F57 R62 G63 Q64 L84 E87 W88 L91 F99	A56-W60 PolarHBondContact O-N 3.48Å; F57-W60 AromaticContact CD2-CE3 3.96Å; F57-W60 HydrophobicContact CD2-CE3 3.96Å; F57-W60 HydrophobicContact CD2-CZ3 4.12Å; F57-W60 HydrophobicContact CE2-CE3 4.07Å; F57-W60 AromaticContact CE2-CZ3 3.82Å; F57-W60 HydrophobicContact CE2-CZ3 3.82Å; F57-W60 PolarHBondContact O-N 3.44Å; W60-R62 PolarHBondContact O-N 3.45Å; W60-R62 VanDerWaalsContact O-N 3.08Å; W60-G63 PolarHBondContact O-N 3.18Å; W60-Q64 HydrophobicContact CD2-CG 4.08Å; W60-Q64 HydrophobicContact CH2-CG 4.24Å; W60-Q64 HydrophobicContact CZ2-CB 4.49Å; W60-Q64 HydrophobicContact CZ2-CG 3.67Å; W60-Q64 PolarHBondContact O-N 3.31Å; W60-L84 HydrophobicContact CH2-CB 4.3Å; W60-L84 HydrophobicContact CH2-CD2 3.94Å; W60-L84 WeakPolarHBondContact CH2-O 3.18Å; W60-L84 HydrophobicContact CZ3-CB 4Å; W60-L84 HydrophobicContact CZ3-CD2 4.18Å; W60-L84 VanDerWaalsContact CZ3-O 3.23Å; W60-L84 WeakPolarHBondContact CZ3-O 3.4Å; W60-E87 HydrophobicContact CH2-CB 3.8Å; W60-E87 HydrophobicContact CZ2-CB 4.22Å; W60-W88 HydrophobicContact CB-CE3 4.12Å; W60-W88 HydrophobicContact CB-CZ3 3.69Å; W60-W88 AromaticContact CD2-CE3 3.55Å; W60-W88 HydrophobicContact CD2-CE3 3.55Å; W60-W88 AromaticContact CD2-CZ3 3.99Å; W60-W88 HydrophobicContact CD2-CZ3 3.99Å; W60-W88 HydrophobicContact CE3-CB 4.19Å; W60-W88 HydrophobicContact CE3-CD2 4.27Å; W60-W88 AromaticContact CE3-CE3 3.57Å; W60-W88 HydrophobicContact CE3-CE3 3.57Å; W60-W88 HydrophobicContact CE3-CZ3 4.34Å; W60-W88 AromaticContact CG-CE3 3.81Å; W60-W88 HydrophobicContact CG-CE3 3.81Å; W60-W88 AromaticContact CG-CZ3 3.71Å; W60-W88 HydrophobicContact CG-CZ3 3.71Å; W60-W88 HydrophobicContact CH2-CB 4.12Å; W60-W88 HydrophobicContact CZ3-CB 3.72Å; W60-W88 HydrophobicContact CZ3-CE3 4.22Å; W60-L91 HydrophobicContact CD2-CD1 4.44Å; W60-L91 HydrophobicContact CZ2-CD1 3.83Å; W60-F99 HydrophobicContact CB-CB 4.27Å; W60-F99 HydrophobicContact CB-CD1 3.78Å; W60-F99 HydrophobicContact CB-CD2 4.17Å; W60-F99 HydrophobicContact CB-CE1 4.16Å; W60-F99 HydrophobicContact CB-CG 3.79Å; W60-F99 AromaticContact CD1-CD2 3.88Å; W60-F99 AromaticContact CD1-CE1 3.94Å; W60-F99 AromaticContact CD1-CE2 3.49Å; W60-F99 VanDerWaalsContact CD1-CE2 3.49Å; W60-F99 AromaticContact CD1-CZ 3.53Å; W60-F99 HydrophobicContact CG-CD1 4.48Å; W60-F99 HydrophobicContact CG-CD2 4.33Å; W60-F99 HydrophobicContact CG-CE1 4.48Å; W60-F99 HydrophobicContact CG-CE2 4.33Å; W60-F99 HydrophobicContact CG-CG 4.41Å; W60-F99 HydrophobicContact CG-CZ 4.42Å
61	S	97.7	Very high	96.4	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-17.2	-175.6	60.5	0	0	0	0	113.3	F57 M58 R65	F57-S61 WeakPolarHBondContact O-CB 3.26Å; F57-S61 PolarHBondContact O-N 2.91Å; F57-S61 PolarHBondContact O-OG 3.44Å; M58-S61 WeakPolarHBondContact CA-OG 3.39Å; S61-R65 WeakPolarHBondContact O-CB 3.01Å; S61-R65 PolarHBondContact O-N 2.85Å
62	R	95.5	Very high	96.2	Very high	116 Å²	116	61.2 Å²	61.2	44%	0.438	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-51.5	177	-144.9	-173.8	167.2	-155	-11.3	110.9	V59 W60 R66 Y284	V59-R62 PolarHBondContact O-N 3.15Å; W60-R62 PolarHBondContact O-N 3.45Å; W60-R62 VanDerWaalsContact O-N 3.08Å; R62-R66 PolarHBondContact O-N 3.19Å; R62-Y284 HydrophobicContact CB-CD1 4.15Å; R62-Y284 HydrophobicContact CB-CE1 4.06Å; R62-Y284 HydrophobicContact CB-CE2 4.48Å; R62-Y284 HydrophobicContact CB-CG 4.43Å; R62-Y284 HydrophobicContact CG-CD1 3.65Å; R62-Y284 HydrophobicContact CG-CE1 3.27Å; R62-Y284 HydrophobicContact CG-CE2 4.43Å; R62-Y284 HydrophobicContact CG-CG 4.4Å; R62-Y284 VanDerWaalsContact CZ-CD1 3.4Å; R62-Y284 VanDerWaalsContact NE-CD1 3.33Å; R62-Y284 PolarHBondContact NH1-O 3.4Å; R62-Y284 WeakPolarHBondContact O-CE2 3.31Å; R62-Y284 PolarHBondContact O-OH 3.06Å; R62-Y284 VanDerWaalsContact O-OH 3.13Å
63	G	94.2	Very high	96	Very high	7 Å²	7	59.7 Å²	59.7	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-53.5	175	0	0	0	0	0	112.5	W60 R65 R66 K67 Y284	W60-G63 PolarHBondContact O-N 3.18Å; G63-R65 PolarHBondContact O-N 2.74Å; G63-R66 PolarHBondContact O-N 3.07Å; G63-K67 PolarHBondContact O-N 3.47Å; G63-K67 VanDerWaalsContact O-N 3.09Å; G63-Y284 VanDerWaalsContact CA-CD2 3.41Å
64	Q	96.4	Very high	95.9	Very high	31 Å²	31	67.9 Å²	67.9	15%	0.145	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-40.2	-175.4	-58.1	-56.6	-28	0	0	112.6	W60 R66 K67 M68 L84	W60-Q64 HydrophobicContact CD2-CG 4.08Å; W60-Q64 HydrophobicContact CH2-CG 4.24Å; W60-Q64 HydrophobicContact CZ2-CB 4.49Å; W60-Q64 HydrophobicContact CZ2-CG 3.67Å; W60-Q64 PolarHBondContact O-N 3.31Å; Q64-R66 VanDerWaalsContact C-N 3.3Å; Q64-R66 PolarHBondContact O-N 2.96Å; Q64-K67 PolarHBondContact O-N 3.26Å; Q64-M68 WeakPolarHBondContact O-CB 3.37Å; Q64-M68 WeakPolarHBondContact O-CG 3.45Å; Q64-M68 PolarHBondContact O-N 3.08Å; Q64-L84 HydrophobicContact CB-CD1 4.5Å; Q64-L84 HydrophobicContact CB-CD2 3.3Å; Q64-L84 HydrophobicContact CG-CD2 4.29Å
65	R	96.8	Very high	95.7	Very high	78 Å²	78	66.3 Å²	66.3	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-39.3	175.1	179.8	-179.9	-76.1	152.7	-0.2	111.9	S61 G63 A69 N77 I80 S81 L84	S61-R65 WeakPolarHBondContact O-CB 3.01Å; S61-R65 PolarHBondContact O-N 2.85Å; G63-R65 PolarHBondContact O-N 2.74Å; R65-A69 WeakPolarHBondContact O-CB 3.38Å; R65-A69 PolarHBondContact O-N 3.18Å; R65-N77 VanDerWaalsContact CD-ND2 3.27Å; R65-N77 WeakPolarHBondContact CD-ND2 3.46Å; R65-N77 PolarHBondContact NE-ND2 3.06Å; R65-I80 HydrophobicContact CB-CG2 4.36Å; R65-I80 HydrophobicContact CG-CG2 4.05Å; R65-S81 PolarHBondContact NH2-OG 3.13Å; R65-L84 HydrophobicContact CB-CD1 3.8Å
66	R	96	Very high	95.6	Very high	76 Å²	76	68.8 Å²	68.8	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-66.3	-46	176.9	-175.5	173.7	64.5	-163.5	-4.6	111.3	R62 G63 Q64 A69 Q70 A283 Y284	R62-R66 PolarHBondContact O-N 3.19Å; G63-R66 PolarHBondContact O-N 3.07Å; Q64-R66 VanDerWaalsContact C-N 3.3Å; Q64-R66 PolarHBondContact O-N 2.96Å; R66-A69 PolarHBondContact O-N 3.31Å; R66-Q70 WeakPolarHBondContact O-CG 3.44Å; R66-Q70 PolarHBondContact O-N 3.45Å; R66-A283 PolarHBondContact NH1-O 3.44Å; R66-A283 PolarHBondContact NH2-O 3.13Å; R66-A283 VanDerWaalsContact NH2-O 3.12Å; R66-Y284 HydrophobicContact CB-CE2 3.74Å; R66-Y284 WeakPolarHBondContact CB-OH 3.23Å; R66-Y284 HydrophobicContact CG-CE2 4.4Å; R66-Y284 VanDerWaalsContact NE-CE2 3.31Å
67	K	95.7	Very high	95.4	Very high	73 Å²	73	71.6 Å²	71.6	32%	0.317	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-53.7	176.3	-176.8	-177.2	174	-174.2	0	111.1	G63 Q64 A69 Q70 E71	G63-K67 PolarHBondContact O-N 3.47Å; G63-K67 VanDerWaalsContact O-N 3.09Å; Q64-K67 PolarHBondContact O-N 3.26Å; K67-A69 VanDerWaalsContact C-N 3.33Å; K67-A69 PolarHBondContact O-N 2.9Å; K67-Q70 PolarHBondContact O-N 3.09Å; K67-Q70 VanDerWaalsContact O-N 3.17Å; K67-E71 WeakPolarHBondContact CE-OE1 3.3Å; K67-E71 WeakPolarHBondContact CG-OE1 3.37Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 3.36Å
68	M	94.4	Very high	95.4	Very high	16 Å²	16	72.4 Å²	72.4	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-36.4	179.2	-70.2	-177.6	77.6	0	0	113.5	Q64 Q70 N72 I80 R83 L84	Q64-M68 WeakPolarHBondContact O-CB 3.37Å; Q64-M68 WeakPolarHBondContact O-CG 3.45Å; Q64-M68 PolarHBondContact O-N 3.08Å; M68-Q70 VanDerWaalsContact C-N 3.34Å; M68-N72 WeakPolarHBondContact O-CB 3.39Å; M68-N72 PolarHBondContact O-N 3.33Å; M68-I80 HydrophobicContact CB-CG2 4.03Å; M68-I80 HydrophobicContact CE-CG2 4.28Å; M68-I80 HydrophobicContact SD-CG2 3.83Å; M68-R83 HydrophobicContact CE-CB 3.76Å; M68-R83 HydrophobicContact CE-CG 4.32Å; M68-L84 HydrophobicContact SD-CD1 4.45Å; M68-L84 HydrophobicContact SD-CD2 3.44Å; M68-L84 WeakPolarHBondContact SD-CD2 3.42Å; M68-L84 HydrophobicContact SD-CG 3.74Å
69	A	95	Very high	95.3	Very high	42 Å²	42	71.3 Å²	71.3	35%	0.347	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-30.3	178.2	0	0	0	0	0	112.7	R65 R66 K67 N72 P73 I80	R65-A69 WeakPolarHBondContact O-CB 3.38Å; R65-A69 PolarHBondContact O-N 3.18Å; R66-A69 PolarHBondContact O-N 3.31Å; K67-A69 VanDerWaalsContact C-N 3.33Å; K67-A69 PolarHBondContact O-N 2.9Å; A69-N72 CarbonylContact O-C 3.54Å; A69-P73 WeakPolarHBondContact O-CA 3.37Å; A69-I80 HydrophobicContact CB-CD1 4.16Å
70	Q	95.1	Very high	95.3	Very high	142 Å²	142	70.3 Å²	70.3	66%	0.664	34%	0.343	S	S	*	.	H	α-helix	trans	-73.5	-41.9	174	-72.6	170.4	-18.7	0	0	111.4	R66 K67 M68 N72	R66-Q70 WeakPolarHBondContact O-CG 3.44Å; R66-Q70 PolarHBondContact O-N 3.45Å; K67-Q70 PolarHBondContact O-N 3.09Å; K67-Q70 VanDerWaalsContact O-N 3.17Å; M68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-N72 VanDerWaalsContact C-N 3.35Å
71	E	94.9	Very high	95.3	Very high	118 Å²	118	71.4 Å²	71.4	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-69.4	-33	177	-68.1	169.1	-175.4	0	0	112.4	K67	K67-E71 WeakPolarHBondContact CE-OE1 3.3Å; K67-E71 WeakPolarHBondContact CG-OE1 3.37Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 3.36Å
72	N	90.5	Very high	95.3	Very high	63 Å²	63	77.6 Å²	77.6	34%	0.337	38%	0.379	S	S	.	.			trans	-131.1	73.3	-176.4	-62.3	-93.6	0	0	0	111.2	M68 A69 Q70 K74 M75	M68-N72 WeakPolarHBondContact O-CB 3.39Å; M68-N72 PolarHBondContact O-N 3.33Å; A69-N72 CarbonylContact O-C 3.54Å; Q70-N72 VanDerWaalsContact C-N 3.35Å; N72-K74 PolarHBondContact O-N 2.99Å; N72-K74 VanDerWaalsContact O-N 3.12Å; N72-M75 HydrophobicContact CB-CB 3.72Å; N72-M75 HydrophobicContact CB-CE 3.88Å; N72-M75 WeakPolarHBondContact O-CB 3.42Å; N72-M75 PolarHBondContact O-N 3.34Å
73	P	93.3	Very high	95.4	Very high	111 Å²	111	77.2 Å²	77.2	72%	0.721	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	-175.6	24.8	-34.5	0	0	0	113.6	A69	A69-P73 WeakPolarHBondContact O-CA 3.37Å
74	K	94.3	Very high	95.6	Very high	208 Å²	208	76.9 Å²	76.9	90%	0.904	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.9	176.1	-63.1	-176.4	178.8	179.6	0	113.4	N72	N72-K74 PolarHBondContact O-N 2.99Å; N72-K74 VanDerWaalsContact O-N 3.12Å
75	M	93.2	Very high	95.6	Very high	36 Å²	36	76.5 Å²	76.5	18%	0.177	38%	0.378	C	S	.	.	S	Bend	trans	-78.1	127.2	-175.7	-171.1	-179.5	-63.5	0	0	111.2	N72 E79 I80 R83	N72-M75 HydrophobicContact CB-CB 3.72Å; N72-M75 HydrophobicContact CB-CE 3.88Å; N72-M75 WeakPolarHBondContact O-CB 3.42Å; N72-M75 PolarHBondContact O-N 3.34Å; M75-E79 HydrophobicContact CG-CB 3.99Å; M75-E79 HydrophobicContact CG-CG 4.14Å; M75-E79 HydrophobicContact SD-CB 4.43Å; M75-E79 HydrophobicContact SD-CG 4.19Å; M75-I80 HydrophobicContact CB-CG1 4.29Å; M75-I80 HydrophobicContact CG-CG1 3.85Å; M75-I80 HydrophobicContact SD-CG1 3.7Å; M75-R83 VanDerWaalsContact CE-CZ 3.43Å
