A0A087Y7I3_POEFO Loading...

Ral guanine nucleotide dissociation stimulator

AlphaFold DB , UniProt , Accession A0A087Y7I3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 772 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.1	Very low	26.6	Very low	249 Å²	249	142 Å²	142	100%	1.227	82%	0.817	S	S	*	*				0	153.1	0	-78.6	169.2	166.1	0	0	108.7
2	V	22.1	Very low	26.6	Very low	125 Å²	125	137 Å²	137	76%	0.758	82%	0.819	S	S	*	*			trans	-87.9	146.8	168.9	175.9	0	0	0	0	108.1
3	F	22.5	Very low	26.5	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.864	82%	0.819	S	S	*	*				171.1	125.4	125.2	-105.2	-91.6	0	0	0	112.1
4	S	21.8	Very low	26.5	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	81%	0.811	S	S	*	*			trans	-91.4	-156.5	155.4	-46.1	0	0	0	0	107
5	P	45.7	Very low	26.6	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	81%	0.813	S	S	*	*			cis	-134.5	-172.6	-10.4	42.7	-25.1	0	0	0	114.4
6	G	24.6	Very low	26.9	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	82%	0.815	S	S	*	*			trans	126.7	153.3	156.8	0	0	0	0	0	115.7
7	M	27.2	Very low	26.8	Very low	164 Å²	164	133.9 Å²	133.9	81%	0.808	81%	0.813	S	S	*	*				-178.3	117.7	-52.5	-98.6	-99.9	99.5	0	0	108.3
8	L	25.7	Very low	26.8	Very low	132 Å²	132	136.9 Å²	136.9	69%	0.691	82%	0.817	S	S	*	*			trans	54	138	149.1	-69	167.5	0	0	0	123.5
9	T	26.9	Very low	26.7	Very low	120 Å²	120	138 Å²	138	74%	0.736	82%	0.817	S	S	*	*			trans	68.3	149.1	141.9	52.4	0	0	0	0	119.8
10	E	25.4	Very low	26.6	Very low	177 Å²	177	138.1 Å²	138.1	83%	0.827	81%	0.813	S	S	*	*			cis	-154.4	170.7	-3.8	-136.5	177	-163.2	0	0	113.1
11	A	25.2	Very low	26.6	Very low	99 Å²	99	139.5 Å²	139.5	82%	0.818	81%	0.811	S	S	*	*			trans	49	126.8	149.2	0	0	0	0	0	122.3
12	G	26.5	Very low	26.4	Very low	82 Å²	82	135 Å²	135	85%	0.845	79%	0.789	S	S	*	*			trans	173.5	128.4	163.1	0	0	0	0	0	112.2
13	S	24.7	Very low	26.6	Very low	117 Å²	117	138 Å²	138	82%	0.818	79%	0.793	S	S	*	*			trans	-145.9	168.3	-176.6	-173.2	0	0	0	0	112
14	V	27.1	Very low	26.7	Very low	116 Å²	116	135.4 Å²	135.4	70%	0.703	79%	0.788	S	S	*	*			trans	93.7	104.5	163.6	-170.7	0	0	0	0	118.3
15	K	27.2	Very low	27	Very low	194 Å²	194	135.9 Å²	135.9	84%	0.843	79%	0.791	S	S	*	*			trans	107.6	141	142	-84.1	168.3	-172.4	177.7	0	120.9
16	P	31.8	Very low	26.1	Very low	129 Å²	129	135.1 Å²	135.1	84%	0.838	79%	0.789	S	S	*	*			trans	-107	165.2	-174.5	42.1	-34.8	0	0	0	114.1
17	G	26.1	Very low	26.1	Very low	77 Å²	77	144 Å²	144	79%	0.794	80%	0.801	S	S	*	*			trans	175.4	86.7	172.1	0	0	0	0	0	113.7
18	Q	26.8	Very low	26	Very low	188 Å²	188	145.8 Å²	145.8	88%	0.879	80%	0.804	S	S	*	*			trans	-21.4	132.6	176.2	-64.2	164.5	-47.5	0	0	118.6
19	L	24.3	Very low	26.1	Very low	157 Å²	157	146.1 Å²	146.1	82%	0.822	81%	0.812	S	S	*	*				-170.1	166.9	109.9	-102.1	168.3	0	0	0	113.5
20	L	24.9	Very low	26	Very low	139 Å²	139	151.3 Å²	151.3	73%	0.728	82%	0.818	S	S	*	*			trans	-22	150.6	166.6	-96.8	56.4	0	0	0	117.9
21	E	25.2	Very low	26	Very low	168 Å²	168	146.8 Å²	146.8	79%	0.785	81%	0.806	S	S	*	*			cis	-165.5	-165.1	-1	-147.6	173	-146.6	0	0	111.2
22	M	23.4	Very low	26.2	Very low	155 Å²	155	149.4 Å²	149.4	76%	0.764	80%	0.804	S	S	*	*			trans	95.1	148.5	164.3	-54.6	-174.6	69.5	0	0	118.8
23	F	25.8	Very low	26.5	Very low	189 Å²	189	155.3 Å²	155.3	83%	0.829	80%	0.801	S	S	*	*			trans	74	67	-179	-65.6	-74.1	0	0	0	118.6
24	D	25.4	Very low	26.8	Very low	142 Å²	142	157.7 Å²	157.7	76%	0.759	81%	0.805	S	S	*	*			trans	-9.9	129.4	133.4	-173	17.6	0	0	0	117.2
25	S	27.4	Very low	27.1	Very low	114 Å²	114	155.5 Å²	155.5	80%	0.797	81%	0.805	S	S	*	*			trans	-162.3	112.6	159.7	-80.8	0	0	0	0	109.3	W27	S25-W27 PolarHBondContact O-N 2.79Å; S25-W27 VanDerWaalsContact O-N 3.1Å
26	S	26.8	Very low	27.1	Very low	110 Å²	110	151.6 Å²	151.6	77%	0.769	80%	0.797	S	S	*	*			trans	-88.2	78.8	-157.7	48.2	0	0	0	0	115.6
27	W	24.7	Very low	26.8	Very low	254 Å²	254	153.6 Å²	153.6	96%	0.962	79%	0.793	S	S	*	*			trans	-101.9	83.3	162.1	-69.2	-17.5	0	0	0	111.9	S25	S25-W27 PolarHBondContact O-N 2.79Å; S25-W27 VanDerWaalsContact O-N 3.1Å
28	K	25.5	Very low	26.9	Very low	202 Å²	202	157.2 Å²	157.2	88%	0.878	79%	0.793	S	S	*	*			trans	-99.1	87.3	170.2	-84.5	-174.1	169.9	176.4	0	111.9	R30	K28-R30 PolarHBondContact O-N 3.22Å
29	V	26.5	Very low	26.9	Very low	140 Å²	140	154.8 Å²	154.8	85%	0.848	78%	0.782	S	S	*	*			trans	-61.6	119.7	150.5	176.7	0	0	0	0	106.9	S31	V29-S31 PolarHBondContact O-N 2.78Å
30	R	24.6	Very low	27.3	Very low	229 Å²	229	153.4 Å²	153.4	86%	0.864	78%	0.78	S	S	*	*			trans	-76.2	106.5	170.6	-76.8	-172.4	175.2	-168.7	-1.7	108.6	K28	K28-R30 PolarHBondContact O-N 3.22Å
31	S	26.1	Very low	27.5	Very low	82 Å²	82	152.8 Å²	152.8	57%	0.573	78%	0.781	S	S	*	*			trans	-60.9	145.2	162.1	-173.4	0	0	0	0	109.4	V29 W33	V29-S31 PolarHBondContact O-N 2.78Å; S31-W33 PolarHBondContact OG-N 3.45Å
32	I	29.7	Very low	28.3	Very low	153 Å²	153	153.7 Å²	153.7	79%	0.785	79%	0.785	S	S	*	*	S	Bend	trans	-116.5	38	175.1	-40.7	-178.2	0	0	0	108.9
33	W	31.7	Very low	28.7	Very low	207 Å²	207	153.1 Å²	153.1	78%	0.784	79%	0.786	S	S	*	*			trans	-131.6	24.8	-173.8	-64.4	113.7	0	0	0	114.4	S31 G35	S31-W33 PolarHBondContact OG-N 3.45Å; W33-G35 VanDerWaalsContact C-N 3.32Å; W33-G35 PolarHBondContact O-N 3.16Å
34	D	31.5	Very low	29.4	Very low	167 Å²	167	155.4 Å²	155.4	89%	0.893	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	78.4	159.5	-74.4	-47	0	0	0	108.7
35	G	33	Very low	29.7	Very low	69 Å²	69	153.5 Å²	153.5	71%	0.711	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167	-6.1	-172.1	0	0	0	0	0	118.7	W33	W33-G35 VanDerWaalsContact C-N 3.32Å; W33-G35 PolarHBondContact O-N 3.16Å
36	V	27.5	Very low	29.9	Very low	112 Å²	112	153.7 Å²	153.7	68%	0.679	79%	0.785	S	S	*	*			trans	-137	110.9	176.1	-174.6	0	0	0	0	110.8	L38	V36-L38 HydrophobicContact CG1-CD1 4.43Å; V36-L38 HydrophobicContact CG1-CG 4.12Å
37	K	26.2	Very low	30.1	Very low	171 Å²	171	155.2 Å²	155.2	74%	0.743	79%	0.789	S	S	*	*			trans	-101.7	107	167.2	-168.5	-167.2	-171.4	-166.7	0	108.7	E39	K37-E39 HydrophobicContact CD-CG 4.34Å; K37-E39 WeakPolarHBondContact CE-OE1 3.49Å; K37-E39 IonicContact NZ-OE1 2.87Å; K37-E39 PolarHBondContact NZ-OE1 3.36Å
38	L	27.6	Very low	30.3	Very low	154 Å²	154	148 Å²	148	81%	0.806	77%	0.773	S	S	*	*			trans	-88.4	106.5	172.1	-83.9	160.4	0	0	0	109.6	V36	V36-L38 HydrophobicContact CG1-CD1 4.43Å; V36-L38 HydrophobicContact CG1-CG 4.12Å
39	E	28	Very low	30.4	Very low	136 Å²	136	144.6 Å²	144.6	64%	0.636	76%	0.764	S	S	*	*			trans	-93.3	119.1	164.4	-71.3	-175.5	171.3	0	0	109.1	K37	K37-E39 HydrophobicContact CD-CG 4.34Å; K37-E39 WeakPolarHBondContact CE-OE1 3.49Å; K37-E39 IonicContact NZ-OE1 2.87Å; K37-E39 PolarHBondContact NZ-OE1 3.36Å
40	V	31.2	Very low	30.4	Very low	129 Å²	129	146.2 Å²	146.2	78%	0.782	76%	0.762	S	S	*	*			trans	-94.1	112.4	173	179.4	0	0	0	0	107.6
41	V	29.2	Very low	30.4	Very low	125 Å²	125	140 Å²	140	76%	0.758	75%	0.754	S	S	*	*			trans	-96.5	125.2	171.4	178.9	0	0	0	0	108.7	D43	V41-D43 PolarHBondContact O-N 3.35Å; V41-D43 VanDerWaalsContact O-N 3.13Å
42	E	41.6	Very low	30.5	Very low	187 Å²	187	143.4 Å²	143.4	87%	0.874	76%	0.758	S	S	*	*			trans	-82.2	77.3	-178.8	-63.3	-174.6	125.1	0	0	112.5
43	D	31.9	Very low	30.3	Very low	143 Å²	143	142 Å²	142	77%	0.765	76%	0.757	S	S	*	*	S	Bend	trans	-159.6	169.4	143.1	-136	-30.1	0	0	0	114.9	V41 S45	V41-D43 PolarHBondContact O-N 3.35Å; V41-D43 VanDerWaalsContact O-N 3.13Å; D43-S45 PolarHBondContact O-N 3.37Å
44	R	42.3	Very low	30	Very low	238 Å²	238	137.8 Å²	137.8	90%	0.898	75%	0.746	S	S	*	*			trans	-81.7	100.2	-164.3	-63.8	174.7	172.1	-169.4	-2	114.6
45	S	31.4	Very low	29.8	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	74%	0.742	S	S	*	*			trans	-153.6	155.4	154.5	59.8	0	0	0	0	111.3	D43	D43-S45 PolarHBondContact O-N 3.37Å
46	P	30.9	Very low	29.6	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-73.2	127.7	-178.7	28.8	-34	0	0	0	111.8	V48	P46-V48 PolarHBondContact O-N 2.87Å
47	V	31.8	Very low	29.9	Very low	141 Å²	141	138.4 Å²	138.4	86%	0.855	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-72.3	120.3	179.1	179.3	0	0	0	0	110.6
48	V	29.1	Very low	30.1	Very low	102 Å²	102	136.7 Å²	136.7	62%	0.618	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-90.5	118.5	171.8	179.4	0	0	0	0	109.6	P46 H50	P46-V48 PolarHBondContact O-N 2.87Å; V48-H50 PolarHBondContact O-N 2.85Å
49	L	26.8	Very low	30.2	Very low	131 Å²	131	137.2 Å²	137.2	69%	0.686	74%	0.736	S	S	*	*			trans	-79.9	99	178.8	-170.6	75.2	0	0	0	110.3	S51 F52	L49-S51 WeakPolarHBondContact CG-O 3.44Å; L49-F52 HydrophobicContact CD2-CB 4.21Å; L49-F52 HydrophobicContact CD2-CD2 4.36Å
50	H	25.3	Very low	30.3	Very low	174 Å²	174	135.3 Å²	135.3	81%	0.806	74%	0.735	S	S	*	*			trans	-79.9	-11.2	-174.4	-86.3	-72.5	0	0	0	115.9	V48	V48-H50 PolarHBondContact O-N 2.85Å
51	S	26.3	Very low	30.2	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	74%	0.736	S	S	*	*			trans	-159	158.1	167	61.2	0	0	0	0	111.5	L49	L49-S51 WeakPolarHBondContact CG-O 3.44Å
52	F	26.9	Very low	30.3	Very low	153 Å²	153	137.8 Å²	137.8	67%	0.671	74%	0.744	S	S	*	*			trans	-141.6	131.5	175.1	-179.5	-104.4	0	0	0	109.6	L49 H54	L49-F52 HydrophobicContact CD2-CB 4.21Å; L49-F52 HydrophobicContact CD2-CD2 4.36Å; F52-H54 HydrophobicContact CE1-CB 3.97Å; F52-H54 AromaticContact CE1-CD2 3.7Å; F52-H54 AromaticContact CZ-CD2 3.8Å
53	T	25.2	Very low	29.9	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	74%	0.74	S	S	*	*			trans	-118.2	112.9	174.3	36.7	0	0	0	0	109.2	L55	T53-L55 PolarHBondContact O-N 3.37Å; T53-L55 VanDerWaalsContact O-N 3.09Å
54	H	27.2	Very low	30.1	Very low	117 Å²	117	134.1 Å²	134.1	54%	0.542	73%	0.732	S	S	.	*			trans	-75.4	99.1	178.1	-156.8	-126.1	0	0	0	110	F52 D56	F52-H54 HydrophobicContact CE1-CB 3.97Å; F52-H54 AromaticContact CE1-CD2 3.7Å; F52-H54 AromaticContact CZ-CD2 3.8Å; H54-D56 VanDerWaalsContact C-N 3.34Å; H54-D56 IonicContact CE1-OD1 2.61Å; H54-D56 PolarHBondContact CE1-OD1 3.08Å; H54-D56 VanDerWaalsContact CE1-OD1 3.31Å; H54-D56 IonicContact CE1-OD2 3.56Å; H54-D56 PolarHBondContact CE1-OD2 3.48Å; H54-D56 IonicContact ND1-OD1 2.72Å; H54-D56 IonicContact ND1-OD2 3.61Å; H54-D56 PolarHBondContact ND1-OD2 2.89Å; H54-D56 PolarHBondContact O-N 3.38Å
55	L	26.5	Very low	30.4	Very low	157 Å²	157	126.9 Å²	126.9	82%	0.822	72%	0.718	S	S	*	*			trans	-81.3	90.2	159.9	-77.6	172.1	0	0	0	107.4	T53 P57	T53-L55 PolarHBondContact O-N 3.37Å; T53-L55 VanDerWaalsContact O-N 3.09Å; L55-P57 VanDerWaalsContact O-CD 3.27Å; L55-P57 WeakPolarHBondContact O-CD 3.36Å
56	D	29.5	Very low	31.6	Very low	94 Å²	94	124.2 Å²	124.2	50%	0.503	70%	0.697	S	S	.	*			trans	-69.3	117.8	-168.2	-147.2	-35.5	0	0	0	112.6	H54 D58	H54-D56 VanDerWaalsContact C-N 3.34Å; H54-D56 IonicContact CE1-OD1 2.61Å; H54-D56 PolarHBondContact CE1-OD1 3.08Å; H54-D56 VanDerWaalsContact CE1-OD1 3.31Å; H54-D56 IonicContact CE1-OD2 3.56Å; H54-D56 PolarHBondContact CE1-OD2 3.48Å; H54-D56 IonicContact ND1-OD1 2.72Å; H54-D56 IonicContact ND1-OD2 3.61Å; H54-D56 PolarHBondContact ND1-OD2 2.89Å; H54-D56 PolarHBondContact O-N 3.38Å; D56-D58 PolarHBondContact OD1-N 2.77Å
57	P	33.5	Very low	33.1	Very low	111 Å²	111	125 Å²	125	72%	0.721	69%	0.691	S	S	*	*			trans	-83	-19.4	172.1	-7.5	27.2	0	0	0	112.4	L55 L59	L55-P57 VanDerWaalsContact O-CD 3.27Å; L55-P57 WeakPolarHBondContact O-CD 3.36Å; P57-L59 VanDerWaalsContact C-N 3.34Å; P57-L59 PolarHBondContact O-N 3.32Å; P57-L59 VanDerWaalsContact O-N 3.08Å
58	D	30.4	Very low	35.1	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	67%	0.674	S	S	*	*			trans	-86	77.8	-178.5	-73.3	-34.5	0	0	0	109.5	D56 P60	D56-D58 PolarHBondContact OD1-N 2.77Å; D58-P60 WeakPolarHBondContact O-CD 3.41Å
59	L	28.3	Very low	37.3	Very low	164 Å²	164	123.2 Å²	123.2	86%	0.859	67%	0.669	S	S	*	*			trans	-71.4	106.3	156.1	-105.1	168.5	0	0	0	107.8	P57	P57-L59 VanDerWaalsContact C-N 3.34Å; P57-L59 PolarHBondContact O-N 3.32Å; P57-L59 VanDerWaalsContact O-N 3.08Å
60	P	30	Very low	39.7	Very low	96 Å²	96	118.3 Å²	118.3	62%	0.623	65%	0.649	S	S	*	*			trans	-64.4	162.9	170.6	31.3	-37.1	0	0	0	109.8	D58	D58-P60 WeakPolarHBondContact O-CD 3.41Å
61	L	30.2	Very low	42.5	Very low	154 Å²	154	114.9 Å²	114.9	81%	0.806	63%	0.634	S	S	*	*			trans	-52.6	158	156.4	-96.2	67.3	0	0	0	109.2	E63	L61-E63 PolarHBondContact O-N 3.45Å
62	V	31.5	Very low	45.3	Very low	152 Å²	152	112.6 Å²	112.6	92%	0.921	61%	0.612	S	S	*	*			trans	-73.1	70.3	178.4	-171.3	0	0	0	0	110.5
63	E	32.4	Very low	48	Very low	168 Å²	168	109.4 Å²	109.4	79%	0.785	61%	0.614	S	S	*	*			trans	-64.5	146.9	155.1	-64.3	-167.9	139.5	0	0	108.4	L61	L61-E63 PolarHBondContact O-N 3.45Å
64	S	35.8	Very low	50.9	Low	86 Å²	86	107 Å²	107	60%	0.601	59%	0.594	S	S	*	*			trans	-64	141.6	-163.2	75.6	0	0	0	0	112.5	T66	S64-T66 WeakPolarHBondContact CB-OG1 3.44Å; S64-T66 PolarHBondContact O-N 3.23Å; S64-T66 PolarHBondContact OG-OG1 3.2Å
65	S	49.3	Very low	53.2	Low	85 Å²	85	110.8 Å²	110.8	59%	0.594	61%	0.612	S	S	*	*	S	Bend	trans	-73.7	38.3	173.3	55.3	0	0	0	0	113.4	R84 K85	S65-R84 WeakPolarHBondContact O-CA 3.48Å; S65-K85 PolarHBondContact O-N 2.8Å
66	T	56.3	Low	56.1	Low	45 Å²	45	106 Å²	106	28%	0.276	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.1	118.7	-176.6	-5.2	0	0	0	0	109.2	S64 T82 L83 R84	S64-T66 WeakPolarHBondContact CB-OG1 3.44Å; S64-T66 PolarHBondContact O-N 3.23Å; S64-T66 PolarHBondContact OG-OG1 3.2Å; T66-T82 HydrophobicContact CG2-CG2 4.07Å; T66-L83 VanDerWaalsContact CA-O 3.3Å; T66-L83 WeakPolarHBondContact CA-O 3.21Å; T66-R84 HydrophobicContact CG2-CG 3.56Å
67	Q	63.2	Low	58.9	Low	137 Å²	137	101.5 Å²	101.5	64%	0.64	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114	124.5	170.4	-174	177.1	8.5	0	0	109.5	T82 L83	Q67-T82 CarbonylContact O-C 3.59Å; Q67-T82 VanDerWaalsContact O-CA 3.27Å; Q67-T82 WeakPolarHBondContact O-CA 3.49Å; Q67-L83 PolarHBondContact N-O 3.23Å; Q67-L83 PolarHBondContact O-N 3.18Å
68	E	72.8	Confident	61.6	Low	107 Å²	107	98 Å²	98	50%	0.5	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.2	172.2	-174.8	161.8	-160.7	0	0	110.3	T80 I81 T82	E68-T80 HydrophobicContact CG-CG2 3.9Å; E68-T80 WeakPolarHBondContact OE1-CG2 3.49Å; E68-T80 PolarHBondContact OE1-OG1 3.46Å; E68-I81 WeakPolarHBondContact CA-O 3.46Å; E68-T82 HydrophobicContact CB-CG2 4.45Å
69	I	75.4	Confident	64.4	Low	98 Å²	98	92.3 Å²	92.3	50%	0.503	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-26.3	179.1	-26.1	179	0	0	0	111.8	I81 L83	I69-I81 HydrophobicContact CB-CB 4.38Å; I69-I81 HydrophobicContact CB-CG2 4.29Å; I69-I81 HydrophobicContact CD1-CB 4.42Å; I69-I81 HydrophobicContact CD1-CG2 3.46Å; I69-I81 VanDerWaalsContact CD1-CG2 3.46Å; I69-I81 HydrophobicContact CG1-CB 4.27Å; I69-I81 HydrophobicContact CG1-CG2 3.76Å; I69-I81 PolarHBondContact N-O 3.19Å; I69-L83 HydrophobicContact CD1-CD1 4.11Å; I69-L83 HydrophobicContact CD1-CD2 3.48Å; I69-L83 VanDerWaalsContact CD1-CD2 3.48Å; I69-L83 HydrophobicContact CD1-CG 3.47Å; I69-L83 VanDerWaalsContact CD1-CG 3.47Å; I69-L83 HydrophobicContact CG1-CD1 4.41Å; I69-L83 HydrophobicContact CG1-CD2 4.37Å; I69-L83 HydrophobicContact CG1-CG 3.83Å
70	G	77.2	Confident	67.2	Low	27 Å²	27	85.2 Å²	85.2	28%	0.278	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-175.9	-175.2	0	0	0	0	0	112.6	I81	G70-I81 WeakPolarHBondContact O-CB 3.19Å; G70-I81 WeakPolarHBondContact O-CG1 3.37Å; G70-I81 PolarHBondContact O-N 3.4Å
71	E	83.7	Confident	69.8	Low	103 Å²	103	81.6 Å²	81.6	48%	0.481	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.8	-175.2	-62.4	-177.5	-144.4	0	0	111.5	F79 K119	E71-F79 CarbonylContact C-O 3.49Å; E71-F79 VanDerWaalsContact CA-O 3.31Å; E71-F79 WeakPolarHBondContact CA-O 3.41Å; E71-K119 IonicContact OE1-NZ 3.72Å; E71-K119 PolarHBondContact OE1-NZ 3.1Å; E71-K119 WeakPolarHBondContact OE2-CD 3.32Å; E71-K119 IonicContact OE2-NZ 2.66Å; E71-K119 PolarHBondContact OE2-NZ 2.98Å
72	E	85.1	Confident	72.2	Confident	51 Å²	51	75 Å²	75	24%	0.238	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115	171.3	-79	167	-166.3	0	0	108.6	F79 I81 K114 R116	E72-F79 HydrophobicContact CB-CB 4.37Å; E72-F79 PolarHBondContact N-O 2.93Å; E72-F79 PolarHBondContact O-N 3.08Å; E72-I81 HydrophobicContact CG-CD1 3.95Å; E72-I81 HydrophobicContact CG-CG1 4.21Å; E72-I81 WeakPolarHBondContact OE1-CD1 3.43Å; E72-K114 IonicContact OE1-NZ 2.76Å; E72-K114 PolarHBondContact OE1-NZ 3.48Å; E72-R116 IonicContact OE2-CZ 3.61Å; E72-R116 IonicContact OE2-NE 2.71Å; E72-R116 PolarHBondContact OE2-NE 3.37Å; E72-R116 IonicContact OE2-NH2 3.5Å; E72-R116 PolarHBondContact OE2-NH2 2.79Å
73	A	84.1	Confident	74.3	Confident	86 Å²	86	70.1 Å²	70.1	71%	0.711	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.9	173	0	0	0	0	0	110.9
74	E	85.9	Confident	76.1	Confident	75 Å²	75	67.6 Å²	67.6	35%	0.35	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	161.5	166.5	-63.7	177.2	-175.2	0	0	108.6	D76 A77 F79 R116	E74-D76 PolarHBondContact O-N 2.97Å; E74-D76 VanDerWaalsContact O-N 3.08Å; E74-A77 WeakPolarHBondContact CA-O 3.47Å; E74-A77 PolarHBondContact N-O 3.31Å; E74-A77 PolarHBondContact O-N 3.37Å; E74-A77 VanDerWaalsContact O-O 3.04Å; E74-F79 HydrophobicContact CG-CE2 4.37Å; E74-R116 IonicContact OE1-CZ 2.76Å; E74-R116 IonicContact OE1-NH1 3.81Å; E74-R116 PolarHBondContact OE1-NH1 2.84Å; E74-R116 IonicContact OE1-NH2 3.43Å; E74-R116 PolarHBondContact OE1-NH2 2.82Å; E74-R116 IonicContact OE2-NH1 2.84Å
75	E	76.2	Confident	77.5	Confident	195 Å²	195	69.1 Å²	69.1	91%	0.911	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.3	-174.8	-64.2	-177.2	125.5	0	0	113.8
76	D	86.5	Confident	77.8	Confident	57 Å²	57	69.3 Å²	69.3	31%	0.305	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-5.7	-178.2	-59	-57	0	0	0	114.5	E74 G121 T122 R125	E74-D76 PolarHBondContact O-N 2.97Å; E74-D76 VanDerWaalsContact O-N 3.08Å; D76-G121 CarbonylContact O-C 3.6Å; D76-G121 WeakPolarHBondContact O-CA 3.43Å; D76-T122 HydrophobicContact CB-CG2 4.18Å; D76-T122 PolarHBondContact O-N 3.19Å; D76-R125 HydrophobicContact CB-CG 3.33Å; D76-R125 IonicContact OD2-CZ 2.72Å; D76-R125 IonicContact OD2-NE 2.71Å; D76-R125 PolarHBondContact OD2-NE 3.1Å; D76-R125 IonicContact OD2-NH2 3.71Å; D76-R125 PolarHBondContact OD2-NH2 3.42Å
77	A	89.8	Confident	77.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	144.3	-166.8	0	0	0	0	0	114	E74 F79 I118 A120 R125	E74-A77 WeakPolarHBondContact CA-O 3.47Å; E74-A77 PolarHBondContact N-O 3.31Å; E74-A77 PolarHBondContact O-N 3.37Å; E74-A77 VanDerWaalsContact O-O 3.04Å; A77-F79 HydrophobicContact CB-CD2 4.36Å; A77-F79 HydrophobicContact CB-CE2 3.58Å; A77-F79 HydrophobicContact CB-CZ 3.95Å; A77-I118 HydrophobicContact CB-CD1 4.08Å; A77-A120 CarbonylContact C-O 3.48Å; A77-A120 WeakPolarHBondContact CA-O 3.24Å; A77-R125 HydrophobicContact CB-CB 4.27Å; A77-R125 HydrophobicContact CB-CG 4.35Å
78	I	89.6	Confident	76.7	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.195	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.5	173.3	-57.5	171.3	0	0	0	108.5	K119 A120 L489	I78-K119 HydrophobicContact CG2-CB 4.39Å; I78-K119 HydrophobicContact CG2-CD 4.27Å; I78-K119 WeakPolarHBondContact O-CA 3.42Å; I78-K119 WeakPolarHBondContact O-CB 3.42Å; I78-K119 PolarHBondContact O-N 3.04Å; I78-A120 HydrophobicContact CB-CB 4.38Å; I78-A120 HydrophobicContact CD1-CB 4.49Å; I78-A120 PolarHBondContact N-O 2.92Å; I78-A120 PolarHBondContact O-N 3.2Å; I78-A120 VanDerWaalsContact O-N 3.15Å; I78-L489 HydrophobicContact CD1-CD1 4.16Å; I78-L489 HydrophobicContact CG1-CD1 3.97Å
79	F	88.6	Confident	75.3	Confident	14 Å²	14	73.2 Å²	73.2	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.5	178.8	-62.2	-89	0	0	0	111.2	E71 E72 E74 A77 R116 T117 I118 Y129	E71-F79 CarbonylContact C-O 3.49Å; E71-F79 VanDerWaalsContact CA-O 3.31Å; E71-F79 WeakPolarHBondContact CA-O 3.41Å; E72-F79 HydrophobicContact CB-CB 4.37Å; E72-F79 PolarHBondContact N-O 2.93Å; E72-F79 PolarHBondContact O-N 3.08Å; E74-F79 HydrophobicContact CG-CE2 4.37Å; A77-F79 HydrophobicContact CB-CD2 4.36Å; A77-F79 HydrophobicContact CB-CE2 3.58Å; A77-F79 HydrophobicContact CB-CZ 3.95Å; F79-R116 HydrophobicContact CB-CG 3.75Å; F79-R116 HydrophobicContact CD1-CG 3.79Å; F79-R116 VanDerWaalsContact CD2-CZ 3.46Å; F79-R116 HydrophobicContact CG-CG 3.92Å; F79-T117 CarbonylContact C-O 3.59Å; F79-T117 VanDerWaalsContact CA-O 3.29Å; F79-T117 WeakPolarHBondContact CA-O 3.27Å; F79-I118 HydrophobicContact CD1-CB 3.88Å; F79-I118 HydrophobicContact CD1-CG1 4.16Å; F79-I118 HydrophobicContact CE1-CB 3.78Å; F79-I118 HydrophobicContact CE1-CD1 3.9Å; F79-I118 HydrophobicContact CE1-CG1 3.91Å; F79-I118 HydrophobicContact CZ-CD1 4.02Å; F79-I118 HydrophobicContact CZ-CG1 4.38Å; F79-Y129 HydrophobicContact CD1-CE2 4.32Å; F79-Y129 AromaticContact CE1-CD2 3.71Å; F79-Y129 HydrophobicContact CE1-CD2 3.71Å; F79-Y129 AromaticContact CE1-CE2 3.78Å; F79-Y129 HydrophobicContact CE1-CE2 3.78Å
80	T	86.9	Confident	73.7	Confident	16 Å²	16	75.6 Å²	75.6	10%	0.098	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.1	165	-77.8	0	0	0	0	109.2	E68 T82 T117	E68-T80 HydrophobicContact CG-CG2 3.9Å; E68-T80 WeakPolarHBondContact OE1-CG2 3.49Å; E68-T80 PolarHBondContact OE1-OG1 3.46Å; T80-T82 HydrophobicContact CG2-CG2 3.94Å; T80-T117 PolarHBondContact N-O 3.34Å; T80-T117 PolarHBondContact O-N 3.36Å; T80-T117 PolarHBondContact O-OG1 2.9Å
81	I	84.3	Confident	71.7	Confident	19 Å²	19	79.9 Å²	79.9	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.3	170.3	-49.6	165.7	0	0	0	109.2	E68 I69 G70 E72 K114	E68-I81 WeakPolarHBondContact CA-O 3.46Å; I69-I81 HydrophobicContact CB-CB 4.38Å; I69-I81 HydrophobicContact CB-CG2 4.29Å; I69-I81 HydrophobicContact CD1-CB 4.42Å; I69-I81 HydrophobicContact CD1-CG2 3.46Å; I69-I81 VanDerWaalsContact CD1-CG2 3.46Å; I69-I81 HydrophobicContact CG1-CB 4.27Å; I69-I81 HydrophobicContact CG1-CG2 3.76Å; I69-I81 PolarHBondContact N-O 3.19Å; G70-I81 WeakPolarHBondContact O-CB 3.19Å; G70-I81 WeakPolarHBondContact O-CG1 3.37Å; G70-I81 PolarHBondContact O-N 3.4Å; E72-I81 HydrophobicContact CG-CD1 3.95Å; E72-I81 HydrophobicContact CG-CG1 4.21Å; E72-I81 WeakPolarHBondContact OE1-CD1 3.43Å; I81-K114 HydrophobicContact CG2-CD 4Å; I81-K114 HydrophobicContact CG2-CG 3.5Å
82	T	81.9	Confident	69.5	Low	16 Å²	16	79.4 Å²	79.4	10%	0.098	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142	167	59.9	0	0	0	0	111.9	T66 Q67 E68 T80 V115	T66-T82 HydrophobicContact CG2-CG2 4.07Å; Q67-T82 CarbonylContact O-C 3.59Å; Q67-T82 VanDerWaalsContact O-CA 3.27Å; Q67-T82 WeakPolarHBondContact O-CA 3.49Å; E68-T82 HydrophobicContact CB-CG2 4.45Å; T80-T82 HydrophobicContact CG2-CG2 3.94Å; T82-V115 PolarHBondContact N-O 3.26Å; T82-V115 PolarHBondContact O-N 3.27Å
83	L	75.6	Confident	67.1	Low	49 Å²	49	81.7 Å²	81.7	26%	0.257	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.5	163	-66.7	-179.7	0	0	0	108.7	T66 Q67 I69 T112 C113	T66-L83 VanDerWaalsContact CA-O 3.3Å; T66-L83 WeakPolarHBondContact CA-O 3.21Å; Q67-L83 PolarHBondContact N-O 3.23Å; Q67-L83 PolarHBondContact O-N 3.18Å; I69-L83 HydrophobicContact CD1-CD1 4.11Å; I69-L83 HydrophobicContact CD1-CD2 3.48Å; I69-L83 VanDerWaalsContact CD1-CD2 3.48Å; I69-L83 HydrophobicContact CD1-CG 3.47Å; I69-L83 VanDerWaalsContact CD1-CG 3.47Å; I69-L83 HydrophobicContact CG1-CD1 4.41Å; I69-L83 HydrophobicContact CG1-CD2 4.37Å; I69-L83 HydrophobicContact CG1-CG 3.83Å; L83-T112 HydrophobicContact CB-CG2 3.77Å; L83-T112 HydrophobicContact CD1-CG2 3.98Å; L83-T112 HydrophobicContact CD2-CG2 4.08Å; L83-T112 HydrophobicContact CG-CG2 4.14Å; L83-C113 WeakPolarHBondContact CA-O 3.47Å
84	R	70.3	Confident	65	Low	116 Å²	116	87.9 Å²	87.9	44%	0.438	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.5	168.5	-75.3	-169.3	177.8	179.8	-5.2	110.5	S65 T66 M86 C113 V115	S65-R84 WeakPolarHBondContact O-CA 3.48Å; T66-R84 HydrophobicContact CG2-CG 3.56Å; R84-M86 HydrophobicContact CB-CE 4.03Å; R84-M86 HydrophobicContact CB-CG 4.39Å; R84-M86 PolarHBondContact O-N 2.8Å; R84-C113 PolarHBondContact N-O 3.16Å; R84-C113 PolarHBondContact O-N 3.39Å; R84-V115 HydrophobicContact CB-CG2 4.07Å; R84-V115 HydrophobicContact CG-CG2 4.08Å
85	K	64.3	Low	62.8	Low	117 Å²	117	86.8 Å²	86.8	51%	0.509	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	97.4	174.8	-171.5	176.1	-179.6	179.8	0	109.6	S65 Y110	S65-K85 PolarHBondContact O-N 2.8Å; K85-Y110 HydrophobicContact CD-CD1 4.41Å; K85-Y110 HydrophobicContact CD-CG 4.34Å; K85-Y110 VanDerWaalsContact CE-CG 3.48Å; K85-Y110 HydrophobicContact CG-CD1 3.95Å; K85-Y110 HydrophobicContact CG-CG 4.07Å
86	M	56.7	Low	61.1	Low	90 Å²	90	85.6 Å²	85.6	44%	0.443	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.9	-178	-58.8	-163.1	-173.3	0	0	111.2	R84 Y110 E111 C113 V115	R84-M86 HydrophobicContact CB-CE 4.03Å; R84-M86 HydrophobicContact CB-CG 4.39Å; R84-M86 PolarHBondContact O-N 2.8Å; M86-Y110 CarbonylContact O-C 3.58Å; M86-Y110 VanDerWaalsContact O-CA 3.23Å; M86-Y110 WeakPolarHBondContact O-CA 3.47Å; M86-E111 PolarHBondContact N-O 3.27Å; M86-E111 PolarHBondContact O-N 3.32Å; M86-C113 HydrophobicContact CE-CB 4.18Å; M86-C113 HydrophobicContact SD-CB 4.45Å; M86-V115 HydrophobicContact CE-CG2 4.13Å
87	Q	49.1	Very low	58.9	Low	107 Å²	107	94.3 Å²	94.3	50%	0.5	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.3	179	-165.1	179.9	10.1	0	0	110.4	H89 S108 Y110	Q87-H89 PolarHBondContact O-N 3.1Å; Q87-S108 PolarHBondContact NE2-OG 3.04Å; Q87-Y110 HydrophobicContact CB-CD1 3.88Å; Q87-Y110 HydrophobicContact CB-CE1 3.67Å; Q87-Y110 HydrophobicContact CG-CD1 4.17Å; Q87-Y110 HydrophobicContact CG-CE1 3.75Å
88	L	47.2	Very low	56.5	Low	86 Å²	86	105.8 Å²	105.8	45%	0.45	53%	0.525	S	S	.	.			trans	-72.1	109.9	176.4	-85.4	148.4	0	0	0	110.8	Q90 L109 E111	L88-Q90 PolarHBondContact O-N 3.13Å; L88-L109 HydrophobicContact CB-CB 4.25Å; L88-L109 WeakPolarHBondContact CB-O 3.45Å; L88-L109 HydrophobicContact CD1-CB 4.04Å; L88-L109 PolarHBondContact N-O 3.15Å; L88-E111 HydrophobicContact CD1-CB 4.01Å
89	H	42.9	Very low	54	Low	177 Å²	177	111 Å²	111	82%	0.819	55%	0.553	S	S	*	*			trans	-76.4	100.8	160.5	-116.3	72.8	0	0	0	108.7	Q87 S91	Q87-H89 PolarHBondContact O-N 3.1Å; H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.17Å
90	Q	42.3	Very low	51.7	Low	149 Å²	149	114 Å²	114	70%	0.696	59%	0.587	S	S	*	*			trans	-67.7	112.1	171.7	-68.8	-170.3	7.2	0	0	109.7	L88 A92	L88-Q90 PolarHBondContact O-N 3.13Å; Q90-A92 PolarHBondContact O-N 2.99Å; Q90-A92 VanDerWaalsContact O-N 3.09Å
91	S	34.5	Very low	49.2	Very low	116 Å²	116	118.6 Å²	118.6	81%	0.811	62%	0.615	S	S	*	*			trans	-69	103.7	166.7	44.1	0	0	0	0	108.9	H89 S93	H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.17Å; S91-S93 PolarHBondContact O-N 2.91Å
92	A	37.6	Very low	47	Very low	93 Å²	93	125.4 Å²	125.4	77%	0.769	65%	0.652	S	S	*	*			trans	-57.4	103.9	-173.1	0	0	0	0	0	112.2	Q90 K94	Q90-A92 PolarHBondContact O-N 2.99Å; Q90-A92 VanDerWaalsContact O-N 3.09Å; A92-K94 PolarHBondContact O-N 3.28Å
93	S	34	Very low	44.7	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	68%	0.682	S	S	*	*			trans	-64.6	126.7	177.1	-179.7	0	0	0	0	110.1	S91 G95	S91-S93 PolarHBondContact O-N 2.91Å; S93-G95 PolarHBondContact O-N 3.2Å
94	K	40.9	Very low	42.8	Very low	217 Å²	217	135.3 Å²	135.3	94%	0.943	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	12.3	-174.1	-71.7	-178.4	173.6	177.5	0	115	A92	A92-K94 PolarHBondContact O-N 3.28Å