76	H	95.2	Very high	95.7	Very high	136 Å²	136	77.1 Å²	77.1	63%	0.63	39%	0.391	S	S	*	.			trans	-69.5	143.9	-179.8	-168.3	56.9	0	0	0	112	S78 E79 I80	H76-S78 PolarHBondContact CD2-OG 2.89Å; H76-S78 PolarHBondContact NE2-OG 2.94Å; H76-S78 PolarHBondContact O-N 3.17Å; H76-S78 VanDerWaalsContact O-N 3.13Å; H76-E79 WeakPolarHBondContact O-CA 3.43Å; H76-E79 WeakPolarHBondContact O-CB 3.48Å; H76-E79 PolarHBondContact O-N 2.9Å; H76-I80 PolarHBondContact O-N 2.89Å; H76-I80 VanDerWaalsContact O-N 3.11Å
77	N	94.9	Very high	95.8	Very high	77 Å²	77	77 Å²	77	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-29.1	-174.9	-171.3	-101.9	0	0	0	113.9	R65 E79 I80 S81	R65-N77 VanDerWaalsContact CD-ND2 3.27Å; R65-N77 WeakPolarHBondContact CD-ND2 3.46Å; R65-N77 PolarHBondContact NE-ND2 3.06Å; N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.36Å; N77-I80 PolarHBondContact O-N 2.75Å; N77-S81 WeakPolarHBondContact O-CB 3.44Å; N77-S81 PolarHBondContact O-N 2.9Å; N77-S81 PolarHBondContact O-OG 3.22Å
78	S	96.8	Very high	95.9	Very high	63 Å²	63	75.6 Å²	75.6	44%	0.441	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-43.2	172.6	-44.4	0	0	0	0	111.2	H76 S81 K82	H76-S78 PolarHBondContact CD2-OG 2.89Å; H76-S78 PolarHBondContact NE2-OG 2.94Å; H76-S78 PolarHBondContact O-N 3.17Å; H76-S78 VanDerWaalsContact O-N 3.13Å; S78-S81 PolarHBondContact O-N 3.48Å; S78-K82 WeakPolarHBondContact O-CG 3.38Å; S78-K82 PolarHBondContact O-N 3.29Å; S78-K82 VanDerWaalsContact O-N 3.15Å
79	E	97.3	Very high	96	Very high	66 Å²	66	82.9 Å²	82.9	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-72.7	-42.9	-179.8	-168.3	55	-146.9	0	0	111.1	M75 H76 N77 S81 K82 R83	M75-E79 HydrophobicContact CG-CB 3.99Å; M75-E79 HydrophobicContact CG-CG 4.14Å; M75-E79 HydrophobicContact SD-CB 4.43Å; M75-E79 HydrophobicContact SD-CG 4.19Å; H76-E79 WeakPolarHBondContact O-CA 3.43Å; H76-E79 WeakPolarHBondContact O-CB 3.48Å; H76-E79 PolarHBondContact O-N 2.9Å; N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.36Å; E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.12Å; E79-K82 PolarHBondContact O-N 3.36Å; E79-K82 VanDerWaalsContact O-N 3.14Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 IonicContact OE2-NZ 2.83Å; E79-K82 PolarHBondContact OE2-NZ 2.82Å; E79-R83 PolarHBondContact O-N 3.05Å; E79-R83 IonicContact OE1-NE 3.89Å
80	I	97	Very high	96.1	Very high	4 Å²	4	85.4 Å²	85.4	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-54.3	-46.5	171.4	-61.5	175.2	0	0	0	110	R65 M68 A69 M75 H76 N77 K82 R83 L84	R65-I80 HydrophobicContact CB-CG2 4.36Å; R65-I80 HydrophobicContact CG-CG2 4.05Å; M68-I80 HydrophobicContact CB-CG2 4.03Å; M68-I80 HydrophobicContact CE-CG2 4.28Å; M68-I80 HydrophobicContact SD-CG2 3.83Å; A69-I80 HydrophobicContact CB-CD1 4.16Å; M75-I80 HydrophobicContact CB-CG1 4.29Å; M75-I80 HydrophobicContact CG-CG1 3.85Å; M75-I80 HydrophobicContact SD-CG1 3.7Å; H76-I80 PolarHBondContact O-N 2.89Å; H76-I80 VanDerWaalsContact O-N 3.11Å; N77-I80 PolarHBondContact O-N 2.75Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.12Å; I80-R83 PolarHBondContact O-N 3.12Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.23Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.47Å
81	S	97.1	Very high	96.2	Very high	35 Å²	35	80.3 Å²	80.3	25%	0.245	41%	0.41	C	S	.	.	H	α-helix	trans	-66.8	-30	-178	-60.2	0	0	0	0	113.3	R65 N77 S78 E79 G85	R65-S81 PolarHBondContact NH2-OG 3.13Å; N77-S81 WeakPolarHBondContact O-CB 3.44Å; N77-S81 PolarHBondContact O-N 2.9Å; N77-S81 PolarHBondContact O-OG 3.22Å; S78-S81 PolarHBondContact O-N 3.48Å; E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.12Å; S81-G85 PolarHBondContact O-N 3.12Å; S81-G85 VanDerWaalsContact O-N 3.09Å
82	K	97.9	Very high	96.3	Very high	132 Å²	132	78.4 Å²	78.4	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-65.8	-49.7	173	-70.1	177.3	-158.9	159.7	0	111.4	S78 E79 I80 G85 T86	S78-K82 WeakPolarHBondContact O-CG 3.38Å; S78-K82 PolarHBondContact O-N 3.29Å; S78-K82 VanDerWaalsContact O-N 3.15Å; E79-K82 PolarHBondContact O-N 3.36Å; E79-K82 VanDerWaalsContact O-N 3.14Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 IonicContact OE2-NZ 2.83Å; E79-K82 PolarHBondContact OE2-NZ 2.82Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.12Å; K82-G85 WeakPolarHBondContact O-CA 3.31Å; K82-G85 PolarHBondContact O-N 3Å; K82-G85 VanDerWaalsContact O-N 3.09Å; K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 VanDerWaalsContact O-N 3.12Å
83	R	97.4	Very high	96.6	Very high	108 Å²	108	80.6 Å²	80.6	41%	0.408	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-42.2	179.9	-64.1	-175.5	-173.5	-161.5	3.4	112.2	M68 M75 E79 I80 G85 T86 E87	M68-R83 HydrophobicContact CE-CB 3.76Å; M68-R83 HydrophobicContact CE-CG 4.32Å; M75-R83 VanDerWaalsContact CE-CZ 3.43Å; E79-R83 PolarHBondContact O-N 3.05Å; E79-R83 IonicContact OE1-NE 3.89Å; I80-R83 PolarHBondContact O-N 3.12Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.11Å; R83-T86 WeakPolarHBondContact CA-OG1 3.45Å; R83-T86 PolarHBondContact O-N 3.43Å; R83-T86 VanDerWaalsContact O-N 3.15Å; R83-T86 PolarHBondContact O-OG1 2.87Å; R83-E87 WeakPolarHBondContact O-CG 3.34Å; R83-E87 PolarHBondContact O-N 3.21Å
84	L	97.6	Very high	96.8	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-61.5	-36.5	172.8	-67.9	179	0	0	0	112.3	W60 Q64 R65 M68 I80 T86 W88	W60-L84 HydrophobicContact CH2-CB 4.3Å; W60-L84 HydrophobicContact CH2-CD2 3.94Å; W60-L84 WeakPolarHBondContact CH2-O 3.18Å; W60-L84 HydrophobicContact CZ3-CB 4Å; W60-L84 HydrophobicContact CZ3-CD2 4.18Å; W60-L84 VanDerWaalsContact CZ3-O 3.23Å; W60-L84 WeakPolarHBondContact CZ3-O 3.4Å; Q64-L84 HydrophobicContact CB-CD1 4.5Å; Q64-L84 HydrophobicContact CB-CD2 3.3Å; Q64-L84 HydrophobicContact CG-CD2 4.29Å; R65-L84 HydrophobicContact CB-CD1 3.8Å; M68-L84 HydrophobicContact SD-CD1 4.45Å; M68-L84 HydrophobicContact SD-CD2 3.44Å; M68-L84 WeakPolarHBondContact SD-CD2 3.42Å; M68-L84 HydrophobicContact SD-CG 3.74Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.23Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.47Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-W88 VanDerWaalsContact O-CB 3.31Å; L84-W88 WeakPolarHBondContact O-CB 3.35Å; L84-W88 PolarHBondContact O-N 3.08Å
85	G	98	Very high	96.9	Very high	22 Å²	22	72.2 Å²	72.2	23%	0.227	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-34.9	175.9	0	0	0	0	0	113.2	S81 K82 R83 K89	S81-G85 PolarHBondContact O-N 3.12Å; S81-G85 VanDerWaalsContact O-N 3.09Å; K82-G85 WeakPolarHBondContact O-CA 3.31Å; K82-G85 PolarHBondContact O-N 3Å; K82-G85 VanDerWaalsContact O-N 3.09Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.11Å; G85-K89 WeakPolarHBondContact O-CG 3.09Å
86	T	98	Very high	97.1	Very high	91 Å²	91	71.9 Å²	71.9	56%	0.558	38%	0.379	S	S	*	.	H	α-helix	trans	-73.9	-45.7	175.1	47.8	0	0	0	0	111.7	K82 R83 L84 W88 K89 S90	K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 VanDerWaalsContact O-N 3.12Å; R83-T86 WeakPolarHBondContact CA-OG1 3.45Å; R83-T86 PolarHBondContact O-N 3.43Å; R83-T86 VanDerWaalsContact O-N 3.15Å; R83-T86 PolarHBondContact O-OG1 2.87Å; L84-T86 VanDerWaalsContact C-N 3.33Å; T86-W88 VanDerWaalsContact C-N 3.35Å; T86-W88 PolarHBondContact O-N 2.89Å; T86-K89 WeakPolarHBondContact O-CB 3.24Å; T86-K89 PolarHBondContact O-N 2.94Å; T86-K89 VanDerWaalsContact O-N 3.11Å; T86-S90 PolarHBondContact O-N 2.91Å
87	E	97.5	Very high	97.2	Very high	73 Å²	73	72.9 Å²	72.9	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.7	-74.1	172.6	-153.8	0	0	111.8	W60 R83 K89 S90 L91	W60-E87 HydrophobicContact CH2-CB 3.8Å; W60-E87 HydrophobicContact CZ2-CB 4.22Å; R83-E87 WeakPolarHBondContact O-CG 3.34Å; R83-E87 PolarHBondContact O-N 3.21Å; E87-K89 PolarHBondContact O-N 2.99Å; E87-S90 WeakPolarHBondContact CA-OG 2.83Å; E87-S90 PolarHBondContact O-N 2.71Å; E87-S90 PolarHBondContact O-OG 3.15Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 3.12Å; E87-L91 VanDerWaalsContact O-N 3.08Å
88	W	98	Very high	97.3	Very high	45 Å²	45	72 Å²	72	17%	0.17	38%	0.375	C	S	.	.	H	α-helix	trans	-58.5	-34.7	176.3	178.7	-106.2	0	0	0	112.6	A56 F57 W60 L84 T86 L91 K96 F99	A56-W88 HydrophobicContact CB-CH2 4.02Å; A56-W88 HydrophobicContact CB-CZ2 4.07Å; F57-W88 HydrophobicContact CB-CD2 4.41Å; F57-W88 HydrophobicContact CD2-CB 3.78Å; F57-W88 AromaticContact CD2-CD1 3.93Å; F57-W88 AromaticContact CD2-CD2 3.93Å; F57-W88 HydrophobicContact CD2-CD2 3.93Å; F57-W88 HydrophobicContact CD2-CE3 4.48Å; F57-W88 AromaticContact CD2-CG 3.57Å; F57-W88 HydrophobicContact CD2-CG 3.57Å; F57-W88 HydrophobicContact CE2-CB 3.94Å; F57-W88 HydrophobicContact CE2-CG 4.24Å; W60-W88 HydrophobicContact CB-CE3 4.12Å; W60-W88 HydrophobicContact CB-CZ3 3.69Å; W60-W88 AromaticContact CD2-CE3 3.55Å; W60-W88 HydrophobicContact CD2-CE3 3.55Å; W60-W88 AromaticContact CD2-CZ3 3.99Å; W60-W88 HydrophobicContact CD2-CZ3 3.99Å; W60-W88 HydrophobicContact CE3-CB 4.19Å; W60-W88 HydrophobicContact CE3-CD2 4.27Å; W60-W88 AromaticContact CE3-CE3 3.57Å; W60-W88 HydrophobicContact CE3-CE3 3.57Å; W60-W88 HydrophobicContact CE3-CZ3 4.34Å; W60-W88 AromaticContact CG-CE3 3.81Å; W60-W88 HydrophobicContact CG-CE3 3.81Å; W60-W88 AromaticContact CG-CZ3 3.71Å; W60-W88 HydrophobicContact CG-CZ3 3.71Å; W60-W88 HydrophobicContact CH2-CB 4.12Å; W60-W88 HydrophobicContact CZ3-CB 3.72Å; W60-W88 HydrophobicContact CZ3-CE3 4.22Å; L84-W88 VanDerWaalsContact O-CB 3.31Å; L84-W88 WeakPolarHBondContact O-CB 3.35Å; L84-W88 PolarHBondContact O-N 3.08Å; T86-W88 VanDerWaalsContact C-N 3.35Å; T86-W88 PolarHBondContact O-N 2.89Å; W88-L91 HydrophobicContact CE3-CD1 3.92Å; W88-L91 HydrophobicContact CZ3-CD1 4.3Å; W88-K96 HydrophobicContact CE3-CG 4.48Å; W88-K96 HydrophobicContact CH2-CB 4.02Å; W88-K96 HydrophobicContact CH2-CD 4.42Å; W88-K96 HydrophobicContact CH2-CG 3.7Å; W88-K96 HydrophobicContact CZ2-CB 4.45Å; W88-K96 HydrophobicContact CZ2-CD 4.19Å; W88-K96 HydrophobicContact CZ2-CG 3.97Å; W88-K96 HydrophobicContact CZ3-CG 3.97Å; W88-K96 WeakPolarHBondContact O-CE 3.27Å; W88-K96 PolarHBondContact O-NZ 3.31Å; W88-F99 HydrophobicContact CH2-CB 4.27Å; W88-F99 HydrophobicContact CZ3-CB 4.47Å; W88-F99 HydrophobicContact CZ3-CD2 4.31Å
89	K	97.8	Very high	97.4	Very high	169 Å²	169	69.6 Å²	69.6	74%	0.735	36%	0.357	S	S	*	.	H	α-helix	trans	-72.5	-35.5	177.9	-70.9	174.9	-178.7	-177	0	111.7	G85 T86 E87	G85-K89 WeakPolarHBondContact O-CG 3.09Å; T86-K89 WeakPolarHBondContact O-CB 3.24Å; T86-K89 PolarHBondContact O-N 2.94Å; T86-K89 VanDerWaalsContact O-N 3.11Å; E87-K89 PolarHBondContact O-N 2.99Å
90	S	97.3	Very high	97.4	Very high	95 Å²	95	68.2 Å²	68.2	66%	0.664	35%	0.351	S	S	*	.	H	α-helix	trans	-76.1	-21.8	179.9	61.1	0	0	0	0	114.2	T86 E87	T86-S90 PolarHBondContact O-N 2.91Å; E87-S90 WeakPolarHBondContact CA-OG 2.83Å; E87-S90 PolarHBondContact O-N 2.71Å; E87-S90 PolarHBondContact O-OG 3.15Å
91	L	96.5	Very high	97.4	Very high	35 Å²	35	71.9 Å²	71.9	18%	0.183	37%	0.371	C	S	.	.	S	Bend	trans	-60.9	138.8	174.8	-68.3	174.7	0	0	0	111.7	W60 E87 W88 E95 K96	W60-L91 HydrophobicContact CD2-CD1 4.44Å; W60-L91 HydrophobicContact CZ2-CD1 3.83Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 3.12Å; E87-L91 VanDerWaalsContact O-N 3.08Å; W88-L91 HydrophobicContact CE3-CD1 3.92Å; W88-L91 HydrophobicContact CZ3-CD1 4.3Å; L91-E95 HydrophobicContact CB-CB 4.35Å; L91-E95 HydrophobicContact CD2-CB 4.3Å; L91-K96 HydrophobicContact CB-CG 4.14Å; L91-K96 VanDerWaalsContact O-CE 3.3Å; L91-K96 WeakPolarHBondContact O-CE 3.4Å; L91-K96 PolarHBondContact O-NZ 3.34Å
92	T	97.7	Very high	97.3	Very high	77 Å²	77	71.5 Å²	71.5	47%	0.472	37%	0.365	S	S	.	.			trans	-67.5	158.7	173.7	63.4	0	0	0	0	111.1	A94 E95 K96	T92-A94 PolarHBondContact O-N 2.85Å; T92-E95 WeakPolarHBondContact CB-OE2 3.5Å; T92-E95 PolarHBondContact N-OE2 2.99Å; T92-E95 PolarHBondContact O-N 3.18Å; T92-E95 VanDerWaalsContact OG1-CG 3.26Å; T92-E95 WeakPolarHBondContact OG1-CG 3.31Å; T92-E95 PolarHBondContact OG1-N 3.09Å; T92-E95 PolarHBondContact OG1-OE2 3.31Å; T92-K96 WeakPolarHBondContact O-CG 3.41Å; T92-K96 PolarHBondContact O-N 3.09Å
93	E	96.3	Very high	97.3	Very high	109 Å²	109	65.3 Å²	65.3	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-34.7	176.5	-171.4	58.7	-156.5	0	0	111.5	E95 K96 R97 I100	E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.47Å; E93-K96 PolarHBondContact O-N 3.2Å; E93-K96 VanDerWaalsContact O-N 3.15Å; E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.41Å; E93-R97 PolarHBondContact O-N 3.02Å; E93-I100 WeakPolarHBondContact OE1-CD1 3.23Å
94	A	97.2	Very high	97.3	Very high	71 Å²	71	65 Å²	65	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-59.6	-42.6	175.4	0	0	0	0	0	112.3	T92 K96	T92-A94 PolarHBondContact O-N 2.85Å; A94-K96 VanDerWaalsContact C-N 3.34Å
95	E	96.5	Very high	97.4	Very high	73 Å²	73	69 Å²	69	34%	0.341	36%	0.355	S	S	.	.	H	α-helix	trans	-70.7	-30.1	175.8	-68.6	167.5	122.3	0	0	112.6	L91 T92 E93 P98 F99	L91-E95 HydrophobicContact CB-CB 4.35Å; L91-E95 HydrophobicContact CD2-CB 4.3Å; T92-E95 WeakPolarHBondContact CB-OE2 3.5Å; T92-E95 PolarHBondContact N-OE2 2.99Å; T92-E95 PolarHBondContact O-N 3.18Å; T92-E95 VanDerWaalsContact OG1-CG 3.26Å; T92-E95 WeakPolarHBondContact OG1-CG 3.31Å; T92-E95 PolarHBondContact OG1-N 3.09Å; T92-E95 PolarHBondContact OG1-OE2 3.31Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.47Å; E95-P98 WeakPolarHBondContact O-CD 3.28Å; E95-P98 WeakPolarHBondContact O-CG 3.34Å; E95-F99 WeakPolarHBondContact O-CD2 3.46Å; E95-F99 WeakPolarHBondContact O-CE2 3.48Å
96	K	97.6	Very high	97.3	Very high	29 Å²	29	69.2 Å²	69.2	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-75.4	-31.3	177	-70.3	168	169.4	146.7	0	112.9	W88 L91 T92 E93 A94 F99 I100	W88-K96 HydrophobicContact CE3-CG 4.48Å; W88-K96 HydrophobicContact CH2-CB 4.02Å; W88-K96 HydrophobicContact CH2-CD 4.42Å; W88-K96 HydrophobicContact CH2-CG 3.7Å; W88-K96 HydrophobicContact CZ2-CB 4.45Å; W88-K96 HydrophobicContact CZ2-CD 4.19Å; W88-K96 HydrophobicContact CZ2-CG 3.97Å; W88-K96 HydrophobicContact CZ3-CG 3.97Å; W88-K96 WeakPolarHBondContact O-CE 3.27Å; W88-K96 PolarHBondContact O-NZ 3.31Å; L91-K96 HydrophobicContact CB-CG 4.14Å; L91-K96 VanDerWaalsContact O-CE 3.3Å; L91-K96 WeakPolarHBondContact O-CE 3.4Å; L91-K96 PolarHBondContact O-NZ 3.34Å; T92-K96 WeakPolarHBondContact O-CG 3.41Å; T92-K96 PolarHBondContact O-N 3.09Å; E93-K96 PolarHBondContact O-N 3.2Å; E93-K96 VanDerWaalsContact O-N 3.15Å; A94-K96 VanDerWaalsContact C-N 3.34Å; K96-F99 PolarHBondContact O-N 2.82Å; K96-I100 HydrophobicContact CB-CD1 3.8Å; K96-I100 HydrophobicContact CB-CG1 4.38Å; K96-I100 WeakPolarHBondContact O-CG1 3.26Å; K96-I100 PolarHBondContact O-N 3.02Å
97	R	97.3	Very high	97.3	Very high	157 Å²	157	70.6 Å²	70.6	59%	0.592	35%	0.346	S	S	*	.	H	α-helix	trans	-45.1	-52.3	-177.2	-74.7	-153.7	178.8	145.5	-0.3	114.9	E93 F99 I100 D101	E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.41Å; E93-R97 PolarHBondContact O-N 3.02Å; R97-F99 PolarHBondContact O-N 3.08Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 3.5Å; R97-I100 VanDerWaalsContact O-N 3.08Å; R97-D101 PolarHBondContact O-N 3.42Å
98	P	97	Very high	97.2	Very high	58 Å²	58	71 Å²	71	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-36.4	-179.8	21.3	-34.1	0	0	0	112.9	E95 E102	E95-P98 WeakPolarHBondContact O-CD 3.28Å; E95-P98 WeakPolarHBondContact O-CG 3.34Å; P98-E102 VanDerWaalsContact O-CB 3.27Å; P98-E102 WeakPolarHBondContact O-CB 3.49Å; P98-E102 PolarHBondContact O-N 3.14Å
99	F	97.6	Very high	97.2	Very high	13 Å²	13	70.7 Å²	70.7	6%	0.057	36%	0.36	C	S	.	.	H	α-helix	trans	-77.6	-31.2	178.4	-53.6	-70.5	0	0	0	112.6	V59 W60 W88 E95 K96 R97 A103 N277 L281	V59-F99 HydrophobicContact CG1-CD1 4.2Å; W60-F99 HydrophobicContact CB-CB 4.27Å; W60-F99 HydrophobicContact CB-CD1 3.78Å; W60-F99 HydrophobicContact CB-CD2 4.17Å; W60-F99 HydrophobicContact CB-CE1 4.16Å; W60-F99 HydrophobicContact CB-CG 3.79Å; W60-F99 AromaticContact CD1-CD2 3.88Å; W60-F99 AromaticContact CD1-CE1 3.94Å; W60-F99 AromaticContact CD1-CE2 3.49Å; W60-F99 VanDerWaalsContact CD1-CE2 3.49Å; W60-F99 AromaticContact CD1-CZ 3.53Å; W60-F99 HydrophobicContact CG-CD1 4.48Å; W60-F99 HydrophobicContact CG-CD2 4.33Å; W60-F99 HydrophobicContact CG-CE1 4.48Å; W60-F99 HydrophobicContact CG-CE2 4.33Å; W60-F99 HydrophobicContact CG-CG 4.41Å; W60-F99 HydrophobicContact CG-CZ 4.42Å; W88-F99 HydrophobicContact CH2-CB 4.27Å; W88-F99 HydrophobicContact CZ3-CB 4.47Å; W88-F99 HydrophobicContact CZ3-CD2 4.31Å; E95-F99 WeakPolarHBondContact O-CD2 3.46Å; E95-F99 WeakPolarHBondContact O-CE2 3.48Å; K96-F99 PolarHBondContact O-N 2.82Å; R97-F99 PolarHBondContact O-N 3.08Å; F99-A103 VanDerWaalsContact O-CB 3.28Å; F99-A103 WeakPolarHBondContact O-CB 3.15Å; F99-A103 PolarHBondContact O-N 3.46Å; F99-N277 WeakPolarHBondContact CZ-OD1 3.33Å; F99-L281 HydrophobicContact CE1-CD1 4.1Å
100	I	97.2	Very high	97.2	Very high	36 Å²	36	63.5 Å²	63.5	19%	0.185	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-46.7	173.6	-68.7	168.8	0	0	0	110.2	A56 E93 K96 R97 A103 K104	A56-I100 HydrophobicContact CB-CB 4.5Å; A56-I100 HydrophobicContact CB-CG1 3.86Å; E93-I100 WeakPolarHBondContact OE1-CD1 3.23Å; K96-I100 HydrophobicContact CB-CD1 3.8Å; K96-I100 HydrophobicContact CB-CG1 4.38Å; K96-I100 WeakPolarHBondContact O-CG1 3.26Å; K96-I100 PolarHBondContact O-N 3.02Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 3.5Å; R97-I100 VanDerWaalsContact O-N 3.08Å; I100-A103 PolarHBondContact O-N 2.71Å; I100-K104 WeakPolarHBondContact O-CG 3.5Å; I100-K104 PolarHBondContact O-N 3.26Å
101	D	97.6	Very high	97.1	Very high	81 Å²	81	63.5 Å²	63.5	43%	0.433	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-38.6	-179.6	-66.9	-25.4	0	0	0	111.4	R97 A103 K104 R105	R97-D101 PolarHBondContact O-N 3.42Å; D101-A103 PolarHBondContact O-N 2.99Å; D101-K104 WeakPolarHBondContact O-CB 3.38Å; D101-K104 PolarHBondContact O-N 3.36Å; D101-K104 IonicContact OD1-NZ 2.89Å; D101-K104 PolarHBondContact OD1-NZ 3.5Å; D101-R105 PolarHBondContact O-N 3.15Å
102	E	95.5	Very high	97.1	Very high	28 Å²	28	70.6 Å²	70.6	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-42.1	171	177.6	56.3	-166.3	0	0	112.1	V59 P98 K104 R105 L106	V59-E102 HydrophobicContact CG1-CB 4.36Å; V59-E102 HydrophobicContact CG1-CG 3.74Å; V59-E102 HydrophobicContact CG2-CG 4.43Å; P98-E102 VanDerWaalsContact O-CB 3.27Å; P98-E102 WeakPolarHBondContact O-CB 3.49Å; P98-E102 PolarHBondContact O-N 3.14Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.46Å; E102-R105 WeakPolarHBondContact O-CB 2.98Å; E102-R105 PolarHBondContact O-N 2.84Å; E102-R105 IonicContact OE1-CZ 3.49Å; E102-R105 IonicContact OE1-NE 3.49Å; E102-R105 PolarHBondContact OE1-NE 2.97Å; E102-R105 IonicContact OE1-NH2 2.67Å; E102-R105 PolarHBondContact OE1-NH2 2.78Å; E102-R105 IonicContact OE2-CZ 3.56Å; E102-R105 IonicContact OE2-NE 2.75Å; E102-R105 PolarHBondContact OE2-NE 3.03Å; E102-R105 IonicContact OE2-NH2 3.52Å; E102-L106 HydrophobicContact CG-CD1 4.29Å; E102-L106 WeakPolarHBondContact O-CB 3.07Å; E102-L106 WeakPolarHBondContact O-CG 3.27Å; E102-L106 PolarHBondContact O-N 3.42Å
103	A	97.7	Very high	97.1	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-30.9	174.7	0	0	0	0	0	113.1	A56 V59 F99 I100 D101 R107	A56-A103 HydrophobicContact CB-CB 4.14Å; A56-A103 VanDerWaalsContact N-CB 3.3Å; V59-A103 HydrophobicContact CG2-CB 4.41Å; F99-A103 VanDerWaalsContact O-CB 3.28Å; F99-A103 WeakPolarHBondContact O-CB 3.15Å; F99-A103 PolarHBondContact O-N 3.46Å; I100-A103 PolarHBondContact O-N 2.71Å; D101-A103 PolarHBondContact O-N 2.99Å; A103-R107 WeakPolarHBondContact O-CG 3.49Å; A103-R107 PolarHBondContact O-N 2.86Å; A103-R107 VanDerWaalsContact O-N 3.17Å; A103-R107 PolarHBondContact O-NE 3.32Å; A103-R107 VanDerWaalsContact O-NE 3.08Å
104	K	98.2	Very high	97	Very high	103 Å²	103	69.8 Å²	69.8	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-48.4	169.2	-70	172.2	-167.8	156	0	110.2	I100 D101 E102 L106 R107 S108	I100-K104 WeakPolarHBondContact O-CG 3.5Å; I100-K104 PolarHBondContact O-N 3.26Å; D101-K104 WeakPolarHBondContact O-CB 3.38Å; D101-K104 PolarHBondContact O-N 3.36Å; D101-K104 IonicContact OD1-NZ 2.89Å; D101-K104 PolarHBondContact OD1-NZ 3.5Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.46Å; K104-L106 PolarHBondContact O-N 3.11Å; K104-R107 VanDerWaalsContact CG-NH2 3.31Å; K104-R107 WeakPolarHBondContact O-CB 3.4Å; K104-R107 PolarHBondContact O-N 2.67Å; K104-R107 VanDerWaalsContact O-N 3.13Å; K104-S108 PolarHBondContact O-N 2.75Å; K104-S108 PolarHBondContact O-OG 3.49Å
105	R	98	Very high	96.9	Very high	83 Å²	83	71.8 Å²	71.8	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-49.1	177.6	-169.3	-164	68.1	74.9	3.3	111.7	D101 E102 R107 S108 V109 Y289	D101-R105 PolarHBondContact O-N 3.15Å; E102-R105 WeakPolarHBondContact O-CB 2.98Å; E102-R105 PolarHBondContact O-N 2.84Å; E102-R105 IonicContact OE1-CZ 3.49Å; E102-R105 IonicContact OE1-NE 3.49Å; E102-R105 PolarHBondContact OE1-NE 2.97Å; E102-R105 IonicContact OE1-NH2 2.67Å; E102-R105 PolarHBondContact OE1-NH2 2.78Å; E102-R105 IonicContact OE2-CZ 3.56Å; E102-R105 IonicContact OE2-NE 2.75Å; E102-R105 PolarHBondContact OE2-NE 3.03Å; E102-R105 IonicContact OE2-NH2 3.52Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.13Å; R105-S108 PolarHBondContact O-N 2.9Å; R105-S108 VanDerWaalsContact O-N 3.16Å; R105-V109 WeakPolarHBondContact O-CG2 3.43Å; R105-V109 PolarHBondContact O-N 3.13Å; R105-Y289 VanDerWaalsContact NH2-CD1 3.35Å