95	G	40.2	Very low	41.3	Very low	52 Å²	52	133.9 Å²	133.9	54%	0.536	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-33.4	-175.9	0	0	0	0	0	116.6	S93 R97	S93-G95 PolarHBondContact O-N 3.2Å; G95-R97 PolarHBondContact O-N 3.28Å
96	Q	40.4	Very low	40	Very low	169 Å²	169	133.3 Å²	133.3	79%	0.79	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-89.6	7.4	-161.1	-75.5	-172.9	-42.4	0	0	116.9	W98	Q96-W98 PolarHBondContact O-N 3.24Å; Q96-W98 VanDerWaalsContact O-N 3.08Å
97	R	39.6	Very low	39.3	Very low	240 Å²	240	135.6 Å²	135.6	91%	0.906	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-69.2	-6.9	-176.4	-157.2	178.3	179.4	-149.2	-2.5	115	G95	G95-R97 PolarHBondContact O-N 3.28Å
98	W	38.8	Very low	39	Very low	242 Å²	242	133.4 Å²	133.4	92%	0.917	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-91.5	-6.6	-170.2	-78.4	102.7	0	0	0	116.5	Q96	Q96-W98 PolarHBondContact O-N 3.24Å; Q96-W98 VanDerWaalsContact O-N 3.08Å
99	L	38.4	Very low	39	Very low	148 Å²	148	133.7 Å²	133.7	78%	0.775	75%	0.745	S	S	*	*	S	Bend	trans	-98	-4.3	-173.1	-80.3	168.7	0	0	0	116	V101	L99-V101 PolarHBondContact O-N 3.5Å; L99-V101 VanDerWaalsContact O-N 3.1Å
100	G	41	Very low	39.6	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	73%	0.727	S	S	*	*			trans	61.4	23.1	167.9	0	0	0	0	0	116.1
101	V	34	Very low	40.4	Very low	112 Å²	112	128.8 Å²	128.8	68%	0.679	72%	0.718	S	S	*	*			trans	-95.8	114	171.5	-179.5	0	0	0	0	108	L99 T103	L99-V101 PolarHBondContact O-N 3.5Å; L99-V101 VanDerWaalsContact O-N 3.1Å; V101-T103 PolarHBondContact O-N 2.93Å
102	D	36.6	Very low	41.9	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	70%	0.703	S	S	*	*			trans	-71.4	95.3	169.3	-72.1	-53.3	0	0	0	109	D104	D102-D104 VanDerWaalsContact C-N 3.32Å; D102-D104 PolarHBondContact O-N 3.49Å
103	T	34.1	Very low	43.2	Very low	121 Å²	121	124.1 Å²	124.1	74%	0.742	68%	0.676	S	S	*	*			trans	-76.2	84.9	177.9	-49.2	0	0	0	0	110.1	V101	V101-T103 PolarHBondContact O-N 2.93Å
104	D	36.6	Very low	45.2	Very low	152 Å²	152	125.2 Å²	125.2	81%	0.813	67%	0.669	S	S	*	*			trans	-57.5	148.3	168.4	-127.9	-27.6	0	0	0	110.8	D102	D102-D104 VanDerWaalsContact C-N 3.32Å; D102-D104 PolarHBondContact O-N 3.49Å
105	S	38.2	Very low	46.9	Very low	85 Å²	85	116.5 Å²	116.5	59%	0.594	63%	0.633	S	S	*	*			trans	62.5	89.2	-172.1	-55.3	0	0	0	0	115.8	L107	S105-L107 PolarHBondContact O-N 3.21Å
106	A	36.3	Very low	48.9	Very low	105 Å²	105	118.1 Å²	118.1	87%	0.868	62%	0.623	S	S	*	*			trans	-67.7	76.9	157.7	0	0	0	0	0	110.5	S108	A106-S108 PolarHBondContact O-N 2.97Å; A106-S108 VanDerWaalsContact O-N 3.14Å
107	L	42.1	Very low	51	Low	139 Å²	139	111.1 Å²	111.1	73%	0.728	59%	0.592	S	S	*	*			trans	-55.9	118.7	177.2	-68.6	174.8	0	0	0	109.7	S105 L109	S105-L107 PolarHBondContact O-N 3.21Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 PolarHBondContact O-N 3.49Å
108	S	43.9	Very low	53.4	Low	60 Å²	60	99.7 Å²	99.7	42%	0.42	55%	0.549	S	S	.	.			trans	-66.3	91.8	168.2	-75.4	0	0	0	0	108.6	Q87 A106 Y110	Q87-S108 PolarHBondContact NE2-OG 3.04Å; A106-S108 PolarHBondContact O-N 2.97Å; A106-S108 VanDerWaalsContact O-N 3.14Å; S108-Y110 WeakPolarHBondContact O-CD2 3.27Å; S108-Y110 WeakPolarHBondContact O-CE2 3.5Å; S108-Y110 PolarHBondContact O-N 3.36Å; S108-Y110 VanDerWaalsContact O-N 3.15Å
109	L	46.2	Very low	55.8	Low	92 Å²	92	91.1 Å²	91.1	48%	0.482	52%	0.518	S	S	.	.			trans	-63	113.8	172.5	-85.8	153.3	0	0	0	108.3	L88 L107	L88-L109 HydrophobicContact CB-CB 4.25Å; L88-L109 WeakPolarHBondContact CB-O 3.45Å; L88-L109 HydrophobicContact CD1-CB 4.04Å; L88-L109 PolarHBondContact N-O 3.15Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 PolarHBondContact O-N 3.49Å
110	Y	55.9	Low	58.4	Low	113 Å²	113	84.1 Å²	84.1	44%	0.443	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	172.4	-69.2	-85.4	0	0	0	108.7	K85 M86 Q87 S108	K85-Y110 HydrophobicContact CD-CD1 4.41Å; K85-Y110 HydrophobicContact CD-CG 4.34Å; K85-Y110 VanDerWaalsContact CE-CG 3.48Å; K85-Y110 HydrophobicContact CG-CD1 3.95Å; K85-Y110 HydrophobicContact CG-CG 4.07Å; M86-Y110 CarbonylContact O-C 3.58Å; M86-Y110 VanDerWaalsContact O-CA 3.23Å; M86-Y110 WeakPolarHBondContact O-CA 3.47Å; Q87-Y110 HydrophobicContact CB-CD1 3.88Å; Q87-Y110 HydrophobicContact CB-CE1 3.67Å; Q87-Y110 HydrophobicContact CG-CD1 4.17Å; Q87-Y110 HydrophobicContact CG-CE1 3.75Å; S108-Y110 WeakPolarHBondContact O-CD2 3.27Å; S108-Y110 WeakPolarHBondContact O-CE2 3.5Å; S108-Y110 PolarHBondContact O-N 3.36Å; S108-Y110 VanDerWaalsContact O-N 3.15Å
111	E	59.2	Low	60.9	Low	110 Å²	110	80.5 Å²	80.5	51%	0.514	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.8	172.2	-171.4	173.4	177.1	0	0	109.7	M86 L88 C113	M86-E111 PolarHBondContact N-O 3.27Å; M86-E111 PolarHBondContact O-N 3.32Å; L88-E111 HydrophobicContact CD1-CB 4.01Å; E111-C113 PolarHBondContact O-N 3.2Å
112	T	65.3	Low	63.7	Low	81 Å²	81	76.8 Å²	76.8	50%	0.497	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	87	-178.8	-51.4	0	0	0	0	109.4	L83	L83-T112 HydrophobicContact CB-CG2 3.77Å; L83-T112 HydrophobicContact CD1-CG2 3.98Å; L83-T112 HydrophobicContact CD2-CG2 4.08Å; L83-T112 HydrophobicContact CG-CG2 4.14Å
113	C	66	Low	66.4	Low	31 Å²	31	69.9 Å²	69.9	21%	0.209	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131	-173.9	-53.1	0	0	0	0	111.7	L83 R84 M86 E111 V115	L83-C113 WeakPolarHBondContact CA-O 3.47Å; R84-C113 PolarHBondContact N-O 3.16Å; R84-C113 PolarHBondContact O-N 3.39Å; M86-C113 HydrophobicContact CE-CB 4.18Å; M86-C113 HydrophobicContact SD-CB 4.45Å; E111-C113 PolarHBondContact O-N 3.2Å; C113-V115 PolarHBondContact O-N 2.9Å
114	K	75.2	Confident	69.1	Low	122 Å²	122	69.1 Å²	69.1	53%	0.53	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	110.4	167.7	-172.4	-167.8	179.3	-171.4	0	109.4	E72 I81	E72-K114 IonicContact OE1-NZ 2.76Å; E72-K114 PolarHBondContact OE1-NZ 3.48Å; I81-K114 HydrophobicContact CG2-CD 4Å; I81-K114 HydrophobicContact CG2-CG 3.5Å
115	V	76.9	Confident	71.7	Confident	34 Å²	34	65.6 Å²	65.6	21%	0.206	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.2	177.3	-176.4	0	0	0	0	109.5	T82 R84 M86 C113 T117	T82-V115 PolarHBondContact N-O 3.26Å; T82-V115 PolarHBondContact O-N 3.27Å; R84-V115 HydrophobicContact CB-CG2 4.07Å; R84-V115 HydrophobicContact CG-CG2 4.08Å; M86-V115 HydrophobicContact CE-CG2 4.13Å; C113-V115 PolarHBondContact O-N 2.9Å; V115-T117 HydrophobicContact CG1-CG2 4.22Å
116	R	82.4	Confident	74.3	Confident	85 Å²	85	61.5 Å²	61.5	32%	0.321	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.7	-179.7	-169.1	-169.7	-147.4	-144.4	12.4	110.1	E72 E74 F79 Y129	E72-R116 IonicContact OE2-CZ 3.61Å; E72-R116 IonicContact OE2-NE 2.71Å; E72-R116 PolarHBondContact OE2-NE 3.37Å; E72-R116 IonicContact OE2-NH2 3.5Å; E72-R116 PolarHBondContact OE2-NH2 2.79Å; E74-R116 IonicContact OE1-CZ 2.76Å; E74-R116 IonicContact OE1-NH1 3.81Å; E74-R116 PolarHBondContact OE1-NH1 2.84Å; E74-R116 IonicContact OE1-NH2 3.43Å; E74-R116 PolarHBondContact OE1-NH2 2.82Å; E74-R116 IonicContact OE2-NH1 2.84Å; F79-R116 HydrophobicContact CB-CG 3.75Å; F79-R116 HydrophobicContact CD1-CG 3.79Å; F79-R116 VanDerWaalsContact CD2-CZ 3.46Å; F79-R116 HydrophobicContact CG-CG 3.92Å; R116-Y129 PolarHBondContact O-OH 2.98Å
117	T	85.3	Confident	76.9	Confident	23 Å²	23	56.6 Å²	56.6	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.4	-179.3	46.8	0	0	0	0	110.9	F79 T80 V115 Y129	F79-T117 CarbonylContact C-O 3.59Å; F79-T117 VanDerWaalsContact CA-O 3.29Å; F79-T117 WeakPolarHBondContact CA-O 3.27Å; T80-T117 PolarHBondContact N-O 3.34Å; T80-T117 PolarHBondContact O-N 3.36Å; T80-T117 PolarHBondContact O-OG1 2.9Å; V115-T117 HydrophobicContact CG1-CG2 4.22Å; T117-Y129 WeakPolarHBondContact CA-OH 3.29Å
118	I	88.8	Confident	79.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.9	175	-162.5	159.8	0	0	0	110.7	A77 F79 A120 L126 Y129 Y141 F492 R496	A77-I118 HydrophobicContact CB-CD1 4.08Å; F79-I118 HydrophobicContact CD1-CB 3.88Å; F79-I118 HydrophobicContact CD1-CG1 4.16Å; F79-I118 HydrophobicContact CE1-CB 3.78Å; F79-I118 HydrophobicContact CE1-CD1 3.9Å; F79-I118 HydrophobicContact CE1-CG1 3.91Å; F79-I118 HydrophobicContact CZ-CD1 4.02Å; F79-I118 HydrophobicContact CZ-CG1 4.38Å; I118-A120 WeakPolarHBondContact CG1-O 3.43Å; I118-L126 HydrophobicContact CD1-CD2 3.94Å; I118-L126 HydrophobicContact CG1-CD2 4.32Å; I118-L126 HydrophobicContact CG2-CD2 4.29Å; I118-Y129 HydrophobicContact CB-CD1 4.17Å; I118-Y129 HydrophobicContact CB-CD2 4.26Å; I118-Y129 HydrophobicContact CB-CE1 4.21Å; I118-Y129 HydrophobicContact CB-CE2 4.31Å; I118-Y129 HydrophobicContact CB-CG 4.18Å; I118-Y129 HydrophobicContact CD1-CG 4.4Å; I118-Y129 HydrophobicContact CG2-CD1 3.51Å; I118-Y129 HydrophobicContact CG2-CD2 4.48Å; I118-Y129 HydrophobicContact CG2-CE1 3.66Å; I118-Y129 HydrophobicContact CG2-CG 3.94Å; I118-Y141 HydrophobicContact CG2-CD2 4.05Å; I118-Y141 HydrophobicContact CG2-CE2 3.27Å; I118-F492 HydrophobicContact CG2-CD1 4.48Å; I118-R496 PolarHBondContact O-NH1 3.09Å; I118-R496 PolarHBondContact O-NH2 2.83Å
119	K	89.8	Confident	81.1	Confident	61 Å²	61	51.1 Å²	51.1	27%	0.265	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-39.5	-179.1	-174.7	-175.9	178	-173.9	0	110.9	E71 I78 F492 E493	E71-K119 IonicContact OE1-NZ 3.72Å; E71-K119 PolarHBondContact OE1-NZ 3.1Å; E71-K119 WeakPolarHBondContact OE2-CD 3.32Å; E71-K119 IonicContact OE2-NZ 2.66Å; E71-K119 PolarHBondContact OE2-NZ 2.98Å; I78-K119 HydrophobicContact CG2-CB 4.39Å; I78-K119 HydrophobicContact CG2-CD 4.27Å; I78-K119 WeakPolarHBondContact O-CA 3.42Å; I78-K119 WeakPolarHBondContact O-CB 3.42Å; I78-K119 PolarHBondContact O-N 3.04Å; K119-F492 WeakPolarHBondContact O-CA 3.49Å; K119-F492 WeakPolarHBondContact O-CB 3.37Å; K119-F492 PolarHBondContact O-N 3.07Å; K119-E493 HydrophobicContact CG-CB 4.24Å; K119-E493 PolarHBondContact O-N 3.2Å; K119-E493 VanDerWaalsContact O-N 3.12Å
120	A	92.4	Very high	83.1	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.5	171.3	0	0	0	0	0	111.7	A77 I78 I118 T485 L489 I490	A77-A120 CarbonylContact C-O 3.48Å; A77-A120 WeakPolarHBondContact CA-O 3.24Å; I78-A120 HydrophobicContact CB-CB 4.38Å; I78-A120 HydrophobicContact CD1-CB 4.49Å; I78-A120 PolarHBondContact N-O 2.92Å; I78-A120 PolarHBondContact O-N 3.2Å; I78-A120 VanDerWaalsContact O-N 3.15Å; I118-A120 WeakPolarHBondContact CG1-O 3.43Å; A120-T485 HydrophobicContact CB-CG2 3.58Å; A120-L489 HydrophobicContact CB-CB 4.03Å; A120-I490 WeakPolarHBondContact CA-O 3.37Å; A120-I490 VanDerWaalsContact CB-O 3.3Å; A120-I490 WeakPolarHBondContact CB-O 3.32Å
121	G	93.6	Very high	84.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	176.7	170.3	0	0	0	0	0	114.7	D76 I490	D76-G121 CarbonylContact O-C 3.6Å; D76-G121 WeakPolarHBondContact O-CA 3.43Å; G121-I490 PolarHBondContact N-O 3.35Å; G121-I490 VanDerWaalsContact N-O 3.14Å; G121-I490 WeakPolarHBondContact O-CB 2.95Å; G121-I490 PolarHBondContact O-N 2.92Å
122	T	93.5	Very high	85.7	Confident	35 Å²	35	39.2 Å²	39.2	22%	0.215	20%	0.195	C	C	.	.			trans	-68.3	162	167.9	64.1	0	0	0	0	111	D76 E124 R125 L126 L489	D76-T122 HydrophobicContact CB-CG2 4.18Å; D76-T122 PolarHBondContact O-N 3.19Å; T122-E124 PolarHBondContact O-N 3.07Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 VanDerWaalsContact O-N 3.11Å; T122-R125 WeakPolarHBondContact OG1-CG 3.39Å; T122-R125 PolarHBondContact OG1-N 3.41Å; T122-L126 WeakPolarHBondContact O-CG 3.48Å; T122-L126 PolarHBondContact O-N 3.24Å; T122-L489 HydrophobicContact CG2-CD2 3.82Å
123	L	92.8	Very high	86.4	Confident	17 Å²	17	35.7 Å²	35.7	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-38.6	-179.3	-177.6	61.6	0	0	0	111.1	R125 L126 V127 F145 F152 A153 Q157 V158 L161 I490	L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 3.4Å; L123-L126 PolarHBondContact O-N 2.93Å; L123-V127 HydrophobicContact CD1-CG2 4.45Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.49Å; L123-F145 HydrophobicContact CD1-CZ 4.31Å; L123-F152 HydrophobicContact CD1-CD2 4.1Å; L123-F152 HydrophobicContact CD1-CE2 3.79Å; L123-A153 HydrophobicContact CD1-CB 3.61Å; L123-A153 HydrophobicContact CD2-CB 3.66Å; L123-A153 HydrophobicContact CG-CB 4.3Å; L123-Q157 HydrophobicContact CD2-CB 4.07Å; L123-V158 HydrophobicContact CD1-CG2 4.44Å; L123-L161 HydrophobicContact CB-CD1 4.31Å; L123-L161 HydrophobicContact CD2-CD1 3.76Å; L123-L161 HydrophobicContact CG-CD1 3.61Å; L123-I490 HydrophobicContact CB-CD1 4.09Å
124	E	91.1	Very high	87	Confident	105 Å²	105	37.3 Å²	37.3	49%	0.491	18%	0.178	S	C	.	.	H	α-helix	trans	-56.7	-45.9	174.5	-66.2	62.4	-143.7	0	0	111.2	T122 E128 L161	T122-E124 PolarHBondContact O-N 3.07Å; E124-E128 VanDerWaalsContact O-CB 3.3Å; E124-E128 WeakPolarHBondContact O-CB 3.43Å; E124-E128 PolarHBondContact O-N 2.95Å; E124-L161 HydrophobicContact CG-CD2 3.94Å
125	R	90.8	Very high	87.1	Confident	78 Å²	78	35.2 Å²	35.2	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-74.3	-33.5	178.6	-68.1	-51.7	-171.3	142.7	15.9	113.7	D76 A77 T122 L123 E128 Y129	D76-R125 HydrophobicContact CB-CG 3.33Å; D76-R125 IonicContact OD2-CZ 2.72Å; D76-R125 IonicContact OD2-NE 2.71Å; D76-R125 PolarHBondContact OD2-NE 3.1Å; D76-R125 IonicContact OD2-NH2 3.71Å; D76-R125 PolarHBondContact OD2-NH2 3.42Å; A77-R125 HydrophobicContact CB-CB 4.27Å; A77-R125 HydrophobicContact CB-CG 4.35Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 VanDerWaalsContact O-N 3.11Å; T122-R125 WeakPolarHBondContact OG1-CG 3.39Å; T122-R125 PolarHBondContact OG1-N 3.41Å; L123-R125 VanDerWaalsContact C-N 3.35Å; L123-R125 PolarHBondContact O-N 3.4Å; R125-E128 VanDerWaalsContact CD-OE2 3.23Å; R125-E128 WeakPolarHBondContact CD-OE2 3.35Å; R125-E128 IonicContact CZ-OE2 3.29Å; R125-E128 IonicContact NE-OE2 2.73Å; R125-E128 IonicContact NH1-OE2 3.5Å; R125-E128 PolarHBondContact NH1-OE2 2.86Å; R125-E128 PolarHBondContact O-N 3.41Å; R125-Y129 VanDerWaalsContact O-CB 3.29Å; R125-Y129 WeakPolarHBondContact O-CB 3.42Å; R125-Y129 PolarHBondContact O-N 3.45Å
126	L	92.3	Very high	86.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-42.2	173.5	-64.4	174.5	0	0	0	111	I118 T122 L123 Y129 M130 Y141 F145 F152 I490 F492	I118-L126 HydrophobicContact CD1-CD2 3.94Å; I118-L126 HydrophobicContact CG1-CD2 4.32Å; I118-L126 HydrophobicContact CG2-CD2 4.29Å; T122-L126 WeakPolarHBondContact O-CG 3.48Å; T122-L126 PolarHBondContact O-N 3.24Å; L123-L126 PolarHBondContact O-N 2.93Å; L126-Y129 PolarHBondContact O-N 2.86Å; L126-M130 PolarHBondContact O-N 2.97Å; L126-Y141 WeakPolarHBondContact CB-OH 3.13Å; L126-Y141 VanDerWaalsContact CD2-OH 3.25Å; L126-Y141 WeakPolarHBondContact CD2-OH 3.49Å; L126-Y141 PolarHBondContact O-OH 3.45Å; L126-F145 HydrophobicContact CB-CD2 4.19Å; L126-F145 HydrophobicContact CB-CE2 3.72Å; L126-F152 HydrophobicContact CD1-CE2 4.04Å; L126-F152 HydrophobicContact CD1-CZ 4.19Å; L126-I490 HydrophobicContact CD1-CB 3.9Å; L126-I490 HydrophobicContact CD1-CD1 3.9Å; L126-I490 HydrophobicContact CD1-CG2 3.91Å; L126-F492 HydrophobicContact CD1-CD2 4.24Å; L126-F492 HydrophobicContact CD2-CB 4.12Å; L126-F492 HydrophobicContact CD2-CD2 3.76Å; L126-F492 HydrophobicContact CD2-CG 4.11Å
127	V	90.8	Very high	86.2	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-36.3	174.6	173.8	0	0	0	0	111.9	L123 M130 F145 L161 L162	L123-V127 HydrophobicContact CD1-CG2 4.45Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.49Å; V127-M130 PolarHBondContact O-N 3.4Å; V127-F145 HydrophobicContact CG2-CE1 4.43Å; V127-F145 HydrophobicContact CG2-CE2 4.39Å; V127-F145 HydrophobicContact CG2-CZ 3.75Å; V127-L161 HydrophobicContact CB-CB 4.33Å; V127-L161 HydrophobicContact CG1-CB 3.96Å; V127-L161 HydrophobicContact CG2-CB 4.31Å; V127-L161 HydrophobicContact CG2-CD1 4.25Å; V127-L162 HydrophobicContact CG1-CD2 3.72Å; V127-L162 HydrophobicContact CG1-CG 3.78Å
128	E	88.3	Confident	85.7	Confident	53 Å²	53	42.9 Å²	42.9	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-51.9	169.4	161.5	149.3	-96.6	0	0	112.1	E124 R125 M130 V131 S132 R165	E124-E128 VanDerWaalsContact O-CB 3.3Å; E124-E128 WeakPolarHBondContact O-CB 3.43Å; E124-E128 PolarHBondContact O-N 2.95Å; R125-E128 VanDerWaalsContact CD-OE2 3.23Å; R125-E128 WeakPolarHBondContact CD-OE2 3.35Å; R125-E128 IonicContact CZ-OE2 3.29Å; R125-E128 IonicContact NE-OE2 2.73Å; R125-E128 IonicContact NH1-OE2 3.5Å; R125-E128 PolarHBondContact NH1-OE2 2.86Å; R125-E128 PolarHBondContact O-N 3.41Å; E128-M130 VanDerWaalsContact C-N 3.26Å; E128-M130 PolarHBondContact O-N 3.49Å; E128-V131 PolarHBondContact O-N 2.93Å; E128-V131 VanDerWaalsContact O-N 3.14Å; E128-S132 PolarHBondContact O-N 3.42Å; E128-R165 IonicContact OE1-CZ 3.48Å; E128-R165 IonicContact OE1-NH1 3.75Å; E128-R165 PolarHBondContact OE1-NH1 3.46Å; E128-R165 IonicContact OE1-NH2 3.2Å; E128-R165 PolarHBondContact OE1-NH2 3.43Å
129	Y	87.6	Confident	85.3	Confident	31 Å²	31	46.1 Å²	46.1	12%	0.122	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-31.9	-179.3	-171.7	-92.6	0	0	0	111.8	F79 R116 T117 I118 R125 L126 V131 S132 A133 Y141	F79-Y129 HydrophobicContact CD1-CE2 4.32Å; F79-Y129 AromaticContact CE1-CD2 3.71Å; F79-Y129 HydrophobicContact CE1-CD2 3.71Å; F79-Y129 AromaticContact CE1-CE2 3.78Å; F79-Y129 HydrophobicContact CE1-CE2 3.78Å; R116-Y129 PolarHBondContact O-OH 2.98Å; T117-Y129 WeakPolarHBondContact CA-OH 3.29Å; I118-Y129 HydrophobicContact CB-CD1 4.17Å; I118-Y129 HydrophobicContact CB-CD2 4.26Å; I118-Y129 HydrophobicContact CB-CE1 4.21Å; I118-Y129 HydrophobicContact CB-CE2 4.31Å; I118-Y129 HydrophobicContact CB-CG 4.18Å; I118-Y129 HydrophobicContact CD1-CG 4.4Å; I118-Y129 HydrophobicContact CG2-CD1 3.51Å; I118-Y129 HydrophobicContact CG2-CD2 4.48Å; I118-Y129 HydrophobicContact CG2-CE1 3.66Å; I118-Y129 HydrophobicContact CG2-CG 3.94Å; R125-Y129 VanDerWaalsContact O-CB 3.29Å; R125-Y129 WeakPolarHBondContact O-CB 3.42Å; R125-Y129 PolarHBondContact O-N 3.45Å; L126-Y129 PolarHBondContact O-N 2.86Å; Y129-V131 PolarHBondContact O-N 3.4Å; Y129-S132 WeakPolarHBondContact CA-OG 3.44Å; Y129-S132 PolarHBondContact O-N 3.34Å; Y129-S132 PolarHBondContact O-OG 3.13Å; Y129-A133 HydrophobicContact CD1-CB 4.01Å; Y129-A133 HydrophobicContact CE1-CB 3.8Å; Y129-A133 WeakPolarHBondContact O-CB 3.44Å; Y129-A133 PolarHBondContact O-N 2.89Å; Y129-Y141 AromaticContact CD1-CD1 3.86Å; Y129-Y141 HydrophobicContact CD1-CD1 3.86Å; Y129-Y141 AromaticContact CD1-CD2 3.69Å; Y129-Y141 HydrophobicContact CD1-CD2 3.69Å; Y129-Y141 AromaticContact CD1-CE1 3.78Å; Y129-Y141 HydrophobicContact CD1-CE1 3.78Å; Y129-Y141 AromaticContact CD1-CE2 3.6Å; Y129-Y141 HydrophobicContact CD1-CE2 3.6Å; Y129-Y141 AromaticContact CD1-CG 3.82Å; Y129-Y141 HydrophobicContact CD1-CG 3.82Å; Y129-Y141 AromaticContact CD1-CZ 3.66Å; Y129-Y141 HydrophobicContact CE1-CD1 4.29Å; Y129-Y141 AromaticContact CE1-CD2 3.58Å; Y129-Y141 HydrophobicContact CE1-CD2 3.58Å; Y129-Y141 AromaticContact CE1-CE2 3.89Å; Y129-Y141 HydrophobicContact CE1-CE2 3.89Å; Y129-Y141 AromaticContact CE1-CG 3.8Å; Y129-Y141 HydrophobicContact CE1-CG 3.8Å
130	M	88.2	Confident	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-37.4	174.1	-164.2	169.2	53.1	0	0	112.9	L126 V127 E128 F134 Y141 V142 F145 L146 L162 I195	L126-M130 PolarHBondContact O-N 2.97Å; V127-M130 PolarHBondContact O-N 3.4Å; E128-M130 VanDerWaalsContact C-N 3.26Å; E128-M130 PolarHBondContact O-N 3.49Å; M130-F134 PolarHBondContact O-N 3.1Å; M130-Y141 HydrophobicContact CB-CD1 4.16Å; M130-Y141 HydrophobicContact CB-CE1 3.8Å; M130-Y141 HydrophobicContact CG-CD1 4.22Å; M130-Y141 HydrophobicContact CG-CE1 4.2Å; M130-V142 HydrophobicContact CG-CB 4.2Å; M130-V142 HydrophobicContact CG-CG1 4.11Å; M130-V142 HydrophobicContact CG-CG2 3.77Å; M130-V142 HydrophobicContact SD-CG1 4.03Å; M130-F145 HydrophobicContact CE-CD1 4.02Å; M130-F145 HydrophobicContact CE-CE1 4.06Å; M130-F145 HydrophobicContact SD-CB 4.06Å; M130-F145 HydrophobicContact SD-CD1 3.39Å; M130-F145 WeakPolarHBondContact SD-CD1 3.39Å; M130-F145 HydrophobicContact SD-CE1 4.05Å; M130-F145 HydrophobicContact SD-CG 3.83Å; M130-L146 HydrophobicContact SD-CD2 4.47Å; M130-L146 HydrophobicContact SD-CG 4.47Å; M130-L162 HydrophobicContact CE-CD1 3.98Å; M130-L162 HydrophobicContact CE-CD2 3.89Å; M130-L162 HydrophobicContact CE-CG 4.31Å; M130-I195 HydrophobicContact CE-CG2 4.05Å; M130-I195 HydrophobicContact CG-CD1 4.46Å; M130-I195 HydrophobicContact SD-CG2 4.33Å
131	V	84.1	Confident	85	Confident	5 Å²	5	47 Å²	47	3%	0.03	25%	0.25	C	S	.	.	H	α-helix	trans	-78.5	-38.6	-179.8	179.1	0	0	0	0	111.7	E128 Y129 R135 L162 L188 T191 I195	E128-V131 PolarHBondContact O-N 2.93Å; E128-V131 VanDerWaalsContact O-N 3.14Å; Y129-V131 PolarHBondContact O-N 3.4Å; V131-R135 PolarHBondContact O-N 2.97Å; V131-L162 HydrophobicContact CG2-CD2 4.12Å; V131-L188 HydrophobicContact CG1-CD1 3.66Å; V131-T191 HydrophobicContact CG1-CG2 3.98Å; V131-I195 HydrophobicContact CG2-CD1 4.33Å
132	S	83.8	Confident	84.7	Confident	60 Å²	60	47.3 Å²	47.3	42%	0.42	25%	0.252	S	S	.	.	H	α-helix	trans	-75.9	-36.6	177.9	58.8	0	0	0	0	112.8	E128 Y129 F134 R135 G136	E128-S132 PolarHBondContact O-N 3.42Å; Y129-S132 WeakPolarHBondContact CA-OG 3.44Å; Y129-S132 PolarHBondContact O-N 3.34Å; Y129-S132 PolarHBondContact O-OG 3.13Å; S132-F134 VanDerWaalsContact C-N 3.35Å; S132-F134 PolarHBondContact O-N 2.93Å; S132-R135 PolarHBondContact O-N 2.99Å; S132-G136 PolarHBondContact O-N 3.37Å
133	A	80.7	Confident	84.5	Confident	7 Å²	7	47.6 Å²	47.6	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-41.4	174	0	0	0	0	0	111.9	Y129 G136 K137 D138 Y141	Y129-A133 HydrophobicContact CD1-CB 4.01Å; Y129-A133 HydrophobicContact CE1-CB 3.8Å; Y129-A133 WeakPolarHBondContact O-CB 3.44Å; Y129-A133 PolarHBondContact O-N 2.89Å; A133-G136 CarbonylContact O-C 3.07Å; A133-G136 VanDerWaalsContact O-C 3.26Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.42Å; A133-G136 VanDerWaalsContact O-N 3.12Å; A133-K137 PolarHBondContact O-N 3.08Å; A133-K137 VanDerWaalsContact O-N 3.08Å; A133-D138 HydrophobicContact CB-CB 4.37Å; A133-D138 PolarHBondContact O-N 2.68Å; A133-Y141 HydrophobicContact CB-CD1 4.27Å; A133-Y141 HydrophobicContact CB-CG 4.26Å
134	F	79.3	Confident	84.4	Confident	64 Å²	64	47.2 Å²	47.2	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-41.8	176.8	-166	-88.8	0	0	0	112.5	M130 S132 G136 K137 V142 T191 I195	M130-F134 PolarHBondContact O-N 3.1Å; S132-F134 VanDerWaalsContact C-N 3.35Å; S132-F134 PolarHBondContact O-N 2.93Å; F134-G136 VanDerWaalsContact C-N 3.3Å; F134-G136 PolarHBondContact O-N 3.42Å; F134-K137 WeakPolarHBondContact O-CA 3.26Å; F134-K137 PolarHBondContact O-N 3.47Å; F134-V142 HydrophobicContact CB-CG2 4.05Å; F134-V142 HydrophobicContact CD2-CG2 3.84Å; F134-V142 HydrophobicContact CG-CG2 4.43Å; F134-T191 HydrophobicContact CB-CG2 4.05Å; F134-T191 HydrophobicContact CD1-CG2 3.74Å; F134-T191 HydrophobicContact CG-CG2 4.23Å; F134-I195 HydrophobicContact CB-CD1 4.2Å; F134-I195 HydrophobicContact CD2-CG1 4.26Å; F134-I195 HydrophobicContact CG-CD1 4.43Å; F134-I195 HydrophobicContact CG-CG1 4.3Å
135	R	76.9	Confident	84.5	Confident	78 Å²	78	42.2 Å²	42.2	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-40.5	169.3	-74.5	-165	-173.2	-153.2	14.4	111.9	V131 S132 K137 D184 E187	V131-R135 PolarHBondContact O-N 2.97Å; S132-R135 PolarHBondContact O-N 2.99Å; R135-K137 PolarHBondContact O-N 3.09Å; R135-K137 VanDerWaalsContact O-N 3.1Å; R135-D184 IonicContact NH1-OD1 3.22Å; R135-D184 PolarHBondContact NH2-O 2.99Å; R135-E187 VanDerWaalsContact CD-OE2 3.26Å; R135-E187 WeakPolarHBondContact CD-OE2 3.26Å; R135-E187 IonicContact CZ-OE2 3.34Å; R135-E187 IonicContact NE-OE2 3.8Å; R135-E187 PolarHBondContact NE-OE2 3.07Å; R135-E187 IonicContact NH1-OE2 2.69Å; R135-E187 PolarHBondContact NH1-OE2 2.91Å
136	G	68.2	Low	84.4	Confident	62 Å²	62	38.6 Å²	38.6	64%	0.639	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	3.9	171.9	0	0	0	0	0	115.1	S132 A133 F134 D138	S132-G136 PolarHBondContact O-N 3.37Å; A133-G136 CarbonylContact O-C 3.07Å; A133-G136 VanDerWaalsContact O-C 3.26Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.42Å; A133-G136 VanDerWaalsContact O-N 3.12Å; F134-G136 VanDerWaalsContact C-N 3.3Å; F134-G136 PolarHBondContact O-N 3.42Å; G136-D138 PolarHBondContact O-N 3.22Å
137	K	72.9	Confident	84.2	Confident	190 Å²	190	38.7 Å²	38.7	83%	0.826	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	12.6	-178.8	-52.7	179.5	-176.9	175.1	0	115.4	A133 F134 R135 S139	A133-K137 PolarHBondContact O-N 3.08Å; A133-K137 VanDerWaalsContact O-N 3.08Å; F134-K137 WeakPolarHBondContact O-CA 3.26Å; F134-K137 PolarHBondContact O-N 3.47Å; R135-K137 PolarHBondContact O-N 3.09Å; R135-K137 VanDerWaalsContact O-N 3.1Å; K137-S139 PolarHBondContact O-N 2.7Å; K137-S139 VanDerWaalsContact O-N 3.14Å
138	D	75	Confident	84.2	Confident	51 Å²	51	38.6 Å²	38.6	27%	0.273	22%	0.215	S	C	.	.			trans	-84.3	80.8	169.2	-174	14.5	0	0	0	111	A133 G136 T140 Y141	A133-D138 HydrophobicContact CB-CB 4.37Å; A133-D138 PolarHBondContact O-N 2.68Å; G136-D138 PolarHBondContact O-N 3.22Å; D138-T140 PolarHBondContact O-N 2.93Å; D138-T140 WeakPolarHBondContact OD1-CA 3.22Å; D138-T140 WeakPolarHBondContact OD1-CB 3.47Å; D138-T140 PolarHBondContact OD1-N 2.91Å; D138-T140 PolarHBondContact OD1-OG1 3.26Å; D138-Y141 PolarHBondContact OD1-N 2.86Å
139	S	80	Confident	84.4	Confident	69 Å²	69	36 Å²	36	48%	0.483	20%	0.203	S	C	.	.	H	α-helix	trans	-68.2	-16	170.3	56.8	0	0	0	0	113.3	K137 V142 T143	K137-S139 PolarHBondContact O-N 2.7Å; K137-S139 VanDerWaalsContact O-N 3.14Å; S139-V142 PolarHBondContact O-N 3.1Å; S139-T143 PolarHBondContact O-N 2.79Å; S139-T143 VanDerWaalsContact O-N 3.11Å; S139-T143 PolarHBondContact O-OG1 2.77Å
140	T	85.4	Confident	84.5	Confident	78 Å²	78	36.5 Å²	36.5	48%	0.479	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-46.6	176.2	-21.4	0	0	0	0	110.4	D138 V142 T143 I144	D138-T140 PolarHBondContact O-N 2.93Å; D138-T140 WeakPolarHBondContact OD1-CA 3.22Å; D138-T140 WeakPolarHBondContact OD1-CB 3.47Å; D138-T140 PolarHBondContact OD1-N 2.91Å; D138-T140 PolarHBondContact OD1-OG1 3.26Å; T140-V142 PolarHBondContact O-N 3.38Å; T140-T143 PolarHBondContact O-N 3.48Å; T140-T143 VanDerWaalsContact O-N 3.12Å; T140-I144 HydrophobicContact CG2-CD1 4.27Å; T140-I144 VanDerWaalsContact O-CG1 3.31Å; T140-I144 WeakPolarHBondContact O-CG1 3.33Å; T140-I144 PolarHBondContact O-N 2.65Å
141	Y	89.1	Confident	84.3	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-48.2	179.4	-176.9	-88.2	0	0	0	112.3	I118 L126 Y129 M130 A133 D138 T143 I144 F145 F492	I118-Y141 HydrophobicContact CG2-CD2 4.05Å; I118-Y141 HydrophobicContact CG2-CE2 3.27Å; L126-Y141 WeakPolarHBondContact CB-OH 3.13Å; L126-Y141 VanDerWaalsContact CD2-OH 3.25Å; L126-Y141 WeakPolarHBondContact CD2-OH 3.49Å; L126-Y141 PolarHBondContact O-OH 3.45Å; Y129-Y141 AromaticContact CD1-CD1 3.86Å; Y129-Y141 HydrophobicContact CD1-CD1 3.86Å; Y129-Y141 AromaticContact CD1-CD2 3.69Å; Y129-Y141 HydrophobicContact CD1-CD2 3.69Å; Y129-Y141 AromaticContact CD1-CE1 3.78Å; Y129-Y141 HydrophobicContact CD1-CE1 3.78Å; Y129-Y141 AromaticContact CD1-CE2 3.6Å; Y129-Y141 HydrophobicContact CD1-CE2 3.6Å; Y129-Y141 AromaticContact CD1-CG 3.82Å; Y129-Y141 HydrophobicContact CD1-CG 3.82Å; Y129-Y141 AromaticContact CD1-CZ 3.66Å; Y129-Y141 HydrophobicContact CE1-CD1 4.29Å; Y129-Y141 AromaticContact CE1-CD2 3.58Å; Y129-Y141 HydrophobicContact CE1-CD2 3.58Å; Y129-Y141 AromaticContact CE1-CE2 3.89Å; Y129-Y141 HydrophobicContact CE1-CE2 3.89Å; Y129-Y141 AromaticContact CE1-CG 3.8Å; Y129-Y141 HydrophobicContact CE1-CG 3.8Å; M130-Y141 HydrophobicContact CB-CD1 4.16Å; M130-Y141 HydrophobicContact CB-CE1 3.8Å; M130-Y141 HydrophobicContact CG-CD1 4.22Å; M130-Y141 HydrophobicContact CG-CE1 4.2Å; A133-Y141 HydrophobicContact CB-CD1 4.27Å; A133-Y141 HydrophobicContact CB-CG 4.26Å; D138-Y141 PolarHBondContact OD1-N 2.86Å; Y141-T143 VanDerWaalsContact C-N 3.26Å; Y141-T143 PolarHBondContact O-N 3Å; Y141-I144 PolarHBondContact O-N 3.37Å; Y141-F145 HydrophobicContact CE1-CB 4.14Å; Y141-F145 HydrophobicContact CE1-CD2 4.39Å; Y141-F145 WeakPolarHBondContact O-CB 3.49Å; Y141-F145 PolarHBondContact O-N 3.17Å; Y141-F492 HydrophobicContact CD2-CD1 4.32Å; Y141-F492 AromaticContact CD2-CE1 3.56Å; Y141-F492 HydrophobicContact CD2-CE1 3.56Å; Y141-F492 AromaticContact CD2-CZ 3.8Å; Y141-F492 HydrophobicContact CD2-CZ 3.8Å; Y141-F492 HydrophobicContact CE1-CZ 4.47Å; Y141-F492 AromaticContact CE2-CD1 3.68Å; Y141-F492 HydrophobicContact CE2-CD1 3.68Å; Y141-F492 HydrophobicContact CE2-CD2 4.25Å; Y141-F492 AromaticContact CE2-CE1 3.18Å; Y141-F492 HydrophobicContact CE2-CE1 3.18Å; Y141-F492 AromaticContact CE2-CE2 3.82Å; Y141-F492 HydrophobicContact CE2-CE2 3.82Å; Y141-F492 HydrophobicContact CE2-CG 4.18Å; Y141-F492 AromaticContact CE2-CZ 3.24Å; Y141-F492 HydrophobicContact CE2-CZ 3.24Å; Y141-F492 AromaticContact CZ-CE2 3.85Å; Y141-F492 AromaticContact CZ-CZ 3.63Å
142	V	88.1	Confident	84.6	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-40.7	177.8	-174.3	0	0	0	0	110.8	M130 F134 S139 T140 F145 L146 I195	M130-V142 HydrophobicContact CG-CB 4.2Å; M130-V142 HydrophobicContact CG-CG1 4.11Å; M130-V142 HydrophobicContact CG-CG2 3.77Å; M130-V142 HydrophobicContact SD-CG1 4.03Å; F134-V142 HydrophobicContact CB-CG2 4.05Å; F134-V142 HydrophobicContact CD2-CG2 3.84Å; F134-V142 HydrophobicContact CG-CG2 4.43Å; S139-V142 PolarHBondContact O-N 3.1Å; T140-V142 PolarHBondContact O-N 3.38Å; V142-F145 PolarHBondContact O-N 2.96Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.28Å; V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 WeakPolarHBondContact O-CG 3.35Å; V142-L146 PolarHBondContact O-N 3.04Å; V142-I195 HydrophobicContact CG1-CG1 4.2Å; V142-I195 HydrophobicContact CG1-CG2 4.19Å
143	T	88.8	Confident	84.9	Confident	41 Å²	41	36.9 Å²	36.9	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-68.1	-41.3	179.7	-48.5	0	0	0	0	111.9	S139 T140 Y141 C147 Y203 F499	S139-T143 PolarHBondContact O-N 2.79Å; S139-T143 VanDerWaalsContact O-N 3.11Å; S139-T143 PolarHBondContact O-OG1 2.77Å; T140-T143 PolarHBondContact O-N 3.48Å; T140-T143 VanDerWaalsContact O-N 3.12Å; Y141-T143 VanDerWaalsContact C-N 3.26Å; Y141-T143 PolarHBondContact O-N 3Å; T143-C147 VanDerWaalsContact O-CB 3.22Å; T143-C147 WeakPolarHBondContact O-CB 3.3Å; T143-C147 PolarHBondContact O-N 3.41Å; T143-C147 VanDerWaalsContact O-N 3.16Å; T143-Y203 PolarHBondContact O-OH 2.87Å; T143-F499 HydrophobicContact CG2-CE2 3.84Å; T143-F499 HydrophobicContact CG2-CZ 3.59Å
144	I	91	Very high	85.4	Confident	9 Å²	9	40.1 Å²	40.1	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-52.3	173.4	-64.4	158.2	0	0	0	110	T140 Y141 C147 T148 F492 R495 R496 F499	T140-I144 HydrophobicContact CG2-CD1 4.27Å; T140-I144 VanDerWaalsContact O-CG1 3.31Å; T140-I144 WeakPolarHBondContact O-CG1 3.33Å; T140-I144 PolarHBondContact O-N 2.65Å; Y141-I144 PolarHBondContact O-N 3.37Å; I144-C147 PolarHBondContact O-N 3.04Å; I144-T148 WeakPolarHBondContact O-CB 3.48Å; I144-T148 WeakPolarHBondContact O-CG2 3.33Å; I144-T148 PolarHBondContact O-N 3.39Å; I144-T148 PolarHBondContact O-OG1 3.19Å; I144-F492 HydrophobicContact CB-CE1 4.27Å; I144-F492 HydrophobicContact CB-CZ 3.99Å; I144-F492 HydrophobicContact CG2-CE1 3.65Å; I144-F492 HydrophobicContact CG2-CE2 4.34Å; I144-F492 HydrophobicContact CG2-CZ 3.43Å; I144-F492 VanDerWaalsContact CG2-CZ 3.43Å; I144-R495 HydrophobicContact CG2-CB 4.32Å; I144-R496 HydrophobicContact CD1-CG 4.43Å; I144-F499 HydrophobicContact CB-CB 4.33Å; I144-F499 HydrophobicContact CB-CD1 4.44Å; I144-F499 HydrophobicContact CB-CG 4.17Å; I144-F499 HydrophobicContact CD1-CD1 4.43Å; I144-F499 HydrophobicContact CG1-CB 3.97Å; I144-F499 HydrophobicContact CG1-CD1 3.43Å; I144-F499 VanDerWaalsContact CG1-CD1 3.43Å; I144-F499 HydrophobicContact CG1-CD2 4.31Å; I144-F499 HydrophobicContact CG1-CE1 3.96Å; I144-F499 HydrophobicContact CG1-CG 3.62Å; I144-F499 HydrophobicContact CG2-CB 3.98Å; I144-F499 HydrophobicContact CG2-CG 4.37Å
145	F	92.6	Very high	85.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-53.9	-176.2	-176.9	-81.9	0	0	0	111.2	L123 L126 V127 M130 Y141 V142 C147 T148 Y149 F152 V158 F492	L123-F145 HydrophobicContact CD1-CZ 4.31Å; L126-F145 HydrophobicContact CB-CD2 4.19Å; L126-F145 HydrophobicContact CB-CE2 3.72Å; V127-F145 HydrophobicContact CG2-CE1 4.43Å; V127-F145 HydrophobicContact CG2-CE2 4.39Å; V127-F145 HydrophobicContact CG2-CZ 3.75Å; M130-F145 HydrophobicContact CE-CD1 4.02Å; M130-F145 HydrophobicContact CE-CE1 4.06Å; M130-F145 HydrophobicContact SD-CB 4.06Å; M130-F145 HydrophobicContact SD-CD1 3.39Å; M130-F145 WeakPolarHBondContact SD-CD1 3.39Å; M130-F145 HydrophobicContact SD-CE1 4.05Å; M130-F145 HydrophobicContact SD-CG 3.83Å; Y141-F145 HydrophobicContact CE1-CB 4.14Å; Y141-F145 HydrophobicContact CE1-CD2 4.39Å; Y141-F145 WeakPolarHBondContact O-CB 3.49Å; Y141-F145 PolarHBondContact O-N 3.17Å; V142-F145 PolarHBondContact O-N 2.96Å; F145-C147 PolarHBondContact O-N 3.29Å; F145-C147 VanDerWaalsContact O-N 3.17Å; F145-T148 PolarHBondContact O-N 3.44Å; F145-T148 VanDerWaalsContact O-N 3.07Å; F145-Y149 HydrophobicContact CE1-CG 4.36Å; F145-Y149 WeakPolarHBondContact O-CB 3.47Å; F145-Y149 PolarHBondContact O-N 3.26Å; F145-F152 HydrophobicContact CD2-CZ 4.38Å; F145-F152 HydrophobicContact CE2-CE2 4.13Å; F145-F152 HydrophobicContact CE2-CZ 4.06Å; F145-V158 HydrophobicContact CE1-CG1 3.79Å; F145-V158 HydrophobicContact CE1-CG2 4.18Å; F145-V158 HydrophobicContact CZ-CG1 4.3Å; F145-V158 HydrophobicContact CZ-CG2 4.1Å; F145-F492 HydrophobicContact CB-CE2 4.26Å; F145-F492 HydrophobicContact CB-CZ 4.26Å; F145-F492 AromaticContact CD2-CE2 4Å; F145-F492 HydrophobicContact CD2-CE2 4Å
146	L	90.1	Very high	86.5	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-26.4	179.2	-68.1	179.2	0	0	0	112.6	M130 V142 R150 W199 Y203	M130-L146 HydrophobicContact SD-CD2 4.47Å; M130-L146 HydrophobicContact SD-CG 4.47Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.28Å; V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 WeakPolarHBondContact O-CG 3.35Å; V142-L146 PolarHBondContact O-N 3.04Å; L146-R150 VanDerWaalsContact O-CZ 3.3Å; L146-R150 PolarHBondContact O-NH1 3.3Å; L146-R150 PolarHBondContact O-NH2 3.46Å; L146-W199 HydrophobicContact CD1-CB 4.13Å; L146-W199 HydrophobicContact CD1-CG 4.47Å; L146-W199 HydrophobicContact CD2-CB 4.27Å; L146-W199 HydrophobicContact CD2-CD2 3.89Å; L146-W199 HydrophobicContact CD2-CE3 4.45Å; L146-W199 HydrophobicContact CD2-CG 3.81Å; L146-Y203 HydrophobicContact CB-CD2 3.96Å; L146-Y203 HydrophobicContact CB-CE2 3.52Å; L146-Y203 HydrophobicContact CD1-CE2 4.34Å
147	C	88.4	Confident	87.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-80.9	-26.3	176.2	-154.4	0	0	0	0	114.1	T143 I144 F145 R150 Y203 F499 I502	T143-C147 VanDerWaalsContact O-CB 3.22Å; T143-C147 WeakPolarHBondContact O-CB 3.3Å; T143-C147 PolarHBondContact O-N 3.41Å; T143-C147 VanDerWaalsContact O-N 3.16Å; I144-C147 PolarHBondContact O-N 3.04Å; F145-C147 PolarHBondContact O-N 3.29Å; F145-C147 VanDerWaalsContact O-N 3.17Å; C147-R150 PolarHBondContact O-NH1 3.41Å; C147-Y203 HydrophobicContact CB-CE1 4.08Å; C147-Y203 WeakPolarHBondContact CB-OH 3.3Å; C147-F499 HydrophobicContact CB-CD2 3.71Å; C147-F499 HydrophobicContact CB-CE2 3.9Å; C147-I502 WeakPolarHBondContact SG-CG2 3.32Å
148	T	90.8	Very high	88.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-115.9	-18	-168	57.8	0	0	0	0	115.6	I144 F145 R150 S151 R495 F499	I144-T148 WeakPolarHBondContact O-CB 3.48Å; I144-T148 WeakPolarHBondContact O-CG2 3.33Å; I144-T148 PolarHBondContact O-N 3.39Å; I144-T148 PolarHBondContact O-OG1 3.19Å; F145-T148 PolarHBondContact O-N 3.44Å; F145-T148 VanDerWaalsContact O-N 3.07Å; T148-R150 PolarHBondContact O-N 3.3Å; T148-S151 PolarHBondContact O-N 2.91Å; T148-S151 VanDerWaalsContact O-N 3.1Å; T148-S151 PolarHBondContact O-OG 3.27Å; T148-R495 HydrophobicContact CG2-CB 4.2Å; T148-F499 HydrophobicContact CG2-CB 4.37Å
149	Y	91.4	Very high	89.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.1	-31.1	-169.1	78	-92	0	0	0	115	F145 S151 F152 A153 T155 V158 W199 D206	F145-Y149 HydrophobicContact CE1-CG 4.36Å; F145-Y149 WeakPolarHBondContact O-CB 3.47Å; F145-Y149 PolarHBondContact O-N 3.26Å; Y149-S151 PolarHBondContact O-N 2.88Å; Y149-F152 CarbonylContact O-C 3.4Å; Y149-F152 PolarHBondContact O-N 2.92Å; Y149-A153 HydrophobicContact CD2-CB 4.45Å; Y149-A153 WeakPolarHBondContact CD2-O 3.24Å; Y149-A153 PolarHBondContact O-N 3.14Å; Y149-T155 PolarHBondContact OH-OG1 3.3Å; Y149-V158 HydrophobicContact CD2-CG2 3.67Å; Y149-V158 HydrophobicContact CE2-CG2 4.19Å; Y149-V158 HydrophobicContact CG-CG2 4.14Å; Y149-W199 HydrophobicContact CE1-CZ2 4.22Å; Y149-W199 AromaticContact CZ-CZ2 3.92Å; Y149-D206 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D206 PolarHBondContact OH-OD2 3.29Å
150	R	89.2	Confident	89.7	Confident	41 Å²	41	27.4 Å²	27.4	16%	0.155	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-59.8	-13.7	-179.6	-60.6	168.7	-148.1	68.5	2.6	114.4	L146 C147 T148 A153 Y203 D206 Y305	L146-R150 VanDerWaalsContact O-CZ 3.3Å; L146-R150 PolarHBondContact O-NH1 3.3Å; L146-R150 PolarHBondContact O-NH2 3.46Å; C147-R150 PolarHBondContact O-NH1 3.41Å; T148-R150 PolarHBondContact O-N 3.3Å; R150-A153 WeakPolarHBondContact CA-O 3.38Å; R150-Y203 VanDerWaalsContact NH2-CD1 3.34Å; R150-D206 IonicContact CZ-OD1 3.76Å; R150-D206 IonicContact CZ-OD2 3.36Å; R150-D206 IonicContact NE-OD1 3.14Å; R150-D206 PolarHBondContact NE-OD1 3.04Å; R150-D206 IonicContact NE-OD2 2.77Å; R150-D206 IonicContact NH2-OD1 2.88Å; R150-D206 PolarHBondContact NH2-OD1 3.32Å; R150-D206 IonicContact NH2-OD2 3.31Å; R150-D206 PolarHBondContact NH2-OD2 2.84Å; R150-Y305 VanDerWaalsContact CD-CD1 3.47Å; R150-Y305 VanDerWaalsContact CD-CE1 3.5Å; R150-Y305 VanDerWaalsContact CZ-CD1 3.46Å; R150-Y305 VanDerWaalsContact NE-CD1 3.27Å; R150-Y305 VanDerWaalsContact NE-CE1 3.3Å
151	S	85.4	Confident	89.9	Confident	36 Å²	36	25.7 Å²	25.7	25%	0.252	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-78.2	-18.6	171.6	58	0	0	0	0	113.9	T148 Y149 R495	T148-S151 PolarHBondContact O-N 2.91Å; T148-S151 VanDerWaalsContact O-N 3.1Å; T148-S151 PolarHBondContact O-OG 3.27Å; Y149-S151 PolarHBondContact O-N 2.88Å; S151-R495 VanDerWaalsContact OG-CZ 3.31Å; S151-R495 PolarHBondContact OG-NE 3.15Å; S151-R495 PolarHBondContact OG-NH1 2.85Å
152	F	88.6	Confident	89.8	Confident	27 Å²	27	25.8 Å²	25.8	12%	0.118	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-9.4	-175.6	59.4	-99.7	0	0	0	115.3	L123 L126 F145 Y149 I490 R495	L123-F152 HydrophobicContact CD1-CD2 4.1Å; L123-F152 HydrophobicContact CD1-CE2 3.79Å; L126-F152 HydrophobicContact CD1-CE2 4.04Å; L126-F152 HydrophobicContact CD1-CZ 4.19Å; F145-F152 HydrophobicContact CD2-CZ 4.38Å; F145-F152 HydrophobicContact CE2-CE2 4.13Å; F145-F152 HydrophobicContact CE2-CZ 4.06Å; Y149-F152 CarbonylContact O-C 3.4Å; Y149-F152 PolarHBondContact O-N 2.92Å; F152-I490 HydrophobicContact CB-CG2 4.25Å; F152-I490 HydrophobicContact CD1-CG2 3.88Å; F152-I490 HydrophobicContact CD2-CD1 3.67Å; F152-I490 HydrophobicContact CD2-CG1 4.32Å; F152-I490 HydrophobicContact CD2-CG2 3.98Å; F152-I490 HydrophobicContact CE1-CG2 4.14Å; F152-I490 HydrophobicContact CE2-CD1 4.12Å; F152-I490 HydrophobicContact CE2-CG2 4.23Å; F152-I490 HydrophobicContact CG-CD1 4.34Å; F152-I490 HydrophobicContact CG-CG2 3.78Å; F152-I490 HydrophobicContact CZ-CG2 4.29Å; F152-R495 HydrophobicContact CD1-CG 4.44Å; F152-R495 HydrophobicContact CE1-CG 3.89Å
153	A	91.1	Very high	89.7	Confident	10 Å²	10	26.2 Å²	26.2	8%	0.083	14%	0.138	C	C	.	.			trans	-150.8	155	-179.3	0	0	0	0	0	112.4	L123 Y149 R150 V158	L123-A153 HydrophobicContact CD1-CB 3.61Å; L123-A153 HydrophobicContact CD2-CB 3.66Å; L123-A153 HydrophobicContact CG-CB 4.3Å; Y149-A153 HydrophobicContact CD2-CB 4.45Å; Y149-A153 WeakPolarHBondContact CD2-O 3.24Å; Y149-A153 PolarHBondContact O-N 3.14Å; R150-A153 WeakPolarHBondContact CA-O 3.38Å; A153-V158 HydrophobicContact CB-CG2 4.03Å
154	T	90.1	Very high	89.4	Confident	74 Å²	74	28.3 Å²	28.3	45%	0.454	15%	0.147	S	C	.	.			trans	-87.8	155.4	173.9	63.9	0	0	0	0	112.3	K156 Q157 V158	T154-K156 PolarHBondContact O-N 2.85Å; T154-Q157 PolarHBondContact O-N 2.72Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.36Å; T154-Q157 PolarHBondContact OG1-N 2.78Å; T154-Q157 PolarHBondContact OG1-OE1 3.08Å; T154-V158 PolarHBondContact O-N 3.46Å; T154-V158 VanDerWaalsContact O-N 3.12Å
155	T	90.5	Very high	88.6	Confident	18 Å²	18	31 Å²	31	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-50.4	-41.6	172.9	-45.9	0	0	0	0	111.4	Y149 V158 L159 W199 D206 C215	Y149-T155 PolarHBondContact OH-OG1 3.3Å; T155-V158 PolarHBondContact O-N 2.84Å; T155-L159 VanDerWaalsContact O-CB 3.26Å; T155-L159 WeakPolarHBondContact O-CB 3.48Å; T155-L159 PolarHBondContact O-N 3.28Å; T155-W199 HydrophobicContact CG2-CH2 4.12Å; T155-W199 HydrophobicContact CG2-CZ2 3.67Å; T155-D206 HydrophobicContact CG2-CB 4.1Å; T155-D206 WeakPolarHBondContact CG2-O 3.45Å; T155-D206 PolarHBondContact OG1-O 3.14Å; T155-C215 HydrophobicContact CG2-CB 4.25Å
156	K	89.5	Confident	87.5	Confident	86 Å²	86	31.4 Å²	31.4	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-64.1	-49.2	-178.9	-165.9	165.4	-170.4	167.6	0	111.9	T154 V158 L159 D160 E214	T154-K156 PolarHBondContact O-N 2.85Å; K156-V158 PolarHBondContact O-N 3.46Å; K156-L159 PolarHBondContact O-N 3.02Å; K156-D160 WeakPolarHBondContact O-CB 3.31Å; K156-D160 VanDerWaalsContact O-CG 3.23Å; K156-D160 PolarHBondContact O-N 2.89Å; K156-E214 IonicContact NZ-OE2 2.69Å; K156-E214 PolarHBondContact NZ-OE2 2.83Å
157	Q	91.4	Very high	86.6	Confident	92 Å²	92	32.7 Å²	32.7	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-60.6	-42.8	176.8	-71.1	162.5	-61.5	0	0	112.6	L123 T154 L161	L123-Q157 HydrophobicContact CD2-CB 4.07Å; T154-Q157 PolarHBondContact O-N 2.72Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.36Å; T154-Q157 PolarHBondContact OG1-N 2.78Å; T154-Q157 PolarHBondContact OG1-OE1 3.08Å; Q157-L161 WeakPolarHBondContact O-CB 3.16Å; Q157-L161 VanDerWaalsContact O-CG 3.29Å; Q157-L161 WeakPolarHBondContact O-CG 3.24Å; Q157-L161 PolarHBondContact O-N 3.41Å
158	V	92.3	Very high	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-42.9	178.1	173.6	0	0	0	0	111.2	L123 F145 Y149 A153 T154 T155 K156 L162 W199	L123-V158 HydrophobicContact CD1-CG2 4.44Å; F145-V158 HydrophobicContact CE1-CG1 3.79Å; F145-V158 HydrophobicContact CE1-CG2 4.18Å; F145-V158 HydrophobicContact CZ-CG1 4.3Å; F145-V158 HydrophobicContact CZ-CG2 4.1Å; Y149-V158 HydrophobicContact CD2-CG2 3.67Å; Y149-V158 HydrophobicContact CE2-CG2 4.19Å; Y149-V158 HydrophobicContact CG-CG2 4.14Å; A153-V158 HydrophobicContact CB-CG2 4.03Å; T154-V158 PolarHBondContact O-N 3.46Å; T154-V158 VanDerWaalsContact O-N 3.12Å; T155-V158 PolarHBondContact O-N 2.84Å; K156-V158 PolarHBondContact O-N 3.46Å; V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.99Å; V158-L162 VanDerWaalsContact O-N 3.08Å; V158-W199 HydrophobicContact CB-CH2 3.9Å; V158-W199 HydrophobicContact CB-CZ2 4.5Å; V158-W199 HydrophobicContact CG1-CH2 3.55Å; V158-W199 HydrophobicContact CG1-CZ2 4.18Å; V158-W199 HydrophobicContact CG1-CZ3 4.01Å
159	L	90.7	Very high	84.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-51.8	175.4	-177.8	64.1	0	0	0	110.6	T155 K156 L161 L162 L163 L196 W199 C215 Q218 L219	T155-L159 VanDerWaalsContact O-CB 3.26Å; T155-L159 WeakPolarHBondContact O-CB 3.48Å; T155-L159 PolarHBondContact O-N 3.28Å; K156-L159 PolarHBondContact O-N 3.02Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 2.88Å; L159-L162 PolarHBondContact O-N 3.23Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L159-L163 HydrophobicContact CD1-CD1 3.95Å; L159-L163 HydrophobicContact CD1-CD2 4.14Å; L159-L163 HydrophobicContact CD1-CG 3.92Å; L159-L163 HydrophobicContact CG-CD1 3.96Å; L159-L163 HydrophobicContact CG-CG 4.18Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.41Å; L159-L163 PolarHBondContact O-N 3.5Å; L159-L196 HydrophobicContact CD1-CD2 4.34Å; L159-W199 HydrophobicContact CB-CH2 4.16Å; L159-W199 HydrophobicContact CB-CZ3 4.29Å; L159-W199 HydrophobicContact CD1-CZ3 4.27Å; L159-C215 HydrophobicContact CD2-CB 4.13Å; L159-C215 WeakPolarHBondContact CD2-O 3.3Å; L159-Q218 HydrophobicContact CD2-CB 4.35Å; L159-Q218 HydrophobicContact CD2-CG 4.26Å; L159-L219 HydrophobicContact CD1-CD1 4.26Å; L159-L219 HydrophobicContact CD2-CB 4.46Å
160	D	89.4	Confident	82.6	Confident	52 Å²	52	47.8 Å²	47.8	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-53.6	-45.4	177.6	-75.4	-31.4	0	0	0	111.5	K156 N164 Q218	K156-D160 WeakPolarHBondContact O-CB 3.31Å; K156-D160 VanDerWaalsContact O-CG 3.23Å; K156-D160 PolarHBondContact O-N 2.89Å; D160-N164 WeakPolarHBondContact O-CB 3.38Å; D160-N164 PolarHBondContact O-N 3.26Å; D160-N164 PolarHBondContact O-ND2 3.03Å; D160-Q218 PolarHBondContact OD1-NE2 2.88Å
161	L	89.4	Confident	81.1	Confident	42 Å²	42	51.9 Å²	51.9	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-40.6	178.5	-73.3	171.5	0	0	0	112.6	L123 E124 V127 Q157 L159 R165	L123-L161 HydrophobicContact CB-CD1 4.31Å; L123-L161 HydrophobicContact CD2-CD1 3.76Å; L123-L161 HydrophobicContact CG-CD1 3.61Å; E124-L161 HydrophobicContact CG-CD2 3.94Å; V127-L161 HydrophobicContact CB-CB 4.33Å; V127-L161 HydrophobicContact CG1-CB 3.96Å; V127-L161 HydrophobicContact CG2-CB 4.31Å; V127-L161 HydrophobicContact CG2-CD1 4.25Å; Q157-L161 WeakPolarHBondContact O-CB 3.16Å; Q157-L161 VanDerWaalsContact O-CG 3.29Å; Q157-L161 WeakPolarHBondContact O-CG 3.24Å; Q157-L161 PolarHBondContact O-N 3.41Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 2.88Å; L161-R165 WeakPolarHBondContact O-CB 3.29Å; L161-R165 PolarHBondContact O-N 3.28Å
162	L	87.4	Confident	79.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-48	175.2	-77.7	168.6	0	0	0	112.2	V127 M130 V131 V158 L159 R165 Y166 W199	V127-L162 HydrophobicContact CG1-CD2 3.72Å; V127-L162 HydrophobicContact CG1-CG 3.78Å; M130-L162 HydrophobicContact CE-CD1 3.98Å; M130-L162 HydrophobicContact CE-CD2 3.89Å; M130-L162 HydrophobicContact CE-CG 4.31Å; V131-L162 HydrophobicContact CG2-CD2 4.12Å; V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.99Å; V158-L162 VanDerWaalsContact O-N 3.08Å; L159-L162 PolarHBondContact O-N 3.23Å; L159-L162 VanDerWaalsContact O-N 3.12Å; L162-R165 PolarHBondContact O-N 3.39Å; L162-Y166 PolarHBondContact O-N 3.19Å; L162-W199 HydrophobicContact CD1-CE3 4.26Å; L162-W199 HydrophobicContact CD1-CZ3 3.85Å
163	L	85.6	Confident	77.6	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-45	-177.9	-58.5	-169.9	0	0	0	111.4	L159 R165 Y166 A167 Q218 Y222	L159-L163 HydrophobicContact CD1-CD1 3.95Å; L159-L163 HydrophobicContact CD1-CD2 4.14Å; L159-L163 HydrophobicContact CD1-CG 3.92Å; L159-L163 HydrophobicContact CG-CD1 3.96Å; L159-L163 HydrophobicContact CG-CG 4.18Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.41Å; L159-L163 PolarHBondContact O-N 3.5Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 2.9Å; L163-Y166 PolarHBondContact O-N 2.9Å; L163-A167 PolarHBondContact O-N 2.92Å; L163-Q218 HydrophobicContact CD1-CG 4.42Å; L163-Y222 HydrophobicContact CB-CD2 4.3Å; L163-Y222 HydrophobicContact CB-CE2 4.26Å; L163-Y222 HydrophobicContact CD1-CD2 4.13Å; L163-Y222 HydrophobicContact CD1-CG 3.98Å; L163-Y222 HydrophobicContact CD2-CD1 3.58Å; L163-Y222 HydrophobicContact CD2-CD2 3.87Å; L163-Y222 HydrophobicContact CD2-CE1 3.55Å; L163-Y222 HydrophobicContact CD2-CE2 3.84Å; L163-Y222 HydrophobicContact CD2-CG 3.73Å; L163-Y222 HydrophobicContact CG-CD2 4.3Å; L163-Y222 HydrophobicContact CG-CE2 4.48Å; L163-Y222 HydrophobicContact CG-CG 4.37Å
164	N	82.2	Confident	75.6	Confident	85 Å²	85	60.2 Å²	60.2	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-33.7	176.6	-77	-65.2	0	0	0	112.4	D160 A167 K168	D160-N164 WeakPolarHBondContact O-CB 3.38Å; D160-N164 PolarHBondContact O-N 3.26Å; D160-N164 PolarHBondContact O-ND2 3.03Å; N164-A167 PolarHBondContact O-N 3.36Å; N164-K168 WeakPolarHBondContact O-CB 3.5Å; N164-K168 VanDerWaalsContact O-CG 3.24Å; N164-K168 WeakPolarHBondContact O-CG 3.36Å; N164-K168 PolarHBondContact O-N 2.99Å
165	R	73.8	Confident	73.6	Confident	67 Å²	67	61.8 Å²	61.8	25%	0.253	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-43.7	173.7	-178.5	176.8	-176.1	77.8	3	111.4	E128 L161 L162 L163 L169	E128-R165 IonicContact OE1-CZ 3.48Å; E128-R165 IonicContact OE1-NH1 3.75Å; E128-R165 PolarHBondContact OE1-NH1 3.46Å; E128-R165 IonicContact OE1-NH2 3.2Å; E128-R165 PolarHBondContact OE1-NH2 3.43Å; L161-R165 WeakPolarHBondContact O-CB 3.29Å; L161-R165 PolarHBondContact O-N 3.28Å; L162-R165 PolarHBondContact O-N 3.39Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 2.9Å; R165-L169 HydrophobicContact CG-CD1 4.13Å; R165-L169 WeakPolarHBondContact O-CD1 3.42Å; R165-L169 WeakPolarHBondContact O-CG 3.45Å; R165-L169 PolarHBondContact O-N 3.41Å
166	Y	69.5	Low	71.6	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-64.8	-47.1	175.7	-172.2	-98.9	0	0	0	112	L162 L163 K168 L169 Q170 L188 R189 Y222	L162-Y166 PolarHBondContact O-N 3.19Å; L163-Y166 PolarHBondContact O-N 2.9Å; Y166-K168 PolarHBondContact O-N 3.34Å; Y166-L169 PolarHBondContact O-N 3.02Å; Y166-L169 VanDerWaalsContact O-N 3.09Å; Y166-Q170 HydrophobicContact CD1-CG 4.22Å; Y166-Q170 HydrophobicContact CE1-CG 3.82Å; Y166-Q170 PolarHBondContact O-N 3.46Å; Y166-Q170 PolarHBondContact OH-NE2 3.22Å; Y166-Q170 VanDerWaalsContact OH-NE2 3.13Å; Y166-L188 HydrophobicContact CD2-CD2 4Å; Y166-L188 HydrophobicContact CD2-CG 4.26Å; Y166-L188 HydrophobicContact CE2-CD2 4.32Å; Y166-L188 HydrophobicContact CE2-CG 4.49Å; Y166-R189 HydrophobicContact CE2-CB 3.96Å; Y166-R189 HydrophobicContact CE2-CG 4.28Å; Y166-R189 WeakPolarHBondContact OH-CG 3.43Å; Y166-Y222 WeakPolarHBondContact CB-OH 3.25Å; Y166-Y222 HydrophobicContact CD1-CE2 4.27Å; Y166-Y222 AromaticContact CD1-CZ 3.97Å; Y166-Y222 WeakPolarHBondContact CD1-OH 3.29Å
167	A	71.3	Confident	69.4	Low	30 Å²	30	62.9 Å²	62.9	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-40.9	178.6	0	0	0	0	0	112.8	L163 N164 L169 Q170 N171	L163-A167 PolarHBondContact O-N 2.92Å; N164-A167 PolarHBondContact O-N 3.36Å; A167-L169 VanDerWaalsContact C-N 3.3Å; A167-L169 PolarHBondContact O-N 3.34Å; A167-Q170 PolarHBondContact O-N 3.39Å; A167-N171 WeakPolarHBondContact O-CB 3.43Å; A167-N171 PolarHBondContact O-N 2.95Å; A167-N171 VanDerWaalsContact O-N 3.08Å; A167-N171 PolarHBondContact O-ND2 3.26Å; A167-N171 VanDerWaalsContact O-ND2 3.1Å
168	K	67.9	Low	67.3	Low	154 Å²	154	67.5 Å²	67.5	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-62.3	-34.7	174.1	-76.2	172.4	179.9	179.9	0	112.8	N164 Y166	N164-K168 WeakPolarHBondContact O-CB 3.5Å; N164-K168 VanDerWaalsContact O-CG 3.24Å; N164-K168 WeakPolarHBondContact O-CG 3.36Å; N164-K168 PolarHBondContact O-N 2.99Å; Y166-K168 PolarHBondContact O-N 3.34Å
169	L	60	Low	65.2	Low	79 Å²	79	78.7 Å²	78.7	41%	0.414	43%	0.432	S	S	.	.	H	α-helix	trans	-83	-19.8	180	-70.3	167.6	0	0	0	113.5	R165 Y166 A167 L188	R165-L169 HydrophobicContact CG-CD1 4.13Å; R165-L169 WeakPolarHBondContact O-CD1 3.42Å; R165-L169 WeakPolarHBondContact O-CG 3.45Å; R165-L169 PolarHBondContact O-N 3.41Å; Y166-L169 PolarHBondContact O-N 3.02Å; Y166-L169 VanDerWaalsContact O-N 3.09Å; A167-L169 VanDerWaalsContact C-N 3.3Å; A167-L169 PolarHBondContact O-N 3.34Å; L169-L188 HydrophobicContact CB-CD2 3.89Å; L169-L188 HydrophobicContact CD1-CD1 4.4Å; L169-L188 HydrophobicContact CD1-CD2 3.6Å; L169-L188 HydrophobicContact CG-CD2 4.37Å
170	Q	59.9	Low	63.5	Low	86 Å²	86	83.3 Å²	83.3	40%	0.402	46%	0.46	S	S	.	.	H	α-helix	trans	-77.5	-37.6	165.6	-71.6	-161	-40.2	0	0	112.6	Y166 A167 V172 H226	Y166-Q170 HydrophobicContact CD1-CG 4.22Å; Y166-Q170 HydrophobicContact CE1-CG 3.82Å; Y166-Q170 PolarHBondContact O-N 3.46Å; Y166-Q170 PolarHBondContact OH-NE2 3.22Å; Y166-Q170 VanDerWaalsContact OH-NE2 3.13Å; A167-Q170 PolarHBondContact O-N 3.39Å; Q170-V172 PolarHBondContact O-N 3.1Å; Q170-V172 VanDerWaalsContact O-N 3.15Å; Q170-H226 PolarHBondContact OE1-CE1 3.46Å; Q170-H226 VanDerWaalsContact OE1-CE1 3.27Å; Q170-H226 PolarHBondContact OE1-ND1 3.45Å
171	N	56.5	Low	62.1	Low	126 Å²	126	83.3 Å²	83.3	67%	0.674	46%	0.464	S	S	*	.			trans	-84	25.1	-173.4	-71.1	-38.3	0	0	0	114.8	A167 P173	A167-N171 WeakPolarHBondContact O-CB 3.43Å; A167-N171 PolarHBondContact O-N 2.95Å; A167-N171 VanDerWaalsContact O-N 3.08Å; A167-N171 PolarHBondContact O-ND2 3.26Å; A167-N171 VanDerWaalsContact O-ND2 3.1Å; N171-P173 WeakPolarHBondContact O-CD 3.46Å
172	V	54.7	Low	60.8	Low	69 Å²	69	89.2 Å²	89.2	42%	0.418	49%	0.491	S	S	.	.			trans	-72.1	121.4	176.4	-179.7	0	0	0	0	109.4	Q170 S176	Q170-V172 PolarHBondContact O-N 3.1Å; Q170-V172 VanDerWaalsContact O-N 3.15Å; V172-S176 WeakPolarHBondContact CG1-OG 3.41Å
173	P	45.9	Very low	59.7	Low	91 Å²	91	94.4 Å²	94.4	59%	0.591	52%	0.519	S	S	*	.			trans	-62.4	142.7	-175.5	-25.1	35.2	0	0	0	113.4	N171 A175 S176	N171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-A175 PolarHBondContact O-N 3.48Å; P173-S176 PolarHBondContact O-N 3.5Å; P173-S176 PolarHBondContact O-OG 2.81Å
174	A	49.9	Very low	59	Low	89 Å²	89	96.8 Å²	96.8	74%	0.736	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-54.5	-23	-177.2	0	0	0	0	0	114.8	S176 A177	A174-S176 PolarHBondContact O-N 2.85Å; A174-A177 WeakPolarHBondContact O-CB 3.25Å; A174-A177 PolarHBondContact O-N 3.38Å
175	A	48.6	Very low	58.4	Low	106 Å²	106	94.9 Å²	94.9	88%	0.876	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19.3	175.6	0	0	0	0	0	114.7	P173	P173-A175 PolarHBondContact O-N 3.48Å
176	S	48	Very low	58.4	Low	68 Å²	68	94.2 Å²	94.2	48%	0.476	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-114.4	7.8	176.1	58.3	0	0	0	0	114.1	V172 P173 A174 H178	V172-S176 WeakPolarHBondContact CG1-OG 3.41Å; P173-S176 PolarHBondContact O-N 3.5Å; P173-S176 PolarHBondContact O-OG 2.81Å; A174-S176 PolarHBondContact O-N 2.85Å; S176-H178 PolarHBondContact O-N 2.69Å
177	A	44.1	Very low	58.9	Low	59 Å²	59	98.4 Å²	98.4	49%	0.488	55%	0.548	S	S	.	.			trans	-66.4	3	-172.7	0	0	0	0	0	116.1	A174 R179	A174-A177 WeakPolarHBondContact O-CB 3.25Å; A174-A177 PolarHBondContact O-N 3.38Å; A177-R179 PolarHBondContact O-N 2.98Å
178	H	45.9	Very low	59.2	Low	190 Å²	190	97.7 Å²	97.7	88%	0.88	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	16.4	178.6	-77.3	52.4	0	0	0	114.2	S176	S176-H178 PolarHBondContact O-N 2.69Å
179	R	49.4	Very low	59.7	Low	234 Å²	234	95.1 Å²	95.1	88%	0.883	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	1.6	-174	-74.7	-164.5	177.7	-163	0.7	117.1	A177	A177-R179 PolarHBondContact O-N 2.98Å
180	V	53.7	Low	60.8	Low	97 Å²	97	95.3 Å²	95.3	59%	0.588	53%	0.527	S	S	*	.	S	Bend	trans	-131.5	120.7	175.7	-177.5	0	0	0	0	107.2	D184	V180-D184 HydrophobicContact CG1-CB 3.82Å