106	L	97.3	Very high	96.8	Very high	26 Å²	26	74.6 Å²	74.6	14%	0.136	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-38.6	177.1	-73.2	171.6	0	0	0	112.5	M54 V59 E102 K104 H110	M54-L106 HydrophobicContact CB-CD1 4.23Å; M54-L106 HydrophobicContact CE-CD1 3.91Å; V59-L106 HydrophobicContact CG2-CD1 3.66Å; E102-L106 HydrophobicContact CG-CD1 4.29Å; E102-L106 WeakPolarHBondContact O-CB 3.07Å; E102-L106 WeakPolarHBondContact O-CG 3.27Å; E102-L106 PolarHBondContact O-N 3.42Å; K104-L106 PolarHBondContact O-N 3.11Å; L106-H110 WeakPolarHBondContact O-CB 3.33Å; L106-H110 PolarHBondContact O-N 2.95Å
107	R	96.8	Very high	96.7	Very high	120 Å²	120	75.6 Å²	75.6	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-46.1	173.7	-78.3	178.8	-70.7	-167.9	1.7	111.7	P53 A103 K104 R105 H110 M111	P53-R107 HydrophobicContact CB-CG 4.06Å; P53-R107 HydrophobicContact CG-CG 3.83Å; A103-R107 WeakPolarHBondContact O-CG 3.49Å; A103-R107 PolarHBondContact O-N 2.86Å; A103-R107 VanDerWaalsContact O-N 3.17Å; A103-R107 PolarHBondContact O-NE 3.32Å; A103-R107 VanDerWaalsContact O-NE 3.08Å; K104-R107 VanDerWaalsContact CG-NH2 3.31Å; K104-R107 WeakPolarHBondContact O-CB 3.4Å; K104-R107 PolarHBondContact O-N 2.67Å; K104-R107 VanDerWaalsContact O-N 3.13Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.13Å; R107-H110 WeakPolarHBondContact O-CB 3.44Å; R107-H110 PolarHBondContact O-N 3.13Å; R107-M111 WeakPolarHBondContact O-CG 3.37Å; R107-M111 PolarHBondContact O-N 2.99Å
108	S	97.1	Very high	96.6	Very high	83 Å²	83	74.8 Å²	74.8	58%	0.58	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-45	179.1	-56.4	0	0	0	0	112	K104 R105 H110 M111 K112	K104-S108 PolarHBondContact O-N 2.75Å; K104-S108 PolarHBondContact O-OG 3.49Å; R105-S108 PolarHBondContact O-N 2.9Å; R105-S108 VanDerWaalsContact O-N 3.16Å; S108-H110 VanDerWaalsContact C-N 3.33Å; S108-H110 PolarHBondContact O-N 3.43Å; S108-M111 PolarHBondContact O-N 3.28Å; S108-K112 PolarHBondContact O-N 2.83Å
109	V	96.8	Very high	96.5	Very high	38 Å²	38	77.7 Å²	77.7	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-46	174.7	171.9	0	0	0	0	110.4	R105 M111 K112 E113	R105-V109 WeakPolarHBondContact O-CG2 3.43Å; R105-V109 PolarHBondContact O-N 3.13Å; V109-M111 PolarHBondContact O-N 3.08Å; V109-K112 WeakPolarHBondContact O-CB 3.13Å; V109-K112 PolarHBondContact O-N 3.17Å; V109-K112 VanDerWaalsContact O-N 3.1Å; V109-E113 HydrophobicContact CG1-CG 4.19Å; V109-E113 WeakPolarHBondContact O-CG 3.33Å; V109-E113 PolarHBondContact O-N 3.19Å
110	H	97.5	Very high	96.3	Very high	18 Å²	18	86.1 Å²	86.1	8%	0.083	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-41.9	178.9	-169.2	84.3	0	0	0	113.3	I50 K51 P53 L106 R107 S108 K112 H114 Y117	I50-H110 WeakPolarHBondContact CG2-CE1 3.5Å; K51-H110 PolarHBondContact O-CE1 3.44Å; P53-H110 HydrophobicContact CB-CB 4.03Å; P53-H110 HydrophobicContact CG-CB 4.23Å; L106-H110 WeakPolarHBondContact O-CB 3.33Å; L106-H110 PolarHBondContact O-N 2.95Å; R107-H110 WeakPolarHBondContact O-CB 3.44Å; R107-H110 PolarHBondContact O-N 3.13Å; S108-H110 VanDerWaalsContact C-N 3.33Å; S108-H110 PolarHBondContact O-N 3.43Å; H110-K112 VanDerWaalsContact C-N 3.29Å; H110-K112 PolarHBondContact O-N 2.86Å; H110-H114 AromaticContact CE1-CD2 3.73Å; H110-H114 AromaticContact ND1-CD2 3.82Å; H110-H114 WeakPolarHBondContact O-CB 3.36Å; H110-H114 PolarHBondContact O-N 3.23Å; H110-Y117 AromaticContact CD2-CD1 3.89Å; H110-Y117 AromaticContact NE2-CD1 3.56Å; H110-Y117 AromaticContact NE2-CD2 3.53Å; H110-Y117 AromaticContact NE2-CE1 3.69Å; H110-Y117 AromaticContact NE2-CE2 3.66Å; H110-Y117 AromaticContact NE2-CG 3.46Å; H110-Y117 AromaticContact NE2-CZ 3.72Å
111	M	96.4	Very high	96.2	Very high	95 Å²	95	88.1 Å²	88.1	47%	0.468	42%	0.419	S	S	.	.	H	α-helix	trans	-68.2	-30.3	176.4	-64.4	-53.8	128	0	0	112.3	R107 S108 V109 H114 P115 Y117	R107-M111 WeakPolarHBondContact O-CG 3.37Å; R107-M111 PolarHBondContact O-N 2.99Å; S108-M111 PolarHBondContact O-N 3.28Å; V109-M111 PolarHBondContact O-N 3.08Å; M111-H114 CarbonylContact O-C 3.46Å; M111-P115 WeakPolarHBondContact O-CA 3.45Å; M111-Y117 HydrophobicContact CE-CD1 4.09Å
112	K	96.5	Very high	95.9	Very high	183 Å²	183	94 Å²	94	80%	0.796	44%	0.435	S	S	*	.	H	α-helix	trans	-73.3	-43.6	176.2	-176.8	179.7	177.7	179.9	0	112	S108 V109 H110	S108-K112 PolarHBondContact O-N 2.83Å; V109-K112 WeakPolarHBondContact O-CB 3.13Å; V109-K112 PolarHBondContact O-N 3.17Å; V109-K112 VanDerWaalsContact O-N 3.1Å; H110-K112 VanDerWaalsContact C-N 3.29Å; H110-K112 PolarHBondContact O-N 2.86Å
113	E	96	Very high	95.8	Very high	112 Å²	112	104 Å²	104	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-75.3	-28.7	179.8	-68.5	-179.6	150.3	0	0	112.5	V109	V109-E113 HydrophobicContact CG1-CG 4.19Å; V109-E113 WeakPolarHBondContact O-CG 3.33Å; V109-E113 PolarHBondContact O-N 3.19Å
114	H	95	Very high	95.4	Very high	58 Å²	58	112.2 Å²	112.2	27%	0.269	51%	0.508	S	S	.	.			trans	-132.6	73.9	-177.8	-54.5	-58.9	0	0	0	111.1	I50 H110 M111 D116 Y117	I50-H114 HydrophobicContact CD1-CB 4.11Å; H110-H114 AromaticContact CE1-CD2 3.73Å; H110-H114 AromaticContact ND1-CD2 3.82Å; H110-H114 WeakPolarHBondContact O-CB 3.36Å; H110-H114 PolarHBondContact O-N 3.23Å; M111-H114 CarbonylContact O-C 3.46Å; H114-D116 VanDerWaalsContact C-N 3.25Å; H114-D116 PolarHBondContact O-N 2.98Å; H114-Y117 WeakPolarHBondContact O-CB 3.34Å; H114-Y117 PolarHBondContact O-N 3.08Å; H114-Y117 VanDerWaalsContact O-N 3.11Å
115	P	95.2	Very high	94.9	Very high	113 Å²	113	112.3 Å²	112.3	73%	0.734	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.5	-177.1	26.6	-34.9	0	0	0	113.8	M111 Y117	M111-P115 WeakPolarHBondContact O-CA 3.45Å; P115-Y117 VanDerWaalsContact C-N 3.35Å
116	D	94.5	Very high	94.1	Very high	131 Å²	131	115.5 Å²	115.5	70%	0.701	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	176.2	67.6	-39	0	0	0	113.2	H114 K118	H114-D116 VanDerWaalsContact C-N 3.25Å; H114-D116 PolarHBondContact O-N 2.98Å; D116-K118 PolarHBondContact O-N 3.33Å
117	Y	96	Very high	93.2	Very high	50 Å²	50	120.3 Å²	120.3	20%	0.196	56%	0.561	C	S	.	*			trans	-59.5	121.6	-179.4	178.2	-103.5	0	0	0	111.9	I50 R52 H110 M111 H114 P115	I50-Y117 HydrophobicContact CB-CD2 3.88Å; I50-Y117 HydrophobicContact CB-CE2 4.01Å; I50-Y117 HydrophobicContact CD1-CD2 4.45Å; I50-Y117 HydrophobicContact CG2-CD2 3.48Å; I50-Y117 VanDerWaalsContact CG2-CD2 3.48Å; I50-Y117 HydrophobicContact CG2-CE2 3.67Å; I50-Y117 HydrophobicContact CG2-CG 4.47Å; R52-Y117 VanDerWaalsContact CG-OH 3.29Å; R52-Y117 WeakPolarHBondContact CG-OH 3.37Å; H110-Y117 AromaticContact CD2-CD1 3.89Å; H110-Y117 AromaticContact NE2-CD1 3.56Å; H110-Y117 AromaticContact NE2-CD2 3.53Å; H110-Y117 AromaticContact NE2-CE1 3.69Å; H110-Y117 AromaticContact NE2-CE2 3.66Å; H110-Y117 AromaticContact NE2-CG 3.46Å; H110-Y117 AromaticContact NE2-CZ 3.72Å; M111-Y117 HydrophobicContact CE-CD1 4.09Å; H114-Y117 WeakPolarHBondContact O-CB 3.34Å; H114-Y117 PolarHBondContact O-N 3.08Å; H114-Y117 VanDerWaalsContact O-N 3.11Å; P115-Y117 VanDerWaalsContact C-N 3.35Å
118	K	94.5	Very high	91.8	Very high	140 Å²	140	120.5 Å²	120.5	61%	0.609	57%	0.57	S	S	*	*			trans	-129.4	124.1	175.4	-172.7	167.2	-179.1	170.4	0	111.5	D116 R120	D116-K118 PolarHBondContact O-N 3.33Å; K118-R120 HydrophobicContact CG-CG 4.33Å; K118-R120 PolarHBondContact O-N 2.85Å
119	Y	96.1	Very high	90.2	Very high	120 Å²	120	123.8 Å²	123.8	47%	0.471	58%	0.58	S	S	.	*			trans	-68.7	114.1	174.6	173.5	-135.1	0	0	0	111.3	R52 P121	R52-Y119 PolarHBondContact NH1-OH 2.81Å; R52-Y119 PolarHBondContact NH2-OH 3.35Å; Y119-P121 HydrophobicContact CD1-CG 4.46Å; Y119-P121 HydrophobicContact CE1-CB 4.47Å; Y119-P121 HydrophobicContact CE1-CG 3.77Å; Y119-P121 HydrophobicContact CE2-CB 3.81Å; Y119-P121 VanDerWaalsContact CE2-CD 3.45Å; Y119-P121 HydrophobicContact CE2-CG 3.79Å; Y119-P121 WeakPolarHBondContact OH-CB 3.46Å
120	R	93.5	Very high	88.3	Confident	190 Å²	190	129.8 Å²	129.8	72%	0.717	60%	0.603	S	S	*	*			trans	-123	85.4	179.3	-65.5	175.6	-178.5	-97.2	7.7	110.4	K118 R122	K118-R120 HydrophobicContact CG-CG 4.33Å; K118-R120 PolarHBondContact O-N 2.85Å; R120-R122 PolarHBondContact O-N 2.85Å
121	P	93.2	Very high	86.2	Confident	78 Å²	78	134 Å²	134	51%	0.506	62%	0.623	S	S	.	*			trans	-59.2	124.6	178.7	8.1	-13	0	0	0	111.9	Y119 R123	Y119-P121 HydrophobicContact CD1-CG 4.46Å; Y119-P121 HydrophobicContact CE1-CB 4.47Å; Y119-P121 HydrophobicContact CE1-CG 3.77Å; Y119-P121 HydrophobicContact CE2-CB 3.81Å; Y119-P121 VanDerWaalsContact CE2-CD 3.45Å; Y119-P121 HydrophobicContact CE2-CG 3.79Å; Y119-P121 WeakPolarHBondContact OH-CB 3.46Å; P121-R123 PolarHBondContact O-N 3.03Å
122	R	92.9	Very high	84	Confident	205 Å²	205	137 Å²	137	77%	0.774	63%	0.633	S	S	*	*			trans	-76.1	113.4	176.7	-171.5	173.3	-172	-84.6	1.9	110.1	R120	R120-R122 PolarHBondContact O-N 2.85Å
123	R	92.6	Very high	82.1	Confident	236 Å²	236	133.5 Å²	133.5	89%	0.891	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-76.9	125.3	169	-60.6	-155.5	124.2	106.3	2.2	109	P121	P121-R123 PolarHBondContact O-N 3.03Å
124	K	88.8	Confident	80.1	Confident	175 Å²	175	136.4 Å²	136.4	76%	0.761	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-79.2	137.3	167.3	-65.8	-176.3	179.5	-177.6	0	107.7	K126	K124-K126 PolarHBondContact O-N 3.48Å
125	P	87.4	Confident	78.1	Confident	105 Å²	105	136.9 Å²	136.9	68%	0.682	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-58.4	128	173.2	25	-32.3	0	0	0	108.6	N127	P125-N127 PolarHBondContact O-N 2.9Å
126	K	82.8	Confident	75.9	Confident	150 Å²	150	137.7 Å²	137.7	65%	0.652	63%	0.634	S	S	*	*			trans	-75.9	108.3	175.7	-166.4	170.8	-179.1	-177.1	0	106.3	K124 L128	K124-K126 PolarHBondContact O-N 3.48Å; K126-L128 VanDerWaalsContact C-N 3.31Å; K126-L128 HydrophobicContact CB-CD1 4.07Å; K126-L128 HydrophobicContact CG-CD1 4.18Å; K126-L128 VanDerWaalsContact O-CD1 3.23Å; K126-L128 WeakPolarHBondContact O-CD1 3.47Å; K126-L128 PolarHBondContact O-N 3.37Å
127	N	78	Confident	73.7	Confident	127 Å²	127	136.1 Å²	136.1	68%	0.679	63%	0.633	S	S	*	*			trans	-67.5	93.1	170.8	-74.5	-50.7	0	0	0	108.3	P125 L129	P125-N127 PolarHBondContact O-N 2.9Å; N127-L129 PolarHBondContact O-N 2.89Å