181	S	60.7	Low	62	Low	52 Å²	52	91.6 Å²	91.6	36%	0.364	51%	0.51	S	S	.	.			trans	-69	154.2	176.8	-170.1	0	0	0	0	110.2	D183 D184 C185	S181-D183 PolarHBondContact O-N 3.2Å; S181-D183 PolarHBondContact OG-N 3.02Å; S181-D183 PolarHBondContact OG-OD2 3.18Å; S181-D184 WeakPolarHBondContact CA-OD2 3.42Å; S181-D184 VanDerWaalsContact CB-OD2 3.27Å; S181-D184 WeakPolarHBondContact CB-OD2 3.29Å; S181-D184 PolarHBondContact N-OD2 3.37Å; S181-D184 WeakPolarHBondContact O-CB 3.26Å; S181-D184 PolarHBondContact O-N 2.74Å; S181-D184 VanDerWaalsContact O-N 3.16Å; S181-C185 PolarHBondContact O-N 3.46Å
182	Q	61.3	Low	63.3	Low	167 Å²	167	85.8 Å²	85.8	78%	0.78	48%	0.48	S	S	*	.	H	α-helix	trans	-57.3	-34	167.9	-171.9	169.5	-7.8	0	0	110.6	C185 T186	Q182-C185 PolarHBondContact O-N 2.92Å; Q182-T186 PolarHBondContact O-N 3.15Å
183	D	65.2	Low	64.7	Low	112 Å²	112	83.8 Å²	83.8	60%	0.599	47%	0.469	S	S	*	.	H	α-helix	trans	-60.6	-48	174.9	-51.2	-56	0	0	0	111.7	S181 C185 T186 E187	S181-D183 PolarHBondContact O-N 3.2Å; S181-D183 PolarHBondContact OG-N 3.02Å; S181-D183 PolarHBondContact OG-OD2 3.18Å; D183-C185 PolarHBondContact O-N 2.79Å; D183-T186 CarbonylContact O-C 3.39Å; D183-T186 WeakPolarHBondContact O-CA 3.46Å; D183-T186 PolarHBondContact O-N 3.05Å; D183-T186 PolarHBondContact O-OG1 3.29Å; D183-E187 PolarHBondContact O-N 3.08Å
184	D	70.8	Confident	66.7	Low	65 Å²	65	82.1 Å²	82.1	35%	0.348	46%	0.459	S	S	.	.	H	α-helix	trans	-56.5	-37	179.4	-67.9	-56	0	0	0	112.4	R135 V180 S181 L188	R135-D184 IonicContact NH1-OD1 3.22Å; R135-D184 PolarHBondContact NH2-O 2.99Å; V180-D184 HydrophobicContact CG1-CB 3.82Å; S181-D184 WeakPolarHBondContact CA-OD2 3.42Å; S181-D184 VanDerWaalsContact CB-OD2 3.27Å; S181-D184 WeakPolarHBondContact CB-OD2 3.29Å; S181-D184 PolarHBondContact N-OD2 3.37Å; S181-D184 WeakPolarHBondContact O-CB 3.26Å; S181-D184 PolarHBondContact O-N 2.74Å; S181-D184 VanDerWaalsContact O-N 3.16Å; D184-L188 WeakPolarHBondContact O-CB 3.32Å; D184-L188 PolarHBondContact O-N 3.45Å
185	C	69.9	Low	68.6	Low	44 Å²	44	77.9 Å²	77.9	30%	0.297	42%	0.424	S	S	.	.	H	α-helix	trans	-71.1	-37.5	177.3	-165.4	0	0	0	0	111.5	S181 Q182 D183 L188 R189	S181-C185 PolarHBondContact O-N 3.46Å; Q182-C185 PolarHBondContact O-N 2.92Å; D183-C185 PolarHBondContact O-N 2.79Å; C185-L188 WeakPolarHBondContact O-CB 3.44Å; C185-L188 PolarHBondContact O-N 3.42Å; C185-R189 WeakPolarHBondContact O-CB 3.44Å; C185-R189 PolarHBondContact O-N 3.29Å
186	T	74.4	Confident	70.5	Confident	54 Å²	54	72.9 Å²	72.9	33%	0.331	38%	0.383	S	S	.	.	H	α-helix	trans	-71.8	-37.9	174.7	65.7	0	0	0	0	112.8	Q182 D183 L188 R189 N190	Q182-T186 PolarHBondContact O-N 3.15Å; D183-T186 CarbonylContact O-C 3.39Å; D183-T186 WeakPolarHBondContact O-CA 3.46Å; D183-T186 PolarHBondContact O-N 3.05Å; D183-T186 PolarHBondContact O-OG1 3.29Å; T186-L188 VanDerWaalsContact C-N 3.34Å; T186-L188 PolarHBondContact O-N 3.47Å; T186-R189 WeakPolarHBondContact O-CB 3.24Å; T186-R189 PolarHBondContact O-N 2.97Å; T186-N190 WeakPolarHBondContact O-CB 3.29Å; T186-N190 PolarHBondContact O-N 2.75Å; T186-N190 PolarHBondContact O-ND2 3.12Å; T186-N190 PolarHBondContact O-OD1 3.37Å
187	E	78.1	Confident	72.3	Confident	94 Å²	94	69.8 Å²	69.8	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-39.3	172.9	-170.3	-177.8	-125.3	0	0	111.1	R135 D183 R189 N190 T191	R135-E187 VanDerWaalsContact CD-OE2 3.26Å; R135-E187 WeakPolarHBondContact CD-OE2 3.26Å; R135-E187 IonicContact CZ-OE2 3.34Å; R135-E187 IonicContact NE-OE2 3.8Å; R135-E187 PolarHBondContact NE-OE2 3.07Å; R135-E187 IonicContact NH1-OE2 2.69Å; R135-E187 PolarHBondContact NH1-OE2 2.91Å; D183-E187 PolarHBondContact O-N 3.08Å; E187-R189 PolarHBondContact O-N 2.97Å; E187-N190 PolarHBondContact O-N 3.49Å; E187-T191 VanDerWaalsContact O-CB 3.29Å; E187-T191 WeakPolarHBondContact O-CB 3.42Å; E187-T191 PolarHBondContact O-N 3.26Å; E187-T191 PolarHBondContact O-OG1 2.96Å
188	L	78.6	Confident	74.4	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-48.9	171.9	-171.7	69.4	0	0	0	111.3	V131 Y166 L169 D184 C185 T186 N190 T191 V192	V131-L188 HydrophobicContact CG1-CD1 3.66Å; Y166-L188 HydrophobicContact CD2-CD2 4Å; Y166-L188 HydrophobicContact CD2-CG 4.26Å; Y166-L188 HydrophobicContact CE2-CD2 4.32Å; Y166-L188 HydrophobicContact CE2-CG 4.49Å; L169-L188 HydrophobicContact CB-CD2 3.89Å; L169-L188 HydrophobicContact CD1-CD1 4.4Å; L169-L188 HydrophobicContact CD1-CD2 3.6Å; L169-L188 HydrophobicContact CG-CD2 4.37Å; D184-L188 WeakPolarHBondContact O-CB 3.32Å; D184-L188 PolarHBondContact O-N 3.45Å; C185-L188 WeakPolarHBondContact O-CB 3.44Å; C185-L188 PolarHBondContact O-N 3.42Å; T186-L188 VanDerWaalsContact C-N 3.34Å; T186-L188 PolarHBondContact O-N 3.47Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.71Å; L188-T191 WeakPolarHBondContact O-CB 3.13Å; L188-T191 PolarHBondContact O-N 3.14Å; L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.37Å
189	R	77.9	Confident	76.4	Confident	100 Å²	100	59.2 Å²	59.2	38%	0.377	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-44.1	-179.9	-172.5	-176.2	66	-176.2	-1.3	111.5	Y166 C185 T186 E187 S193 F227	Y166-R189 HydrophobicContact CE2-CB 3.96Å; Y166-R189 HydrophobicContact CE2-CG 4.28Å; Y166-R189 WeakPolarHBondContact OH-CG 3.43Å; C185-R189 WeakPolarHBondContact O-CB 3.44Å; C185-R189 PolarHBondContact O-N 3.29Å; T186-R189 WeakPolarHBondContact O-CB 3.24Å; T186-R189 PolarHBondContact O-N 2.97Å; E187-R189 PolarHBondContact O-N 2.97Å; R189-S193 VanDerWaalsContact O-CB 3.24Å; R189-S193 WeakPolarHBondContact O-CB 3.42Å; R189-S193 PolarHBondContact O-N 3.25Å; R189-F227 HydrophobicContact CG-CD1 4.4Å; R189-F227 HydrophobicContact CG-CE1 3.38Å; R189-F227 HydrophobicContact CG-CE2 4.36Å; R189-F227 HydrophobicContact CG-CZ 3.36Å
190	N	82.5	Confident	78.2	Confident	84 Å²	84	48.4 Å²	48.4	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-68.7	-38.3	178.9	-62.4	-7.4	0	0	0	111.1	T186 E187 L188 S193 S194	T186-N190 WeakPolarHBondContact O-CB 3.29Å; T186-N190 PolarHBondContact O-N 2.75Å; T186-N190 PolarHBondContact O-ND2 3.12Å; T186-N190 PolarHBondContact O-OD1 3.37Å; E187-N190 PolarHBondContact O-N 3.49Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.71Å; N190-S193 PolarHBondContact O-N 3.29Å; N190-S194 WeakPolarHBondContact O-CB 3.28Å; N190-S194 PolarHBondContact O-N 3.3Å; N190-S194 PolarHBondContact O-OG 2.76Å
191	T	85.2	Confident	79.6	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-53.5	174.7	-63.9	0	0	0	0	111.4	V131 F134 E187 L188 S193 S194 I195	V131-T191 HydrophobicContact CG1-CG2 3.98Å; F134-T191 HydrophobicContact CB-CG2 4.05Å; F134-T191 HydrophobicContact CD1-CG2 3.74Å; F134-T191 HydrophobicContact CG-CG2 4.23Å; E187-T191 VanDerWaalsContact O-CB 3.29Å; E187-T191 WeakPolarHBondContact O-CB 3.42Å; E187-T191 PolarHBondContact O-N 3.26Å; E187-T191 PolarHBondContact O-OG1 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.13Å; L188-T191 PolarHBondContact O-N 3.14Å; T191-S193 VanDerWaalsContact C-N 3.33Å; T191-S193 PolarHBondContact O-N 3.39Å; T191-S194 WeakPolarHBondContact O-CB 3.36Å; T191-S194 PolarHBondContact O-N 2.73Å; T191-S194 VanDerWaalsContact O-N 3.1Å; T191-I195 HydrophobicContact CG2-CD1 3.96Å; T191-I195 WeakPolarHBondContact O-CG1 3.23Å; T191-I195 PolarHBondContact O-N 3.48Å
192	V	84.8	Confident	80.6	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-40.9	179	173.8	0	0	0	0	110.9	L188 S194 I195 L196	L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.37Å; V192-S194 VanDerWaalsContact C-N 3.29Å; V192-S194 PolarHBondContact O-N 2.92Å; V192-I195 PolarHBondContact O-N 2.8Å; V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.27Å; V192-L196 WeakPolarHBondContact O-CB 3.26Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 2.77Å
193	S	84.6	Confident	81.6	Confident	27 Å²	27	43.5 Å²	43.5	19%	0.189	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-38.4	173.4	-173.9	0	0	0	0	112.8	R189 N190 T191 G197 L232	R189-S193 VanDerWaalsContact O-CB 3.24Å; R189-S193 WeakPolarHBondContact O-CB 3.42Å; R189-S193 PolarHBondContact O-N 3.25Å; N190-S193 PolarHBondContact O-N 3.29Å; T191-S193 VanDerWaalsContact C-N 3.33Å; T191-S193 PolarHBondContact O-N 3.39Å; S193-G197 PolarHBondContact O-N 2.84Å; S193-L232 WeakPolarHBondContact OG-CD2 3.47Å
194	S	87.9	Confident	82.5	Confident	55 Å²	55	39.7 Å²	39.7	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-70	-42.2	178.7	-56.1	0	0	0	0	111.9	N190 T191 V192 G197 A198	N190-S194 WeakPolarHBondContact O-CB 3.28Å; N190-S194 PolarHBondContact O-N 3.3Å; N190-S194 PolarHBondContact O-OG 2.76Å; T191-S194 WeakPolarHBondContact O-CB 3.36Å; T191-S194 PolarHBondContact O-N 2.73Å; T191-S194 VanDerWaalsContact O-N 3.1Å; V192-S194 VanDerWaalsContact C-N 3.29Å; V192-S194 PolarHBondContact O-N 2.92Å; S194-G197 PolarHBondContact O-N 3.02Å; S194-A198 WeakPolarHBondContact O-CB 3.23Å; S194-A198 PolarHBondContact O-N 3.5Å
195	I	88.8	Confident	82.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-46.5	176.2	-65.2	168	0	0	0	110.5	M130 V131 F134 V142 T191 V192 G197 A198 W199	M130-I195 HydrophobicContact CE-CG2 4.05Å; M130-I195 HydrophobicContact CG-CD1 4.46Å; M130-I195 HydrophobicContact SD-CG2 4.33Å; V131-I195 HydrophobicContact CG2-CD1 4.33Å; F134-I195 HydrophobicContact CB-CD1 4.2Å; F134-I195 HydrophobicContact CD2-CG1 4.26Å; F134-I195 HydrophobicContact CG-CD1 4.43Å; F134-I195 HydrophobicContact CG-CG1 4.3Å; V142-I195 HydrophobicContact CG1-CG1 4.2Å; V142-I195 HydrophobicContact CG1-CG2 4.19Å; T191-I195 HydrophobicContact CG2-CD1 3.96Å; T191-I195 WeakPolarHBondContact O-CG1 3.23Å; T191-I195 PolarHBondContact O-N 3.48Å; V192-I195 PolarHBondContact O-N 2.8Å; I195-G197 VanDerWaalsContact C-N 3.34Å; I195-G197 PolarHBondContact O-N 3.38Å; I195-A198 PolarHBondContact O-N 3.46Å; I195-W199 WeakPolarHBondContact O-CB 3.11Å; I195-W199 PolarHBondContact O-N 3.14Å
196	L	88.4	Confident	83.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-38	176.7	-70.7	171.5	0	0	0	112.3	L159 V192 W199 L200 L219 L232	L159-L196 HydrophobicContact CD1-CD2 4.34Å; V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.27Å; V192-L196 WeakPolarHBondContact O-CB 3.26Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 2.77Å; L196-W199 HydrophobicContact CD2-CE3 4.13Å; L196-W199 PolarHBondContact O-N 3.48Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 3.12Å; L196-L219 HydrophobicContact CD1-CD1 4.06Å; L196-L219 HydrophobicContact CD2-CD1 3.99Å; L196-L232 HydrophobicContact CB-CD1 4.2Å; L196-L232 HydrophobicContact CB-CD2 3.86Å; L196-L232 HydrophobicContact CD1-CD2 4.24Å
197	G	86.3	Confident	84	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-51	173.6	0	0	0	0	0	112	S193 S194 I195 W199 L200 D201	S193-G197 PolarHBondContact O-N 2.84Å; S194-G197 PolarHBondContact O-N 3.02Å; I195-G197 VanDerWaalsContact C-N 3.34Å; I195-G197 PolarHBondContact O-N 3.38Å; G197-W199 PolarHBondContact O-N 2.88Å; G197-L200 PolarHBondContact O-N 2.89Å; G197-D201 WeakPolarHBondContact O-CB 3.12Å; G197-D201 PolarHBondContact O-N 3.31Å
198	A	87.1	Confident	83.9	Confident	28 Å²	28	33.3 Å²	33.3	23%	0.231	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-32.3	176.1	0	0	0	0	0	112.8	S194 I195 Q202	S194-A198 WeakPolarHBondContact O-CB 3.23Å; S194-A198 PolarHBondContact O-N 3.5Å; I195-A198 PolarHBondContact O-N 3.46Å; A198-Q202 VanDerWaalsContact O-CB 3.28Å; A198-Q202 WeakPolarHBondContact O-CB 3.41Å; A198-Q202 WeakPolarHBondContact O-CG 3.03Å; A198-Q202 PolarHBondContact O-N 3.48Å; A198-Q202 VanDerWaalsContact O-N 3.07Å
199	W	89.7	Confident	83.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-51.1	175.1	-163.9	0.2	0	0	0	111.6	L146 Y149 T155 V158 L159 L162 I195 L196 G197 D201 Y203 D206 F207	L146-W199 HydrophobicContact CD1-CB 4.13Å; L146-W199 HydrophobicContact CD1-CG 4.47Å; L146-W199 HydrophobicContact CD2-CB 4.27Å; L146-W199 HydrophobicContact CD2-CD2 3.89Å; L146-W199 HydrophobicContact CD2-CE3 4.45Å; L146-W199 HydrophobicContact CD2-CG 3.81Å; Y149-W199 HydrophobicContact CE1-CZ2 4.22Å; Y149-W199 AromaticContact CZ-CZ2 3.92Å; T155-W199 HydrophobicContact CG2-CH2 4.12Å; T155-W199 HydrophobicContact CG2-CZ2 3.67Å; V158-W199 HydrophobicContact CB-CH2 3.9Å; V158-W199 HydrophobicContact CB-CZ2 4.5Å; V158-W199 HydrophobicContact CG1-CH2 3.55Å; V158-W199 HydrophobicContact CG1-CZ2 4.18Å; V158-W199 HydrophobicContact CG1-CZ3 4.01Å; L159-W199 HydrophobicContact CB-CH2 4.16Å; L159-W199 HydrophobicContact CB-CZ3 4.29Å; L159-W199 HydrophobicContact CD1-CZ3 4.27Å; L162-W199 HydrophobicContact CD1-CE3 4.26Å; L162-W199 HydrophobicContact CD1-CZ3 3.85Å; I195-W199 WeakPolarHBondContact O-CB 3.11Å; I195-W199 PolarHBondContact O-N 3.14Å; L196-W199 HydrophobicContact CD2-CE3 4.13Å; L196-W199 PolarHBondContact O-N 3.48Å; G197-W199 PolarHBondContact O-N 2.88Å; W199-D201 PolarHBondContact O-N 3.34Å; W199-Y203 CarbonylContact O-C 3.51Å; W199-Y203 WeakPolarHBondContact O-CA 3.12Å; W199-Y203 PolarHBondContact O-N 3Å; W199-D206 PolarHBondContact NE1-OD2 3.08Å; W199-F207 AromaticContact CD1-CE2 3.94Å; W199-F207 HydrophobicContact CD2-CE2 4.22Å; W199-F207 AromaticContact CD2-CZ 3.96Å; W199-F207 HydrophobicContact CD2-CZ 3.96Å; W199-F207 HydrophobicContact CE3-CZ 4.26Å; W199-F207 HydrophobicContact CG-CE2 4.11Å; W199-F207 HydrophobicContact CG-CZ 4.25Å; W199-F207 AromaticContact NE1-CE2 4Å
200	L	86.2	Confident	83.3	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-41.2	176.6	-74	170.2	0	0	0	112.8	L196 G197 S204 F207 L216 L219 L232 A236 L239	L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 3.12Å; G197-L200 PolarHBondContact O-N 2.89Å; L200-S204 WeakPolarHBondContact O-CB 3.45Å; L200-S204 PolarHBondContact O-N 2.85Å; L200-F207 HydrophobicContact CD2-CD2 3.97Å; L200-F207 HydrophobicContact CD2-CE1 4.48Å; L200-F207 HydrophobicContact CD2-CE2 3.84Å; L200-F207 HydrophobicContact CD2-CG 4.37Å; L200-F207 HydrophobicContact CD2-CZ 4.11Å; L200-F207 HydrophobicContact CG-CE2 4.46Å; L200-L216 HydrophobicContact CD2-CD1 4.1Å; L200-L219 HydrophobicContact CD1-CD2 4.07Å; L200-L219 HydrophobicContact CD2-CD2 4.04Å; L200-L219 HydrophobicContact CG-CD2 4.21Å; L200-L232 HydrophobicContact CD1-CD1 3.79Å; L200-A236 HydrophobicContact CD1-CB 4.01Å; L200-L239 HydrophobicContact CD2-CD2 3.74Å
201	D	83.9	Confident	82.3	Confident	92 Å²	92	35.3 Å²	35.3	49%	0.492	20%	0.2	S	C	.	.	H	α-helix	trans	-78.2	-29.9	-174	-65.3	-25.6	0	0	0	113.1	G197 W199 R235	G197-D201 WeakPolarHBondContact O-CB 3.12Å; G197-D201 PolarHBondContact O-N 3.31Å; W199-D201 PolarHBondContact O-N 3.34Å; D201-R235 WeakPolarHBondContact OD1-CD 3.35Å; D201-R235 IonicContact OD1-NH1 3.84Å; D201-R235 IonicContact OD2-CZ 3.81Å; D201-R235 IonicContact OD2-NH1 2.68Å; D201-R235 PolarHBondContact OD2-NH1 3.01Å
202	Q	81.2	Confident	81.6	Confident	108 Å²	108	40 Å²	40	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-106.8	-20.6	-176.3	-60.1	-176.6	27.4	0	0	114.9	A198	A198-Q202 VanDerWaalsContact O-CB 3.28Å; A198-Q202 WeakPolarHBondContact O-CB 3.41Å; A198-Q202 WeakPolarHBondContact O-CG 3.03Å; A198-Q202 PolarHBondContact O-N 3.48Å; A198-Q202 VanDerWaalsContact O-N 3.07Å
203	Y	83.1	Confident	81.4	Confident	13 Å²	13	39.8 Å²	39.8	5%	0.051	22%	0.224	C	C	.	.			trans	-140.2	42.9	-176.8	-46.7	-91.3	0	0	0	111.2	T143 L146 C147 R150 W199 E205 D206 K506	T143-Y203 PolarHBondContact O-OH 2.87Å; L146-Y203 HydrophobicContact CB-CD2 3.96Å; L146-Y203 HydrophobicContact CB-CE2 3.52Å; L146-Y203 HydrophobicContact CD1-CE2 4.34Å; C147-Y203 HydrophobicContact CB-CE1 4.08Å; C147-Y203 WeakPolarHBondContact CB-OH 3.3Å; R150-Y203 VanDerWaalsContact NH2-CD1 3.34Å; W199-Y203 CarbonylContact O-C 3.51Å; W199-Y203 WeakPolarHBondContact O-CA 3.12Å; W199-Y203 PolarHBondContact O-N 3Å; Y203-E205 PolarHBondContact O-N 3.15Å; Y203-E205 VanDerWaalsContact O-N 3.15Å; Y203-D206 VanDerWaalsContact O-CB 3.24Å; Y203-D206 WeakPolarHBondContact O-CB 3.48Å; Y203-D206 VanDerWaalsContact O-CG 3.24Å; Y203-D206 PolarHBondContact O-N 2.84Å; Y203-K506 PolarHBondContact OH-NZ 3.19Å
204	S	83.5	Confident	81.3	Confident	32 Å²	32	43 Å²	43	22%	0.224	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-46.9	-40.6	176.4	49.4	0	0	0	0	113.7	L200 D206 F207 F243	L200-S204 WeakPolarHBondContact O-CB 3.45Å; L200-S204 PolarHBondContact O-N 2.85Å; S204-D206 PolarHBondContact O-N 2.96Å; S204-F207 WeakPolarHBondContact O-CB 3.48Å; S204-F207 PolarHBondContact O-N 3.19Å; S204-F243 WeakPolarHBondContact O-CZ 3.42Å
205	E	79.6	Confident	81.2	Confident	59 Å²	59	40.6 Å²	40.6	28%	0.276	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57.5	-19.6	179	-53.7	-68.3	118.6	0	0	113.2	Y203 F207 W208 R246 V303	Y203-E205 PolarHBondContact O-N 3.15Å; Y203-E205 VanDerWaalsContact O-N 3.15Å; E205-F207 PolarHBondContact O-N 3.19Å; E205-W208 VanDerWaalsContact O-CB 3.29Å; E205-W208 WeakPolarHBondContact O-CB 3.41Å; E205-W208 PolarHBondContact O-N 3.27Å; E205-R246 IonicContact OE1-CZ 3.37Å; E205-R246 IonicContact OE1-NH1 2.69Å; E205-R246 PolarHBondContact OE1-NH1 3.33Å; E205-R246 IonicContact OE1-NH2 3.16Å; E205-R246 IonicContact OE2-CZ 2.65Å; E205-R246 IonicContact OE2-NH1 3.79Å; E205-R246 PolarHBondContact OE2-NH1 3.41Å; E205-R246 IonicContact OE2-NH2 2.74Å; E205-R246 PolarHBondContact OE2-NH2 3.48Å; E205-V303 HydrophobicContact CG-CG2 4.32Å
206	D	82.9	Confident	81.1	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.037	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.4	-23	173.8	-67.8	-0.9	0	0	0	113.4	Y149 R150 T155 W199 Y203 S204	Y149-D206 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D206 PolarHBondContact OH-OD2 3.29Å; R150-D206 IonicContact CZ-OD1 3.76Å; R150-D206 IonicContact CZ-OD2 3.36Å; R150-D206 IonicContact NE-OD1 3.14Å; R150-D206 PolarHBondContact NE-OD1 3.04Å; R150-D206 IonicContact NE-OD2 2.77Å; R150-D206 IonicContact NH2-OD1 2.88Å; R150-D206 PolarHBondContact NH2-OD1 3.32Å; R150-D206 IonicContact NH2-OD2 3.31Å; R150-D206 PolarHBondContact NH2-OD2 2.84Å; T155-D206 HydrophobicContact CG2-CB 4.1Å; T155-D206 WeakPolarHBondContact CG2-O 3.45Å; T155-D206 PolarHBondContact OG1-O 3.14Å; W199-D206 PolarHBondContact NE1-OD2 3.08Å; Y203-D206 VanDerWaalsContact O-CB 3.24Å; Y203-D206 WeakPolarHBondContact O-CB 3.48Å; Y203-D206 VanDerWaalsContact O-CG 3.24Å; Y203-D206 PolarHBondContact O-N 2.84Å; S204-D206 PolarHBondContact O-N 2.96Å
207	F	83.9	Confident	80.9	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-96.5	-4.4	179	-61.3	-88.7	0	0	0	111.9	W199 L200 S204 E205 N209 C215 L216 L219 F243	W199-F207 AromaticContact CD1-CE2 3.94Å; W199-F207 HydrophobicContact CD2-CE2 4.22Å; W199-F207 AromaticContact CD2-CZ 3.96Å; W199-F207 HydrophobicContact CD2-CZ 3.96Å; W199-F207 HydrophobicContact CE3-CZ 4.26Å; W199-F207 HydrophobicContact CG-CE2 4.11Å; W199-F207 HydrophobicContact CG-CZ 4.25Å; W199-F207 AromaticContact NE1-CE2 4Å; L200-F207 HydrophobicContact CD2-CD2 3.97Å; L200-F207 HydrophobicContact CD2-CE1 4.48Å; L200-F207 HydrophobicContact CD2-CE2 3.84Å; L200-F207 HydrophobicContact CD2-CG 4.37Å; L200-F207 HydrophobicContact CD2-CZ 4.11Å; L200-F207 HydrophobicContact CG-CE2 4.46Å; S204-F207 WeakPolarHBondContact O-CB 3.48Å; S204-F207 PolarHBondContact O-N 3.19Å; E205-F207 PolarHBondContact O-N 3.19Å; F207-N209 VanDerWaalsContact C-N 3.28Å; F207-N209 PolarHBondContact O-N 3.2Å; F207-C215 HydrophobicContact CD1-CB 4.02Å; F207-C215 HydrophobicContact CE1-CB 4.37Å; F207-L216 HydrophobicContact CB-CB 4.21Å; F207-L216 HydrophobicContact CB-CD1 4.47Å; F207-L216 HydrophobicContact CB-CD2 4.45Å; F207-L216 HydrophobicContact CD1-CB 4.22Å; F207-L216 HydrophobicContact CD1-CD1 4.22Å; F207-L216 HydrophobicContact CG-CD1 4.44Å; F207-L219 HydrophobicContact CE1-CD2 3.83Å; F207-L219 HydrophobicContact CZ-CD2 4.12Å; F207-F243 HydrophobicContact CB-CE2 4.02Å
208	W	75.5	Confident	80.9	Confident	56 Å²	56	47.4 Å²	47.4	21%	0.212	25%	0.25	C	S	.	.			trans	-79.8	70.4	178.1	-177.9	-99.5	0	0	0	111.3	E205 P210 Y213 F243 R246 Q247	E205-W208 VanDerWaalsContact O-CB 3.29Å; E205-W208 WeakPolarHBondContact O-CB 3.41Å; E205-W208 PolarHBondContact O-N 3.27Å; W208-P210 HydrophobicContact CZ2-CG 4.48Å; W208-P210 VanDerWaalsContact O-CD 3.26Å; W208-P210 WeakPolarHBondContact O-CD 3.44Å; W208-Y213 HydrophobicContact CD2-CE1 4.28Å; W208-Y213 AromaticContact CE3-CE1 3.68Å; W208-Y213 HydrophobicContact CE3-CE1 3.68Å; W208-Y213 AromaticContact CZ3-CE1 3.95Å; W208-Y213 HydrophobicContact CZ3-CE1 3.95Å; W208-Y213 VanDerWaalsContact CZ3-OH 3.25Å; W208-Y213 WeakPolarHBondContact CZ3-OH 3.41Å; W208-F243 HydrophobicContact CB-CE2 4.28Å; W208-F243 HydrophobicContact CB-CZ 4.13Å; W208-F243 HydrophobicContact CE3-CB 3.97Å; W208-F243 AromaticContact CE3-CD1 3.53Å; W208-F243 HydrophobicContact CE3-CD1 3.53Å; W208-F243 AromaticContact CE3-CD2 3.96Å; W208-F243 HydrophobicContact CE3-CD2 3.96Å; W208-F243 AromaticContact CE3-CE1 3.86Å; W208-F243 HydrophobicContact CE3-CE1 3.86Å; W208-F243 HydrophobicContact CE3-CE2 4.27Å; W208-F243 AromaticContact CE3-CG 3.57Å; W208-F243 HydrophobicContact CE3-CG 3.57Å; W208-F243 HydrophobicContact CE3-CZ 4.21Å; W208-F243 HydrophobicContact CZ3-CB 3.72Å; W208-F243 AromaticContact CZ3-CD1 3.84Å; W208-F243 HydrophobicContact CZ3-CD1 3.84Å; W208-F243 AromaticContact CZ3-CG 3.83Å; W208-F243 HydrophobicContact CZ3-CG 3.83Å; W208-F243 WeakPolarHBondContact CZ3-O 3.47Å; W208-R246 HydrophobicContact CH2-CB 3.87Å; W208-R246 HydrophobicContact CH2-CG 3.68Å; W208-R246 HydrophobicContact CZ2-CG 4.31Å; W208-R246 HydrophobicContact CZ3-CB 4.01Å; W208-R246 HydrophobicContact CZ3-CG 4.11Å; W208-Q247 HydrophobicContact CH2-CB 4.27Å
209	N	74.1	Confident	80.9	Confident	87 Å²	87	46 Å²	46	47%	0.465	24%	0.239	S	C	.	.			trans	-112.9	74.2	170.6	-75.7	-27.8	0	0	0	110.3	F207 Y213	F207-N209 VanDerWaalsContact C-N 3.28Å; F207-N209 PolarHBondContact O-N 3.2Å; N209-Y213 WeakPolarHBondContact O-CA 3.39Å; N209-Y213 PolarHBondContact O-N 2.71Å
210	P	70.4	Confident	80.7	Confident	60 Å²	60	47.1 Å²	47.1	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	153.3	174.5	28.3	-34.9	0	0	0	111.5	W208 Y213	W208-P210 HydrophobicContact CZ2-CG 4.48Å; W208-P210 VanDerWaalsContact O-CD 3.26Å; W208-P210 WeakPolarHBondContact O-CD 3.44Å; P210-Y213 HydrophobicContact CB-CE1 4.26Å; P210-Y213 HydrophobicContact CB-CE2 4.43Å
211	P	60.6	Low	80.7	Confident	93 Å²	93	50 Å²	50	60%	0.604	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.7	-14.1	-1.8	34.3	-34.9	0	0	0	114	Y213	P211-Y213 WeakPolarHBondContact O-CD2 3.4Å
212	N	70.4	Confident	80.7	Confident	106 Å²	106	46.5 Å²	46.5	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.5	-167.5	-71.1	-2.9	0	0	0	114.8	E214 H217	N212-E214 HydrophobicContact CB-CG 4.02Å; N212-E214 PolarHBondContact O-N 2.72Å; N212-H217 PolarHBondContact O-CD2 3.37Å; N212-H217 VanDerWaalsContact O-CD2 3.29Å
213	Y	81.5	Confident	80.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.			trans	46.1	39.1	-179.4	-59	-78.2	0	0	0	113.8	W208 N209 P210 P211 C215 L216 H217 L240 F243 H244 Q247	W208-Y213 HydrophobicContact CD2-CE1 4.28Å; W208-Y213 AromaticContact CE3-CE1 3.68Å; W208-Y213 HydrophobicContact CE3-CE1 3.68Å; W208-Y213 AromaticContact CZ3-CE1 3.95Å; W208-Y213 HydrophobicContact CZ3-CE1 3.95Å; W208-Y213 VanDerWaalsContact CZ3-OH 3.25Å; W208-Y213 WeakPolarHBondContact CZ3-OH 3.41Å; N209-Y213 WeakPolarHBondContact O-CA 3.39Å; N209-Y213 PolarHBondContact O-N 2.71Å; P210-Y213 HydrophobicContact CB-CE1 4.26Å; P210-Y213 HydrophobicContact CB-CE2 4.43Å; P211-Y213 WeakPolarHBondContact O-CD2 3.4Å; Y213-C215 PolarHBondContact O-N 2.65Å; Y213-C215 VanDerWaalsContact O-N 3.15Å; Y213-L216 WeakPolarHBondContact O-CA 3.37Å; Y213-L216 WeakPolarHBondContact O-CB 3.49Å; Y213-L216 PolarHBondContact O-N 2.72Å; Y213-H217 PolarHBondContact O-N 2.87Å; Y213-H217 VanDerWaalsContact O-N 3.08Å; Y213-L240 HydrophobicContact CD2-CD1 4.29Å; Y213-L240 HydrophobicContact CG-CD1 4.26Å; Y213-F243 HydrophobicContact CD1-CB 4.49Å; Y213-F243 AromaticContact CD1-CD2 3.77Å; Y213-F243 HydrophobicContact CD1-CD2 3.77Å; Y213-F243 HydrophobicContact CD1-CE2 4.46Å; Y213-F243 HydrophobicContact CE1-CB 3.88Å; Y213-F243 AromaticContact CE1-CD2 3.74Å; Y213-F243 HydrophobicContact CE1-CD2 3.74Å; Y213-F243 HydrophobicContact CE1-CG 4.11Å; Y213-H244 AromaticContact CD2-NE2 3.95Å; Y213-H244 AromaticContact CE2-CD2 3.72Å; Y213-Q247 PolarHBondContact OH-OE1 3.31Å
214	E	82.8	Confident	80.9	Confident	94 Å²	94	46.8 Å²	46.8	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-50.7	-49	-162.7	-67.3	-167.3	175.4	0	0	114	K156 N212 L216 H217 Q218	K156-E214 IonicContact NZ-OE2 2.69Å; K156-E214 PolarHBondContact NZ-OE2 2.83Å; N212-E214 HydrophobicContact CB-CG 4.02Å; N212-E214 PolarHBondContact O-N 2.72Å; E214-L216 PolarHBondContact O-N 3.12Å; E214-H217 PolarHBondContact O-N 2.83Å; E214-Q218 VanDerWaalsContact O-CB 3.3Å; E214-Q218 WeakPolarHBondContact O-CB 3.23Å; E214-Q218 PolarHBondContact O-N 2.85Å
215	C	85.1	Confident	80.8	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.034	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-32.1	-179	-60.2	0	0	0	0	112.4	T155 L159 F207 Y213 L219	T155-C215 HydrophobicContact CG2-CB 4.25Å; L159-C215 HydrophobicContact CD2-CB 4.13Å; L159-C215 WeakPolarHBondContact CD2-O 3.3Å; F207-C215 HydrophobicContact CD1-CB 4.02Å; F207-C215 HydrophobicContact CE1-CB 4.37Å; Y213-C215 PolarHBondContact O-N 2.65Å; Y213-C215 VanDerWaalsContact O-N 3.15Å; C215-L219 VanDerWaalsContact O-CB 3.24Å; C215-L219 WeakPolarHBondContact O-CB 3.35Å; C215-L219 PolarHBondContact O-N 3.18Å
216	L	86.1	Confident	80.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-76.8	-40.6	178.5	-167.7	51.9	0	0	0	111.2	L200 F207 Y213 E214 L219 L220 A236 L239 L240 F243	L200-L216 HydrophobicContact CD2-CD1 4.1Å; F207-L216 HydrophobicContact CB-CB 4.21Å; F207-L216 HydrophobicContact CB-CD1 4.47Å; F207-L216 HydrophobicContact CB-CD2 4.45Å; F207-L216 HydrophobicContact CD1-CB 4.22Å; F207-L216 HydrophobicContact CD1-CD1 4.22Å; F207-L216 HydrophobicContact CG-CD1 4.44Å; Y213-L216 WeakPolarHBondContact O-CA 3.37Å; Y213-L216 WeakPolarHBondContact O-CB 3.49Å; Y213-L216 PolarHBondContact O-N 2.72Å; E214-L216 PolarHBondContact O-N 3.12Å; L216-L219 PolarHBondContact O-N 3.16Å; L216-L220 HydrophobicContact CG-CD1 4.39Å; L216-L220 WeakPolarHBondContact O-CB 3.22Å; L216-L220 VanDerWaalsContact O-CG 3.27Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.17Å; L216-A236 HydrophobicContact CD1-CB 4.29Å; L216-L239 HydrophobicContact CD1-CD2 4.35Å; L216-L239 HydrophobicContact CD2-CD2 4.32Å; L216-L239 HydrophobicContact CD2-CG 4.36Å; L216-L240 HydrophobicContact CD2-CB 3.86Å; L216-L240 HydrophobicContact CD2-CD1 3.92Å; L216-L240 HydrophobicContact CD2-CG 4.5Å; L216-L240 HydrophobicContact CG-CB 4.44Å; L216-L240 HydrophobicContact CG-CD1 4.47Å; L216-F243 HydrophobicContact CD2-CD2 3.78Å; L216-F243 HydrophobicContact CD2-CE2 3.96Å
217	H	85.4	Confident	80.5	Confident	89 Å²	89	51.7 Å²	51.7	41%	0.412	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-40.5	173	-81	-81.7	0	0	0	112.5	N212 Y213 E214 L220 A221	N212-H217 PolarHBondContact O-CD2 3.37Å; N212-H217 VanDerWaalsContact O-CD2 3.29Å; Y213-H217 PolarHBondContact O-N 2.87Å; Y213-H217 VanDerWaalsContact O-N 3.08Å; E214-H217 PolarHBondContact O-N 2.83Å; H217-L220 PolarHBondContact O-N 3.22Å; H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.97Å
218	Q	86.6	Confident	80.1	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.271	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-46.1	174.2	-178.6	178.5	-8.9	0	0	111.5	L159 D160 L163 E214 A221 Y222	L159-Q218 HydrophobicContact CD2-CB 4.35Å; L159-Q218 HydrophobicContact CD2-CG 4.26Å; D160-Q218 PolarHBondContact OD1-NE2 2.88Å; L163-Q218 HydrophobicContact CD1-CG 4.42Å; E214-Q218 VanDerWaalsContact O-CB 3.3Å; E214-Q218 WeakPolarHBondContact O-CB 3.23Å; E214-Q218 PolarHBondContact O-N 2.85Å; Q218-A221 PolarHBondContact O-N 2.95Å; Q218-Y222 PolarHBondContact O-N 3.34Å; Q218-Y222 VanDerWaalsContact O-N 3.13Å
219	L	86.4	Confident	80	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-43.5	174.8	178	58.7	0	0	0	111.6	L159 L196 L200 F207 C215 L216 Y222 L223	L159-L219 HydrophobicContact CD1-CD1 4.26Å; L159-L219 HydrophobicContact CD2-CB 4.46Å; L196-L219 HydrophobicContact CD1-CD1 4.06Å; L196-L219 HydrophobicContact CD2-CD1 3.99Å; L200-L219 HydrophobicContact CD1-CD2 4.07Å; L200-L219 HydrophobicContact CD2-CD2 4.04Å; L200-L219 HydrophobicContact CG-CD2 4.21Å; F207-L219 HydrophobicContact CE1-CD2 3.83Å; F207-L219 HydrophobicContact CZ-CD2 4.12Å; C215-L219 VanDerWaalsContact O-CB 3.24Å; C215-L219 WeakPolarHBondContact O-CB 3.35Å; C215-L219 PolarHBondContact O-N 3.18Å; L216-L219 PolarHBondContact O-N 3.16Å; L219-Y222 PolarHBondContact O-N 3.19Å; L219-L223 HydrophobicContact CD1-CD1 3.91Å; L219-L223 HydrophobicContact CD1-CD2 4.47Å; L219-L223 HydrophobicContact CD1-CG 3.95Å; L219-L223 HydrophobicContact CG-CD1 3.83Å; L219-L223 HydrophobicContact CG-CG 4.3Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.24Å; L219-L223 WeakPolarHBondContact O-CG 3.37Å; L219-L223 PolarHBondContact O-N 3.47Å
220	L	85.5	Confident	80.6	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-44.2	177.1	-81	168	0	0	0	112.7	L216 H217 Y222 L223 H224 A236 R237 L240	L216-L220 HydrophobicContact CG-CD1 4.39Å; L216-L220 WeakPolarHBondContact O-CB 3.22Å; L216-L220 VanDerWaalsContact O-CG 3.27Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.17Å; H217-L220 PolarHBondContact O-N 3.22Å; L220-Y222 VanDerWaalsContact C-N 3.33Å; L220-Y222 PolarHBondContact O-N 2.93Å; L220-L223 PolarHBondContact O-N 3.07Å; L220-H224 WeakPolarHBondContact O-CB 3.32Å; L220-H224 PolarHBondContact O-N 3.11Å; L220-A236 HydrophobicContact CD2-CB 3.56Å; L220-A236 HydrophobicContact CG-CB 4.06Å; L220-R237 HydrophobicContact CD2-CB 4.45Å; L220-R237 HydrophobicContact CD2-CG 3.52Å; L220-L240 HydrophobicContact CD1-CB 4.38Å; L220-L240 HydrophobicContact CD1-CD2 3.79Å
221	A	85.9	Confident	81.2	Confident	66 Å²	66	55 Å²	55	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-42.6	176.6	0	0	0	0	0	111.9	H217 Q218 L225	H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.97Å; Q218-A221 PolarHBondContact O-N 2.95Å; A221-L225 PolarHBondContact O-N 2.7Å
222	Y	84.4	Confident	82.4	Confident	20 Å²	20	50.7 Å²	50.7	8%	0.078	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-43.8	175.1	171.9	-89.5	0	0	0	112.7	L163 Y166 Q218 L219 L220 H224 L225 H226 F227	L163-Y222 HydrophobicContact CB-CD2 4.3Å; L163-Y222 HydrophobicContact CB-CE2 4.26Å; L163-Y222 HydrophobicContact CD1-CD2 4.13Å; L163-Y222 HydrophobicContact CD1-CG 3.98Å; L163-Y222 HydrophobicContact CD2-CD1 3.58Å; L163-Y222 HydrophobicContact CD2-CD2 3.87Å; L163-Y222 HydrophobicContact CD2-CE1 3.55Å; L163-Y222 HydrophobicContact CD2-CE2 3.84Å; L163-Y222 HydrophobicContact CD2-CG 3.73Å; L163-Y222 HydrophobicContact CG-CD2 4.3Å; L163-Y222 HydrophobicContact CG-CE2 4.48Å; L163-Y222 HydrophobicContact CG-CG 4.37Å; Y166-Y222 WeakPolarHBondContact CB-OH 3.25Å; Y166-Y222 HydrophobicContact CD1-CE2 4.27Å; Y166-Y222 AromaticContact CD1-CZ 3.97Å; Y166-Y222 WeakPolarHBondContact CD1-OH 3.29Å; Q218-Y222 PolarHBondContact O-N 3.34Å; Q218-Y222 VanDerWaalsContact O-N 3.13Å; L219-Y222 PolarHBondContact O-N 3.19Å; L220-Y222 VanDerWaalsContact C-N 3.33Å; L220-Y222 PolarHBondContact O-N 2.93Å; Y222-H224 VanDerWaalsContact C-N 3.33Å; Y222-H224 PolarHBondContact O-N 2.86Å; Y222-L225 PolarHBondContact O-N 3.11Å; Y222-H226 AromaticContact CD2-CD2 3.43Å; Y222-H226 VanDerWaalsContact CD2-CD2 3.43Å; Y222-H226 WeakPolarHBondContact CD2-CD2 3.46Å; Y222-H226 AromaticContact CD2-NE2 3.88Å; Y222-H226 AromaticContact CE2-CD2 3.37Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.42Å; Y222-H226 AromaticContact CE2-NE2 3.73Å; Y222-H226 AromaticContact CZ-CD2 3.96Å; Y222-H226 PolarHBondContact O-CD2 3.32Å; Y222-H226 PolarHBondContact O-N 2.95Å; Y222-F227 HydrophobicContact CE1-CD2 4.27Å; Y222-F227 AromaticContact CE1-CE2 3.89Å; Y222-F227 HydrophobicContact CE1-CE2 3.89Å
223	L	84.8	Confident	83.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-35.9	178.1	-70.5	173.4	0	0	0	111.9	L219 L220 L225 F227 L232 E233 A236	L219-L223 HydrophobicContact CD1-CD1 3.91Å; L219-L223 HydrophobicContact CD1-CD2 4.47Å; L219-L223 HydrophobicContact CD1-CG 3.95Å; L219-L223 HydrophobicContact CG-CD1 3.83Å; L219-L223 HydrophobicContact CG-CG 4.3Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.24Å; L219-L223 WeakPolarHBondContact O-CG 3.37Å; L219-L223 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 3.07Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.44Å; L223-F227 HydrophobicContact CD2-CB 4.18Å; L223-F227 HydrophobicContact CD2-CD2 3.87Å; L223-F227 HydrophobicContact CD2-CE2 4.5Å; L223-F227 HydrophobicContact CD2-CG 4.16Å; L223-F227 CarbonylContact O-C 3.59Å; L223-F227 WeakPolarHBondContact O-CA 3.47Å; L223-F227 WeakPolarHBondContact O-CB 3.47Å; L223-F227 PolarHBondContact O-N 3.36Å; L223-L232 HydrophobicContact CD1-CD2 4.45Å; L223-L232 HydrophobicContact CD1-CG 3.94Å; L223-L232 HydrophobicContact CD2-CD2 3.51Å; L223-L232 HydrophobicContact CD2-CG 3.83Å; L223-E233 HydrophobicContact CB-CB 4.21Å; L223-E233 HydrophobicContact CB-CG 4.04Å; L223-A236 HydrophobicContact CD1-CB 4.01Å
224	H	82.9	Confident	83.3	Confident	126 Å²	126	52.4 Å²	52.4	58%	0.583	28%	0.282	S	S	*	.	H	α-helix	trans	-65.7	-34.9	174.8	-164.2	72.3	0	0	0	112.2	L220 Y222 E233	L220-H224 WeakPolarHBondContact O-CB 3.32Å; L220-H224 PolarHBondContact O-N 3.11Å; Y222-H224 VanDerWaalsContact C-N 3.33Å; Y222-H224 PolarHBondContact O-N 2.86Å; H224-E233 IonicContact ND1-OE1 3.59Å
225	L	81.6	Confident	83.4	Confident	131 Å²	131	52.4 Å²	52.4	69%	0.686	28%	0.279	S	S	*	.	H	α-helix	trans	-76.8	-40.5	178.5	-176	61.9	0	0	0	113.6	A221 Y222 L223	A221-L225 PolarHBondContact O-N 2.7Å; Y222-L225 PolarHBondContact O-N 3.11Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.44Å
226	H	76.6	Confident	83.5	Confident	51 Å²	51	52.2 Å²	52.2	24%	0.236	28%	0.277	C	S	.	.	H	α-helix	trans	-109.8	-16	-171.2	-63.8	-81.2	0	0	0	115.1	Q170 Y222	Q170-H226 PolarHBondContact OE1-CE1 3.46Å; Q170-H226 VanDerWaalsContact OE1-CE1 3.27Å; Q170-H226 PolarHBondContact OE1-ND1 3.45Å; Y222-H226 AromaticContact CD2-CD2 3.43Å; Y222-H226 VanDerWaalsContact CD2-CD2 3.43Å; Y222-H226 WeakPolarHBondContact CD2-CD2 3.46Å; Y222-H226 AromaticContact CD2-NE2 3.88Å; Y222-H226 AromaticContact CE2-CD2 3.37Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.42Å; Y222-H226 AromaticContact CE2-NE2 3.73Å; Y222-H226 AromaticContact CZ-CD2 3.96Å; Y222-H226 PolarHBondContact O-CD2 3.32Å; Y222-H226 PolarHBondContact O-N 2.95Å
227	F	79.4	Confident	83.5	Confident	19 Å²	19	57.4 Å²	57.4	8%	0.083	30%	0.297	C	S	.	.	S	Bend	trans	-140.5	42.5	-174.5	-63.6	-99.4	0	0	0	114	R189 Y222 L223 G229 S230	R189-F227 HydrophobicContact CG-CD1 4.4Å; R189-F227 HydrophobicContact CG-CE1 3.38Å; R189-F227 HydrophobicContact CG-CE2 4.36Å; R189-F227 HydrophobicContact CG-CZ 3.36Å; Y222-F227 HydrophobicContact CE1-CD2 4.27Å; Y222-F227 AromaticContact CE1-CE2 3.89Å; Y222-F227 HydrophobicContact CE1-CE2 3.89Å; L223-F227 HydrophobicContact CD2-CB 4.18Å; L223-F227 HydrophobicContact CD2-CD2 3.87Å; L223-F227 HydrophobicContact CD2-CE2 4.5Å; L223-F227 HydrophobicContact CD2-CG 4.16Å; L223-F227 CarbonylContact O-C 3.59Å; L223-F227 WeakPolarHBondContact O-CA 3.47Å; L223-F227 WeakPolarHBondContact O-CB 3.47Å; L223-F227 PolarHBondContact O-N 3.36Å; F227-G229 PolarHBondContact O-N 2.69Å; F227-S230 WeakPolarHBondContact O-CB 3.45Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 VanDerWaalsContact O-N 3.16Å; F227-S230 PolarHBondContact O-OG 3.36Å
228	P	76.4	Confident	83.6	Confident	94 Å²	94	58.1 Å²	58.1	61%	0.61	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	131.4	-174	25.6	-35.4	0	0	0	112.4	S230	P228-S230 VanDerWaalsContact C-N 3.3Å; P228-S230 PolarHBondContact O-N 3.42Å
229	G	74.3	Confident	83.5	Confident	54 Å²	54	56.6 Å²	56.6	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.1	179.6	0	0	0	0	0	115.3	F227 E233	F227-G229 PolarHBondContact O-N 2.69Å; G229-E233 PolarHBondContact N-OE2 3.27Å
230	S	85.4	Confident	83.4	Confident	27 Å²	27	57.7 Å²	57.7	19%	0.189	30%	0.303	C	S	.	.			trans	-68.7	156.9	-176.5	66.6	0	0	0	0	114.2	F227 P228 L232 E233 R234	F227-S230 WeakPolarHBondContact O-CB 3.45Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 VanDerWaalsContact O-N 3.16Å; F227-S230 PolarHBondContact O-OG 3.36Å; P228-S230 VanDerWaalsContact C-N 3.3Å; P228-S230 PolarHBondContact O-N 3.42Å; S230-L232 PolarHBondContact O-N 2.84Å; S230-E233 PolarHBondContact O-N 2.96Å; S230-E233 PolarHBondContact OG-N 3.47Å; S230-R234 PolarHBondContact O-N 2.88Å
231	D	83.1	Confident	83.4	Confident	98 Å²	98	59.4 Å²	59.4	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-16.3	173.6	-58.7	-54.3	0	0	0	113.5	R234 R235	D231-R234 IonicContact OD1-CZ 3.59Å; D231-R234 IonicContact OD1-NE 3.75Å; D231-R234 IonicContact OD1-NH2 3.35Å; D231-R234 PolarHBondContact OD1-NH2 3.12Å; D231-R235 WeakPolarHBondContact O-CB 3.31Å; D231-R235 WeakPolarHBondContact O-CG 3.42Å; D231-R235 PolarHBondContact O-N 3.11Å; D231-R235 VanDerWaalsContact O-N 3.08Å; D231-R235 PolarHBondContact O-NE 3.47Å; D231-R235 VanDerWaalsContact O-NE 3.1Å
232	L	84.9	Confident	83.3	Confident	3 Å²	3	61 Å²	61	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-76	-46	171.3	-176.7	60.4	0	0	0	110.8	S193 L196 L200 L223 S230 R234 R235 A236	S193-L232 WeakPolarHBondContact OG-CD2 3.47Å; L196-L232 HydrophobicContact CB-CD1 4.2Å; L196-L232 HydrophobicContact CB-CD2 3.86Å; L196-L232 HydrophobicContact CD1-CD2 4.24Å; L200-L232 HydrophobicContact CD1-CD1 3.79Å; L223-L232 HydrophobicContact CD1-CD2 4.45Å; L223-L232 HydrophobicContact CD1-CG 3.94Å; L223-L232 HydrophobicContact CD2-CD2 3.51Å; L223-L232 HydrophobicContact CD2-CG 3.83Å; S230-L232 PolarHBondContact O-N 2.84Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.36Å; L232-R235 PolarHBondContact O-N 3.37Å; L232-A236 PolarHBondContact O-N 3.29Å
233	E	85.9	Confident	83.2	Confident	11 Å²	11	60.1 Å²	60.1	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-40.9	172.6	-160.6	-148.9	144.8	0	0	111	L223 H224 G229 S230 A236 R237	L223-E233 HydrophobicContact CB-CB 4.21Å; L223-E233 HydrophobicContact CB-CG 4.04Å; H224-E233 IonicContact ND1-OE1 3.59Å; G229-E233 PolarHBondContact N-OE2 3.27Å; S230-E233 PolarHBondContact O-N 2.96Å; S230-E233 PolarHBondContact OG-N 3.47Å; E233-A236 PolarHBondContact O-N 2.88Å; E233-R237 WeakPolarHBondContact O-CB 3.49Å; E233-R237 WeakPolarHBondContact O-CG 3.5Å; E233-R237 PolarHBondContact O-N 2.91Å; E233-R237 IonicContact OE1-CZ 3.2Å; E233-R237 IonicContact OE1-NE 2.77Å; E233-R237 PolarHBondContact OE1-NE 3.43Å; E233-R237 IonicContact OE1-NH2 2.79Å; E233-R237 PolarHBondContact OE1-NH2 3.07Å; E233-R237 IonicContact OE2-NH2 3.22Å; E233-R237 PolarHBondContact OE2-NH2 3.34Å
234	R	85.3	Confident	83.2	Confident	131 Å²	131	63.4 Å²	63.4	49%	0.494	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.4	-161.9	-173.2	-52.4	-168.4	8.7	112.2	S230 D231 L232 R237 N238	S230-R234 PolarHBondContact O-N 2.88Å; D231-R234 IonicContact OD1-CZ 3.59Å; D231-R234 IonicContact OD1-NE 3.75Å; D231-R234 IonicContact OD1-NH2 3.35Å; D231-R234 PolarHBondContact OD1-NH2 3.12Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.36Å; R234-R237 PolarHBondContact O-N 3.17Å; R234-N238 WeakPolarHBondContact O-CB 3.02Å; R234-N238 PolarHBondContact O-N 3.41Å; R234-N238 PolarHBondContact O-OD1 2.73Å
235	R	86.3	Confident	83	Confident	95 Å²	95	65.8 Å²	65.8	36%	0.358	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-48.4	174.4	-90.1	177.6	-80.1	-174.6	-5.1	112	D201 D231 L232 R237 N238 L239	D201-R235 WeakPolarHBondContact OD1-CD 3.35Å; D201-R235 IonicContact OD1-NH1 3.84Å; D201-R235 IonicContact OD2-CZ 3.81Å; D201-R235 IonicContact OD2-NH1 2.68Å; D201-R235 PolarHBondContact OD2-NH1 3.01Å; D231-R235 WeakPolarHBondContact O-CB 3.31Å; D231-R235 WeakPolarHBondContact O-CG 3.42Å; D231-R235 PolarHBondContact O-N 3.11Å; D231-R235 VanDerWaalsContact O-N 3.08Å; D231-R235 PolarHBondContact O-NE 3.47Å; D231-R235 VanDerWaalsContact O-NE 3.1Å; L232-R235 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact C-N 3.34Å; R235-R237 PolarHBondContact O-N 3.16Å; R235-N238 PolarHBondContact O-N 3.37Å; R235-L239 PolarHBondContact O-N 2.71Å
236	A	86.7	Confident	82.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-40.9	178.2	0	0	0	0	0	112.4	L200 L216 L220 L223 L232 E233 L239 L240	L200-A236 HydrophobicContact CD1-CB 4.01Å; L216-A236 HydrophobicContact CD1-CB 4.29Å; L220-A236 HydrophobicContact CD2-CB 3.56Å; L220-A236 HydrophobicContact CG-CB 4.06Å; L223-A236 HydrophobicContact CD1-CB 4.01Å; L232-A236 PolarHBondContact O-N 3.29Å; E233-A236 PolarHBondContact O-N 2.88Å; A236-L239 PolarHBondContact O-N 3.04Å; A236-L240 PolarHBondContact O-N 2.77Å; A236-L240 VanDerWaalsContact O-N 3.1Å
237	R	85.8	Confident	82.7	Confident	110 Å²	110	64.8 Å²	64.8	42%	0.415	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-42	175.1	-75.4	-166.9	-98.7	107.8	-10.4	112.5	L220 E233 R234 R235 L239 L240 A241	L220-R237 HydrophobicContact CD2-CB 4.45Å; L220-R237 HydrophobicContact CD2-CG 3.52Å; E233-R237 WeakPolarHBondContact O-CB 3.49Å; E233-R237 WeakPolarHBondContact O-CG 3.5Å; E233-R237 PolarHBondContact O-N 2.91Å; E233-R237 IonicContact OE1-CZ 3.2Å; E233-R237 IonicContact OE1-NE 2.77Å; E233-R237 PolarHBondContact OE1-NE 3.43Å; E233-R237 IonicContact OE1-NH2 2.79Å; E233-R237 PolarHBondContact OE1-NH2 3.07Å; E233-R237 IonicContact OE2-NH2 3.22Å; E233-R237 PolarHBondContact OE2-NH2 3.34Å; R234-R237 PolarHBondContact O-N 3.17Å; R235-R237 VanDerWaalsContact C-N 3.34Å; R235-R237 PolarHBondContact O-N 3.16Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.47Å; R237-L240 PolarHBondContact O-N 3.17Å; R237-A241 PolarHBondContact O-N 3.44Å
238	N	86.7	Confident	81.9	Confident	104 Å²	104	71.5 Å²	71.5	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-63.9	-38.1	175.7	-72.2	-1.2	0	0	0	111.8	R234 R235 A241 H242	R234-N238 WeakPolarHBondContact O-CB 3.02Å; R234-N238 PolarHBondContact O-N 3.41Å; R234-N238 PolarHBondContact O-OD1 2.73Å; R235-N238 PolarHBondContact O-N 3.37Å; N238-A241 PolarHBondContact O-N 2.73Å; N238-H242 PolarHBondContact O-N 2.91Å
239	L	85.3	Confident	80.9	Confident	25 Å²	25	71.7 Å²	71.7	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-45.1	176.6	-172.8	66.5	0	0	0	111.8	L200 L216 R235 A236 R237 A241 H242 F243	L200-L239 HydrophobicContact CD2-CD2 3.74Å; L216-L239 HydrophobicContact CD1-CD2 4.35Å; L216-L239 HydrophobicContact CD2-CD2 4.32Å; L216-L239 HydrophobicContact CD2-CG 4.36Å; R235-L239 PolarHBondContact O-N 2.71Å; A236-L239 PolarHBondContact O-N 3.04Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.47Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3.5Å; L239-H242 WeakPolarHBondContact O-CB 3.47Å; L239-H242 PolarHBondContact O-N 2.61Å; L239-F243 HydrophobicContact CD1-CD1 4.15Å; L239-F243 HydrophobicContact CD1-CE1 3.59Å; L239-F243 HydrophobicContact CD1-CE2 4.4Å; L239-F243 HydrophobicContact CD1-CZ 3.74Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 HydrophobicContact CD2-CZ 3.91Å; L239-F243 HydrophobicContact CG-CD1 4.37Å; L239-F243 HydrophobicContact CG-CD2 4.31Å; L239-F243 HydrophobicContact CG-CE1 3.99Å; L239-F243 HydrophobicContact CG-CE2 3.9Å; L239-F243 HydrophobicContact CG-CZ 3.74Å; L239-F243 WeakPolarHBondContact O-CB 3.48Å; L239-F243 WeakPolarHBondContact O-CG 3.26Å; L239-F243 PolarHBondContact O-N 2.75Å
240	L	85.3	Confident	79.3	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-60.8	-41.3	175.7	-174.7	67.8	0	0	0	111.7	Y213 L216 L220 A236 R237 F243 H244	Y213-L240 HydrophobicContact CD2-CD1 4.29Å; Y213-L240 HydrophobicContact CG-CD1 4.26Å; L216-L240 HydrophobicContact CD2-CB 3.86Å; L216-L240 HydrophobicContact CD2-CD1 3.92Å; L216-L240 HydrophobicContact CD2-CG 4.5Å; L216-L240 HydrophobicContact CG-CB 4.44Å; L216-L240 HydrophobicContact CG-CD1 4.47Å; L220-L240 HydrophobicContact CD1-CB 4.38Å; L220-L240 HydrophobicContact CD1-CD2 3.79Å; A236-L240 PolarHBondContact O-N 2.77Å; A236-L240 VanDerWaalsContact O-N 3.1Å; R237-L240 PolarHBondContact O-N 3.17Å; L240-F243 PolarHBondContact O-N 3.4Å; L240-H244 PolarHBondContact O-N 3.09Å
241	A	83.6	Confident	77	Confident	59 Å²	59	79.8 Å²	79.8	49%	0.488	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-33.9	176	0	0	0	0	0	113.2	R237 N238 L239 R245	R237-A241 PolarHBondContact O-N 3.44Å; N238-A241 PolarHBondContact O-N 2.73Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3.5Å; A241-R245 PolarHBondContact O-N 3.21Å
242	H	83.9	Confident	74.4	Confident	100 Å²	100	81.5 Å²	81.5	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-66.9	-40.7	169.5	175.2	71.8	0	0	0	111.2	N238 L239 R245 R246	N238-H242 PolarHBondContact O-N 2.91Å; L239-H242 WeakPolarHBondContact O-CB 3.47Å; L239-H242 PolarHBondContact O-N 2.61Å; H242-R245 WeakPolarHBondContact O-CB 3.47Å; H242-R245 PolarHBondContact O-N 2.99Å; H242-R246 PolarHBondContact O-N 2.71Å
243	F	84	Confident	72.4	Confident	1 Å²	1	86.9 Å²	86.9	0%	0.004	43%	0.429	C	S	.	.	H	α-helix	trans	-66.1	-47.1	-178.9	-75.5	-5.6	0	0	0	113.4	S204 F207 W208 Y213 L216 L239 L240 R245 R246 Q247	S204-F243 WeakPolarHBondContact O-CZ 3.42Å; F207-F243 HydrophobicContact CB-CE2 4.02Å; W208-F243 HydrophobicContact CB-CE2 4.28Å; W208-F243 HydrophobicContact CB-CZ 4.13Å; W208-F243 HydrophobicContact CE3-CB 3.97Å; W208-F243 AromaticContact CE3-CD1 3.53Å; W208-F243 HydrophobicContact CE3-CD1 3.53Å; W208-F243 AromaticContact CE3-CD2 3.96Å; W208-F243 HydrophobicContact CE3-CD2 3.96Å; W208-F243 AromaticContact CE3-CE1 3.86Å; W208-F243 HydrophobicContact CE3-CE1 3.86Å; W208-F243 HydrophobicContact CE3-CE2 4.27Å; W208-F243 AromaticContact CE3-CG 3.57Å; W208-F243 HydrophobicContact CE3-CG 3.57Å; W208-F243 HydrophobicContact CE3-CZ 4.21Å; W208-F243 HydrophobicContact CZ3-CB 3.72Å; W208-F243 AromaticContact CZ3-CD1 3.84Å; W208-F243 HydrophobicContact CZ3-CD1 3.84Å; W208-F243 AromaticContact CZ3-CG 3.83Å; W208-F243 HydrophobicContact CZ3-CG 3.83Å; W208-F243 WeakPolarHBondContact CZ3-O 3.47Å; Y213-F243 HydrophobicContact CD1-CB 4.49Å; Y213-F243 AromaticContact CD1-CD2 3.77Å; Y213-F243 HydrophobicContact CD1-CD2 3.77Å; Y213-F243 HydrophobicContact CD1-CE2 4.46Å; Y213-F243 HydrophobicContact CE1-CB 3.88Å; Y213-F243 AromaticContact CE1-CD2 3.74Å; Y213-F243 HydrophobicContact CE1-CD2 3.74Å; Y213-F243 HydrophobicContact CE1-CG 4.11Å; L216-F243 HydrophobicContact CD2-CD2 3.78Å; L216-F243 HydrophobicContact CD2-CE2 3.96Å; L239-F243 HydrophobicContact CD1-CD1 4.15Å; L239-F243 HydrophobicContact CD1-CE1 3.59Å; L239-F243 HydrophobicContact CD1-CE2 4.4Å; L239-F243 HydrophobicContact CD1-CZ 3.74Å; L239-F243 HydrophobicContact CD2-CE2 4.02Å; L239-F243 HydrophobicContact CD2-CZ 3.91Å; L239-F243 HydrophobicContact CG-CD1 4.37Å; L239-F243 HydrophobicContact CG-CD2 4.31Å; L239-F243 HydrophobicContact CG-CE1 3.99Å; L239-F243 HydrophobicContact CG-CE2 3.9Å; L239-F243 HydrophobicContact CG-CZ 3.74Å; L239-F243 WeakPolarHBondContact O-CB 3.48Å; L239-F243 WeakPolarHBondContact O-CG 3.26Å; L239-F243 PolarHBondContact O-N 2.75Å; L240-F243 PolarHBondContact O-N 3.4Å; F243-R245 PolarHBondContact O-N 3.4Å; F243-R246 PolarHBondContact O-N 2.78Å; F243-R246 VanDerWaalsContact O-N 3.14Å; F243-Q247 PolarHBondContact O-N 3.5Å
244	H	82.9	Confident	70.1	Confident	69 Å²	69	93.9 Å²	93.9	32%	0.319	47%	0.467	S	S	.	.	H	α-helix	trans	-59.4	-36.8	174.2	-65	163.3	0	0	0	112	Y213 L240 Q247 Q248	Y213-H244 AromaticContact CD2-NE2 3.95Å; Y213-H244 AromaticContact CE2-CD2 3.72Å; L240-H244 PolarHBondContact O-N 3.09Å; H244-Q247 PolarHBondContact O-N 3.22Å; H244-Q248 WeakPolarHBondContact O-CB 3.44Å; H244-Q248 WeakPolarHBondContact O-CG 3.3Å; H244-Q248 PolarHBondContact O-N 2.92Å
245	R	79.7	Confident	67.6	Low	176 Å²	176	90.4 Å²	90.4	66%	0.664	47%	0.472	S	S	*	.	H	α-helix	trans	-66.3	-42.9	174.6	-170.6	-170.2	-58.5	-108.4	-0.3	112.2	A241 H242 F243 Q247 Q248 C249	A241-R245 PolarHBondContact O-N 3.21Å; H242-R245 WeakPolarHBondContact O-CB 3.47Å; H242-R245 PolarHBondContact O-N 2.99Å; F243-R245 PolarHBondContact O-N 3.4Å; R245-Q247 VanDerWaalsContact C-N 3.33Å; R245-Q248 PolarHBondContact O-N 2.89Å; R245-C249 PolarHBondContact O-N 3.26Å; R245-C249 PolarHBondContact O-SG 3.1Å; R245-C249 VanDerWaalsContact O-SG 3.39Å
246	R	77.6	Confident	65	Low	83 Å²	83	95.1 Å²	95.1	31%	0.313	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-42.1	176.1	-177	172.8	169.3	-173.5	-11.4	110.9	E205 W208 H242 F243 Q248 C249 E250	E205-R246 IonicContact OE1-CZ 3.37Å; E205-R246 IonicContact OE1-NH1 2.69Å; E205-R246 PolarHBondContact OE1-NH1 3.33Å; E205-R246 IonicContact OE1-NH2 3.16Å; E205-R246 IonicContact OE2-CZ 2.65Å; E205-R246 IonicContact OE2-NH1 3.79Å; E205-R246 PolarHBondContact OE2-NH1 3.41Å; E205-R246 IonicContact OE2-NH2 2.74Å; E205-R246 PolarHBondContact OE2-NH2 3.48Å; W208-R246 HydrophobicContact CH2-CB 3.87Å; W208-R246 HydrophobicContact CH2-CG 3.68Å; W208-R246 HydrophobicContact CZ2-CG 4.31Å; W208-R246 HydrophobicContact CZ3-CB 4.01Å; W208-R246 HydrophobicContact CZ3-CG 4.11Å; H242-R246 PolarHBondContact O-N 2.71Å; F243-R246 PolarHBondContact O-N 2.78Å; F243-R246 VanDerWaalsContact O-N 3.14Å; R246-Q248 VanDerWaalsContact C-N 3.32Å; R246-Q248 PolarHBondContact O-N 3.43Å; R246-C249 PolarHBondContact O-N 2.82Å; R246-E250 PolarHBondContact O-N 3.34Å
247	Q	73.8	Confident	62.9	Low	78 Å²	78	104.2 Å²	104.2	36%	0.364	54%	0.54	S	S	.	.	H	α-helix	trans	-64.9	-33	176.2	-166.3	-178.5	17.6	0	0	113	W208 Y213 F243 H244 R245 C249	W208-Q247 HydrophobicContact CH2-CB 4.27Å; Y213-Q247 PolarHBondContact OH-OE1 3.31Å; F243-Q247 PolarHBondContact O-N 3.5Å; H244-Q247 PolarHBondContact O-N 3.22Å; R245-Q247 VanDerWaalsContact C-N 3.33Å; Q247-C249 VanDerWaalsContact C-N 3.28Å; Q247-C249 PolarHBondContact O-N 2.9Å
248	Q	63.8	Low	60.4	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.2	176	-72.1	167.1	2.2	0	0	114.2	H244 R245 R246	H244-Q248 WeakPolarHBondContact O-CB 3.44Å; H244-Q248 WeakPolarHBondContact O-CG 3.3Å; H244-Q248 PolarHBondContact O-N 2.92Å; R245-Q248 PolarHBondContact O-N 2.89Å; R246-Q248 VanDerWaalsContact C-N 3.32Å; R246-Q248 PolarHBondContact O-N 3.43Å
249	C	53.7	Low	57.5	Low	98 Å²	98	105.3 Å²	105.3	66%	0.662	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-3	180	-73.1	0	0	0	0	113.8	R245 R246 Q247	R245-C249 PolarHBondContact O-N 3.26Å; R245-C249 PolarHBondContact O-SG 3.1Å; R245-C249 VanDerWaalsContact O-SG 3.39Å; R246-C249 PolarHBondContact O-N 2.82Å; Q247-C249 VanDerWaalsContact C-N 3.28Å; Q247-C249 PolarHBondContact O-N 2.9Å
250	E	40.6	Very low	54.7	Low	138 Å²	138	109.7 Å²	109.7	65%	0.645	60%	0.599	S	S	*	*	S	Bend	trans	-70.7	125.4	165.6	-67	-73.2	134	0	0	108	R246	R246-E250 PolarHBondContact O-N 3.34Å
251	P	37.4	Very low	52.2	Low	114 Å²	114	114.6 Å²	114.6	74%	0.74	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-70.3	132.9	176.9	28.8	-33.1	0	0	0	110.4
252	D	29.1	Very low	49.6	Very low	133 Å²	133	121.6 Å²	121.6	71%	0.711	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.7	177.3	-134.3	-25.8	0	0	0	110.1	D254	D252-D254 PolarHBondContact O-N 3.41Å
253	P	43.4	Very low	47	Very low	117 Å²	117	121.4 Å²	121.4	76%	0.76	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-28.3	-179.7	-24	35	0	0	0	113.9
254	D	37.2	Very low	44.5	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	59	-173.4	-67.3	-60.4	0	0	0	111.2	D252	D252-D254 PolarHBondContact O-N 3.41Å
255	G	32	Very low	42.1	Very low	59 Å²	59	131.8 Å²	131.8	61%	0.608	72%	0.724	S	S	*	*			trans	-126.5	114.2	-179	0	0	0	0	0	113.7
256	E	33.1	Very low	39.7	Very low	194 Å²	194	131.6 Å²	131.6	91%	0.907	73%	0.731	S	S	*	*			trans	-58.6	157.6	-168.9	-62.9	-178.8	128.5	0	0	116.8	I258	E256-I258 PolarHBondContact O-N 3.07Å
257	H	42.3	Very low	37.9	Very low	190 Å²	190	136 Å²	136	88%	0.88	76%	0.755	S	S	*	*			trans	-37.8	123.4	175.1	-76.6	-10.7	0	0	0	115.8
258	I	33.1	Very low	35.8	Very low	175 Å²	175	137.1 Å²	137.1	90%	0.897	77%	0.771	S	S	*	*			trans	-105.6	113.1	145.4	-62.5	-178.8	0	0	0	106.6	E256	E256-I258 PolarHBondContact O-N 3.07Å
259	G	24.7	Very low	34.7	Very low	62 Å²	62	133.4 Å²	133.4	64%	0.639	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-82.2	144.8	-158.4	0	0	0	0	0	115.9
260	C	26.9	Very low	33.7	Very low	118 Å²	118	137.8 Å²	137.8	80%	0.797	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.5	137.9	153.9	-60.4	0	0	0	0	109.2	F262	C260-F262 PolarHBondContact O-N 2.88Å
261	P	32.4	Very low	33.8	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.2	127.9	171.5	27.4	-32.9	0	0	0	109.4	A263	P261-A263 PolarHBondContact O-N 3.02Å
262	F	29.2	Very low	34	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.904	80%	0.8	S	S	*	*			trans	-56.3	110.3	176.2	-107.2	-108.4	0	0	0	110.4	C260	C260-F262 PolarHBondContact O-N 2.88Å
263	A	30.6	Very low	34.4	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	80%	0.802	S	S	*	*			trans	-73.8	122.9	154.9	0	0	0	0	0	107.2	P261 Q265	P261-A263 PolarHBondContact O-N 3.02Å; A263-Q265 PolarHBondContact O-N 3.33Å
264	T	30.2	Very low	34.6	Very low	121 Å²	121	146.3 Å²	146.3	74%	0.742	81%	0.809	S	S	*	*			trans	-65.7	129.1	-178.5	39.5	0	0	0	0	111.1	E266	T264-E266 PolarHBondContact O-N 3.45Å
265	Q	33.3	Very low	34.9	Very low	168 Å²	168	142.6 Å²	142.6	79%	0.785	79%	0.794	S	S	*	*			trans	-66.2	101.2	171.4	179.3	-177.4	-2.9	0	0	109.8	A263 E267	A263-Q265 PolarHBondContact O-N 3.33Å; Q265-E267 HydrophobicContact CG-CG 4.42Å
266	E	30	Very low	35.3	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	79%	0.792	S	S	*	*			trans	-93.1	111.9	159.4	-70	-165.4	154.4	0	0	108.7	T264 S268	T264-E266 PolarHBondContact O-N 3.45Å; E266-S268 PolarHBondContact O-N 2.78Å; E266-S268 VanDerWaalsContact O-N 3.08Å
267	E	39.9	Very low	36.2	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	77%	0.772	S	S	*	*			trans	-69.4	103.4	171.4	-67.6	-170.9	141.2	0	0	109.6	Q265	Q265-E267 HydrophobicContact CG-CG 4.42Å
268	S	29.1	Very low	37.6	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	75%	0.751	S	S	*	*			trans	-123.5	111.3	163.9	54.9	0	0	0	0	109	E266 F270	E266-S268 PolarHBondContact O-N 2.78Å; E266-S268 VanDerWaalsContact O-N 3.08Å; S268-F270 PolarHBondContact O-N 3.45Å
269	G	40.1	Very low	40.2	Very low	81 Å²	81	125.3 Å²	125.3	84%	0.835	71%	0.71	S	S	*	*			trans	-73.4	110.6	-174.7	0	0	0	0	0	112.2
270	F	32.4	Very low	43.2	Very low	191 Å²	191	125.1 Å²	125.1	84%	0.838	70%	0.695	S	S	*	*			trans	-126.3	103.2	157	-94.8	-93	0	0	0	108.6	S268	S268-F270 PolarHBondContact O-N 3.45Å