128	L	66.4	Low	71.4	Confident	123 Å²	123	140.5 Å²	140.5	64%	0.644	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	177.5	-91.2	76.1	0	0	0	112.5	K126 K130 Q131	K126-L128 VanDerWaalsContact C-N 3.31Å; K126-L128 HydrophobicContact CB-CD1 4.07Å; K126-L128 HydrophobicContact CG-CD1 4.18Å; K126-L128 VanDerWaalsContact O-CD1 3.23Å; K126-L128 WeakPolarHBondContact O-CD1 3.47Å; K126-L128 PolarHBondContact O-N 3.37Å; L128-K130 PolarHBondContact O-N 3.26Å; L128-Q131 PolarHBondContact O-N 3.06Å
129	L	63.8	Low	69.3	Low	152 Å²	152	139 Å²	139	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-68.6	-29.3	-176.8	-61.8	177.9	0	0	0	113.7	N127 Q131	N127-L129 PolarHBondContact O-N 2.89Å; L129-Q131 VanDerWaalsContact C-N 3.34Å
130	K	57.3	Low	67.4	Low	164 Å²	164	139.8 Å²	139.8	71%	0.713	67%	0.673	S	S	*	*	H	α-helix	trans	-84.6	-8.1	175.3	-98.4	166.5	176.7	169.4	0	114	L128	L128-K130 PolarHBondContact O-N 3.26Å
131	Q	53.6	Low	65.1	Low	106 Å²	106	136.4 Å²	136.4	50%	0.495	68%	0.676	S	S	.	*	H	α-helix	trans	-85.8	-24.1	174.5	-148.6	-177.5	-2.3	0	0	111.5	L128 L129 E133 K134 A135	L128-Q131 PolarHBondContact O-N 3.06Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-E133 VanDerWaalsContact C-N 3.25Å; Q131-E133 PolarHBondContact O-N 2.95Å; Q131-K134 PolarHBondContact O-N 3.02Å; Q131-A135 WeakPolarHBondContact O-CB 3.41Å; Q131-A135 PolarHBondContact O-N 3.16Å
132	K	50.6	Low	62.7	Low	158 Å²	158	138.5 Å²	138.5	69%	0.687	69%	0.692	S	S	*	*	H	α-helix	trans	-62.4	-37.2	173.6	-141.8	175.3	178.7	-177.8	0	110.6	K134 A135 Y136	K132-K134 PolarHBondContact O-N 3.1Å; K132-A135 PolarHBondContact O-N 3.47Å; K132-Y136 VanDerWaalsContact C-CD1 3.44Å; K132-Y136 WeakPolarHBondContact O-CD1 3.22Å; K132-Y136 WeakPolarHBondContact O-CE1 3.45Å; K132-Y136 VanDerWaalsContact O-CG 3.3Å; K132-Y136 PolarHBondContact O-N 3.28Å
133	E	56.2	Low	60.6	Low	111 Å²	111	135.3 Å²	135.3	52%	0.519	69%	0.689	S	S	.	*	H	α-helix	trans	-68.3	-32.6	178.3	-51.4	-149.5	131	0	0	116.4	Q131 Y136	Q131-E133 VanDerWaalsContact C-N 3.25Å; Q131-E133 PolarHBondContact O-N 2.95Å; E133-Y136 HydrophobicContact CB-CE1 3.93Å; E133-Y136 HydrophobicContact CB-CE2 4.28Å; E133-Y136 VanDerWaalsContact CB-OH 3.25Å; E133-Y136 WeakPolarHBondContact CB-OH 3.39Å; E133-Y136 HydrophobicContact CG-CE1 3.79Å; E133-Y136 WeakPolarHBondContact CG-OH 3.15Å; E133-Y136 WeakPolarHBondContact O-CE2 3.42Å; E133-Y136 PolarHBondContact OE1-OH 2.97Å
134	K	54.2	Low	58.7	Low	172 Å²	172	128.3 Å²	128.3	75%	0.748	67%	0.674	S	S	*	*	H	α-helix	trans	-87.4	-17.2	174	-63.1	-173.9	179.3	-172.2	0	112.6	Q131 K132	Q131-K134 PolarHBondContact O-N 3.02Å; K132-K134 PolarHBondContact O-N 3.1Å
135	A	52.9	Low	57.3	Low	68 Å²	68	128.9 Å²	128.9	56%	0.562	68%	0.679	S	S	*	*	H	α-helix	trans	-85.5	-26	177.5	0	0	0	0	0	113.2	Q131 K132	Q131-A135 WeakPolarHBondContact O-CB 3.41Å; Q131-A135 PolarHBondContact O-N 3.16Å; K132-A135 PolarHBondContact O-N 3.47Å
136	Y	48.4	Very low	55.8	Low	130 Å²	130	128.5 Å²	128.5	51%	0.51	68%	0.679	S	S	.	*	S	Bend	trans	-88	-8.3	173.4	61	-123.1	0	0	0	114.1	K132 E133 L138 T139	K132-Y136 VanDerWaalsContact C-CD1 3.44Å; K132-Y136 WeakPolarHBondContact O-CD1 3.22Å; K132-Y136 WeakPolarHBondContact O-CE1 3.45Å; K132-Y136 VanDerWaalsContact O-CG 3.3Å; K132-Y136 PolarHBondContact O-N 3.28Å; E133-Y136 HydrophobicContact CB-CE1 3.93Å; E133-Y136 HydrophobicContact CB-CE2 4.28Å; E133-Y136 VanDerWaalsContact CB-OH 3.25Å; E133-Y136 WeakPolarHBondContact CB-OH 3.39Å; E133-Y136 HydrophobicContact CG-CE1 3.79Å; E133-Y136 WeakPolarHBondContact CG-OH 3.15Å; E133-Y136 WeakPolarHBondContact O-CE2 3.42Å; E133-Y136 PolarHBondContact OE1-OH 2.97Å; Y136-L138 VanDerWaalsContact C-N 3.34Å; Y136-T139 PolarHBondContact O-OG1 3.35Å
137	S	48.7	Very low	54.5	Low	98 Å²	98	126.8 Å²	126.8	69%	0.685	68%	0.675	S	S	*	*	S	Bend	trans	-83.3	-9.1	173	-176.8	0	0	0	0	113.4	T139	S137-T139 VanDerWaalsContact C-N 3.27Å; S137-T139 PolarHBondContact O-N 3.06Å
138	L	48.3	Very low	53.5	Low	143 Å²	143	123.8 Å²	123.8	75%	0.749	67%	0.668	S	S	*	*			trans	-97.9	41.2	172.5	-124.8	97	0	0	0	110.3	Y136 L140	Y136-L138 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 2.98Å
139	T	49.8	Very low	52.9	Low	107 Å²	107	125.9 Å²	125.9	66%	0.656	67%	0.674	S	S	*	*			trans	-88.8	93.4	173.9	-49.6	0	0	0	0	106.9	Y136 S137 P141	Y136-T139 PolarHBondContact O-OG1 3.35Å; S137-T139 VanDerWaalsContact C-N 3.27Å; S137-T139 PolarHBondContact O-N 3.06Å; T139-P141 WeakPolarHBondContact O-CD 3.25Å
140	L	55.1	Low	52.5	Low	137 Å²	137	126.2 Å²	126.2	72%	0.717	67%	0.672	S	S	*	*			trans	-54.7	122.4	166	-79.1	107.4	0	0	0	108.2	L138	L138-L140 PolarHBondContact O-N 2.98Å
141	P	46.7	Very low	52.3	Low	120 Å²	120	123.6 Å²	123.6	78%	0.779	67%	0.665	S	S	*	*	S	Bend	trans	-69.4	141.1	164	31.2	-29.4	0	0	0	106.7	T139	T139-P141 WeakPolarHBondContact O-CD 3.25Å
142	C	42	Very low	52.4	Low	122 Å²	122	121.4 Å²	121.4	82%	0.824	67%	0.665	S	S	*	*			trans	90.1	72.2	179.6	-158.7	0	0	0	0	115.2
143	L	50	Low	52.4	Low	137 Å²	137	122.2 Å²	122.2	72%	0.717	67%	0.669	S	S	*	*			trans	-138.3	128.2	146.5	-114.9	100.4	0	0	0	108.9
144	P	52.8	Low	52.5	Low	90 Å²	90	121.3 Å²	121.3	58%	0.584	67%	0.671	S	S	*	*			trans	-64.6	142.6	-177.6	24.1	-31.6	0	0	0	111.9	S146 M147	P144-S146 PolarHBondContact O-N 2.88Å; P144-M147 PolarHBondContact O-N 2.93Å
145	Q	58.4	Low	52.6	Low	186 Å²	186	123.5 Å²	123.5	87%	0.869	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-3.7	-169.1	-149	165.4	-11.8	0	0	114.8
146	S	56.4	Low	52.6	Low	97 Å²	97	127.4 Å²	127.4	68%	0.678	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-8.2	-177.4	60.9	0	0	0	0	115.3	P144	P144-S146 PolarHBondContact O-N 2.88Å
147	M	55.4	Low	52.7	Low	114 Å²	114	129.4 Å²	129.4	56%	0.562	70%	0.698	S	S	*	*	S	Bend	trans	-110.2	-9.7	-177.3	-43.5	-62.4	-81.5	0	0	112.9	P144	P144-M147 PolarHBondContact O-N 2.93Å
148	A	56.2	Low	52.5	Low	65 Å²	65	127.9 Å²	127.9	54%	0.537	70%	0.698	S	S	.	*	H	α-helix	trans	-74.4	-26.1	-172.1	0	0	0	0	0	113.3
149	E	54.9	Low	52	Low	166 Å²	166	126.5 Å²	126.5	78%	0.776	71%	0.707	S	S	*	*	H	α-helix	trans	-76.7	-30.3	-178.6	-64	-171.7	163.4	0	0	112.5	L151 A152	E149-L151 PolarHBondContact O-N 3.35Å; E149-A152 PolarHBondContact O-N 3.18Å
150	H	55.1	Low	51.7	Low	159 Å²	159	128.1 Å²	128.1	74%	0.736	71%	0.705	S	S	*	*	H	α-helix	trans	-74.9	-25	178.9	-159.6	-97.6	0	0	0	113
151	L	53.3	Low	51.2	Low	109 Å²	109	127.5 Å²	127.5	57%	0.571	70%	0.703	S	S	*	*	H	α-helix	trans	-88.2	-11.4	177.3	-65.9	175.2	0	0	0	113.3	E149 T154	E149-L151 PolarHBondContact O-N 3.35Å; L151-T154 PolarHBondContact O-OG1 3.11Å
152	A	54.9	Low	51.2	Low	61 Å²	61	128.3 Å²	128.3	50%	0.504	71%	0.706	S	S	.	*	H	α-helix	trans	-80.1	-31.5	176.2	0	0	0	0	0	112.3	E149 T154 R155	E149-A152 PolarHBondContact O-N 3.18Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 3.32Å; A152-R155 PolarHBondContact O-N 3.48Å
153	F	51.5	Low	51.4	Low	174 Å²	174	126.9 Å²	126.9	76%	0.763	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-68	-29.8	-179.9	-170.5	-106.3	0	0	0	113.3	R155	F153-R155 VanDerWaalsContact C-N 3.31Å; F153-R155 PolarHBondContact O-N 3.2Å
154	T	57.4	Low	51.4	Low	93 Å²	93	123.1 Å²	123.1	57%	0.571	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-83.2	-5.5	-178.7	54.1	0	0	0	0	113.9	L151 A152	L151-T154 PolarHBondContact O-OG1 3.11Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 3.32Å
155	R	56.4	Low	51.2	Low	217 Å²	217	126.9 Å²	126.9	82%	0.819	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-85.3	-7	-178.7	-90.1	178	151.3	156.5	-3.7	115	A152 F153	A152-R155 PolarHBondContact O-N 3.48Å; F153-R155 VanDerWaalsContact C-N 3.31Å; F153-R155 PolarHBondContact O-N 3.2Å
156	N	52.3	Low	50.8	Low	151 Å²	151	121.7 Å²	121.7	81%	0.807	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-92.3	-2	-177.8	-106.8	25.1	0	0	0	115.4	G158	N156-G158 PolarHBondContact O-N 3.1Å
157	F	51.1	Low	50.6	Low	171 Å²	171	119.8 Å²	119.8	75%	0.75	67%	0.669	S	S	*	*	S	Bend	trans	-90.5	106	175	-88.2	-87.7	0	0	0	111
158	G	43.7	Very low	50.2	Low	66 Å²	66	121 Å²	121	68%	0.68	67%	0.668	S	S	*	*			trans	-51.6	146.9	178.7	0	0	0	0	0	113.7	N156 F160	N156-G158 PolarHBondContact O-N 3.1Å; G158-F160 PolarHBondContact O-N 3.4Å; G158-F160 VanDerWaalsContact O-N 3.15Å
159	A	39.5	Very low	49.9	Very low	115 Å²	115	120.8 Å²	120.8	95%	0.95	67%	0.666	S	S	*	*			trans	-53.1	111.4	173.7	0	0	0	0	0	111.6
160	F	43.3	Very low	49.8	Very low	140 Å²	140	118.3 Å²	118.3	61%	0.614	66%	0.662	S	S	*	*			trans	-125.3	158.1	160.6	110.8	-91.1	0	0	0	109.4	G158 D164	G158-F160 PolarHBondContact O-N 3.4Å; G158-F160 VanDerWaalsContact O-N 3.15Å; F160-D164 HydrophobicContact CE1-CB 4.26Å; F160-D164 HydrophobicContact CZ-CB 3.84Å
161	D	44.9	Very low	49.6	Very low	124 Å²	124	113.5 Å²	113.5	66%	0.663	65%	0.649	S	S	*	*			trans	-39.9	154	-156.9	-69.2	-81.6	0	0	0	120.9	A163	D161-A163 PolarHBondContact O-N 2.91Å
162	T	45.7	Very low	49.2	Very low	138 Å²	138	112.2 Å²	112.2	85%	0.847	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	18.8	-175.2	-53	0	0	0	0	113.8
163	A	47.4	Very low	49	Very low	91 Å²	91	114.1 Å²	114.1	75%	0.752	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-18.9	178.4	0	0	0	0	0	113.8	D161	D161-A163 PolarHBondContact O-N 2.91Å
164	D	48.5	Very low	48.9	Very low	58 Å²	58	108.9 Å²	108.9	31%	0.31	65%	0.647	S	S	.	*	S	Bend	trans	-99.8	-1	-170.9	-151	-109.3	0	0	0	114.4	F160 A166 A167 R168	F160-D164 HydrophobicContact CE1-CB 4.26Å; F160-D164 HydrophobicContact CZ-CB 3.84Å; D164-A166 VanDerWaalsContact C-N 3.3Å; D164-A166 PolarHBondContact O-N 3.01Å; D164-A167 PolarHBondContact O-N 3.15Å; D164-R168 PolarHBondContact O-N 3.47Å; D164-R168 VanDerWaalsContact O-N 3.13Å; D164-R168 WeakPolarHBondContact OD1-CD 3.38Å; D164-R168 VanDerWaalsContact OD1-CG 3.27Å; D164-R168 WeakPolarHBondContact OD1-CG 3.29Å
165	K	48.8	Very low	48.3	Very low	169 Å²	169	111.4 Å²	111.4	74%	0.735	66%	0.656	S	S	*	*	H	α-helix	trans	-68.5	-23.4	-177.5	-85.6	-173.1	178.2	-167.5	0	114.4	A169	K165-A169 VanDerWaalsContact O-CB 3.29Å; K165-A169 WeakPolarHBondContact O-CB 3.29Å; K165-A169 PolarHBondContact O-N 3.19Å
166	A	50	Low	47.9	Very low	77 Å²	77	109 Å²	109	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-78.6	-35.5	173.4	0	0	0	0	0	111.8	D164 V170	D164-A166 VanDerWaalsContact C-N 3.3Å; D164-A166 PolarHBondContact O-N 3.01Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å
167	A	53	Low	48	Very low	57 Å²	57	106.2 Å²	106.2	47%	0.471	65%	0.652	S	S	.	*	H	α-helix	trans	-72.6	-37.6	-180	0	0	0	0	0	112.5	D164 A171	D164-A167 PolarHBondContact O-N 3.15Å; A167-A171 WeakPolarHBondContact O-CB 3.43Å; A167-A171 PolarHBondContact O-N 3.28Å; A167-A171 VanDerWaalsContact O-N 3.09Å