271	E	43.2	Very low	46.2	Very low	189 Å²	189	123.2 Å²	123.2	88%	0.883	68%	0.683	S	S	*	*			trans	-70.4	158.1	150.3	-65.1	-171	119	0	0	108.4
272	D	42.4	Very low	49.1	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	65%	0.646	S	S	*	*			trans	58.5	82	-166.2	-77.2	-26	0	0	0	115
273	E	38.1	Very low	52.1	Low	163 Å²	163	112.1 Å²	112.1	76%	0.762	63%	0.625	S	S	*	*				-167.5	108.9	103.6	-102.4	-160.5	-156.5	0	0	113.4	P275	E273-P275 HydrophobicContact CB-CG 4.29Å; E273-P275 HydrophobicContact CG-CG 3.83Å; E273-P275 WeakPolarHBondContact OE2-CG 3.5Å
274	L	46.1	Very low	55.1	Low	174 Å²	174	108.7 Å²	108.7	91%	0.911	60%	0.595	S	S	*	*			trans	-113.6	30.9	160.1	-84.1	170.4	0	0	0	115.6
275	P	43.9	Very low	58.1	Low	79 Å²	79	106.9 Å²	106.9	51%	0.513	58%	0.58	S	S	.	*			trans	-84.6	-7.7	177.6	37.5	-36.9	0	0	0	114.5	E273 F277	E273-P275 HydrophobicContact CB-CG 4.29Å; E273-P275 HydrophobicContact CG-CG 3.83Å; E273-P275 WeakPolarHBondContact OE2-CG 3.5Å; P275-F277 VanDerWaalsContact C-N 3.31Å; P275-F277 PolarHBondContact O-N 2.88Å
276	A	39.6	Very low	61.1	Low	69 Å²	69	100.6 Å²	100.6	57%	0.57	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-25.9	-166.6	0	0	0	0	0	115.5
277	F	52	Low	64.2	Low	114 Å²	114	92.5 Å²	92.5	50%	0.5	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	36.3	-171.9	-59.7	-88.4	0	0	0	113.7	P275 F279 H522 W526	P275-F277 VanDerWaalsContact C-N 3.31Å; P275-F277 PolarHBondContact O-N 2.88Å; F277-F279 PolarHBondContact O-N 3.22Å; F277-H522 AromaticContact CD1-CD2 3.93Å; F277-H522 AromaticContact CD1-NE2 3.38Å; F277-H522 WeakPolarHBondContact CD1-NE2 3.38Å; F277-H522 AromaticContact CE1-CD2 3.6Å; F277-H522 AromaticContact CE1-NE2 3.45Å; F277-H522 WeakPolarHBondContact CE1-NE2 3.31Å; F277-W526 PolarHBondContact O-NE1 3.34Å
278	S	73.6	Confident	66.9	Low	62 Å²	62	84.1 Å²	84.1	43%	0.434	47%	0.474	S	S	.	.			trans	-68.4	128.7	177.3	-170.2	0	0	0	0	111.9	L280 S281	S278-L280 PolarHBondContact O-N 2.96Å; S278-S281 WeakPolarHBondContact O-CB 3.5Å; S278-S281 PolarHBondContact O-N 3.21Å; S278-S281 PolarHBondContact O-OG 3.04Å
279	F	86.9	Confident	70.1	Confident	9 Å²	9	82.2 Å²	82.2	4%	0.039	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-46	-32.4	176.7	172.8	-122.5	0	0	0	114.3	F277 S281 F282 T344 L359 R362 W363 V366 W526	F277-F279 PolarHBondContact O-N 3.22Å; F279-S281 PolarHBondContact O-N 3.1Å; F279-F282 PolarHBondContact O-N 3Å; F279-T344 HydrophobicContact CB-CG2 4.48Å; F279-L359 HydrophobicContact CD1-CD2 4.01Å; F279-R362 HydrophobicContact CD1-CG 4.29Å; F279-R362 HydrophobicContact CE1-CB 3.9Å; F279-R362 HydrophobicContact CE1-CG 3.55Å; F279-R362 HydrophobicContact CZ-CB 4.45Å; F279-R362 HydrophobicContact CZ-CG 3.72Å; F279-W363 HydrophobicContact CD2-CZ2 4.3Å; F279-W363 AromaticContact CE1-CD1 3.72Å; F279-W363 AromaticContact CE1-CD2 3.83Å; F279-W363 HydrophobicContact CE1-CD2 3.83Å; F279-W363 AromaticContact CE1-CE2 3.48Å; F279-W363 VanDerWaalsContact CE1-CE2 3.48Å; F279-W363 AromaticContact CE1-CG 3.99Å; F279-W363 HydrophobicContact CE1-CG 3.99Å; F279-W363 HydrophobicContact CE1-CZ2 4Å; F279-W363 AromaticContact CE1-NE1 3.4Å; F279-W363 HydrophobicContact CE2-CD2 4.44Å; F279-W363 AromaticContact CE2-CE2 3.98Å; F279-W363 AromaticContact CE2-CH2 3.86Å; F279-W363 HydrophobicContact CE2-CH2 3.86Å; F279-W363 AromaticContact CE2-CZ2 3.68Å; F279-W363 HydrophobicContact CE2-CZ2 3.68Å; F279-W363 HydrophobicContact CE2-CZ3 4.31Å; F279-W363 AromaticContact CZ-CD2 3.5Å; F279-W363 HydrophobicContact CZ-CD2 3.5Å; F279-W363 AromaticContact CZ-CE2 3.3Å; F279-W363 AromaticContact CZ-CE3 3.86Å; F279-W363 HydrophobicContact CZ-CE3 3.86Å; F279-W363 HydrophobicContact CZ-CG 4.1Å; F279-W363 AromaticContact CZ-CH2 3.88Å; F279-W363 HydrophobicContact CZ-CH2 3.88Å; F279-W363 AromaticContact CZ-CZ2 3.51Å; F279-W363 HydrophobicContact CZ-CZ2 3.51Å; F279-W363 HydrophobicContact CZ-CZ3 4.04Å; F279-W363 AromaticContact CZ-NE1 3.77Å; F279-V366 HydrophobicContact CZ-CG2 4.4Å; F279-W526 HydrophobicContact CB-CZ2 3.88Å; F279-W526 AromaticContact CD2-CH2 3.54Å; F279-W526 HydrophobicContact CD2-CH2 3.54Å; F279-W526 AromaticContact CD2-CZ2 3.77Å; F279-W526 HydrophobicContact CD2-CZ2 3.77Å; F279-W526 HydrophobicContact CD2-CZ3 4.4Å; F279-W526 HydrophobicContact CE2-CH2 4.16Å; F279-W526 HydrophobicContact CG-CH2 4.33Å; F279-W526 HydrophobicContact CG-CZ2 4.18Å
280	L	88.4	Confident	72.8	Confident	59 Å²	59	78.4 Å²	78.4	31%	0.309	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-69.8	-10.6	-179.5	-64.6	176.4	0	0	0	114.5	S278 L359 R362	S278-L280 PolarHBondContact O-N 2.96Å; L280-L359 HydrophobicContact CD1-CD2 4.07Å; L280-L359 HydrophobicContact CD2-CD2 3.91Å; L280-L359 HydrophobicContact CG-CD2 3.77Å; L280-R362 HydrophobicContact CD2-CB 3.9Å; L280-R362 HydrophobicContact CD2-CG 4.24Å; L280-R362 PolarHBondContact O-NH1 3.03Å; L280-R362 PolarHBondContact O-NH2 3Å
281	S	88.9	Confident	75.8	Confident	78 Å²	78	69.3 Å²	69.3	55%	0.545	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-77.1	-27.4	173.8	69.6	0	0	0	0	113.2	S278 F279	S278-S281 WeakPolarHBondContact O-CB 3.5Å; S278-S281 PolarHBondContact O-N 3.21Å; S278-S281 PolarHBondContact O-OG 3.04Å; F279-S281 PolarHBondContact O-N 3.1Å
282	F	92.4	Very high	78.3	Confident	11 Å²	11	60.3 Å²	60.3	5%	0.048	33%	0.332	C	S	.	.	S	Bend	trans	-77	134	-178.7	-64	-75.6	0	0	0	112.2	F279 M286 V287 R362 H522 F523 W526	F279-F282 PolarHBondContact O-N 3Å; F282-M286 HydrophobicContact CB-CE 4.15Å; F282-M286 HydrophobicContact CD1-CE 3.41Å; F282-M286 VanDerWaalsContact CD1-CE 3.41Å; F282-M286 HydrophobicContact CE1-CE 4.15Å; F282-M286 HydrophobicContact CG-CE 4.18Å; F282-V287 HydrophobicContact CB-CG2 3.57Å; F282-V287 HydrophobicContact CG-CG2 4.34Å; F282-R362 PolarHBondContact O-NH1 3.14Å; F282-H522 AromaticContact CE1-CE1 3.54Å; F282-H522 AromaticContact CE1-ND1 3.26Å; F282-H522 VanDerWaalsContact CE1-ND1 3.26Å; F282-H522 WeakPolarHBondContact CE1-ND1 3.33Å; F282-H522 AromaticContact CZ-CE1 3.55Å; F282-H522 AromaticContact CZ-ND1 3.63Å; F282-F523 HydrophobicContact CD1-CB 4.5Å; F282-F523 HydrophobicContact CD1-CD2 4.17Å; F282-F523 HydrophobicContact CE1-CB 3.9Å; F282-F523 HydrophobicContact CE1-CD2 4.06Å; F282-F523 HydrophobicContact CG-CD2 4.43Å; F282-F523 HydrophobicContact CZ-CB 4.45Å; F282-F523 HydrophobicContact CZ-CD2 4.29Å; F282-W526 HydrophobicContact CD2-CD2 4.46Å; F282-W526 HydrophobicContact CE2-CB 4.16Å; F282-W526 AromaticContact CE2-CD1 4Å; F282-W526 AromaticContact CE2-CD2 3.58Å; F282-W526 HydrophobicContact CE2-CD2 3.58Å; F282-W526 AromaticContact CE2-CE2 3.98Å; F282-W526 AromaticContact CE2-CE3 3.97Å; F282-W526 HydrophobicContact CE2-CE3 3.97Å; F282-W526 AromaticContact CE2-CG 3.63Å; F282-W526 HydrophobicContact CE2-CG 3.63Å; F282-W526 HydrophobicContact CZ-CB 3.82Å; F282-W526 HydrophobicContact CZ-CD2 4.09Å; F282-W526 HydrophobicContact CZ-CE3 4.37Å; F282-W526 AromaticContact CZ-CG 3.83Å; F282-W526 HydrophobicContact CZ-CG 3.83Å
283	D	93.1	Very high	80.8	Confident	88 Å²	88	53.9 Å²	53.9	47%	0.471	30%	0.298	S	S	.	.			trans	-63.5	127	171.8	-171.1	-41	0	0	0	110.1	I285 M286 V287	D283-I285 PolarHBondContact O-N 2.81Å; D283-I285 WeakPolarHBondContact OD1-CB 3.24Å; D283-I285 PolarHBondContact OD1-N 2.99Å; D283-M286 HydrophobicContact CB-CB 4.15Å; D283-M286 PolarHBondContact O-N 3.4Å; D283-M286 VanDerWaalsContact O-N 3.12Å; D283-V287 WeakPolarHBondContact O-CG2 3.44Å; D283-V287 PolarHBondContact O-N 3.39Å
284	P	94.2	Very high	83.6	Confident	22 Å²	22	47.6 Å²	47.6	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-26.9	179.1	23.7	-33.9	0	0	0	114.2	A288 D365 V366	P284-A288 WeakPolarHBondContact O-CB 3.45Å; P284-A288 PolarHBondContact O-N 2.88Å; P284-A288 VanDerWaalsContact O-N 3.14Å; P284-D365 HydrophobicContact CB-CB 3.8Å; P284-D365 HydrophobicContact CG-CB 4.07Å; P284-V366 HydrophobicContact CB-CG2 3.75Å
285	I	93.5	Very high	86	Confident	83 Å²	83	39.4 Å²	39.4	43%	0.426	23%	0.226	S	C	.	.	H	α-helix	trans	-66.2	-53.2	174.2	-60.4	170.4	0	0	0	109.3	D283 V287 A288 E289 E369	D283-I285 PolarHBondContact O-N 2.81Å; D283-I285 WeakPolarHBondContact OD1-CB 3.24Å; D283-I285 PolarHBondContact OD1-N 2.99Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.29Å; I285-A288 WeakPolarHBondContact O-CB 3.44Å; I285-A288 PolarHBondContact O-N 3.36Å; I285-E289 HydrophobicContact CG2-CG 4.47Å; I285-E289 WeakPolarHBondContact O-CG 3.14Å; I285-E289 PolarHBondContact O-N 3.01Å; I285-E369 HydrophobicContact CG1-CG 3.95Å
286	M	94.8	Very high	88.4	Confident	37 Å²	37	35.6 Å²	35.6	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-41.7	-178.9	-172.1	-72.9	-59.6	0	0	111.4	F282 D283 A288 E289 Q290 E520 F523	F282-M286 HydrophobicContact CB-CE 4.15Å; F282-M286 HydrophobicContact CD1-CE 3.41Å; F282-M286 VanDerWaalsContact CD1-CE 3.41Å; F282-M286 HydrophobicContact CE1-CE 4.15Å; F282-M286 HydrophobicContact CG-CE 4.18Å; D283-M286 HydrophobicContact CB-CB 4.15Å; D283-M286 PolarHBondContact O-N 3.4Å; D283-M286 VanDerWaalsContact O-N 3.12Å; M286-A288 VanDerWaalsContact C-N 3.34Å; M286-A288 PolarHBondContact O-N 3.48Å; M286-E289 WeakPolarHBondContact O-CB 3.49Å; M286-E289 PolarHBondContact O-N 3.34Å; M286-Q290 WeakPolarHBondContact O-CG 3.25Å; M286-Q290 PolarHBondContact O-N 3.34Å; M286-Q290 HydrophobicContact SD-CG 3.49Å; M286-Q290 WeakPolarHBondContact SD-CG 3.45Å; M286-E520 HydrophobicContact SD-CB 3.93Å; M286-E520 HydrophobicContact SD-CG 4Å; M286-F523 HydrophobicContact CE-CB 4.1Å; M286-F523 HydrophobicContact CE-CD2 4.14Å; M286-F523 HydrophobicContact CE-CG 4.31Å; M286-F523 HydrophobicContact SD-CB 4.31Å
287	V	96.7	Very high	90.9	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-44.4	174.2	174.8	0	0	0	0	111.4	F282 D283 I285 Q290 F291 V366 F523	F282-V287 HydrophobicContact CB-CG2 3.57Å; F282-V287 HydrophobicContact CG-CG2 4.34Å; D283-V287 WeakPolarHBondContact O-CG2 3.44Å; D283-V287 PolarHBondContact O-N 3.39Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.29Å; V287-Q290 PolarHBondContact O-N 2.86Å; V287-F291 HydrophobicContact CG1-CD2 3.76Å; V287-F291 HydrophobicContact CG1-CE2 3.33Å; V287-F291 HydrophobicContact CG1-CZ 4.14Å; V287-F291 VanDerWaalsContact O-CD2 3.24Å; V287-F291 WeakPolarHBondContact O-CD2 3.21Å; V287-F291 PolarHBondContact O-N 3.1Å; V287-V366 HydrophobicContact CB-CG1 4.34Å; V287-V366 HydrophobicContact CB-CG2 4Å; V287-V366 HydrophobicContact CG1-CB 4.48Å; V287-V366 HydrophobicContact CG1-CG1 3.7Å; V287-V366 HydrophobicContact CG1-CG2 3.82Å; V287-F523 HydrophobicContact CB-CE2 4.2Å; V287-F523 HydrophobicContact CG1-CE2 3.84Å; V287-F523 HydrophobicContact CG1-CZ 4.06Å; V287-F523 HydrophobicContact CG2-CD2 4.2Å; V287-F523 HydrophobicContact CG2-CE2 3.83Å
288	A	96.3	Very high	93	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-35.7	176.5	0	0	0	0	0	112.8	P284 I285 M286 T292 V366 E369 L373	P284-A288 WeakPolarHBondContact O-CB 3.45Å; P284-A288 PolarHBondContact O-N 2.88Å; P284-A288 VanDerWaalsContact O-N 3.14Å; I285-A288 WeakPolarHBondContact O-CB 3.44Å; I285-A288 PolarHBondContact O-N 3.36Å; M286-A288 VanDerWaalsContact C-N 3.34Å; M286-A288 PolarHBondContact O-N 3.48Å; A288-T292 VanDerWaalsContact O-CB 3.26Å; A288-T292 WeakPolarHBondContact O-CB 3.2Å; A288-T292 PolarHBondContact O-N 2.88Å; A288-T292 PolarHBondContact O-OG1 3.25Å; A288-V366 HydrophobicContact CB-CG1 4.39Å; A288-E369 HydrophobicContact CB-CB 3.66Å; A288-L373 HydrophobicContact CB-CD1 3.99Å
289	E	94.8	Very high	94	Very high	61 Å²	61	28.7 Å²	28.7	29%	0.285	16%	0.155	S	C	.	.	H	α-helix	trans	-64.3	-45.5	173.3	-69	-174.9	147.1	0	0	111.8	I285 M286 T292 L293 L373 F517	I285-E289 HydrophobicContact CG2-CG 4.47Å; I285-E289 WeakPolarHBondContact O-CG 3.14Å; I285-E289 PolarHBondContact O-N 3.01Å; M286-E289 WeakPolarHBondContact O-CB 3.49Å; M286-E289 PolarHBondContact O-N 3.34Å; E289-T292 PolarHBondContact O-N 2.91Å; E289-L293 WeakPolarHBondContact O-CB 3.36Å; E289-L293 PolarHBondContact O-N 2.85Å; E289-L373 HydrophobicContact CB-CD1 4.49Å; E289-L373 HydrophobicContact CG-CD1 3.91Å; E289-F517 HydrophobicContact CB-CD1 3.88Å; E289-F517 HydrophobicContact CB-CE1 4.15Å; E289-F517 HydrophobicContact CB-CG 4.27Å; E289-F517 HydrophobicContact CG-CD1 3.77Å; E289-F517 HydrophobicContact CG-CE1 3.68Å; E289-F517 HydrophobicContact CG-CZ 4.46Å
290	Q	96.7	Very high	94.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-42	178.3	-64.7	-51.3	-58.1	0	0	112.3	M286 V287 T292 L293 M294 T518 E520 F523	M286-Q290 WeakPolarHBondContact O-CG 3.25Å; M286-Q290 PolarHBondContact O-N 3.34Å; M286-Q290 HydrophobicContact SD-CG 3.49Å; M286-Q290 WeakPolarHBondContact SD-CG 3.45Å; V287-Q290 PolarHBondContact O-N 2.86Å; Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 3.43Å; Q290-L293 PolarHBondContact O-N 2.85Å; Q290-M294 VanDerWaalsContact O-CG 3.31Å; Q290-M294 WeakPolarHBondContact O-CG 3.5Å; Q290-M294 PolarHBondContact O-N 3.18Å; Q290-T518 PolarHBondContact NE2-O 3.41Å; Q290-E520 HydrophobicContact CG-CB 4.09Å; Q290-F523 HydrophobicContact CB-CD1 3.43Å; Q290-F523 VanDerWaalsContact CB-CD1 3.43Å; Q290-F523 HydrophobicContact CB-CE1 3.47Å; Q290-F523 VanDerWaalsContact CB-CE1 3.47Å; Q290-F523 HydrophobicContact CB-CG 4.27Å; Q290-F523 HydrophobicContact CB-CZ 4.33Å; Q290-F523 HydrophobicContact CG-CB 4.38Å; Q290-F523 HydrophobicContact CG-CD1 3.65Å; Q290-F523 HydrophobicContact CG-CE1 4.2Å; Q290-F523 HydrophobicContact CG-CG 4.09Å
291	F	97.1	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-39.8	172.5	-71.8	-41.5	0	0	0	112.3	V287 M294 D295 V337 W363 V366 F523 F527	V287-F291 HydrophobicContact CG1-CD2 3.76Å; V287-F291 HydrophobicContact CG1-CE2 3.33Å; V287-F291 HydrophobicContact CG1-CZ 4.14Å; V287-F291 VanDerWaalsContact O-CD2 3.24Å; V287-F291 WeakPolarHBondContact O-CD2 3.21Å; V287-F291 PolarHBondContact O-N 3.1Å; F291-M294 PolarHBondContact O-N 3.05Å; F291-D295 WeakPolarHBondContact O-CB 3.39Å; F291-D295 PolarHBondContact O-N 2.73Å; F291-V337 HydrophobicContact CD1-CG2 3.72Å; F291-V337 HydrophobicContact CE1-CG1 4.31Å; F291-V337 HydrophobicContact CE1-CG2 3.75Å; F291-V337 HydrophobicContact CE2-CG1 4.37Å; F291-V337 HydrophobicContact CG-CG2 4.42Å; F291-V337 HydrophobicContact CZ-CG1 4.22Å; F291-V337 HydrophobicContact CZ-CG2 4.45Å; F291-W363 HydrophobicContact CE2-CH2 4.12Å; F291-W363 AromaticContact CE2-CZ3 3.84Å; F291-W363 HydrophobicContact CE2-CZ3 3.84Å; F291-W363 HydrophobicContact CZ-CH2 4.13Å; F291-W363 HydrophobicContact CZ-CZ3 4.3Å; F291-V366 HydrophobicContact CD2-CG1 4.26Å; F291-V366 HydrophobicContact CE2-CG1 4.28Å; F291-F523 HydrophobicContact CD1-CE1 4.48Å; F291-F523 HydrophobicContact CD1-CZ 4.29Å; F291-F523 HydrophobicContact CE1-CE1 4.24Å; F291-F523 AromaticContact CE1-CZ 3.77Å; F291-F523 HydrophobicContact CE1-CZ 3.77Å; F291-F523 HydrophobicContact CE2-CZ 4.24Å; F291-F523 AromaticContact CZ-CZ 3.76Å; F291-F523 HydrophobicContact CZ-CZ 3.76Å; F291-F527 AromaticContact CE1-CD2 3.89Å; F291-F527 HydrophobicContact CE1-CD2 3.89Å; F291-F527 AromaticContact CE1-CE2 3.56Å; F291-F527 HydrophobicContact CE1-CE2 3.56Å; F291-F527 AromaticContact CE1-CZ 4Å; F291-F527 HydrophobicContact CE1-CZ 4Å; F291-F527 HydrophobicContact CZ-CD2 4.3Å; F291-F527 HydrophobicContact CZ-CE2 4.09Å
292	T	95.6	Very high	94.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-35.8	177.1	-55.6	0	0	0	0	112	A288 E289 Q290 A296 L373 N375 I464 Y515 F517	A288-T292 VanDerWaalsContact O-CB 3.26Å; A288-T292 WeakPolarHBondContact O-CB 3.2Å; A288-T292 PolarHBondContact O-N 2.88Å; A288-T292 PolarHBondContact O-OG1 3.25Å; E289-T292 PolarHBondContact O-N 2.91Å; Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 3.43Å; T292-A296 WeakPolarHBondContact O-CB 3.49Å; T292-A296 PolarHBondContact O-N 3.42Å; T292-L373 HydrophobicContact CG2-CB 4.5Å; T292-N375 WeakPolarHBondContact CA-ND2 3.33Å; T292-N375 HydrophobicContact CG2-CB 4.14Å; T292-N375 WeakPolarHBondContact OG1-CB 3.43Å; T292-N375 PolarHBondContact OG1-ND2 3.49Å; T292-I464 HydrophobicContact CG2-CD1 3.78Å; T292-I464 WeakPolarHBondContact O-CD1 3.4Å; T292-Y515 HydrophobicContact CG2-CD1 3.98Å; T292-Y515 HydrophobicContact CG2-CD2 4.38Å; T292-Y515 HydrophobicContact CG2-CE1 3.62Å; T292-Y515 HydrophobicContact CG2-CE2 4.08Å; T292-Y515 HydrophobicContact CG2-CG 4.34Å; T292-F517 HydrophobicContact CG2-CE2 3.69Å; T292-F517 HydrophobicContact CG2-CZ 4.3Å
293	L	95.1	Very high	94.2	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-49.4	171.4	178.2	61.1	0	0	0	111.4	E289 Q290 A296 D297 F517 Q519	E289-L293 WeakPolarHBondContact O-CB 3.36Å; E289-L293 PolarHBondContact O-N 2.85Å; Q290-L293 PolarHBondContact O-N 2.85Å; L293-A296 PolarHBondContact O-N 3.22Å; L293-D297 WeakPolarHBondContact O-CB 3.26Å; L293-D297 PolarHBondContact O-N 2.79Å; L293-F517 HydrophobicContact CB-CB 4.35Å; L293-F517 HydrophobicContact CB-CD2 4.35Å; L293-Q519 HydrophobicContact CD2-CB 4.03Å
294	M	95.7	Very high	93.8	Very high	32 Å²	32	28.8 Å²	28.8	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-46	180	-67.6	175.2	76	0	0	112.5	Q290 F291 L298 F527	Q290-M294 VanDerWaalsContact O-CG 3.31Å; Q290-M294 WeakPolarHBondContact O-CG 3.5Å; Q290-M294 PolarHBondContact O-N 3.18Å; F291-M294 PolarHBondContact O-N 3.05Å; M294-L298 WeakPolarHBondContact O-CG 3.39Å; M294-L298 PolarHBondContact O-N 2.82Å; M294-F527 HydrophobicContact CE-CD1 4Å; M294-F527 HydrophobicContact CE-CE1 3.83Å; M294-F527 HydrophobicContact SD-CD1 4.45Å
295	D	96.3	Very high	93.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-41.4	175.8	-79.5	-30.5	0	0	0	111.4	F291 L298 F299 Q333 N375 S378 I464	F291-D295 WeakPolarHBondContact O-CB 3.39Å; F291-D295 PolarHBondContact O-N 2.73Å; D295-L298 PolarHBondContact O-N 3.48Å; D295-F299 VanDerWaalsContact O-CB 3.25Å; D295-F299 WeakPolarHBondContact O-CB 3.45Å; D295-F299 PolarHBondContact O-N 3.03Å; D295-Q333 WeakPolarHBondContact OD1-CG 3.33Å; D295-N375 PolarHBondContact OD2-ND2 2.86Å; D295-N375 PolarHBondContact OD2-OD1 2.93Å; D295-S378 WeakPolarHBondContact OD2-CB 3.43Å; D295-S378 PolarHBondContact OD2-N 3.19Å; D295-S378 PolarHBondContact OD2-OG 3.39Å; D295-I464 HydrophobicContact CB-CD1 3.6Å; D295-I464 HydrophobicContact CB-CG2 4.26Å
296	A	94.3	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-42.9	-179.7	0	0	0	0	0	111.5	T292 L293 L298 F299 K300 I464 Y515	T292-A296 WeakPolarHBondContact O-CB 3.49Å; T292-A296 PolarHBondContact O-N 3.42Å; L293-A296 PolarHBondContact O-N 3.22Å; A296-L298 VanDerWaalsContact C-N 3.25Å; A296-L298 PolarHBondContact O-N 2.92Å; A296-F299 PolarHBondContact O-N 2.92Å; A296-K300 WeakPolarHBondContact O-CB 3.49Å; A296-K300 WeakPolarHBondContact O-CD 3.49Å; A296-K300 WeakPolarHBondContact O-CG 3.07Å; A296-K300 PolarHBondContact O-N 3.43Å; A296-I464 HydrophobicContact CB-CD1 3.91Å; A296-Y515 HydrophobicContact CB-CD2 3.95Å
297	D	93.3	Very high	92.9	Very high	55 Å²	55	25 Å²	25	29%	0.294	12%	0.12	S	C	.	.	H	α-helix	trans	-70.3	-20.6	-179.1	-75.3	-6.3	0	0	0	113.7	L293 K300 K301	L293-D297 WeakPolarHBondContact O-CB 3.26Å; L293-D297 PolarHBondContact O-N 2.79Å; D297-K300 IonicContact OD1-NZ 3.38Å; D297-K300 PolarHBondContact OD1-NZ 3.21Å; D297-K301 WeakPolarHBondContact O-CD 3.44Å; D297-K301 WeakPolarHBondContact O-CE 3.38Å; D297-K301 VanDerWaalsContact O-CG 3.3Å; D297-K301 WeakPolarHBondContact O-CG 3.46Å; D297-K301 PolarHBondContact O-NZ 2.84Å
298	L	94.9	Very high	92.7	Very high	42 Å²	42	25 Å²	25	22%	0.22	12%	0.119	C	C	.	.	H	α-helix	trans	-83.1	-44.7	167.4	-68	174.1	0	0	0	111.5	M294 D295 A296 K300 K301 V302 A329 Q333	M294-L298 WeakPolarHBondContact O-CG 3.39Å; M294-L298 PolarHBondContact O-N 2.82Å; D295-L298 PolarHBondContact O-N 3.48Å; A296-L298 VanDerWaalsContact C-N 3.25Å; A296-L298 PolarHBondContact O-N 2.92Å; L298-K300 PolarHBondContact O-N 3.48Å; L298-K301 CarbonylContact O-C 3.26Å; L298-K301 WeakPolarHBondContact O-CA 3.25Å; L298-K301 WeakPolarHBondContact O-CB 3.5Å; L298-K301 PolarHBondContact O-N 3.23Å; L298-V302 PolarHBondContact O-N 3.15Å; L298-A329 HydrophobicContact CD2-CB 4.1Å; L298-Q333 HydrophobicContact CD1-CB 3.42Å; L298-Q333 VanDerWaalsContact CD1-CB 3.42Å; L298-Q333 HydrophobicContact CD1-CG 3.85Å
299	F	94.3	Very high	92.3	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-38.4	-178.3	-175.3	-120.8	0	0	0	112.8	D295 A296 K301 V302 I464 P465 I505 L508 Q509	D295-F299 VanDerWaalsContact O-CB 3.25Å; D295-F299 WeakPolarHBondContact O-CB 3.45Å; D295-F299 PolarHBondContact O-N 3.03Å; A296-F299 PolarHBondContact O-N 2.92Å; F299-K301 PolarHBondContact O-N 2.76Å; F299-V302 HydrophobicContact CD2-CG2 4.26Å; F299-V302 WeakPolarHBondContact O-CB 3.38Å; F299-V302 PolarHBondContact O-N 3.33Å; F299-V302 VanDerWaalsContact O-N 3.1Å; F299-I464 HydrophobicContact CB-CG2 4.29Å; F299-I464 HydrophobicContact CD1-CG2 4.36Å; F299-I464 HydrophobicContact CG-CG2 4.3Å; F299-P465 HydrophobicContact CD2-CG 4.41Å; F299-P465 VanDerWaalsContact CE1-CD 3.49Å; F299-P465 HydrophobicContact CE1-CG 4.05Å; F299-P465 HydrophobicContact CE2-CG 3.62Å; F299-P465 VanDerWaalsContact CZ-CD 3.42Å; F299-P465 HydrophobicContact CZ-CG 3.41Å; F299-P465 VanDerWaalsContact CZ-CG 3.41Å; F299-I505 HydrophobicContact CE2-CG2 4.06Å; F299-I505 HydrophobicContact CZ-CG2 4.23Å; F299-L508 HydrophobicContact CE1-CB 3.91Å; F299-L508 HydrophobicContact CZ-CB 3.89Å; F299-Q509 HydrophobicContact CD1-CG 4.14Å; F299-Q509 HydrophobicContact CE1-CB 4.32Å; F299-Q509 HydrophobicContact CE1-CG 3.72Å; F299-Q509 HydrophobicContact CE2-CG 4.09Å; F299-Q509 HydrophobicContact CZ-CG 3.66Å; F299-Q509 PolarHBondContact O-NE2 2.88Å
300	K	90.9	Very high	91.9	Very high	65 Å²	65	22.8 Å²	22.8	28%	0.283	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.6	170.2	-68.5	163.7	-160.9	162.6	0	112.8	A296 D297 L298 S512	A296-K300 WeakPolarHBondContact O-CB 3.49Å; A296-K300 WeakPolarHBondContact O-CD 3.49Å; A296-K300 WeakPolarHBondContact O-CG 3.07Å; A296-K300 PolarHBondContact O-N 3.43Å; D297-K300 IonicContact OD1-NZ 3.38Å; D297-K300 PolarHBondContact OD1-NZ 3.21Å; L298-K300 PolarHBondContact O-N 3.48Å; K300-S512 VanDerWaalsContact CE-O 3.23Å; K300-S512 WeakPolarHBondContact CE-O 3.46Å; K300-S512 WeakPolarHBondContact CG-OG 3.49Å
301	K	90.6	Very high	91.4	Very high	135 Å²	135	23.8 Å²	23.8	59%	0.587	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	0.4	179.8	-62.3	170.8	-166.9	157.2	0	113.4	D297 L298 F299 V303 T326	D297-K301 WeakPolarHBondContact O-CD 3.44Å; D297-K301 WeakPolarHBondContact O-CE 3.38Å; D297-K301 VanDerWaalsContact O-CG 3.3Å; D297-K301 WeakPolarHBondContact O-CG 3.46Å; D297-K301 PolarHBondContact O-NZ 2.84Å; L298-K301 CarbonylContact O-C 3.26Å; L298-K301 WeakPolarHBondContact O-CA 3.25Å; L298-K301 WeakPolarHBondContact O-CB 3.5Å; L298-K301 PolarHBondContact O-N 3.23Å; F299-K301 PolarHBondContact O-N 2.76Å; K301-V303 PolarHBondContact O-N 3.14Å; K301-T326 WeakPolarHBondContact O-CB 3.19Å; K301-T326 VanDerWaalsContact O-CG2 3.24Å; K301-T326 WeakPolarHBondContact O-CG2 3.45Å
302	V	91.2	Very high	91.1	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	12%	0.12	C	C	.	.			trans	-65.3	108	175.1	165.7	0	0	0	0	109.8	L298 F299 P304 I327 L467 Q509	L298-V302 PolarHBondContact O-N 3.15Å; F299-V302 HydrophobicContact CD2-CG2 4.26Å; F299-V302 WeakPolarHBondContact O-CB 3.38Å; F299-V302 PolarHBondContact O-N 3.33Å; F299-V302 VanDerWaalsContact O-N 3.1Å; V302-P304 WeakPolarHBondContact O-CD 3.41Å; V302-I327 HydrophobicContact CG1-CD1 3.65Å; V302-I327 HydrophobicContact CG2-CD1 4.37Å; V302-L467 HydrophobicContact CG2-CD2 4.3Å; V302-Q509 PolarHBondContact O-NE2 3.34Å
303	V	88.3	Confident	90.8	Very high	26 Å²	26	26.7 Å²	26.7	16%	0.158	14%	0.137	C	C	.	.			trans	-74.6	110.9	172.9	166.8	0	0	0	0	108.1	E205 K301 Y305 H306 T326	E205-V303 HydrophobicContact CG-CG2 4.32Å; K301-V303 PolarHBondContact O-N 3.14Å; V303-Y305 VanDerWaalsContact C-N 3.34Å; V303-Y305 HydrophobicContact CG1-CD1 3.48Å; V303-Y305 VanDerWaalsContact CG1-CD1 3.48Å; V303-Y305 HydrophobicContact CG1-CE1 3.14Å; V303-Y305 HydrophobicContact CG1-CE2 4.33Å; V303-Y305 HydrophobicContact CG1-CG 4.21Å; V303-Y305 PolarHBondContact O-N 3.19Å; V303-H306 VanDerWaalsContact O-CB 3.29Å; V303-H306 WeakPolarHBondContact O-CB 3.39Å; V303-H306 PolarHBondContact O-N 3.08Å; V303-T326 HydrophobicContact CB-CG2 4.3Å; V303-T326 HydrophobicContact CG2-CG2 4.11Å; V303-T326 PolarHBondContact N-OG1 3.14Å
304	P	84.8	Confident	90.3	Very high	17 Å²	17	28.3 Å²	28.3	11%	0.11	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-70.1	-23.6	-158.1	-25.3	36.8	0	0	0	115.5	V302 H306 C307 I502 K506	V302-P304 WeakPolarHBondContact O-CD 3.41Å; P304-H306 PolarHBondContact O-N 3.29Å; P304-C307 WeakPolarHBondContact O-CB 3.15Å; P304-C307 PolarHBondContact O-N 2.79Å; P304-I502 HydrophobicContact CB-CD1 4.36Å; P304-I502 HydrophobicContact CB-CG2 3.54Å; P304-I502 WeakPolarHBondContact O-CD1 3.47Å; P304-K506 HydrophobicContact CB-CG 4.46Å; P304-K506 HydrophobicContact CG-CG 3.91Å
305	Y	83.8	Confident	89.9	Confident	41 Å²	41	28 Å²	28	16%	0.161	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-66	-19.8	175.1	72.1	-106	0	0	0	112.6	R150 V303 C307 L308 I311	R150-Y305 VanDerWaalsContact CD-CD1 3.47Å; R150-Y305 VanDerWaalsContact CD-CE1 3.5Å; R150-Y305 VanDerWaalsContact CZ-CD1 3.46Å; R150-Y305 VanDerWaalsContact NE-CD1 3.27Å; R150-Y305 VanDerWaalsContact NE-CE1 3.3Å; V303-Y305 VanDerWaalsContact C-N 3.34Å; V303-Y305 HydrophobicContact CG1-CD1 3.48Å; V303-Y305 VanDerWaalsContact CG1-CD1 3.48Å; V303-Y305 HydrophobicContact CG1-CE1 3.14Å; V303-Y305 HydrophobicContact CG1-CE2 4.33Å; V303-Y305 HydrophobicContact CG1-CG 4.21Å; V303-Y305 PolarHBondContact O-N 3.19Å; Y305-C307 PolarHBondContact O-N 2.66Å; Y305-L308 WeakPolarHBondContact O-CB 3.39Å; Y305-L308 WeakPolarHBondContact O-CG 3.37Å; Y305-L308 PolarHBondContact O-N 3.01Å; Y305-I311 HydrophobicContact CD2-CD1 4.21Å
306	H	89.9	Confident	89.2	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.102	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-65.9	-19.3	172.4	-66.7	155.8	0	0	0	113.3	V303 P304 A324 T326 I327	V303-H306 VanDerWaalsContact O-CB 3.29Å; V303-H306 WeakPolarHBondContact O-CB 3.39Å; V303-H306 PolarHBondContact O-N 3.08Å; P304-H306 PolarHBondContact O-N 3.29Å; H306-A324 HydrophobicContact CB-CB 3.79Å; H306-T326 PolarHBondContact ND1-OG1 2.87Å; H306-I327 HydrophobicContact CB-CD1 4.01Å; H306-I327 HydrophobicContact CB-CG1 3.56Å
307	C	91.2	Very high	88.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-78.4	-17.1	176.4	-55.8	0	0	0	0	113.4	P304 Y305 G309 I327 L471 L474 I502 I505	P304-C307 WeakPolarHBondContact O-CB 3.15Å; P304-C307 PolarHBondContact O-N 2.79Å; Y305-C307 PolarHBondContact O-N 2.66Å; C307-G309 PolarHBondContact O-N 3.24Å; C307-I327 WeakPolarHBondContact SG-CD1 3.4Å; C307-L471 HydrophobicContact CB-CD2 3.89Å; C307-L474 HydrophobicContact CB-CD1 3.76Å; C307-L474 VanDerWaalsContact O-CD1 3.27Å; C307-L474 WeakPolarHBondContact O-CD1 3.33Å; C307-I502 HydrophobicContact CB-CD1 3.75Å; C307-I505 HydrophobicContact CB-CD1 4.17Å
308	L	90.8	Very high	88.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.			trans	-58.3	133.8	-175	-65.6	172.3	0	0	0	110.6	Y305 G310 I311 W312 E498 I502	Y305-L308 WeakPolarHBondContact O-CB 3.39Å; Y305-L308 WeakPolarHBondContact O-CG 3.37Å; Y305-L308 PolarHBondContact O-N 3.01Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.96Å; L308-I311 HydrophobicContact CB-CD1 4.49Å; L308-I311 HydrophobicContact CD1-CD1 4.4Å; L308-I311 WeakPolarHBondContact O-CA 3.35Å; L308-I311 PolarHBondContact O-N 3.33Å; L308-W312 PolarHBondContact O-N 3.45Å; L308-E498 HydrophobicContact CD2-CB 3.85Å; L308-E498 HydrophobicContact CD2-CG 4.26Å; L308-I502 HydrophobicContact CD2-CD1 4.45Å; L308-I502 HydrophobicContact CD2-CG1 4.14Å