168	R	46.6	Very low	47.7	Very low	140 Å²	140	101.6 Å²	101.6	53%	0.528	65%	0.652	S	S	.	*	H	α-helix	trans	-83.1	-21.9	179.7	-63.7	-178.9	77.9	177.8	7.1	114.2	D164 V170 A171 C172	D164-R168 PolarHBondContact O-N 3.47Å; D164-R168 VanDerWaalsContact O-N 3.13Å; D164-R168 WeakPolarHBondContact OD1-CD 3.38Å; D164-R168 VanDerWaalsContact OD1-CG 3.27Å; D164-R168 WeakPolarHBondContact OD1-CG 3.29Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-A171 PolarHBondContact O-N 2.8Å; R168-C172 WeakPolarHBondContact O-CB 3.42Å; R168-C172 PolarHBondContact O-N 2.85Å
169	A	50.6	Low	47.9	Very low	61 Å²	61	104.3 Å²	104.3	50%	0.504	66%	0.658	S	S	.	*	H	α-helix	trans	-70.8	-28.5	171.1	0	0	0	0	0	112.1	K165 S173	K165-A169 VanDerWaalsContact O-CB 3.29Å; K165-A169 WeakPolarHBondContact O-CB 3.29Å; K165-A169 PolarHBondContact O-N 3.19Å; A169-S173 PolarHBondContact O-OG 3.2Å
170	V	52.1	Low	48.1	Very low	114 Å²	114	105 Å²	105	69%	0.691	65%	0.652	S	S	*	*	H	α-helix	trans	-82.8	-32.8	171.9	-175.7	0	0	0	0	111.2	A166 R168	A166-V170 WeakPolarHBondContact O-CG2 3.45Å; R168-V170 VanDerWaalsContact C-N 3.31Å
171	A	50.6	Low	48.3	Very low	57 Å²	57	103.4 Å²	103.4	47%	0.471	66%	0.659	S	S	.	*	H	α-helix	trans	-76.5	-24.9	177.3	0	0	0	0	0	114.7	A167 R168	A167-A171 WeakPolarHBondContact O-CB 3.43Å; A167-A171 PolarHBondContact O-N 3.28Å; A167-A171 VanDerWaalsContact O-N 3.09Å; R168-A171 PolarHBondContact O-N 2.8Å
172	C	45.2	Very low	48.4	Very low	82 Å²	82	102.5 Å²	102.5	55%	0.554	66%	0.662	S	S	*	*	S	Bend	trans	-88.7	-12.3	177.8	-78	0	0	0	0	114.3	R168 A174	R168-C172 WeakPolarHBondContact O-CB 3.42Å; R168-C172 PolarHBondContact O-N 2.85Å; C172-A174 VanDerWaalsContact C-N 3.33Å
173	S	49.7	Very low	48.5	Very low	101 Å²	101	102 Å²	102	71%	0.706	66%	0.658	S	S	*	*	S	Bend	trans	-84.8	-6.3	170.3	-69.4	0	0	0	0	113.4	A169	A169-S173 PolarHBondContact O-OG 3.2Å
174	A	49.9	Very low	48.2	Very low	64 Å²	64	102.9 Å²	102.9	53%	0.529	66%	0.659	S	S	.	*	S	Bend	trans	-96.5	2.4	-179.5	0	0	0	0	0	114.4	C172	C172-A174 VanDerWaalsContact C-N 3.33Å
175	L	45.2	Very low	48.1	Very low	146 Å²	146	111.2 Å²	111.2	76%	0.764	69%	0.688	S	S	*	*	S	Bend	trans	-105.8	12.3	-173.9	-67.2	173.2	0	0	0	114.4
176	L	48.3	Very low	48.5	Very low	167 Å²	167	109.2 Å²	109.2	87%	0.874	69%	0.692	S	S	*	*	S	Bend	trans	-121.5	17.1	177.2	-84.5	121.4	0	0	0	114
177	S	53	Low	48.1	Very low	93 Å²	93	111 Å²	111	65%	0.65	70%	0.7	S	S	*	*	S	Bend	trans	-139.1	97.3	175.9	59	0	0	0	0	111.7
178	G	45.6	Very low	47.7	Very low	73 Å²	73	113.1 Å²	113.1	75%	0.753	72%	0.718	S	S	*	*			trans	68.4	140.1	142.1	0	0	0	0	0	119.3
179	P	48	Very low	47.7	Very low	124 Å²	124	110.8 Å²	110.8	81%	0.805	73%	0.728	S	S	*	*			trans	-83.3	173.5	-169.2	38.5	-37.4	0	0	0	113.7
180	P	43.8	Very low	47.1	Very low	129 Å²	129	110.4 Å²	110.4	84%	0.838	73%	0.73	S	S	*	*			trans	-89	139	-143.2	35.2	-33.7	0	0	0	113.3
181	S	46.8	Very low	46.6	Very low	107 Å²	107	115.2 Å²	115.2	75%	0.748	74%	0.742	S	S	*	*			trans	-128.3	110.8	160.7	38	0	0	0	0	108.4
182	S	46.4	Very low	46.3	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	76%	0.763	S	S	*	*			trans	38	135.2	140.6	59.1	0	0	0	0	120
183	V	48	Very low	46.2	Very low	127 Å²	127	125.4 Å²	125.4	77%	0.77	78%	0.777	S	S	*	*			trans	117.2	100.5	144.3	-168	0	0	0	0	116
184	S	42.2	Very low	45.9	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	78%	0.779	S	S	*	*			trans	64.5	112.5	135.6	-56	0	0	0	0	122.6
185	Y	45.8	Very low	45.7	Very low	232 Å²	232	127.5 Å²	127.5	91%	0.91	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-75.5	140.5	149.9	-68.6	-88.5	0	0	0	110.8
186	P	57.7	Low	45.8	Very low	128 Å²	128	128.2 Å²	128.2	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-87.5	118.4	150.5	29.8	-23.9	0	0	0	109.9
187	S	42.1	Very low	45.4	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62.7	131.4	161.5	176.8	0	0	0	0	110.1
188	A	44.9	Very low	44.8	Very low	102 Å²	102	128.2 Å²	128.2	84%	0.843	79%	0.788	S	S	*	*			trans	-118.3	85.8	160	0	0	0	0	0	108.2
189	A	44.9	Very low	44.9	Very low	91 Å²	91	131.4 Å²	131.4	75%	0.752	79%	0.793	S	S	*	*			trans	-52.3	151.9	146.7	0	0	0	0	0	108.9
190	G	38.2	Very low	44.7	Very low	52 Å²	52	130 Å²	130	54%	0.536	79%	0.792	S	S	.	*			cis	161.4	122.8	6.8	0	0	0	0	0	104.2
191	F	42.7	Very low	44.4	Very low	215 Å²	215	133 Å²	133	94%	0.943	80%	0.795	S	S	*	*			trans	-145.3	85.1	166	-73.7	-69.7	0	0	0	108.2
192	Y	44.7	Very low	44.3	Very low	233 Å²	233	132.7 Å²	132.7	91%	0.914	79%	0.793	S	S	*	*			trans	-95.6	117.6	156.3	-91.4	-87.1	0	0	0	107.5
193	S	41.7	Very low	44.3	Very low	121 Å²	121	137 Å²	137	85%	0.846	80%	0.799	S	S	*	*			trans	-176.8	112.6	135.1	-88.1	0	0	0	0	110.5
194	S	43.2	Very low	44.2	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	80%	0.803	S	S	*	*			trans	-64.1	-167.1	153.1	-45.2	0	0	0	0	109.9
195	P	47.6	Very low	44.7	Very low	102 Å²	102	140.7 Å²	140.7	66%	0.662	80%	0.8	S	S	*	*			cis	-146.7	-174.8	1.4	33.5	-7.6	0	0	0	116
196	L	46.6	Very low	44.5	Very low	160 Å²	160	135.1 Å²	135.1	84%	0.838	79%	0.787	S	S	*	*			trans	77.1	114.4	154.9	-46.6	175.8	0	0	0	119.3
197	D	38.6	Very low	43.5	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	78%	0.783	S	S	*	*				-173.1	130.7	101.2	-159.8	6.3	0	0	0	110.6
198	P	42.4	Very low	43.4	Very low	107 Å²	107	136 Å²	136	70%	0.695	78%	0.781	S	S	*	*			trans	-116.2	110.3	175.7	34.6	-19.1	0	0	0	111.5
199	T	47.6	Very low	43.3	Very low	141 Å²	141	135.5 Å²	135.5	87%	0.865	77%	0.771	S	S	*	*			trans	-167.4	153.2	159	-72.7	0	0	0	0	109.8
200	A	42.9	Very low	43.3	Very low	94 Å²	94	136.4 Å²	136.4	78%	0.777	77%	0.767	S	S	*	*			trans	98.4	80.9	170.1	0	0	0	0	0	116.5
201	Q	38.5	Very low	43.5	Very low	192 Å²	192	142.2 Å²	142.2	90%	0.897	79%	0.785	S	S	*	*			trans	-54	161	147.5	-66.7	176.4	-17.4	0	0	111.7
202	S	43.6	Very low	43.7	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	78%	0.78	S	S	*	*			trans	85.2	95.7	160.8	-160.7	0	0	0	0	116
203	K	46.9	Very low	43.6	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	78%	0.779	S	S	*	*				-179.5	115.3	108.1	-88.6	154.8	-165.5	-175	0	111.3
204	F	44.9	Very low	43.4	Very low	196 Å²	196	138.1 Å²	138.1	86%	0.86	78%	0.777	S	S	*	*			trans	-21.3	126.7	149.6	-143.5	-113.8	0	0	0	114.3
205	T	53.3	Low	43.6	Very low	118 Å²	118	139.5 Å²	139.5	72%	0.724	78%	0.781	S	S	*	*				155.7	130.3	119.1	41.4	0	0	0	0	112.6
206	D	42.6	Very low	43.2	Very low	116 Å²	116	140 Å²	140	62%	0.62	79%	0.787	S	S	*	*			trans	57	102.8	146.9	-154	3.4	0	0	0	119.5	S208	D206-S208 PolarHBondContact OD1-N 2.97Å; D206-S208 PolarHBondContact OD1-OG 2.89Å; D206-S208 VanDerWaalsContact OD1-OG 3.1Å
207	M	36.4	Very low	42.9	Very low	153 Å²	153	136 Å²	136	75%	0.754	79%	0.785	S	S	*	*			trans	-134.7	67.5	154.6	-79	-72.2	112.7	0	0	108.5	S209 V210	M207-S209 PolarHBondContact O-N 3.08Å; M207-V210 HydrophobicContact SD-CG2 3.89Å
208	S	39.3	Very low	42.8	Very low	107 Å²	107	138 Å²	138	75%	0.748	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	12.5	168.1	60.6	0	0	0	0	114.4	D206	D206-S208 PolarHBondContact OD1-N 2.97Å; D206-S208 PolarHBondContact OD1-OG 2.89Å; D206-S208 VanDerWaalsContact OD1-OG 3.1Å
209	S	42.7	Very low	42.6	Very low	91 Å²	91	137.1 Å²	137.1	64%	0.636	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.8	7.8	-172.3	53.4	0	0	0	0	116.7	M207	M207-S209 PolarHBondContact O-N 3.08Å
210	V	46	Very low	42.3	Very low	111 Å²	111	139.3 Å²	139.3	67%	0.673	79%	0.788	S	S	*	*	S	Bend	trans	-117.4	42.8	-176.9	-162	0	0	0	0	113.4	M207	M207-V210 HydrophobicContact SD-CG2 3.89Å
211	L	42	Very low	42.2	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	79%	0.785	S	S	*	*	S	Bend	trans	-135.6	27.5	165.4	-150.7	74.7	0	0	0	113.7
212	Q	46.9	Very low	42.5	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	78%	0.778	S	S	*	*	S	Bend	trans	-114.9	16.2	174.5	-76.5	-170.1	-6.3	0	0	114
213	K	41.2	Very low	42.5	Very low	204 Å²	204	139.1 Å²	139.1	89%	0.887	79%	0.789	S	S	*	*	S	Bend	trans	-132.7	35.3	-176.4	-139.6	167.5	-172.8	-179.7	0	115.5
214	A	38.3	Very low	42.7	Very low	97 Å²	97	134.7 Å²	134.7	80%	0.802	78%	0.78	S	S	*	*	S	Bend	trans	-125.8	10.3	171.4	0	0	0	0	0	113.9
215	T	48.2	Very low	42.3	Very low	136 Å²	136	134.6 Å²	134.6	83%	0.834	78%	0.78	S	S	*	*	S	Bend	trans	-111.6	57.7	177.4	65.9	0	0	0	0	111.1
216	S	39.3	Very low	41.8	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	79%	0.785	S	S	*	*	S	Bend	trans	-161.5	72.5	169.3	61	0	0	0	0	108.9
217	G	39.9	Very low	41.8	Very low	77 Å²	77	141.6 Å²	141.6	79%	0.794	79%	0.792	S	S	*	*	S	Bend	trans	167.4	36.7	-177.4	0	0	0	0	0	115.5
218	F	35.2	Very low	42.3	Very low	195 Å²	195	143.3 Å²	143.3	86%	0.855	80%	0.798	S	S	*	*			trans	-155.4	62.3	162.7	-159.7	-105.9	0	0	0	110.2
219	A	39.9	Very low	42.4	Very low	88 Å²	88	143.3 Å²	143.3	73%	0.727	80%	0.796	S	S	*	*			trans	-140.3	85.4	167.4	0	0	0	0	0	106.5
220	Q	40	Very low	42.4	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.874	81%	0.806	S	S	*	*			trans	162.3	139.8	158.7	-89.3	160.2	41.5	0	0	108.1
221	A	40.9	Very low	42.2	Very low	84 Å²	84	146.6 Å²	146.6	69%	0.694	81%	0.808	S	S	*	*	S	Bend	trans	79.9	105.1	-167.3	0	0	0	0	0	112.5
222	V	44.3	Very low	42.1	Very low	126 Å²	126	142.7 Å²	142.7	76%	0.764	80%	0.801	S	S	*	*			cis	-152.5	115.4	32.3	-76.2	0	0	0	0	109.8
223	N	44.1	Very low	42.3	Very low	172 Å²	172	139.6 Å²	139.6	92%	0.92	80%	0.796	S	S	*	*			trans	-118.1	102.7	152.4	-92	-37.1	0	0	0	104.6
224	P	50.5	Low	42.6	Very low	103 Å²	103	135.8 Å²	135.8	67%	0.669	80%	0.796	S	S	*	*			trans	-88.7	128	171.3	4.1	15.2	0	0	0	109.7
225	F	38.3	Very low	42.8	Very low	194 Å²	194	134.6 Å²	134.6	85%	0.851	79%	0.793	S	S	*	*			trans	72.7	100.1	154.9	-77	-95.9	0	0	0	116.6
226	Y	42.7	Very low	42.5	Very low	215 Å²	215	135.7 Å²	135.7	84%	0.843	79%	0.793	S	S	*	*				54	119.5	59.1	-99.9	-81.6	0	0	0	115.2
227	H	41.9	Very low	42.8	Very low	165 Å²	165	141.4 Å²	141.4	76%	0.764	80%	0.799	S	S	*	*			trans	-31	143.8	173.3	-71.8	-91.6	0	0	0	118
228	H	46.1	Very low	43.6	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.875	79%	0.794	S	S	*	*				-166.5	150.4	123	-98.7	-68.4	0	0	0	111.1
229	P	42.9	Very low	44.7	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	79%	0.793	S	S	*	*			trans	-98.1	-178.2	-167	39.3	-33.5	0	0	0	113.9
230	H	42.1	Very low	45.5	Very low	183 Å²	183	141.1 Å²	141.1	85%	0.847	80%	0.798	S	S	*	*			trans	113.4	124.4	154.7	-113.6	-90.7	0	0	0	119.2
231	A	40.6	Very low	46	Very low	87 Å²	87	136.3 Å²	136.3	72%	0.719	80%	0.799	S	S	*	*			trans	72.3	113.2	150.3	0	0	0	0	0	120.9
232	A	41.8	Very low	46.4	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	81%	0.807	S	S	*	*			trans	-64.7	167.1	161.7	0	0	0	0	0	112.4
233	P	50.8	Low	46.7	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	81%	0.812	S	S	*	*				-144.5	140.8	96.1	33.9	-16.4	0	0	0	116
234	S	46.4	Very low	46.8	Very low	125 Å²	125	139.5 Å²	139.5	87%	0.874	81%	0.809	S	S	*	*				51	129.9	127.5	-46.9	0	0	0	0	122.9
235	G	42.3	Very low	46.7	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	81%	0.811	S	S	*	*			trans	137.8	68.6	156.8	0	0	0	0	0	113.3
236	L	42.4	Very low	47	Very low	159 Å²	159	135 Å²	135	83%	0.832	81%	0.813	S	S	*	*				43.4	111.3	89.6	-75.9	165.2	0	0	0	115.2
237	Y	46.7	Very low	47.2	Very low	232 Å²	232	129.1 Å²	129.1	91%	0.91	81%	0.81	S	S	*	*				-160.1	144.9	121.3	-115.7	-91.8	0	0	0	110
238	P	56.4	Low	47.3	Very low	106 Å²	106	128.9 Å²	128.9	69%	0.688	81%	0.813	S	S	*	*			trans	-115.9	170.8	-147.4	38.7	-25.8	0	0	0	114.9
239	S	56.7	Low	47.2	Very low	120 Å²	120	128.2 Å²	128.2	84%	0.839	81%	0.81	S	S	*	*			trans	-130.8	139.5	161.4	-132.4	0	0	0	0	110
240	P	57.7	Low	47	Very low	128 Å²	128	127 Å²	127	83%	0.831	81%	0.809	S	S	*	*			trans	-98	151.3	-159.9	36.7	-32.8	0	0	0	114.5
241	G	51.4	Low	47.3	Very low	86 Å²	86	123.7 Å²	123.7	89%	0.887	81%	0.806	S	S	*	*			trans	122.2	110.1	144.6	0	0	0	0	0	116.6
242	G	48.9	Very low	47.7	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	81%	0.811	S	S	*	*			trans	144.7	77.5	159.2	0	0	0	0	0	115.8
243	L	49.9	Very low	47.6	Very low	166 Å²	166	125.5 Å²	125.5	87%	0.869	82%	0.816	S	S	*	*			trans	-63.9	134.2	171.8	-70.6	134.1	0	0	0	112.7
244	F	47.3	Very low	47.2	Very low	198 Å²	198	123.7 Å²	123.7	87%	0.868	82%	0.819	S	S	*	*				-166.8	145.3	117	-141.2	-103.4	0	0	0	112
245	T	47.1	Very low	47.1	Very low	116 Å²	116	123.8 Å²	123.8	71%	0.712	82%	0.819	S	S	*	*			trans	-88.1	155.2	-160.4	41.5	0	0	0	0	115.4
246	G	45.9	Very low	47.2	Very low	86 Å²	86	128 Å²	128	89%	0.887	82%	0.823	S	S	*	*			trans	170.2	87.2	161.1	0	0	0	0	0	113.9
247	A	45	Very low	47.3	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	82%	0.824	S	S	*	*			trans	-101.5	159.7	178	0	0	0	0	0	112.3
248	L	45.4	Very low	47.4	Very low	159 Å²	159	120.5 Å²	120.5	83%	0.832	82%	0.819	S	S	*	*			trans	137	137.1	159.2	-80.8	150.4	0	0	0	109.1
249	Q	42.7	Very low	46.9	Very low	176 Å²	176	123.8 Å²	123.8	82%	0.822	83%	0.829	S	S	*	*			cis	-166.5	155.9	-6.6	-171.5	170.5	-1.6	0	0	106.5
250	A	40.4	Very low	46.4	Very low	82 Å²	82	123.4 Å²	123.4	68%	0.678	82%	0.824	S	S	*	*			trans	-84.9	177	-172.1	0	0	0	0	0	115.9
251	S	47	Very low	45.6	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	83%	0.83	S	S	*	*			trans	85.5	141.2	152.6	84.9	0	0	0	0	115.3
252	V	50.1	Low	45	Very low	134 Å²	134	128 Å²	128	81%	0.812	82%	0.821	S	S	*	*			cis	-153.8	143.6	18	-80.5	0	0	0	0	106.6
253	G	39.7	Very low	44.8	Very low	84 Å²	84	128.4 Å²	128.4	87%	0.866	82%	0.817	S	S	*	*				79.3	119.7	96.8	0	0	0	0	0	114.4
254	G	41	Very low	44.2	Very low	79 Å²	79	123.9 Å²	123.9	81%	0.814	81%	0.81	S	S	*	*			trans	158.3	83.7	163.8	0	0	0	0	0	118.7
255	S	45	Very low	44.1	Very low	126 Å²	126	124.8 Å²	124.8	88%	0.881	81%	0.809	S	S	*	*			trans	54.5	136.2	138	-140.3	0	0	0	0	123.7
256	L	43.7	Very low	43.7	Very low	160 Å²	160	123.3 Å²	123.3	84%	0.838	82%	0.817	S	S	*	*			trans	-62.1	145.4	175.2	-62.2	151.5	0	0	0	113.2
257	S	46.4	Very low	43.9	Very low	122 Å²	122	125.2 Å²	125.2	85%	0.853	81%	0.811	S	S	*	*			trans	-161.6	112.4	146.7	-70.1	0	0	0	0	109.9
258	S	47.2	Very low	43.9	Very low	113 Å²	113	125.5 Å²	125.5	79%	0.79	81%	0.813	S	S	*	*			trans	-69.3	129.5	167.2	50.3	0	0	0	0	111.2
259	L	47.4	Very low	43.9	Very low	174 Å²	174	126.8 Å²	126.8	91%	0.911	82%	0.815	S	S	*	*			trans	-149.1	151.4	153.7	-82.1	-176.2	0	0	0	111.2
260	P	44.7	Very low	44.1	Very low	112 Å²	112	126.8 Å²	126.8	73%	0.727	82%	0.815	S	S	*	*			trans	-96.4	161	-156.5	37.6	-34.2	0	0	0	114.9
261	Y	41	Very low	44.6	Very low	242 Å²	242	128 Å²	128	95%	0.949	82%	0.816	S	S	*	*			trans	-6.9	120.2	150.5	-145	-100.3	0	0	0	117.6
262	G	40.3	Very low	44.6	Very low	69 Å²	69	130.1 Å²	130.1	71%	0.711	81%	0.813	S	S	*	*			trans	138.3	138.6	156.3	0	0	0	0	0	115.4
263	A	43.6	Very low	44.4	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	81%	0.809	S	S	*	*			trans	82.5	96.6	167.1	0	0	0	0	0	118.5
264	G	36.9	Very low	44.7	Very low	71 Å²	71	131.6 Å²	131.6	73%	0.732	80%	0.803	S	S	*	*				80.1	92.1	114.9	0	0	0	0	0	118.2
265	Y	46.2	Very low	44.8	Very low	217 Å²	217	134.8 Å²	134.8	85%	0.851	80%	0.799	S	S	*	*			trans	-130.9	108.1	151.6	-47.3	-74.5	0	0	0	108.3	V267	Y265-V267 PolarHBondContact O-N 3.05Å
266	G	37.8	Very low	45	Very low	84 Å²	84	134.6 Å²	134.6	87%	0.866	79%	0.785	S	S	*	*			trans	-63	125.5	166.5	0	0	0	0	0	109.1
267	V	51.4	Low	45.5	Very low	127 Å²	127	129.9 Å²	129.9	77%	0.77	76%	0.761	S	S	*	*			trans	-113.8	115.1	163.9	-178.5	0	0	0	0	105.6	Y265 E269	Y265-V267 PolarHBondContact O-N 3.05Å; V267-E269 PolarHBondContact O-N 2.57Å; V267-E269 VanDerWaalsContact O-N 3.07Å
268	A	44.1	Very low	45.6	Very low	98 Å²	98	130.2 Å²	130.2	81%	0.81	74%	0.744	S	S	*	*			trans	-56.1	109	176.3	0	0	0	0	0	109.8	H270	A268-H270 PolarHBondContact O-N 3.16Å
269	E	46.3	Very low	45.7	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	74%	0.741	S	S	*	*			trans	-78	113.8	170.7	-74.8	-141.8	145.6	0	0	109.8	V267	V267-E269 PolarHBondContact O-N 2.57Å; V267-E269 VanDerWaalsContact O-N 3.07Å
270	H	46.4	Very low	46	Very low	176 Å²	176	126 Å²	126	82%	0.815	71%	0.708	S	S	*	*			trans	-60.4	124.1	167.2	-101.4	-67.5	0	0	0	110.5	A268 H272	A268-H270 PolarHBondContact O-N 3.16Å; H270-H272 PolarHBondContact O-N 3.33Å
271	P	50.4	Low	46.3	Very low	108 Å²	108	122.1 Å²	122.1	70%	0.701	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	20	-172.1	30.5	-34.8	0	0	0	115.3
272	H	46.9	Very low	46.9	Very low	156 Å²	156	113.1 Å²	113.1	72%	0.722	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-3.4	-168.2	-129.6	-98.5	0	0	0	116.1	H270	H270-H272 PolarHBondContact O-N 3.33Å
273	H	45.2	Very low	47.6	Very low	158 Å²	158	112.5 Å²	112.5	73%	0.731	65%	0.645	S	S	*	*	S	Bend	trans	-99.9	-17.6	-178.5	-158.4	-104.4	0	0	0	114.2
274	A	46.9	Very low	47.9	Very low	91 Å²	91	110.7 Å²	110.7	75%	0.752	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-79.3	-17.5	-176.7	0	0	0	0	0	114.6
275	M	43.5	Very low	48.6	Very low	147 Å²	147	109.1 Å²	109.1	72%	0.724	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-79.7	-18.4	-175.3	-80.5	-173.9	156.1	0	0	114.5	N277	M275-N277 VanDerWaalsContact C-N 3.3Å; M275-N277 PolarHBondContact O-N 3.25Å
276	M	49.1	Very low	48.9	Very low	121 Å²	121	106 Å²	106	60%	0.596	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-78.9	-5.5	-171.3	-67.5	-155	175.5	0	0	115.3
277	N	53.7	Low	49.6	Very low	62 Å²	62	107.4 Å²	107.4	33%	0.332	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-98.5	-13.9	-177.8	-155.3	12.4	0	0	0	114.3	F99 M275	F99-N277 WeakPolarHBondContact CZ-OD1 3.33Å; M275-N277 VanDerWaalsContact C-N 3.3Å; M275-N277 PolarHBondContact O-N 3.25Å
278	R	49.7	Very low	49.5	Very low	128 Å²	128	109.2 Å²	109.2	48%	0.483	58%	0.578	S	S	.	*	H	α-helix	trans	-80.6	-39.7	-175.2	-157.2	179.5	-167.7	166.2	9.8	113.2	P303	R278-P303 PolarHBondContact NH2-O 3.48Å
279	Q	49.1	Very low	49.8	Very low	157 Å²	157	108.6 Å²	108.6	73%	0.734	56%	0.555	S	S	*	*	H	α-helix	trans	-74.2	-29.7	-177.4	-65.8	173.8	-7.1	0	0	112.6	L281 A282 A283	Q279-L281 PolarHBondContact O-N 3.48Å; Q279-A282 PolarHBondContact O-N 3.32Å; Q279-A283 PolarHBondContact O-N 3.09Å
280	N	52.2	Low	50	Low	41 Å²	41	101.9 Å²	101.9	22%	0.219	53%	0.525	C	S	.	.	H	α-helix	trans	-71.7	-28	-178	-98.1	-63	0	0	0	113.6
281	L	52.7	Low	49.8	Very low	31 Å²	31	99.8 Å²	99.8	16%	0.162	51%	0.513	C	S	.	.	H	α-helix	trans	-70.1	-44.4	176.2	-148.6	98.6	0	0	0	110.9	F99 Q279 A283 Y284 L285 M290 Y304	F99-L281 HydrophobicContact CE1-CD1 4.1Å; Q279-L281 PolarHBondContact O-N 3.48Å; L281-A283 VanDerWaalsContact C-N 3.3Å; L281-A283 PolarHBondContact O-N 2.93Å; L281-Y284 PolarHBondContact O-N 3.23Å; L281-L285 HydrophobicContact CD2-CD1 3.75Å; L281-L285 HydrophobicContact CG-CD1 3.85Å; L281-M290 HydrophobicContact CB-CE 4.44Å; L281-M290 HydrophobicContact CD2-CE 4.04Å; L281-M290 HydrophobicContact CG-CE 4.41Å; L281-M290 VanDerWaalsContact O-CE 3.31Å; L281-M290 WeakPolarHBondContact O-CE 3.4Å; L281-Y304 HydrophobicContact CB-CE1 3.89Å; L281-Y304 WeakPolarHBondContact CB-OH 3.16Å; L281-Y304 HydrophobicContact CD2-CD1 4.45Å; L281-Y304 HydrophobicContact CD2-CE1 3.66Å; L281-Y304 HydrophobicContact CD2-CE2 4.04Å; L281-Y304 VanDerWaalsContact CD2-CZ 3.42Å; L281-Y304 WeakPolarHBondContact CD2-OH 3.27Å; L281-Y304 HydrophobicContact CG-CE1 4.38Å
282	A	53.2	Low	49.5	Very low	53 Å²	53	99.2 Å²	99.2	44%	0.438	50%	0.503	S	S	.	.	H	α-helix	trans	-56.9	-42.1	178.2	0	0	0	0	0	112.5	Q279 Y284 M290	Q279-A282 PolarHBondContact O-N 3.32Å; A282-Y284 PolarHBondContact O-N 3.32Å; A282-M290 HydrophobicContact CB-CE 4.33Å; A282-M290 HydrophobicContact CB-SD 4.39Å
283	A	54.7	Low	49.2	Very low	56 Å²	56	99.7 Å²	99.7	46%	0.463	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.6	-174.3	0	0	0	0	0	114.8	R66 Q279 L281	R66-A283 PolarHBondContact NH1-O 3.44Å; R66-A283 PolarHBondContact NH2-O 3.13Å; R66-A283 VanDerWaalsContact NH2-O 3.12Å; Q279-A283 PolarHBondContact O-N 3.09Å; L281-A283 VanDerWaalsContact C-N 3.3Å; L281-A283 PolarHBondContact O-N 2.93Å
284	Y	50	Low	49	Very low	56 Å²	56	95.1 Å²	95.1	22%	0.22	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-11.2	-174.2	-113.6	-61.6	0	0	0	116.3	R62 G63 R66 L281 A282	R62-Y284 HydrophobicContact CB-CD1 4.15Å; R62-Y284 HydrophobicContact CB-CE1 4.06Å; R62-Y284 HydrophobicContact CB-CE2 4.48Å; R62-Y284 HydrophobicContact CB-CG 4.43Å; R62-Y284 HydrophobicContact CG-CD1 3.65Å; R62-Y284 HydrophobicContact CG-CE1 3.27Å; R62-Y284 HydrophobicContact CG-CE2 4.43Å; R62-Y284 HydrophobicContact CG-CG 4.4Å; R62-Y284 VanDerWaalsContact CZ-CD1 3.4Å; R62-Y284 VanDerWaalsContact NE-CD1 3.33Å; R62-Y284 PolarHBondContact NH1-O 3.4Å; R62-Y284 WeakPolarHBondContact O-CE2 3.31Å; R62-Y284 PolarHBondContact O-OH 3.06Å; R62-Y284 VanDerWaalsContact O-OH 3.13Å; G63-Y284 VanDerWaalsContact CA-CD2 3.41Å; R66-Y284 HydrophobicContact CB-CE2 3.74Å; R66-Y284 WeakPolarHBondContact CB-OH 3.23Å; R66-Y284 HydrophobicContact CG-CE2 4.4Å; R66-Y284 VanDerWaalsContact NE-CE2 3.31Å; L281-Y284 PolarHBondContact O-N 3.23Å; A282-Y284 PolarHBondContact O-N 3.32Å
285	L	52.1	Low	48.7	Very low	38 Å²	38	95.7 Å²	95.7	20%	0.199	48%	0.48	C	S	.	.	S	Bend	trans	-91.8	130.7	171.5	-74.2	148.6	0	0	0	107.9	L281 Y289 M290	L281-L285 HydrophobicContact CD2-CD1 3.75Å; L281-L285 HydrophobicContact CG-CD1 3.85Å; L285-Y289 HydrophobicContact CD2-CG 4.49Å; L285-M290 HydrophobicContact CB-CE 3.93Å; L285-M290 HydrophobicContact CB-CG 4.06Å; L285-M290 HydrophobicContact CD1-CE 3.37Å; L285-M290 HydrophobicContact CG-CE 4.24Å