309	G	89.1	Confident	87.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-43.1	-172.5	0	0	0	0	0	112.8	C307 I311 W312 S313 L474	C307-G309 PolarHBondContact O-N 3.24Å; G309-I311 PolarHBondContact O-N 3.42Å; G309-I311 VanDerWaalsContact O-N 3.1Å; G309-W312 PolarHBondContact O-N 2.75Å; G309-S313 WeakPolarHBondContact O-CB 3.29Å; G309-S313 PolarHBondContact O-N 2.8Å; G309-S313 PolarHBondContact O-OG 3.29Å; G309-L474 WeakPolarHBondContact CA-O 3.3Å
310	G	85.4	Confident	86.8	Confident	15 Å²	15	48.7 Å²	48.7	16%	0.155	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-10.6	177.3	0	0	0	0	0	115.1	L308 Q314 D478	L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.96Å; G310-Q314 WeakPolarHBondContact O-CG 3.39Å; G310-Q314 PolarHBondContact O-NE2 2.79Å; G310-D478 WeakPolarHBondContact CA-OD1 3.45Å; G310-D478 VanDerWaalsContact CA-OD2 3.25Å; G310-D478 WeakPolarHBondContact CA-OD2 3.49Å; G310-D478 PolarHBondContact N-OD1 3.2Å; G310-D478 PolarHBondContact N-OD2 3.27Å; G310-D478 VanDerWaalsContact N-OD2 3.14Å
311	I	87.8	Confident	86.1	Confident	22 Å²	22	51 Å²	51	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-102.8	-50.9	172.1	-66.9	174	0	0	0	109.9	Y305 L308 G309 S313 Q314 L323	Y305-I311 HydrophobicContact CD2-CD1 4.21Å; L308-I311 HydrophobicContact CB-CD1 4.49Å; L308-I311 HydrophobicContact CD1-CD1 4.4Å; L308-I311 WeakPolarHBondContact O-CA 3.35Å; L308-I311 PolarHBondContact O-N 3.33Å; G309-I311 PolarHBondContact O-N 3.42Å; G309-I311 VanDerWaalsContact O-N 3.1Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.48Å; I311-Q314 PolarHBondContact O-N 2.82Å; I311-L323 HydrophobicContact CG2-CD1 4.49Å
312	W	90.6	Very high	85.6	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.045	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-30.9	-177.5	-178	-118.3	0	0	0	113.5	L308 G309 Q314 R315 A324 I327 R328 V331 L471	L308-W312 PolarHBondContact O-N 3.45Å; G309-W312 PolarHBondContact O-N 2.75Å; W312-Q314 PolarHBondContact O-N 3.41Å; W312-R315 HydrophobicContact CE3-CB 4.36Å; W312-R315 HydrophobicContact CZ3-CB 4.48Å; W312-R315 WeakPolarHBondContact O-CD 3.36Å; W312-R315 VanDerWaalsContact O-CG 3.26Å; W312-R315 WeakPolarHBondContact O-CG 3.28Å; W312-R315 PolarHBondContact O-NH1 2.89Å; W312-A324 HydrophobicContact CE3-CB 3.77Å; W312-A324 HydrophobicContact CZ3-CB 4.05Å; W312-I327 HydrophobicContact CD2-CG2 4.3Å; W312-I327 HydrophobicContact CE3-CB 4.11Å; W312-I327 HydrophobicContact CE3-CG2 3.83Å; W312-I327 HydrophobicContact CH2-CB 4.34Å; W312-I327 HydrophobicContact CH2-CG2 3.71Å; W312-I327 HydrophobicContact CZ2-CG2 4.17Å; W312-I327 HydrophobicContact CZ3-CB 3.75Å; W312-I327 HydrophobicContact CZ3-CG2 3.52Å; W312-R328 HydrophobicContact CZ3-CG 4.32Å; W312-V331 HydrophobicContact CH2-CG2 4.31Å; W312-V331 HydrophobicContact CZ2-CG2 4.49Å; W312-L471 HydrophobicContact CD2-CD2 4.29Å; W312-L471 HydrophobicContact CG-CD2 4.02Å; W312-L471 HydrophobicContact CZ2-CD1 4.17Å
313	S	87.7	Confident	85.1	Confident	49 Å²	49	53 Å²	53	34%	0.343	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.8	173.1	67.9	0	0	0	0	113.7	G309 I311	G309-S313 WeakPolarHBondContact O-CB 3.29Å; G309-S313 PolarHBondContact O-N 2.8Å; G309-S313 PolarHBondContact O-OG 3.29Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.48Å
314	Q	85.1	Confident	85	Confident	53 Å²	53	51.8 Å²	51.8	25%	0.248	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.8	-177.8	-56.9	-161.1	46.5	0	0	113.8	G310 I311 W312 D316 K317 K320 L323	G310-Q314 WeakPolarHBondContact O-CG 3.39Å; G310-Q314 PolarHBondContact O-NE2 2.79Å; I311-Q314 PolarHBondContact O-N 2.82Å; W312-Q314 PolarHBondContact O-N 3.41Å; Q314-D316 PolarHBondContact O-N 2.84Å; Q314-D316 VanDerWaalsContact O-N 3.14Å; Q314-K317 HydrophobicContact CB-CD 4.12Å; Q314-K317 HydrophobicContact CG-CD 4.27Å; Q314-K317 WeakPolarHBondContact O-CB 3.34Å; Q314-K317 PolarHBondContact O-N 3.07Å; Q314-K320 HydrophobicContact CB-CD 4.22Å; Q314-L323 HydrophobicContact CB-CD1 3.93Å
315	R	86.9	Confident	85.2	Confident	27 Å²	27	54.4 Å²	54.4	10%	0.102	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.2	-173.7	75.6	-173.3	-177.8	-104	-14.6	114.1	W312 R328	W312-R315 HydrophobicContact CE3-CB 4.36Å; W312-R315 HydrophobicContact CZ3-CB 4.48Å; W312-R315 WeakPolarHBondContact O-CD 3.36Å; W312-R315 VanDerWaalsContact O-CG 3.26Å; W312-R315 WeakPolarHBondContact O-CG 3.28Å; W312-R315 PolarHBondContact O-NH1 2.89Å; R315-R328 PolarHBondContact O-NH2 2.99Å
316	D	83.3	Confident	85.6	Confident	82 Å²	82	53.8 Å²	53.8	44%	0.439	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	7.8	-175.3	-56.8	-38.1	0	0	0	112.5	Q314 R328	Q314-D316 PolarHBondContact O-N 2.84Å; Q314-D316 VanDerWaalsContact O-N 3.14Å; D316-R328 IonicContact OD1-NH2 3.99Å; D316-R328 PolarHBondContact OD1-NH2 3.35Å
317	K	85.9	Confident	85.7	Confident	114 Å²	114	52.8 Å²	52.8	50%	0.496	27%	0.274	S	S	.	.	S	Bend	trans	-80.1	132.4	172.2	-64.1	178.1	-179.7	176	0	108.8	Q314 G319 K320	Q314-K317 HydrophobicContact CB-CD 4.12Å; Q314-K317 HydrophobicContact CG-CD 4.27Å; Q314-K317 WeakPolarHBondContact O-CB 3.34Å; Q314-K317 PolarHBondContact O-N 3.07Å; K317-G319 PolarHBondContact O-N 2.97Å; K317-K320 HydrophobicContact CB-CB 4.43Å; K317-K320 HydrophobicContact CB-CD 4.39Å; K317-K320 WeakPolarHBondContact O-CA 3.4Å; K317-K320 VanDerWaalsContact O-CB 3.31Å; K317-K320 WeakPolarHBondContact O-CB 3.31Å; K317-K320 PolarHBondContact O-N 3.28Å
318	K	80	Confident	85.8	Confident	204 Å²	204	56.5 Å²	56.5	89%	0.887	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	128.4	-176.3	-165.2	172	-171	173	0	112	K320	K318-K320 VanDerWaalsContact C-N 3.29Å
319	G	77.5	Confident	86	Confident	49 Å²	49	58.3 Å²	58.3	51%	0.505	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	0.4	-175.4	0	0	0	0	0	114.8	K317 E321 H322	K317-G319 PolarHBondContact O-N 2.97Å; G319-E321 PolarHBondContact N-OE1 2.89Å; G319-H322 PolarHBondContact O-CE1 2.64Å; G319-H322 PolarHBondContact O-ND1 3.4Å
320	K	81.4	Confident	86.3	Confident	85 Å²	85	58.9 Å²	58.9	37%	0.37	31%	0.306	S	S	.	.			trans	-112.3	15	173.4	-64.3	-169.3	173.1	-161.4	0	113	Q314 K317 K318 H322 L323	Q314-K320 HydrophobicContact CB-CD 4.22Å; K317-K320 HydrophobicContact CB-CB 4.43Å; K317-K320 HydrophobicContact CB-CD 4.39Å; K317-K320 WeakPolarHBondContact O-CA 3.4Å; K317-K320 VanDerWaalsContact O-CB 3.31Å; K317-K320 WeakPolarHBondContact O-CB 3.31Å; K317-K320 PolarHBondContact O-N 3.28Å; K318-K320 VanDerWaalsContact C-N 3.29Å; K320-H322 PolarHBondContact O-N 3.25Å; K320-L323 HydrophobicContact CB-CD1 3.86Å; K320-L323 HydrophobicContact CB-CG 4.04Å; K320-L323 HydrophobicContact CD-CD1 4.02Å; K320-L323 HydrophobicContact CG-CD1 4.32Å; K320-L323 VanDerWaalsContact O-CB 3.3Å; K320-L323 WeakPolarHBondContact O-CB 3.27Å; K320-L323 WeakPolarHBondContact O-CG 3.21Å; K320-L323 PolarHBondContact O-N 2.95Å
321	E	77.4	Confident	86.7	Confident	114 Å²	114	59.8 Å²	59.8	53%	0.533	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.1	176.7	-66.1	122.7	-112.9	0	0	112.7	G319 L323 R328	G319-E321 PolarHBondContact N-OE1 2.89Å; E321-L323 PolarHBondContact O-N 2.88Å; E321-R328 PolarHBondContact O-NE 2.66Å
322	H	78.6	Confident	87.1	Confident	138 Å²	138	61.2 Å²	61.2	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.3	176	66.9	-98.1	0	0	0	114.6	G319 K320	G319-H322 PolarHBondContact O-CE1 2.64Å; G319-H322 PolarHBondContact O-ND1 3.4Å; K320-H322 PolarHBondContact O-N 3.25Å
323	L	81.3	Confident	87.4	Confident	41 Å²	41	61.5 Å²	61.5	22%	0.215	33%	0.326	C	S	.	.	S	Bend	trans	-71.4	145.2	174	-67.6	-174.3	0	0	0	111.6	I311 Q314 K320 E321	I311-L323 HydrophobicContact CG2-CD1 4.49Å; Q314-L323 HydrophobicContact CB-CD1 3.93Å; K320-L323 HydrophobicContact CB-CD1 3.86Å; K320-L323 HydrophobicContact CB-CG 4.04Å; K320-L323 HydrophobicContact CD-CD1 4.02Å; K320-L323 HydrophobicContact CG-CD1 4.32Å; K320-L323 VanDerWaalsContact O-CB 3.3Å; K320-L323 WeakPolarHBondContact O-CB 3.27Å; K320-L323 WeakPolarHBondContact O-CG 3.21Å; K320-L323 PolarHBondContact O-N 2.95Å; E321-L323 PolarHBondContact O-N 2.88Å
324	A	85.9	Confident	87.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	31%	0.314	C	S	.	.	S	Bend	trans	54.4	45.7	174.2	0	0	0	0	0	115.5	H306 W312 T326 I327 R328	H306-A324 HydrophobicContact CB-CB 3.79Å; W312-A324 HydrophobicContact CE3-CB 3.77Å; W312-A324 HydrophobicContact CZ3-CB 4.05Å; A324-T326 VanDerWaalsContact C-N 3.27Å; A324-T326 PolarHBondContact O-N 3.35Å; A324-I327 HydrophobicContact CB-CB 4.1Å; A324-I327 HydrophobicContact CB-CG1 3.87Å; A324-I327 WeakPolarHBondContact O-CB 3.38Å; A324-I327 PolarHBondContact O-N 2.78Å; A324-R328 PolarHBondContact O-N 3.06Å
325	P	89.6	Confident	88.3	Confident	72 Å²	72	60.2 Å²	60.2	47%	0.468	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-35.8	-173.6	25.3	-34.9	0	0	0	112.9	I327 R328 A329	P325-I327 VanDerWaalsContact C-N 3.29Å; P325-I327 PolarHBondContact O-N 2.92Å; P325-R328 PolarHBondContact O-N 3.32Å; P325-A329 WeakPolarHBondContact O-CB 3.3Å; P325-A329 PolarHBondContact O-N 3.18Å
326	T	91.4	Very high	88.8	Confident	29 Å²	29	60.4 Å²	60.4	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-30.3	177.3	62.4	0	0	0	0	112.7	K301 V303 H306 A324 T330	K301-T326 WeakPolarHBondContact O-CB 3.19Å; K301-T326 VanDerWaalsContact O-CG2 3.24Å; K301-T326 WeakPolarHBondContact O-CG2 3.45Å; V303-T326 HydrophobicContact CB-CG2 4.3Å; V303-T326 HydrophobicContact CG2-CG2 4.11Å; V303-T326 PolarHBondContact N-OG1 3.14Å; H306-T326 PolarHBondContact ND1-OG1 2.87Å; A324-T326 VanDerWaalsContact C-N 3.27Å; A324-T326 PolarHBondContact O-N 3.35Å; T326-T330 PolarHBondContact O-N 3.21Å; T326-T330 PolarHBondContact O-OG1 2.9Å; T326-T330 VanDerWaalsContact O-OG1 3.05Å
327	I	93.4	Very high	89.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-45	176	-45.5	-59.1	0	0	0	109.5	V302 H306 C307 W312 A324 P325 A329 T330 V331 L467 L471	V302-I327 HydrophobicContact CG1-CD1 3.65Å; V302-I327 HydrophobicContact CG2-CD1 4.37Å; H306-I327 HydrophobicContact CB-CD1 4.01Å; H306-I327 HydrophobicContact CB-CG1 3.56Å; C307-I327 WeakPolarHBondContact SG-CD1 3.4Å; W312-I327 HydrophobicContact CD2-CG2 4.3Å; W312-I327 HydrophobicContact CE3-CB 4.11Å; W312-I327 HydrophobicContact CE3-CG2 3.83Å; W312-I327 HydrophobicContact CH2-CB 4.34Å; W312-I327 HydrophobicContact CH2-CG2 3.71Å; W312-I327 HydrophobicContact CZ2-CG2 4.17Å; W312-I327 HydrophobicContact CZ3-CB 3.75Å; W312-I327 HydrophobicContact CZ3-CG2 3.52Å; A324-I327 HydrophobicContact CB-CB 4.1Å; A324-I327 HydrophobicContact CB-CG1 3.87Å; A324-I327 WeakPolarHBondContact O-CB 3.38Å; A324-I327 PolarHBondContact O-N 2.78Å; P325-I327 VanDerWaalsContact C-N 3.29Å; P325-I327 PolarHBondContact O-N 2.92Å; I327-A329 VanDerWaalsContact C-N 3.26Å; I327-A329 PolarHBondContact O-N 3.35Å; I327-T330 PolarHBondContact O-N 3.28Å; I327-T330 VanDerWaalsContact O-N 3.12Å; I327-V331 WeakPolarHBondContact O-CG2 3.39Å; I327-V331 PolarHBondContact O-N 2.8Å; I327-L467 HydrophobicContact CD1-CD2 4.09Å; I327-L467 HydrophobicContact CG2-CD2 4.19Å; I327-L471 HydrophobicContact CG2-CD1 3.69Å; I327-L471 HydrophobicContact CG2-CD2 4.18Å
328	R	92.5	Very high	90.1	Very high	79 Å²	79	52.1 Å²	52.1	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-54.6	-41.4	173.3	-71.4	-173.2	169.6	-74.9	1.3	111.6	W312 R315 D316 E321 A324 P325 V331 A332	W312-R328 HydrophobicContact CZ3-CG 4.32Å; R315-R328 PolarHBondContact O-NH2 2.99Å; D316-R328 IonicContact OD1-NH2 3.99Å; D316-R328 PolarHBondContact OD1-NH2 3.35Å; E321-R328 PolarHBondContact O-NE 2.66Å; A324-R328 PolarHBondContact O-N 3.06Å; P325-R328 PolarHBondContact O-N 3.32Å; R328-V331 PolarHBondContact O-N 2.8Å; R328-A332 WeakPolarHBondContact O-CB 3.48Å; R328-A332 PolarHBondContact O-N 3.27Å
329	A	94.6	Very high	90.9	Very high	39 Å²	39	43.8 Å²	43.8	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-44.2	175.7	0	0	0	0	0	113	L298 P325 I327 A332 Q333	L298-A329 HydrophobicContact CD2-CB 4.1Å; P325-A329 WeakPolarHBondContact O-CB 3.3Å; P325-A329 PolarHBondContact O-N 3.18Å; I327-A329 VanDerWaalsContact C-N 3.26Å; I327-A329 PolarHBondContact O-N 3.35Å; A329-A332 PolarHBondContact O-N 3.09Å; A329-Q333 PolarHBondContact O-N 3.44Å
330	T	95.8	Very high	91.8	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-40.8	176.6	-52.5	0	0	0	0	111.6	T326 I327 Q333 F334 L467	T326-T330 PolarHBondContact O-N 3.21Å; T326-T330 PolarHBondContact O-OG1 2.9Å; T326-T330 VanDerWaalsContact O-OG1 3.05Å; I327-T330 PolarHBondContact O-N 3.28Å; I327-T330 VanDerWaalsContact O-N 3.12Å; T330-Q333 PolarHBondContact O-N 3.23Å; T330-F334 PolarHBondContact O-N 3.24Å; T330-L467 HydrophobicContact CG2-CD2 4.25Å
331	V	94.4	Very high	92.5	Very high	34 Å²	34	37.5 Å²	37.5	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-38.3	175.3	174.4	0	0	0	0	111.6	W312 I327 R328 Q333 F334 N335	W312-V331 HydrophobicContact CH2-CG2 4.31Å; W312-V331 HydrophobicContact CZ2-CG2 4.49Å; I327-V331 WeakPolarHBondContact O-CG2 3.39Å; I327-V331 PolarHBondContact O-N 2.8Å; R328-V331 PolarHBondContact O-N 2.8Å; V331-Q333 PolarHBondContact O-N 2.6Å; V331-F334 PolarHBondContact O-N 3.23Å; V331-N335 WeakPolarHBondContact O-CB 3.27Å; V331-N335 VanDerWaalsContact O-CG 3.28Å; V331-N335 PolarHBondContact O-N 2.93Å
332	A	95.1	Very high	93.4	Very high	52 Å²	52	33 Å²	33	43%	0.43	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-37.5	175.9	0	0	0	0	0	112.7	R328 A329 S336	R328-A332 WeakPolarHBondContact O-CB 3.48Å; R328-A332 PolarHBondContact O-N 3.27Å; A329-A332 PolarHBondContact O-N 3.09Å; A332-S336 WeakPolarHBondContact O-CB 3.44Å; A332-S336 PolarHBondContact O-N 3.15Å; A332-S336 PolarHBondContact O-OG 3.09Å
333	Q	96.8	Very high	94.2	Very high	18 Å²	18	26.5 Å²	26.5	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-50.1	171.4	175.4	62.6	13.8	0	0	111.3	D295 L298 A329 T330 V331 N335 S336 V337	D295-Q333 WeakPolarHBondContact OD1-CG 3.33Å; L298-Q333 HydrophobicContact CD1-CB 3.42Å; L298-Q333 VanDerWaalsContact CD1-CB 3.42Å; L298-Q333 HydrophobicContact CD1-CG 3.85Å; A329-Q333 PolarHBondContact O-N 3.44Å; T330-Q333 PolarHBondContact O-N 3.23Å; V331-Q333 PolarHBondContact O-N 2.6Å; Q333-N335 VanDerWaalsContact C-N 3.29Å; Q333-N335 PolarHBondContact O-N 3.22Å; Q333-S336 WeakPolarHBondContact O-CA 3.45Å; Q333-S336 WeakPolarHBondContact O-CB 3.29Å; Q333-S336 PolarHBondContact O-N 3.36Å; Q333-V337 WeakPolarHBondContact O-CG2 3.24Å; Q333-V337 PolarHBondContact O-N 3.4Å
334	F	97.1	Very high	94.8	Very high	23 Å²	23	25.3 Å²	25.3	10%	0.101	15%	0.151	C	C	.	.	H	α-helix	trans	-54.3	-45.3	176.7	178.6	-83.4	0	0	0	112.1	T330 V331 S336 V337 T338 R380 A381 Y466	T330-F334 PolarHBondContact O-N 3.24Å; V331-F334 PolarHBondContact O-N 3.23Å; F334-S336 VanDerWaalsContact C-N 3.35Å; F334-V337 PolarHBondContact O-N 2.98Å; F334-T338 WeakPolarHBondContact O-CB 3.49Å; F334-T338 PolarHBondContact O-N 3.07Å; F334-T338 PolarHBondContact O-OG1 3.08Å; F334-R380 HydrophobicContact CE2-CB 4.05Å; F334-R380 HydrophobicContact CE2-CG 4.14Å; F334-R380 HydrophobicContact CZ-CG 4.21Å; F334-A381 HydrophobicContact CD2-CB 3.76Å; F334-A381 HydrophobicContact CE1-CB 4.47Å; F334-A381 HydrophobicContact CE2-CB 3.65Å; F334-A381 VanDerWaalsContact CE2-N 3.32Å; F334-A381 HydrophobicContact CG-CB 4.23Å; F334-A381 HydrophobicContact CZ-CB 4.02Å; F334-Y466 HydrophobicContact CD2-CD2 4.07Å; F334-Y466 HydrophobicContact CD2-CE2 4.01Å; F334-Y466 HydrophobicContact CE1-CE2 4.47Å; F334-Y466 AromaticContact CE2-CD2 3.62Å; F334-Y466 HydrophobicContact CE2-CD2 3.62Å; F334-Y466 AromaticContact CE2-CE2 3.47Å; F334-Y466 HydrophobicContact CE2-CE2 3.47Å; F334-Y466 VanDerWaalsContact CE2-CE2 3.47Å; F334-Y466 HydrophobicContact CZ-CD2 4.33Å; F334-Y466 AromaticContact CZ-CE2 3.76Å; F334-Y466 HydrophobicContact CZ-CE2 3.76Å
335	N	95.9	Very high	95.3	Very high	52 Å²	52	25.2 Å²	25.2	28%	0.278	15%	0.151	S	C	.	.	H	α-helix	trans	-66.4	-34.9	176.3	-72	-6.2	0	0	0	112.1	V331 Q333 T338 N339	V331-N335 WeakPolarHBondContact O-CB 3.27Å; V331-N335 VanDerWaalsContact O-CG 3.28Å; V331-N335 PolarHBondContact O-N 2.93Å; Q333-N335 VanDerWaalsContact C-N 3.29Å; Q333-N335 PolarHBondContact O-N 3.22Å; N335-T338 PolarHBondContact O-N 3.41Å; N335-N339 VanDerWaalsContact O-CB 3.22Å; N335-N339 WeakPolarHBondContact O-CB 3.24Å; N335-N339 PolarHBondContact O-N 2.97Å
336	S	97	Very high	95.5	Very high	32 Å²	32	21.8 Å²	21.8	22%	0.224	13%	0.128	C	C	.	.	H	α-helix	trans	-70.1	-38.8	177.3	-58.4	0	0	0	0	112.2	A332 Q333 F334 N339 C340	A332-S336 WeakPolarHBondContact O-CB 3.44Å; A332-S336 PolarHBondContact O-N 3.15Å; A332-S336 PolarHBondContact O-OG 3.09Å; Q333-S336 WeakPolarHBondContact O-CA 3.45Å; Q333-S336 WeakPolarHBondContact O-CB 3.29Å; Q333-S336 PolarHBondContact O-N 3.36Å; F334-S336 VanDerWaalsContact C-N 3.35Å; S336-N339 PolarHBondContact O-N 3.2Å; S336-C340 VanDerWaalsContact O-CB 3.3Å; S336-C340 WeakPolarHBondContact O-CB 3.34Å; S336-C340 PolarHBondContact O-N 3.29Å
337	V	97.8	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-47.3	171.6	178.5	0	0	0	0	110.3	F291 Q333 F334 N339 C340 V341 A381 I382 F527	F291-V337 HydrophobicContact CD1-CG2 3.72Å; F291-V337 HydrophobicContact CE1-CG1 4.31Å; F291-V337 HydrophobicContact CE1-CG2 3.75Å; F291-V337 HydrophobicContact CE2-CG1 4.37Å; F291-V337 HydrophobicContact CG-CG2 4.42Å; F291-V337 HydrophobicContact CZ-CG1 4.22Å; F291-V337 HydrophobicContact CZ-CG2 4.45Å; Q333-V337 WeakPolarHBondContact O-CG2 3.24Å; Q333-V337 PolarHBondContact O-N 3.4Å; F334-V337 PolarHBondContact O-N 2.98Å; V337-N339 VanDerWaalsContact C-N 3.32Å; V337-N339 PolarHBondContact O-N 3.35Å; V337-C340 PolarHBondContact O-N 2.84Å; V337-V341 VanDerWaalsContact O-CG2 3.28Å; V337-V341 WeakPolarHBondContact O-CG2 3.43Å; V337-V341 PolarHBondContact O-N 3.43Å; V337-V341 VanDerWaalsContact O-N 3.12Å; V337-A381 HydrophobicContact CB-CB 4.01Å; V337-A381 HydrophobicContact CG1-CB 3.85Å; V337-I382 HydrophobicContact CG1-CG1 4.07Å; V337-F527 HydrophobicContact CG2-CZ 4.23Å
338	T	97.7	Very high	94.7	Very high	22 Å²	22	28.1 Å²	28.1	14%	0.135	17%	0.167	C	C	.	.	H	α-helix	trans	-56.9	-45.3	176.6	-58	0	0	0	0	111.4	F334 N335 V341 I342 A381 A385	F334-T338 WeakPolarHBondContact O-CB 3.49Å; F334-T338 PolarHBondContact O-N 3.07Å; F334-T338 PolarHBondContact O-OG1 3.08Å; N335-T338 PolarHBondContact O-N 3.41Å; T338-V341 PolarHBondContact O-N 3.03Å; T338-I342 HydrophobicContact CG2-CD1 4.22Å; T338-I342 WeakPolarHBondContact O-CG1 3.38Å; T338-I342 PolarHBondContact O-N 3.3Å; T338-A381 WeakPolarHBondContact OG1-CB 3.4Å; T338-A381 PolarHBondContact OG1-O 3.35Å; T338-A385 HydrophobicContact CG2-CB 3.93Å; T338-A385 WeakPolarHBondContact O-CB 3.42Å
339	N	96.7	Very high	94.3	Very high	29 Å²	29	27.1 Å²	27.1	16%	0.155	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-45.9	178.7	-168.2	-80.7	0	0	0	111.8	N335 S336 V337 V341 I342 T343 E531 K532 L533	N335-N339 VanDerWaalsContact O-CB 3.22Å; N335-N339 WeakPolarHBondContact O-CB 3.24Å; N335-N339 PolarHBondContact O-N 2.97Å; S336-N339 PolarHBondContact O-N 3.2Å; V337-N339 VanDerWaalsContact C-N 3.32Å; V337-N339 PolarHBondContact O-N 3.35Å; N339-V341 VanDerWaalsContact C-N 3.27Å; N339-V341 PolarHBondContact O-N 3.49Å; N339-I342 CarbonylContact O-C 3.56Å; N339-I342 PolarHBondContact O-N 3.12Å; N339-T343 PolarHBondContact O-N 3.39Å; N339-T343 PolarHBondContact O-OG1 3.39Å; N339-T343 PolarHBondContact OD1-OG1 3.31Å; N339-E531 PolarHBondContact OD1-O 3.41Å; N339-K532 WeakPolarHBondContact OD1-CA 3.49Å; N339-L533 PolarHBondContact ND2-O 2.91Å
340	C	96.6	Very high	93.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-54.5	-41.3	176.6	175.9	0	0	0	0	112.7	S336 V337 T344 W526 F527 V530	S336-C340 VanDerWaalsContact O-CB 3.3Å; S336-C340 WeakPolarHBondContact O-CB 3.34Å; S336-C340 PolarHBondContact O-N 3.29Å; V337-C340 PolarHBondContact O-N 2.84Å; C340-T344 WeakPolarHBondContact O-CB 3.33Å; C340-T344 VanDerWaalsContact O-CG2 3.26Å; C340-T344 WeakPolarHBondContact O-CG2 3.43Å; C340-T344 PolarHBondContact O-N 2.86Å; C340-T344 PolarHBondContact O-OG1 3.39Å; C340-W526 VanDerWaalsContact SG-CH2 3.55Å; C340-F527 HydrophobicContact CB-CD2 4.12Å; C340-F527 HydrophobicContact CB-CE2 3.63Å; C340-V530 HydrophobicContact CB-CG1 4.42Å
341	V	97.4	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-45.1	175.3	177.9	0	0	0	0	111.6	V337 T338 N339 T344 C345 W363 I382 A385 L386	V337-V341 VanDerWaalsContact O-CG2 3.28Å; V337-V341 WeakPolarHBondContact O-CG2 3.43Å; V337-V341 PolarHBondContact O-N 3.43Å; V337-V341 VanDerWaalsContact O-N 3.12Å; T338-V341 PolarHBondContact O-N 3.03Å; N339-V341 VanDerWaalsContact C-N 3.27Å; N339-V341 PolarHBondContact O-N 3.49Å; V341-T344 PolarHBondContact O-OG1 2.95Å; V341-C345 WeakPolarHBondContact O-CB 3.35Å; V341-C345 PolarHBondContact O-N 2.96Å; V341-C345 PolarHBondContact O-SG 3.05Å; V341-W363 HydrophobicContact CB-CD2 4.25Å; V341-W363 HydrophobicContact CB-CZ2 4.27Å; V341-W363 HydrophobicContact CG1-CB 4.49Å; V341-W363 HydrophobicContact CG1-CD2 4.03Å; V341-W363 HydrophobicContact CG1-CG 3.94Å; V341-W363 HydrophobicContact CG2-CD2 3.72Å; V341-W363 HydrophobicContact CG2-CE3 3.61Å; V341-W363 HydrophobicContact CG2-CG 4.48Å; V341-W363 HydrophobicContact CG2-CH2 3.69Å; V341-W363 HydrophobicContact CG2-CZ2 3.8Å; V341-W363 HydrophobicContact CG2-CZ3 3.58Å; V341-I382 HydrophobicContact CG1-CG2 4.45Å; V341-I382 HydrophobicContact CG2-CB 4.25Å; V341-I382 HydrophobicContact CG2-CG1 3.84Å; V341-I382 HydrophobicContact CG2-CG2 4.18Å; V341-A385 HydrophobicContact CB-CB 3.5Å; V341-A385 VanDerWaalsContact CB-CB 3.5Å; V341-A385 HydrophobicContact CG1-CB 3.43Å; V341-A385 VanDerWaalsContact CG1-CB 3.43Å; V341-A385 HydrophobicContact CG2-CB 4.24Å; V341-L386 HydrophobicContact CG1-CD2 3.97Å; V341-L386 HydrophobicContact CG1-CG 4.17Å
342	I	96.6	Very high	93.6	Very high	18 Å²	18	36.1 Å²	36.1	9%	0.092	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-53.2	177.9	-66.9	169.7	0	0	0	110.7	T338 N339 C345 L346 A385 C388 I391	T338-I342 HydrophobicContact CG2-CD1 4.22Å; T338-I342 WeakPolarHBondContact O-CG1 3.38Å; T338-I342 PolarHBondContact O-N 3.3Å; N339-I342 CarbonylContact O-C 3.56Å; N339-I342 PolarHBondContact O-N 3.12Å; I342-C345 PolarHBondContact O-N 2.97Å; I342-L346 HydrophobicContact CG2-CD1 3.76Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 2.58Å; I342-A385 HydrophobicContact CD1-CB 4.42Å; I342-A385 HydrophobicContact CG1-CB 3.92Å; I342-C388 HydrophobicContact CD1-CB 4.47Å; I342-I391 HydrophobicContact CG1-CG1 4.37Å
343	T	95.1	Very high	93.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-56.1	179.9	-62.1	0	0	0	0	110.2	N339 C345 L346 S347 V530 E531 L533	N339-T343 PolarHBondContact O-N 3.39Å; N339-T343 PolarHBondContact O-OG1 3.39Å; N339-T343 PolarHBondContact OD1-OG1 3.31Å; T343-C345 VanDerWaalsContact C-N 3.26Å; T343-C345 PolarHBondContact O-N 3.32Å; T343-L346 CarbonylContact O-C 3.59Å; T343-L346 WeakPolarHBondContact O-CA 3.4Å; T343-L346 PolarHBondContact O-N 3.35Å; T343-S347 PolarHBondContact O-N 2.8Å; T343-S347 PolarHBondContact O-OG 3.25Å; T343-V530 HydrophobicContact CG2-CG1 3.7Å; T343-E531 HydrophobicContact CG2-CB 4.33Å; T343-E531 WeakPolarHBondContact CG2-O 3.27Å; T343-E531 PolarHBondContact OG1-O 3.4Å; T343-L533 HydrophobicContact CG2-CD1 4.27Å; T343-L533 HydrophobicContact CG2-CG 4.37Å; T343-L533 WeakPolarHBondContact OG1-CG 3.27Å
344	T	94.4	Very high	93.4	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-32.7	-178.5	53.8	0	0	0	0	113.7	F279 C340 V341 L346 W363 W526	F279-T344 HydrophobicContact CB-CG2 4.48Å; C340-T344 WeakPolarHBondContact O-CB 3.33Å; C340-T344 VanDerWaalsContact O-CG2 3.26Å; C340-T344 WeakPolarHBondContact O-CG2 3.43Å; C340-T344 PolarHBondContact O-N 2.86Å; C340-T344 PolarHBondContact O-OG1 3.39Å; V341-T344 PolarHBondContact O-OG1 2.95Å; T344-L346 VanDerWaalsContact C-N 3.28Å; T344-L346 PolarHBondContact O-N 3.18Å; T344-W363 HydrophobicContact CG2-CZ2 4.5Å; T344-W363 PolarHBondContact OG1-NE1 3.05Å; T344-W526 HydrophobicContact CG2-CH2 4.15Å; T344-W526 HydrophobicContact CG2-CZ2 3.76Å
345	C	94.9	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.7	-21.3	174	-70.4	0	0	0	0	113.6	V341 I342 T343 R356 I391	V341-C345 WeakPolarHBondContact O-CB 3.35Å; V341-C345 PolarHBondContact O-N 2.96Å; V341-C345 PolarHBondContact O-SG 3.05Å; I342-C345 PolarHBondContact O-N 2.97Å; T343-C345 VanDerWaalsContact C-N 3.26Å; T343-C345 PolarHBondContact O-N 3.32Å; C345-R356 WeakPolarHBondContact O-CD 3.04Å; C345-R356 WeakPolarHBondContact O-CG 3.23Å; C345-R356 PolarHBondContact O-NH1 3.05Å; C345-I391 HydrophobicContact CB-CD1 3.66Å
346	L	93.7	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-108.7	-27	-175.4	-62.4	174.6	0	0	0	114.1	I342 T343 T344 N348 I391 L394 L533 S538 I545	I342-L346 HydrophobicContact CG2-CD1 3.76Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 2.58Å; T343-L346 CarbonylContact O-C 3.59Å; T343-L346 WeakPolarHBondContact O-CA 3.4Å; T343-L346 PolarHBondContact O-N 3.35Å; T344-L346 VanDerWaalsContact C-N 3.28Å; T344-L346 PolarHBondContact O-N 3.18Å; L346-N348 CarbonylContact O-C 3.6Å; L346-N348 PolarHBondContact O-N 3.42Å; L346-I391 HydrophobicContact CD1-CD1 4.24Å; L346-I391 HydrophobicContact CD2-CD1 4.01Å; L346-I391 HydrophobicContact CG-CD1 3.91Å; L346-L394 HydrophobicContact CD2-CD1 4.22Å; L346-L533 HydrophobicContact CD1-CD1 4.35Å; L346-S538 WeakPolarHBondContact CD1-O 3.38Å; L346-I545 HydrophobicContact CB-CD1 4.41Å; L346-I545 HydrophobicContact CD2-CD1 3.64Å
347	S	83.2	Confident	93.1	Very high	82 Å²	82	37.4 Å²	37.4	57%	0.573	22%	0.217	S	C	*	.	S	Bend	trans	-44.6	-31.6	-163.2	-61.9	0	0	0	0	116.9	T343	T343-S347 PolarHBondContact O-N 2.8Å; T343-S347 PolarHBondContact O-OG 3.25Å
348	N	84.5	Confident	92.9	Very high	79 Å²	79	44.9 Å²	44.9	42%	0.422	25%	0.245	S	C	.	.			trans	-119	105.6	173.1	-179.7	-28.2	0	0	0	109.3	L346 A350 L351 R356	L346-N348 CarbonylContact O-C 3.6Å; L346-N348 PolarHBondContact O-N 3.42Å; N348-A350 VanDerWaalsContact C-N 3.26Å; N348-A350 PolarHBondContact O-N 3.48Å; N348-A350 WeakPolarHBondContact OD1-CA 3.45Å; N348-A350 WeakPolarHBondContact OD1-CB 3.44Å; N348-A350 PolarHBondContact OD1-N 3.29Å; N348-L351 HydrophobicContact CB-CD1 3.96Å; N348-L351 HydrophobicContact CB-CG 3.83Å; N348-L351 PolarHBondContact O-N 2.85Å; N348-L351 PolarHBondContact OD1-N 3.06Å; N348-R356 PolarHBondContact O-NH1 2.89Å; N348-R356 VanDerWaalsContact O-NH1 3.1Å; N348-R356 PolarHBondContact O-NH2 3.06Å
349	P	86.1	Confident	92.8	Very high	59 Å²	59	44.4 Å²	44.4	38%	0.383	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.5	178.6	-28	37	0	0	0	114.5	L351 R356 L541 I545	P349-L351 VanDerWaalsContact C-N 3.32Å; P349-L351 PolarHBondContact O-N 3.34Å; P349-R356 PolarHBondContact O-NH2 3.18Å; P349-R356 VanDerWaalsContact O-NH2 3.14Å; P349-L541 HydrophobicContact CG-CD2 4.27Å; P349-I545 HydrophobicContact CB-CG1 3.9Å