286	K	52.5	Low	49.3	Very low	150 Å²	150	95.3 Å²	95.3	65%	0.652	49%	0.488	S	S	*	.			trans	-49.3	141.3	167.2	-78.4	176.8	174.8	176.8	0	107.4	E288 Y289	K286-E288 PolarHBondContact O-N 3.31Å; K286-Y289 HydrophobicContact CB-CD2 4.04Å; K286-Y289 WeakPolarHBondContact O-CB 3.14Å; K286-Y289 PolarHBondContact O-N 3.49Å
287	P	51.7	Low	49.6	Very low	114 Å²	114	94.4 Å²	94.4	74%	0.74	50%	0.5	S	S	*	.	H	α-helix	trans	-49.2	-34.2	-179.6	-28.4	33.8	0	0	0	113.4	Y289 M290 F291	P287-Y289 PolarHBondContact O-N 2.85Å; P287-Y289 VanDerWaalsContact O-N 3.12Å; P287-M290 PolarHBondContact O-N 3.01Å; P287-M290 VanDerWaalsContact O-N 3.13Å; P287-F291 PolarHBondContact O-N 3.2Å
288	E	49.9	Very low	49.8	Very low	165 Å²	165	94 Å²	94	77%	0.771	50%	0.502	S	S	*	.	H	α-helix	trans	-59	-19.8	173.9	-72.8	-159.2	142	0	0	115.7	K286	K286-E288 PolarHBondContact O-N 3.31Å
289	Y	49.7	Very low	50	Low	85 Å²	85	92 Å²	92	33%	0.333	52%	0.522	S	S	.	.	H	α-helix	trans	-100.5	-9.3	179.2	-77.6	-94.5	0	0	0	113.5	R105 L285 K286 P287	R105-Y289 VanDerWaalsContact NH2-CD1 3.35Å; L285-Y289 HydrophobicContact CD2-CG 4.49Å; K286-Y289 HydrophobicContact CB-CD2 4.04Å; K286-Y289 WeakPolarHBondContact O-CB 3.14Å; K286-Y289 PolarHBondContact O-N 3.49Å; P287-Y289 PolarHBondContact O-N 2.85Å; P287-Y289 VanDerWaalsContact O-N 3.12Å
290	M	49.7	Very low	50.3	Low	46 Å²	46	90 Å²	90	23%	0.227	52%	0.52	C	S	.	.	H	α-helix	trans	-87.4	-19.8	172.3	-77.6	-98.5	147.7	0	0	111.9	L281 A282 L285 P287 I292 N302 Y304	L281-M290 HydrophobicContact CB-CE 4.44Å; L281-M290 HydrophobicContact CD2-CE 4.04Å; L281-M290 HydrophobicContact CG-CE 4.41Å; L281-M290 VanDerWaalsContact O-CE 3.31Å; L281-M290 WeakPolarHBondContact O-CE 3.4Å; A282-M290 HydrophobicContact CB-CE 4.33Å; A282-M290 HydrophobicContact CB-SD 4.39Å; L285-M290 HydrophobicContact CB-CE 3.93Å; L285-M290 HydrophobicContact CB-CG 4.06Å; L285-M290 HydrophobicContact CD1-CE 3.37Å; L285-M290 HydrophobicContact CG-CE 4.24Å; P287-M290 PolarHBondContact O-N 3.01Å; P287-M290 VanDerWaalsContact O-N 3.13Å; M290-I292 PolarHBondContact O-N 2.93Å; M290-I292 VanDerWaalsContact O-N 3.12Å; M290-N302 PolarHBondContact O-ND2 2.93Å; M290-Y304 HydrophobicContact CE-CD1 4.44Å
291	F	43.4	Very low	50.7	Low	132 Å²	132	92 Å²	92	58%	0.579	53%	0.534	S	S	*	.			trans	-81.6	87.4	171.8	-142.8	-100.5	0	0	0	108.8	P287 K293	P287-F291 PolarHBondContact O-N 3.2Å; F291-K293 HydrophobicContact CD1-CB 4.39Å; F291-K293 HydrophobicContact CD1-CG 3.91Å; F291-K293 HydrophobicContact CE1-CG 4.27Å; F291-K293 PolarHBondContact O-N 2.77Å
292	I	43.2	Very low	50.6	Low	96 Å²	96	91.3 Å²	91.3	49%	0.492	53%	0.53	S	S	.	.			trans	-53.6	104.5	142	-60.2	-175	0	0	0	103.2	M290 S294 N302	M290-I292 PolarHBondContact O-N 2.93Å; M290-I292 VanDerWaalsContact O-N 3.12Å; I292-S294 PolarHBondContact O-N 3.19Å; I292-S294 PolarHBondContact O-OG 3.46Å; I292-N302 HydrophobicContact CB-CB 4.32Å; I292-N302 HydrophobicContact CD1-CB 4Å; I292-N302 VanDerWaalsContact CD1-CG 3.44Å; I292-N302 HydrophobicContact CG1-CB 4.46Å; I292-N302 WeakPolarHBondContact CG1-ND2 3.04Å
293	K	41.8	Very low	50.9	Low	166 Å²	166	93.1 Å²	93.1	72%	0.722	54%	0.537	S	S	*	.			trans	-50.3	105.3	164.2	-85.9	-177.3	176.1	-179.9	0	103.9	F291 D295	F291-K293 HydrophobicContact CD1-CB 4.39Å; F291-K293 HydrophobicContact CD1-CG 3.91Å; F291-K293 HydrophobicContact CE1-CG 4.27Å; F291-K293 PolarHBondContact O-N 2.77Å; K293-D295 PolarHBondContact O-N 3.38Å
294	S	39.4	Very low	50.7	Low	63 Å²	63	94.4 Å²	94.4	44%	0.441	53%	0.531	S	S	.	.			trans	-66.9	99.4	171.8	-53.2	0	0	0	0	101.9	I292 P296	I292-S294 PolarHBondContact O-N 3.19Å; I292-S294 PolarHBondContact O-OG 3.46Å; S294-P296 VanDerWaalsContact O-CD 3.24Å; S294-P296 WeakPolarHBondContact O-CD 2.81Å; S294-P296 VanDerWaalsContact O-N 3.08Å
295	D	41.7	Very low	50.8	Low	102 Å²	102	95.4 Å²	95.4	55%	0.545	54%	0.539	S	S	.	.			trans	-55.8	117.9	168.3	-78.9	-36.9	0	0	0	104.6	K293 A297 S298	K293-D295 PolarHBondContact O-N 3.38Å; D295-A297 PolarHBondContact O-N 3.41Å; D295-S298 PolarHBondContact O-N 3.26Å; D295-S298 PolarHBondContact O-OG 2.89Å
296	P	55.9	Low	50.5	Low	139 Å²	139	99 Å²	99	90%	0.903	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-9.1	-177.8	23.8	-32.6	0	0	0	112.2	S294	S294-P296 VanDerWaalsContact O-CD 3.24Å; S294-P296 WeakPolarHBondContact O-CD 2.81Å; S294-P296 VanDerWaalsContact O-N 3.08Å
297	A	56.2	Low	50.3	Low	103 Å²	103	93.1 Å²	93.1	85%	0.851	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15	175.5	0	0	0	0	0	114.7	D295	D295-A297 PolarHBondContact O-N 3.41Å
298	S	56.2	Low	50.2	Low	54 Å²	54	91.3 Å²	91.3	38%	0.378	53%	0.529	S	S	.	.	S	Bend	trans	-109.7	106.4	177	68.7	0	0	0	0	108.9	D295 V300	D295-S298 PolarHBondContact O-N 3.26Å; D295-S298 PolarHBondContact O-OG 2.89Å; S298-V300 PolarHBondContact O-N 3.22Å
299	G	54	Low	50.2	Low	86 Å²	86	86.5 Å²	86.5	89%	0.887	52%	0.517	S	S	*	.			trans	-64.9	30	179.6	0	0	0	0	0	115.7
300	V	56.8	Low	50.3	Low	114 Å²	114	85.6 Å²	85.6	69%	0.691	53%	0.527	S	S	*	.			trans	-101.1	96.1	-177.8	-171.6	0	0	0	0	108.7	S298	S298-V300 PolarHBondContact O-N 3.22Å
301	T	59.8	Low	50.5	Low	84 Å²	84	87.1 Å²	87.1	52%	0.515	55%	0.548	S	S	.	.			trans	-70.7	133.1	177.3	51.8	0	0	0	0	111.2	P303 Q306	T301-P303 WeakPolarHBondContact O-CD 3.39Å; T301-Q306 VanDerWaalsContact CB-NE2 3.33Å; T301-Q306 PolarHBondContact OG1-NE2 3.22Å; T301-Q306 VanDerWaalsContact OG1-NE2 3.1Å
302	N	50.1	Low	51.1	Low	16 Å²	16	85.8 Å²	85.8	9%	0.086	55%	0.554	C	S	.	*			trans	-62.3	117.8	177.3	-177	-4.1	0	0	0	111.3	M290 I292 Y304 I305	M290-N302 PolarHBondContact O-ND2 2.93Å; I292-N302 HydrophobicContact CB-CB 4.32Å; I292-N302 HydrophobicContact CD1-CB 4Å; I292-N302 VanDerWaalsContact CD1-CG 3.44Å; I292-N302 HydrophobicContact CG1-CB 4.46Å; I292-N302 WeakPolarHBondContact CG1-ND2 3.04Å; N302-Y304 PolarHBondContact O-N 3.15Å; N302-Y304 VanDerWaalsContact OD1-CB 3.31Å; N302-Y304 WeakPolarHBondContact OD1-CB 3.25Å; N302-Y304 PolarHBondContact OD1-N 3.4Å; N302-I305 HydrophobicContact CB-CB 4.43Å; N302-I305 HydrophobicContact CB-CD1 4.42Å; N302-I305 HydrophobicContact CB-CG1 4.23Å; N302-I305 PolarHBondContact O-N 2.8Å
303	P	60.7	Low	51.8	Low	91 Å²	91	85.3 Å²	85.3	59%	0.591	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-8.9	179.6	27.9	-35.4	0	0	0	113.5	R278 T301	R278-P303 PolarHBondContact NH2-O 3.48Å; T301-P303 WeakPolarHBondContact O-CD 3.39Å
304	Y	48.9	Very low	52.6	Low	82 Å²	82	81.9 Å²	81.9	32%	0.322	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	-20.7	173.2	-107.2	-91	0	0	0	114.4	L281 M290 N302	L281-Y304 HydrophobicContact CB-CE1 3.89Å; L281-Y304 WeakPolarHBondContact CB-OH 3.16Å; L281-Y304 HydrophobicContact CD2-CD1 4.45Å; L281-Y304 HydrophobicContact CD2-CE1 3.66Å; L281-Y304 HydrophobicContact CD2-CE2 4.04Å; L281-Y304 VanDerWaalsContact CD2-CZ 3.42Å; L281-Y304 WeakPolarHBondContact CD2-OH 3.27Å; L281-Y304 HydrophobicContact CG-CE1 4.38Å; M290-Y304 HydrophobicContact CE-CD1 4.44Å; N302-Y304 PolarHBondContact O-N 3.15Å; N302-Y304 VanDerWaalsContact OD1-CB 3.31Å; N302-Y304 WeakPolarHBondContact OD1-CB 3.25Å; N302-Y304 PolarHBondContact OD1-N 3.4Å
305	I	53.9	Low	53.5	Low	77 Å²	77	84.3 Å²	84.3	40%	0.395	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.9	-35.1	-177.6	-65.2	-172.9	0	0	0	112.1	N302 A307 A308	N302-I305 HydrophobicContact CB-CB 4.43Å; N302-I305 HydrophobicContact CB-CD1 4.42Å; N302-I305 HydrophobicContact CB-CG1 4.23Å; N302-I305 PolarHBondContact O-N 2.8Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.44Å; I305-A308 PolarHBondContact O-N 3.47Å
306	Q	45.8	Very low	54.6	Low	114 Å²	114	84.8 Å²	84.8	53%	0.533	59%	0.588	S	S	.	*	H	α-helix	trans	-64.9	-29.8	-175.9	-90.9	171.8	-7.2	0	0	114.8	T301 A310	T301-Q306 VanDerWaalsContact CB-NE2 3.33Å; T301-Q306 PolarHBondContact OG1-NE2 3.22Å; T301-Q306 VanDerWaalsContact OG1-NE2 3.1Å; Q306-A310 WeakPolarHBondContact O-CB 3.23Å; Q306-A310 PolarHBondContact O-N 3.3Å
307	A	48.4	Very low	54.3	Low	27 Å²	27	83.2 Å²	83.2	22%	0.223	59%	0.586	C	S	.	*	H	α-helix	trans	-88	-17.1	-178.2	0	0	0	0	0	115.1	I305	I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.44Å
308	A	47.9	Very low	54.5	Low	76 Å²	76	84.5 Å²	84.5	63%	0.628	58%	0.583	S	S	*	*	H	α-helix	trans	-74.6	-36.1	172.2	0	0	0	0	0	110.6	I305	I305-A308 PolarHBondContact O-N 3.47Å
309	A	49.9	Very low	54.4	Low	63 Å²	63	93.1 Å²	93.1	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-74.8	-32.5	176.3	0	0	0	0	0	113.2	A311 S312	A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 3.41Å; A309-S312 PolarHBondContact O-OG 3.37Å
310	A	52.4	Low	54.5	Low	66 Å²	66	93.5 Å²	93.5	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-72	-25.2	179.5	0	0	0	0	0	113.6	Q306	Q306-A310 WeakPolarHBondContact O-CB 3.23Å; Q306-A310 PolarHBondContact O-N 3.3Å
311	A	55.1	Low	54.3	Low	79 Å²	79	92.4 Å²	92.4	65%	0.653	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-16.5	-178.3	0	0	0	0	0	114.1	A309	A309-A311 VanDerWaalsContact C-N 3.34Å; A309-A311 PolarHBondContact O-N 3.41Å
312	S	54.8	Low	54	Low	103 Å²	103	92.9 Å²	92.9	72%	0.72	61%	0.61	S	S	*	*	S	Bend	trans	-98.3	-2.9	178	57.3	0	0	0	0	114.1	A309	A309-S312 PolarHBondContact O-OG 3.37Å
313	A	57.9	Low	54.3	Low	86 Å²	86	97.4 Å²	97.4	71%	0.711	64%	0.641	S	S	*	*	S	Bend	trans	-105	3.4	-174.7	0	0	0	0	0	114.2
314	S	58.1	Low	53.9	Low	95 Å²	95	97.8 Å²	97.8	66%	0.664	64%	0.644	S	S	*	*			trans	-117.5	59.4	179.9	69.9	0	0	0	0	112
315	S	59.5	Low	54.2	Low	114 Å²	114	98.9 Å²	98.9	80%	0.797	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-100.6	118.4	156.4	-101	0	0	0	0	107.8	A317	S315-A317 PolarHBondContact O-N 3.42Å
316	P	64.8	Low	54.2	Low	112 Å²	112	100.4 Å²	100.4	73%	0.727	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68	128.7	179.7	27.2	-32.4	0	0	0	110.3	V318	P316-V318 PolarHBondContact O-N 3.41Å
317	A	49.5	Very low	54.9	Low	105 Å²	105	99.4 Å²	99.4	87%	0.868	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.4	119.3	158.2	0	0	0	0	0	108.2	S315	S315-A317 PolarHBondContact O-N 3.42Å
318	V	61	Low	55.4	Low	131 Å²	131	105.4 Å²	105.4	79%	0.794	74%	0.736	S	S	*	*			trans	-108.4	130.9	164	177.9	0	0	0	0	106.7	P316	P316-V318 PolarHBondContact O-N 3.41Å
319	I	54	Low	56.1	Low	235 Å²	235	108.1 Å²	108.1	100%	1.205	75%	0.746	S	S	*	*			trans	-46.7	0	-176.7	-63.1	163.1	0	0	0	113.1

Retrieved 319 of 319 residues in 95.3 ms (Link to these results)

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