350	A	86.2	Confident	92.9	Very high	89 Å²	89	43 Å²	43	74%	0.736	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.3	-177.8	0	0	0	0	0	114.6	N348 K352	N348-A350 VanDerWaalsContact C-N 3.26Å; N348-A350 PolarHBondContact O-N 3.48Å; N348-A350 WeakPolarHBondContact OD1-CA 3.45Å; N348-A350 WeakPolarHBondContact OD1-CB 3.44Å; N348-A350 PolarHBondContact OD1-N 3.29Å; A350-K352 PolarHBondContact O-N 3.46Å
351	L	89.9	Confident	92.9	Very high	46 Å²	46	45 Å²	45	24%	0.241	24%	0.243	C	C	.	.	S	Bend	trans	-60.5	131	173.3	-68.2	173.3	0	0	0	111.3	N348 P349 Q355 R356 L359	N348-L351 HydrophobicContact CB-CD1 3.96Å; N348-L351 HydrophobicContact CB-CG 3.83Å; N348-L351 PolarHBondContact O-N 2.85Å; N348-L351 PolarHBondContact OD1-N 3.06Å; P349-L351 VanDerWaalsContact C-N 3.32Å; P349-L351 PolarHBondContact O-N 3.34Å; L351-Q355 HydrophobicContact CB-CB 4.4Å; L351-Q355 HydrophobicContact CD2-CB 4.24Å; L351-R356 PolarHBondContact O-NH2 2.84Å; L351-R356 VanDerWaalsContact O-NH2 3.14Å; L351-L359 HydrophobicContact CD1-CD1 4Å
352	K	92.2	Very high	92.9	Very high	138 Å²	138	47.6 Å²	47.6	60%	0.6	25%	0.253	S	S	*	.			trans	-63.2	151.2	174.8	-63.2	175.1	-178.6	176.2	0	110.4	A350 N354 Q355 R356	A350-K352 PolarHBondContact O-N 3.46Å; K352-N354 VanDerWaalsContact C-N 3.25Å; K352-N354 WeakPolarHBondContact CB-OD1 3.33Å; K352-N354 PolarHBondContact O-N 2.87Å; K352-N354 VanDerWaalsContact O-N 3.15Å; K352-Q355 HydrophobicContact CB-CG 4.28Å; K352-Q355 WeakPolarHBondContact O-CA 3.34Å; K352-Q355 WeakPolarHBondContact O-CB 3.39Å; K352-Q355 PolarHBondContact O-N 3.29Å; K352-R356 PolarHBondContact O-N 3.41Å
353	P	94	Very high	93	Very high	43 Å²	43	46.8 Å²	46.8	28%	0.279	25%	0.249	S	C	.	.	H	α-helix	trans	-51.2	-41.8	-179	-29.4	36.3	0	0	0	113.6	Q355 R356 A357 R396 E400	P353-Q355 VanDerWaalsContact C-N 3.34Å; P353-Q355 PolarHBondContact O-N 2.83Å; P353-R356 PolarHBondContact O-N 3.36Å; P353-A357 WeakPolarHBondContact O-CB 3.38Å; P353-A357 PolarHBondContact O-N 2.69Å; P353-R396 HydrophobicContact CB-CB 4.37Å; P353-R396 HydrophobicContact CG-CB 4.26Å; P353-E400 HydrophobicContact CB-CG 4.22Å
354	N	93.8	Very high	93.1	Very high	75 Å²	75	46.7 Å²	46.7	40%	0.401	25%	0.248	S	C	.	.	H	α-helix	trans	-70.8	-21.1	177.7	73.4	-26.7	0	0	0	115.2	K352 E400	K352-N354 VanDerWaalsContact C-N 3.25Å; K352-N354 WeakPolarHBondContact CB-OD1 3.33Å; K352-N354 PolarHBondContact O-N 2.87Å; K352-N354 VanDerWaalsContact O-N 3.15Å; N354-E400 HydrophobicContact CB-CB 4.25Å; N354-E400 HydrophobicContact CB-CG 4.13Å; N354-E400 VanDerWaalsContact CB-OE2 3.27Å; N354-E400 WeakPolarHBondContact CB-OE2 3.45Å
355	Q	92.7	Very high	93.3	Very high	83 Å²	83	47.9 Å²	47.9	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-80.3	-38.9	171	-64.2	173.5	-68.3	0	0	110.3	L351 K352 P353 R358	L351-Q355 HydrophobicContact CB-CB 4.4Å; L351-Q355 HydrophobicContact CD2-CB 4.24Å; K352-Q355 HydrophobicContact CB-CG 4.28Å; K352-Q355 WeakPolarHBondContact O-CA 3.34Å; K352-Q355 WeakPolarHBondContact O-CB 3.39Å; K352-Q355 PolarHBondContact O-N 3.29Å; P353-Q355 VanDerWaalsContact C-N 3.34Å; P353-Q355 PolarHBondContact O-N 2.83Å; Q355-R358 PolarHBondContact O-N 3.25Å
356	R	94.9	Very high	93.4	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-33.3	176.8	-164.4	-177.6	-52.6	-77.8	-2.2	112.3	C345 N348 P349 L351 K352 P353 R358 L359 I360 T397	C345-R356 WeakPolarHBondContact O-CD 3.04Å; C345-R356 WeakPolarHBondContact O-CG 3.23Å; C345-R356 PolarHBondContact O-NH1 3.05Å; N348-R356 PolarHBondContact O-NH1 2.89Å; N348-R356 VanDerWaalsContact O-NH1 3.1Å; N348-R356 PolarHBondContact O-NH2 3.06Å; P349-R356 PolarHBondContact O-NH2 3.18Å; P349-R356 VanDerWaalsContact O-NH2 3.14Å; L351-R356 PolarHBondContact O-NH2 2.84Å; L351-R356 VanDerWaalsContact O-NH2 3.14Å; K352-R356 PolarHBondContact O-N 3.41Å; P353-R356 PolarHBondContact O-N 3.36Å; R356-R358 VanDerWaalsContact C-N 3.26Å; R356-R358 PolarHBondContact O-N 3.04Å; R356-L359 WeakPolarHBondContact O-CB 3.44Å; R356-L359 PolarHBondContact O-N 3.27Å; R356-I360 PolarHBondContact O-N 3.12Å; R356-T397 HydrophobicContact CB-CG2 3.77Å; R356-T397 HydrophobicContact CG-CG2 3.85Å
357	A	96	Very high	93.6	Very high	2 Å²	2	48 Å²	48	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-54.4	-40.9	172	0	0	0	0	0	112	P353 L359 I360 E361 E400 V401	P353-A357 WeakPolarHBondContact O-CB 3.38Å; P353-A357 PolarHBondContact O-N 2.69Å; A357-L359 VanDerWaalsContact C-N 3.26Å; A357-L359 PolarHBondContact O-N 3.05Å; A357-I360 CarbonylContact O-C 3.51Å; A357-I360 WeakPolarHBondContact O-CB 3.43Å; A357-I360 PolarHBondContact O-N 3.14Å; A357-I360 VanDerWaalsContact O-N 3.09Å; A357-E361 WeakPolarHBondContact O-CG 3.5Å; A357-E361 PolarHBondContact O-N 2.66Å; A357-E400 HydrophobicContact CB-CB 3.95Å; A357-V401 HydrophobicContact CB-CG2 3.8Å
358	R	95.3	Very high	94.2	Very high	156 Å²	156	47.8 Å²	47.8	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-62.8	-28	177.1	-64.9	176.4	179.5	-171	-2.6	114.2	Q355 R356 E361 R362	Q355-R358 PolarHBondContact O-N 3.25Å; R356-R358 VanDerWaalsContact C-N 3.26Å; R356-R358 PolarHBondContact O-N 3.04Å; R358-E361 WeakPolarHBondContact CA-OE2 3.3Å; R358-R362 WeakPolarHBondContact O-CB 3.13Å; R358-R362 PolarHBondContact O-N 2.94Å
359	L	95.6	Very high	94.6	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-72	-43.2	174.3	-60.7	165	0	0	0	110	F279 L280 L351 R356 A357 R362 W363	F279-L359 HydrophobicContact CD1-CD2 4.01Å; L280-L359 HydrophobicContact CD1-CD2 4.07Å; L280-L359 HydrophobicContact CD2-CD2 3.91Å; L280-L359 HydrophobicContact CG-CD2 3.77Å; L351-L359 HydrophobicContact CD1-CD1 4Å; R356-L359 WeakPolarHBondContact O-CB 3.44Å; R356-L359 PolarHBondContact O-N 3.27Å; A357-L359 VanDerWaalsContact C-N 3.26Å; A357-L359 PolarHBondContact O-N 3.05Å; L359-R362 PolarHBondContact O-N 3.16Å; L359-W363 PolarHBondContact O-N 3.4Å
360	I	97.2	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.6	-61.7	179.8	0	0	0	110.6	R356 A357 W363 I364 L386 I391 T397 W398 V401	R356-I360 PolarHBondContact O-N 3.12Å; A357-I360 CarbonylContact O-C 3.51Å; A357-I360 WeakPolarHBondContact O-CB 3.43Å; A357-I360 PolarHBondContact O-N 3.14Å; A357-I360 VanDerWaalsContact O-N 3.09Å; I360-W363 PolarHBondContact O-N 3.3Å; I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.33Å; I360-I364 PolarHBondContact O-N 3.35Å; I360-L386 HydrophobicContact CG1-CD2 4.37Å; I360-L386 HydrophobicContact CG2-CD2 4.16Å; I360-I391 HydrophobicContact CD1-CG2 4.25Å; I360-T397 HydrophobicContact CD1-CG2 3.78Å; I360-W398 HydrophobicContact CD1-CD2 4.43Å; I360-W398 HydrophobicContact CD1-CZ2 4.29Å; I360-W398 HydrophobicContact CG2-CE3 4.34Å; I360-W398 HydrophobicContact CG2-CH2 3.64Å; I360-W398 HydrophobicContact CG2-CZ2 4.13Å; I360-W398 HydrophobicContact CG2-CZ3 3.75Å; I360-V401 HydrophobicContact CB-CG2 4.3Å; I360-V401 HydrophobicContact CG2-CG2 4.18Å
361	E	97.6	Very high	95.3	Very high	42 Å²	42	40.6 Å²	40.6	20%	0.196	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-50.2	174.6	-69.8	171.2	157.4	0	0	111.7	A357 R358 W363 I364 D365 V401 A402	A357-E361 WeakPolarHBondContact O-CG 3.5Å; A357-E361 PolarHBondContact O-N 2.66Å; R358-E361 WeakPolarHBondContact CA-OE2 3.3Å; E361-W363 VanDerWaalsContact C-N 3.27Å; E361-W363 PolarHBondContact O-N 2.93Å; E361-I364 WeakPolarHBondContact O-CB 3.44Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-I364 VanDerWaalsContact O-N 3.07Å; E361-D365 PolarHBondContact O-N 2.9Å; E361-V401 HydrophobicContact CG-CG1 3.84Å; E361-A402 WeakPolarHBondContact OE1-CB 3.46Å; E361-A402 PolarHBondContact OE1-N 3.08Å
362	R	97	Very high	95.3	Very high	56 Å²	56	43.1 Å²	43.1	21%	0.211	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-35.7	176.5	-177.3	60.4	61.8	81	11.4	112.1	F279 L280 F282 R358 L359 D365 V366	F279-R362 HydrophobicContact CD1-CG 4.29Å; F279-R362 HydrophobicContact CE1-CB 3.9Å; F279-R362 HydrophobicContact CE1-CG 3.55Å; F279-R362 HydrophobicContact CZ-CB 4.45Å; F279-R362 HydrophobicContact CZ-CG 3.72Å; L280-R362 HydrophobicContact CD2-CB 3.9Å; L280-R362 HydrophobicContact CD2-CG 4.24Å; L280-R362 PolarHBondContact O-NH1 3.03Å; L280-R362 PolarHBondContact O-NH2 3Å; F282-R362 PolarHBondContact O-NH1 3.14Å; R358-R362 WeakPolarHBondContact O-CB 3.13Å; R358-R362 PolarHBondContact O-N 2.94Å; L359-R362 PolarHBondContact O-N 3.16Å; R362-D365 WeakPolarHBondContact O-CB 3.29Å; R362-D365 PolarHBondContact O-N 3.22Å; R362-V366 WeakPolarHBondContact O-CG2 3.32Å; R362-V366 PolarHBondContact O-N 3.09Å
363	W	98.1	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-35	174	-80.5	123	0	0	0	113.4	F279 F291 V341 T344 L359 I360 E361 D365 V366 A367 I382 L386	F279-W363 HydrophobicContact CD2-CZ2 4.3Å; F279-W363 AromaticContact CE1-CD1 3.72Å; F279-W363 AromaticContact CE1-CD2 3.83Å; F279-W363 HydrophobicContact CE1-CD2 3.83Å; F279-W363 AromaticContact CE1-CE2 3.48Å; F279-W363 VanDerWaalsContact CE1-CE2 3.48Å; F279-W363 AromaticContact CE1-CG 3.99Å; F279-W363 HydrophobicContact CE1-CG 3.99Å; F279-W363 HydrophobicContact CE1-CZ2 4Å; F279-W363 AromaticContact CE1-NE1 3.4Å; F279-W363 HydrophobicContact CE2-CD2 4.44Å; F279-W363 AromaticContact CE2-CE2 3.98Å; F279-W363 AromaticContact CE2-CH2 3.86Å; F279-W363 HydrophobicContact CE2-CH2 3.86Å; F279-W363 AromaticContact CE2-CZ2 3.68Å; F279-W363 HydrophobicContact CE2-CZ2 3.68Å; F279-W363 HydrophobicContact CE2-CZ3 4.31Å; F279-W363 AromaticContact CZ-CD2 3.5Å; F279-W363 HydrophobicContact CZ-CD2 3.5Å; F279-W363 AromaticContact CZ-CE2 3.3Å; F279-W363 AromaticContact CZ-CE3 3.86Å; F279-W363 HydrophobicContact CZ-CE3 3.86Å; F279-W363 HydrophobicContact CZ-CG 4.1Å; F279-W363 AromaticContact CZ-CH2 3.88Å; F279-W363 HydrophobicContact CZ-CH2 3.88Å; F279-W363 AromaticContact CZ-CZ2 3.51Å; F279-W363 HydrophobicContact CZ-CZ2 3.51Å; F279-W363 HydrophobicContact CZ-CZ3 4.04Å; F279-W363 AromaticContact CZ-NE1 3.77Å; F291-W363 HydrophobicContact CE2-CH2 4.12Å; F291-W363 AromaticContact CE2-CZ3 3.84Å; F291-W363 HydrophobicContact CE2-CZ3 3.84Å; F291-W363 HydrophobicContact CZ-CH2 4.13Å; F291-W363 HydrophobicContact CZ-CZ3 4.3Å; V341-W363 HydrophobicContact CB-CD2 4.25Å; V341-W363 HydrophobicContact CB-CZ2 4.27Å; V341-W363 HydrophobicContact CG1-CB 4.49Å; V341-W363 HydrophobicContact CG1-CD2 4.03Å; V341-W363 HydrophobicContact CG1-CG 3.94Å; V341-W363 HydrophobicContact CG2-CD2 3.72Å; V341-W363 HydrophobicContact CG2-CE3 3.61Å; V341-W363 HydrophobicContact CG2-CG 4.48Å; V341-W363 HydrophobicContact CG2-CH2 3.69Å; V341-W363 HydrophobicContact CG2-CZ2 3.8Å; V341-W363 HydrophobicContact CG2-CZ3 3.58Å; T344-W363 HydrophobicContact CG2-CZ2 4.5Å; T344-W363 PolarHBondContact OG1-NE1 3.05Å; L359-W363 PolarHBondContact O-N 3.4Å; I360-W363 PolarHBondContact O-N 3.3Å; E361-W363 VanDerWaalsContact C-N 3.27Å; E361-W363 PolarHBondContact O-N 2.93Å; W363-D365 VanDerWaalsContact C-N 3.32Å; W363-V366 HydrophobicContact CE3-CB 4.15Å; W363-V366 HydrophobicContact CE3-CG1 4.3Å; W363-V366 HydrophobicContact CE3-CG2 4.37Å; W363-V366 HydrophobicContact CZ3-CB 4.5Å; W363-V366 HydrophobicContact CZ3-CG1 4.2Å; W363-V366 PolarHBondContact O-N 3.23Å; W363-A367 WeakPolarHBondContact O-CB 3.44Å; W363-A367 PolarHBondContact O-N 3.39Å; W363-I382 HydrophobicContact CB-CG2 4.16Å; W363-I382 HydrophobicContact CE3-CD1 4.18Å; W363-I382 HydrophobicContact CE3-CG1 4.12Å; W363-I382 HydrophobicContact CE3-CG2 4.09Å; W363-I382 HydrophobicContact CZ3-CD1 4.21Å; W363-I382 HydrophobicContact CZ3-CG1 4.18Å; W363-L386 HydrophobicContact CB-CD1 4.23Å; W363-L386 HydrophobicContact CB-CD2 4.42Å
364	I	98.1	Very high	95	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-36.6	171.3	-66	160.7	0	0	0	110.5	I360 E361 A367 R368 L386 V401 T408 F409	I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.33Å; I360-I364 PolarHBondContact O-N 3.35Å; E361-I364 WeakPolarHBondContact O-CB 3.44Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-I364 VanDerWaalsContact O-N 3.07Å; I364-A367 PolarHBondContact O-N 3.49Å; I364-R368 PolarHBondContact O-N 3.26Å; I364-L386 HydrophobicContact CG1-CD1 3.91Å; I364-V401 HydrophobicContact CD1-CG1 4.5Å; I364-T408 HydrophobicContact CG2-CG2 4.07Å; I364-F409 HydrophobicContact CD1-CB 3.87Å; I364-F409 HydrophobicContact CD1-CG 4.35Å; I364-F409 HydrophobicContact CG1-CB 4.03Å; I364-F409 HydrophobicContact CG1-CD2 4.2Å; I364-F409 HydrophobicContact CG1-CG 4.41Å; I364-F409 HydrophobicContact CG2-CB 4.33Å
365	D	97.3	Very high	95.1	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-53.4	172	-68	-42.5	0	0	0	111.4	P284 E361 R362 W363 A367 R368 E369	P284-D365 HydrophobicContact CB-CB 3.8Å; P284-D365 HydrophobicContact CG-CB 4.07Å; E361-D365 PolarHBondContact O-N 2.9Å; R362-D365 WeakPolarHBondContact O-CB 3.29Å; R362-D365 PolarHBondContact O-N 3.22Å; W363-D365 VanDerWaalsContact C-N 3.32Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.16Å; D365-R368 WeakPolarHBondContact O-CB 3.48Å; D365-R368 PolarHBondContact O-N 3.12Å; D365-R368 IonicContact OD1-CZ 2.73Å; D365-R368 IonicContact OD1-NH1 3.51Å; D365-R368 PolarHBondContact OD1-NH1 3.31Å; D365-R368 IonicContact OD1-NH2 2.75Å; D365-R368 PolarHBondContact OD1-NH2 3.15Å; D365-E369 WeakPolarHBondContact O-CG 3.43Å; D365-E369 PolarHBondContact O-N 3.39Å
366	V	98.1	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.1	-41.3	176.3	176	0	0	0	0	111.3	F279 P284 V287 A288 F291 R362 W363 R368 E369 C370 I382	F279-V366 HydrophobicContact CZ-CG2 4.4Å; P284-V366 HydrophobicContact CB-CG2 3.75Å; V287-V366 HydrophobicContact CB-CG1 4.34Å; V287-V366 HydrophobicContact CB-CG2 4Å; V287-V366 HydrophobicContact CG1-CB 4.48Å; V287-V366 HydrophobicContact CG1-CG1 3.7Å; V287-V366 HydrophobicContact CG1-CG2 3.82Å; A288-V366 HydrophobicContact CB-CG1 4.39Å; F291-V366 HydrophobicContact CD2-CG1 4.26Å; F291-V366 HydrophobicContact CE2-CG1 4.28Å; R362-V366 WeakPolarHBondContact O-CG2 3.32Å; R362-V366 PolarHBondContact O-N 3.09Å; W363-V366 HydrophobicContact CE3-CB 4.15Å; W363-V366 HydrophobicContact CE3-CG1 4.3Å; W363-V366 HydrophobicContact CE3-CG2 4.37Å; W363-V366 HydrophobicContact CZ3-CB 4.5Å; W363-V366 HydrophobicContact CZ3-CG1 4.2Å; W363-V366 PolarHBondContact O-N 3.23Å; V366-R368 PolarHBondContact O-N 2.92Å; V366-E369 PolarHBondContact O-N 2.87Å; V366-C370 WeakPolarHBondContact O-CB 3.48Å; V366-C370 PolarHBondContact O-N 2.87Å; V366-C370 PolarHBondContact O-SG 3.23Å; V366-I382 HydrophobicContact CB-CD1 4.34Å; V366-I382 HydrophobicContact CG1-CD1 3.66Å
367	A	97.4	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.1	0	0	0	0	0	112.2	W363 I364 D365 C370 R371 L379 I382 L412	W363-A367 WeakPolarHBondContact O-CB 3.44Å; W363-A367 PolarHBondContact O-N 3.39Å; I364-A367 PolarHBondContact O-N 3.49Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.16Å; A367-C370 WeakPolarHBondContact O-CB 3.48Å; A367-C370 PolarHBondContact O-N 3.12Å; A367-R371 PolarHBondContact O-N 3.47Å; A367-L379 HydrophobicContact CB-CD1 4Å; A367-L379 WeakPolarHBondContact O-CD1 3.33Å; A367-I382 HydrophobicContact CB-CB 4.38Å; A367-I382 HydrophobicContact CB-CD1 4.46Å; A367-I382 HydrophobicContact CB-CG2 4.04Å; A367-L412 HydrophobicContact CB-CD1 3.96Å
368	R	95.3	Very high	95.2	Very high	79 Å²	79	31.4 Å²	31.4	30%	0.298	14%	0.137	S	C	.	.	H	α-helix	trans	-62.8	-42.1	175	-178.4	-173.9	61	-114.1	-13	111.7	I364 D365 V366 R371 I372 T408 L412	I364-R368 PolarHBondContact O-N 3.26Å; D365-R368 WeakPolarHBondContact O-CB 3.48Å; D365-R368 PolarHBondContact O-N 3.12Å; D365-R368 IonicContact OD1-CZ 2.73Å; D365-R368 IonicContact OD1-NH1 3.51Å; D365-R368 PolarHBondContact OD1-NH1 3.31Å; D365-R368 IonicContact OD1-NH2 2.75Å; D365-R368 PolarHBondContact OD1-NH2 3.15Å; V366-R368 PolarHBondContact O-N 2.92Å; R368-R371 WeakPolarHBondContact O-CB 3.05Å; R368-R371 PolarHBondContact O-N 3.1Å; R368-R371 VanDerWaalsContact O-N 3.16Å; R368-I372 HydrophobicContact CG-CD1 4.26Å; R368-I372 WeakPolarHBondContact O-CG1 3.4Å; R368-I372 PolarHBondContact O-N 2.91Å; R368-T408 HydrophobicContact CB-CG2 4.36Å; R368-L412 HydrophobicContact CB-CD1 4.21Å
369	E	94.5	Very high	95.3	Very high	29 Å²	29	24 Å²	24	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-68.4	-39.8	177.3	-53	-38.4	130.1	0	0	111.4	I285 A288 D365 V366 R371 I372 L373	I285-E369 HydrophobicContact CG1-CG 3.95Å; A288-E369 HydrophobicContact CB-CB 3.66Å; D365-E369 WeakPolarHBondContact O-CG 3.43Å; D365-E369 PolarHBondContact O-N 3.39Å; V366-E369 PolarHBondContact O-N 2.87Å; E369-R371 VanDerWaalsContact C-N 3.26Å; E369-R371 PolarHBondContact O-N 3.29Å; E369-I372 WeakPolarHBondContact O-CB 3.19Å; E369-I372 PolarHBondContact O-N 3.05Å; E369-I372 VanDerWaalsContact OE2-CD1 3.29Å; E369-I372 WeakPolarHBondContact OE2-CD1 3.46Å; E369-L373 WeakPolarHBondContact O-CG 3.49Å; E369-L373 PolarHBondContact O-N 2.88Å
370	C	94.4	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.3	-37.7	168.6	-76.4	0	0	0	0	112.5	V366 A367 K374 N375 L379	V366-C370 WeakPolarHBondContact O-CB 3.48Å; V366-C370 PolarHBondContact O-N 2.87Å; V366-C370 PolarHBondContact O-SG 3.23Å; A367-C370 WeakPolarHBondContact O-CB 3.48Å; A367-C370 PolarHBondContact O-N 3.12Å; C370-K374 PolarHBondContact O-N 3.25Å; C370-K374 VanDerWaalsContact O-N 3.12Å; C370-N375 HydrophobicContact CB-CB 4.47Å; C370-N375 PolarHBondContact O-N 3.33Å; C370-L379 HydrophobicContact CB-CB 4.12Å
371	R	92.6	Very high	95.3	Very high	47 Å²	47	25.2 Å²	25.2	18%	0.177	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-36.7	174.5	176.5	57	-171.5	103.1	-7.9	112.6	A367 R368 E369 K374 L379 L412 I415 E432	A367-R371 PolarHBondContact O-N 3.47Å; R368-R371 WeakPolarHBondContact O-CB 3.05Å; R368-R371 PolarHBondContact O-N 3.1Å; R368-R371 VanDerWaalsContact O-N 3.16Å; E369-R371 VanDerWaalsContact C-N 3.26Å; E369-R371 PolarHBondContact O-N 3.29Å; R371-K374 PolarHBondContact O-N 3.25Å; R371-L379 HydrophobicContact CB-CD1 4.47Å; R371-L379 HydrophobicContact CB-CD2 3.85Å; R371-L379 HydrophobicContact CG-CD2 4.33Å; R371-L412 HydrophobicContact CB-CD2 3.73Å; R371-L412 HydrophobicContact CG-CD2 3.82Å; R371-I415 HydrophobicContact CG-CD1 4.25Å; R371-E432 IonicContact CZ-OE1 3.06Å; R371-E432 IonicContact CZ-OE2 3.43Å; R371-E432 IonicContact NH1-OE1 2.6Å; R371-E432 IonicContact NH1-OE2 3.42Å; R371-E432 PolarHBondContact NH1-OE2 3.42Å; R371-E432 IonicContact NH2-OE1 3.71Å; R371-E432 PolarHBondContact NH2-OE1 3.31Å; R371-E432 IonicContact NH2-OE2 3.51Å; R371-E432 PolarHBondContact NH2-OE2 2.61Å
372	I	89.9	Confident	95.4	Very high	98 Å²	98	23.2 Å²	23.2	50%	0.503	10%	0.103	S	C	.	.	H	α-helix	trans	-68.9	-42.7	176.2	-71.3	161.1	0	0	0	110.7	R368 E369 K374	R368-I372 HydrophobicContact CG-CD1 4.26Å; R368-I372 WeakPolarHBondContact O-CG1 3.4Å; R368-I372 PolarHBondContact O-N 2.91Å; E369-I372 WeakPolarHBondContact O-CB 3.19Å; E369-I372 PolarHBondContact O-N 3.05Å; E369-I372 VanDerWaalsContact OE2-CD1 3.29Å; E369-I372 WeakPolarHBondContact OE2-CD1 3.46Å; I372-K374 PolarHBondContact O-N 3.12Å
373	L	88.8	Confident	95.4	Very high	39 Å²	39	20.5 Å²	20.5	20%	0.204	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-2.2	173.5	-62.5	-178.6	0	0	0	114	A288 E289 T292 E369 N375 Y515 F517	A288-L373 HydrophobicContact CB-CD1 3.99Å; E289-L373 HydrophobicContact CB-CD1 4.49Å; E289-L373 HydrophobicContact CG-CD1 3.91Å; T292-L373 HydrophobicContact CG2-CB 4.5Å; E369-L373 WeakPolarHBondContact O-CG 3.49Å; E369-L373 PolarHBondContact O-N 2.88Å; L373-N375 PolarHBondContact O-N 2.89Å; L373-Y515 WeakPolarHBondContact O-CE1 3.13Å; L373-Y515 PolarHBondContact O-OH 2.98Å; L373-F517 HydrophobicContact CD1-CZ 4.31Å; L373-F517 HydrophobicContact CD2-CE1 4.36Å; L373-F517 HydrophobicContact CD2-CZ 4.11Å
374	K	91.3	Very high	95.3	Very high	52 Å²	52	22 Å²	22	23%	0.226	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.7	-175.3	-55.4	178.5	-176.8	174.1	0	114.2	C370 R371 I372 F376 E432 G462 T463 I464	C370-K374 PolarHBondContact O-N 3.25Å; C370-K374 VanDerWaalsContact O-N 3.12Å; R371-K374 PolarHBondContact O-N 3.25Å; I372-K374 PolarHBondContact O-N 3.12Å; K374-F376 HydrophobicContact CB-CE2 3.97Å; K374-F376 WeakPolarHBondContact O-CD2 3.31Å; K374-F376 PolarHBondContact O-N 3.36Å; K374-E432 HydrophobicContact CD-CB 4.04Å; K374-E432 PolarHBondContact NZ-O 3.43Å; K374-G462 WeakPolarHBondContact CD-O 3.25Å; K374-T463 HydrophobicContact CB-CG2 4.43Å; K374-T463 WeakPolarHBondContact CD-OG1 3.49Å; K374-I464 PolarHBondContact O-N 2.97Å
375	N	93.9	Very high	95.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-85.3	86.6	168.2	-175	-5.5	0	0	0	109.6	T292 D295 C370 L373 S377 S378 L379 I464	T292-N375 WeakPolarHBondContact CA-ND2 3.33Å; T292-N375 HydrophobicContact CG2-CB 4.14Å; T292-N375 WeakPolarHBondContact OG1-CB 3.43Å; T292-N375 PolarHBondContact OG1-ND2 3.49Å; D295-N375 PolarHBondContact OD2-ND2 2.86Å; D295-N375 PolarHBondContact OD2-OD1 2.93Å; C370-N375 HydrophobicContact CB-CB 4.47Å; C370-N375 PolarHBondContact O-N 3.33Å; L373-N375 PolarHBondContact O-N 2.89Å; N375-S377 PolarHBondContact O-N 2.77Å; N375-S377 WeakPolarHBondContact OD1-CB 3.48Å; N375-S377 PolarHBondContact OD1-N 2.69Å; N375-S377 VanDerWaalsContact OD1-N 3.08Å; N375-S378 PolarHBondContact OD1-N 3.29Å; N375-L379 WeakPolarHBondContact O-CB 3.44Å; N375-L379 PolarHBondContact O-N 3.21Å; N375-I464 HydrophobicContact CB-CD1 4.35Å
376	F	93.8	Very high	95.3	Very high	1 Å²	1	20 Å²	20	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-72.9	-16	176.7	-61.4	-88.6	0	0	0	112.5	K374 L379 R380 I415 F416 L428 L429 T463 I464	K374-F376 HydrophobicContact CB-CE2 3.97Å; K374-F376 WeakPolarHBondContact O-CD2 3.31Å; K374-F376 PolarHBondContact O-N 3.36Å; F376-L379 HydrophobicContact CD1-CD2 4.24Å; F376-R380 WeakPolarHBondContact O-CB 3.06Å; F376-R380 PolarHBondContact O-N 3.47Å; F376-I415 HydrophobicContact CD1-CG2 4.47Å; F376-I415 HydrophobicContact CE1-CG2 4.37Å; F376-F416 HydrophobicContact CB-CE1 4.38Å; F376-F416 HydrophobicContact CB-CZ 3.97Å; F376-F416 AromaticContact CD1-CZ 3.89Å; F376-F416 HydrophobicContact CD1-CZ 3.89Å; F376-F416 HydrophobicContact CG-CZ 4.45Å; F376-L428 HydrophobicContact CE1-CB 4.35Å; F376-L428 HydrophobicContact CE1-CD1 4.5Å; F376-L428 HydrophobicContact CZ-CB 4.22Å; F376-L429 HydrophobicContact CD2-CD2 3.6Å; F376-L429 HydrophobicContact CD2-CG 4.49Å; F376-L429 HydrophobicContact CE2-CD2 3.96Å; F376-L429 HydrophobicContact CG-CD2 4.18Å; F376-T463 HydrophobicContact CD2-CG2 4.11Å; F376-T463 HydrophobicContact CE2-CG2 4.01Å; F376-I464 WeakPolarHBondContact CA-O 3.35Å; F376-I464 VanDerWaalsContact CB-O 3.32Å; F376-I464 WeakPolarHBondContact CB-O 3.43Å; F376-I464 PolarHBondContact N-O 3.36Å
377	S	95.6	Very high	95.2	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-68.4	-68.1	174.5	-177.6	0	0	0	0	111.1	N375 L379 R380 A381	N375-S377 PolarHBondContact O-N 2.77Å; N375-S377 WeakPolarHBondContact OD1-CB 3.48Å; N375-S377 PolarHBondContact OD1-N 2.69Å; N375-S377 VanDerWaalsContact OD1-N 3.08Å; S377-L379 VanDerWaalsContact C-N 3.31Å; S377-L379 PolarHBondContact O-N 2.81Å; S377-R380 PolarHBondContact O-N 2.85Å; S377-A381 PolarHBondContact O-N 3.43Å
378	S	97.6	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-29.6	179.8	-76.1	0	0	0	0	113.3	D295 N375 R380 A381 I382	D295-S378 WeakPolarHBondContact OD2-CB 3.43Å; D295-S378 PolarHBondContact OD2-N 3.19Å; D295-S378 PolarHBondContact OD2-OG 3.39Å; N375-S378 PolarHBondContact OD1-N 3.29Å; S378-R380 PolarHBondContact O-N 3.41Å; S378-A381 PolarHBondContact O-N 2.97Å; S378-I382 WeakPolarHBondContact O-CD1 3.36Å; S378-I382 VanDerWaalsContact O-CG1 3.29Å; S378-I382 WeakPolarHBondContact O-CG1 3.48Å; S378-I382 PolarHBondContact O-N 2.78Å
379	L	96.8	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.8	-48.2	168.6	170.2	60.6	0	0	0	111.3	A367 C370 R371 N375 F376 S377 L383 L412 F416	A367-L379 HydrophobicContact CB-CD1 4Å; A367-L379 WeakPolarHBondContact O-CD1 3.33Å; C370-L379 HydrophobicContact CB-CB 4.12Å; R371-L379 HydrophobicContact CB-CD1 4.47Å; R371-L379 HydrophobicContact CB-CD2 3.85Å; R371-L379 HydrophobicContact CG-CD2 4.33Å; N375-L379 WeakPolarHBondContact O-CB 3.44Å; N375-L379 PolarHBondContact O-N 3.21Å; F376-L379 HydrophobicContact CD1-CD2 4.24Å; S377-L379 VanDerWaalsContact C-N 3.31Å; S377-L379 PolarHBondContact O-N 2.81Å; L379-L383 HydrophobicContact CD1-CD1 3.74Å; L379-L383 HydrophobicContact CD1-CG 4.14Å; L379-L383 HydrophobicContact CG-CD1 4.09Å; L379-L383 WeakPolarHBondContact O-CB 3.3Å; L379-L383 VanDerWaalsContact O-CG 3.25Å; L379-L383 WeakPolarHBondContact O-CG 3.38Å; L379-L383 PolarHBondContact O-N 3.06Å; L379-L383 VanDerWaalsContact O-N 3.11Å; L379-L412 HydrophobicContact CD1-CB 4.42Å; L379-L412 HydrophobicContact CD1-CD1 4.4Å; L379-L412 HydrophobicContact CD1-CD2 4.19Å; L379-F416 HydrophobicContact CD2-CE2 3.6Å; L379-F416 HydrophobicContact CD2-CZ 4.02Å; L379-F416 HydrophobicContact CG-CE2 3.68Å; L379-F416 HydrophobicContact CG-CZ 4.15Å
380	R	96.1	Very high	95.1	Very high	39 Å²	39	25.1 Å²	25.1	15%	0.147	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-38.8	177.6	-176.1	52	169.9	147.1	-11.3	111.4	F334 F376 S377 S378 L383 S384 F416 Y466	F334-R380 HydrophobicContact CE2-CB 4.05Å; F334-R380 HydrophobicContact CE2-CG 4.14Å; F334-R380 HydrophobicContact CZ-CG 4.21Å; F376-R380 WeakPolarHBondContact O-CB 3.06Å; F376-R380 PolarHBondContact O-N 3.47Å; S377-R380 PolarHBondContact O-N 2.85Å; S378-R380 PolarHBondContact O-N 3.41Å; R380-L383 PolarHBondContact O-N 3.31Å; R380-S384 PolarHBondContact O-N 2.93Å; R380-S384 PolarHBondContact O-OG 3.26Å; R380-F416 HydrophobicContact CB-CD1 4.16Å; R380-F416 HydrophobicContact CB-CE1 3.81Å; R380-F416 HydrophobicContact CB-CE2 4.46Å; R380-F416 HydrophobicContact CB-CZ 3.96Å; R380-F416 HydrophobicContact CG-CD1 4.11Å; R380-F416 HydrophobicContact CG-CE1 4.24Å; R380-Y466 HydrophobicContact CB-CD2 4.12Å; R380-Y466 HydrophobicContact CB-CG 4.24Å; R380-Y466 HydrophobicContact CG-CD1 4.41Å; R380-Y466 HydrophobicContact CG-CD2 4.02Å; R380-Y466 HydrophobicContact CG-CE2 4.21Å; R380-Y466 HydrophobicContact CG-CG 4.13Å
381	A	97.9	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-50	177.7	0	0	0	0	0	112.6	F334 V337 T338 S377 S378 S384 A385	F334-A381 HydrophobicContact CD2-CB 3.76Å; F334-A381 HydrophobicContact CE1-CB 4.47Å; F334-A381 HydrophobicContact CE2-CB 3.65Å; F334-A381 VanDerWaalsContact CE2-N 3.32Å; F334-A381 HydrophobicContact CG-CB 4.23Å; F334-A381 HydrophobicContact CZ-CB 4.02Å; V337-A381 HydrophobicContact CB-CB 4.01Å; V337-A381 HydrophobicContact CG1-CB 3.85Å; T338-A381 WeakPolarHBondContact OG1-CB 3.4Å; T338-A381 PolarHBondContact OG1-O 3.35Å; S377-A381 PolarHBondContact O-N 3.43Å; S378-A381 PolarHBondContact O-N 2.97Å; A381-S384 WeakPolarHBondContact CA-OG 3.35Å; A381-S384 PolarHBondContact O-N 2.71Å; A381-S384 PolarHBondContact O-OG 3.24Å; A381-A385 WeakPolarHBondContact O-CB 3.07Å; A381-A385 PolarHBondContact O-N 3.08Å
382	I	98.4	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-42.9	178.8	-60.8	160.7	0	0	0	110.7	V337 V341 W363 V366 A367 S378 A385 L386	V337-I382 HydrophobicContact CG1-CG1 4.07Å; V341-I382 HydrophobicContact CG1-CG2 4.45Å; V341-I382 HydrophobicContact CG2-CB 4.25Å; V341-I382 HydrophobicContact CG2-CG1 3.84Å; V341-I382 HydrophobicContact CG2-CG2 4.18Å; W363-I382 HydrophobicContact CB-CG2 4.16Å; W363-I382 HydrophobicContact CE3-CD1 4.18Å; W363-I382 HydrophobicContact CE3-CG1 4.12Å; W363-I382 HydrophobicContact CE3-CG2 4.09Å; W363-I382 HydrophobicContact CZ3-CD1 4.21Å; W363-I382 HydrophobicContact CZ3-CG1 4.18Å; V366-I382 HydrophobicContact CB-CD1 4.34Å; V366-I382 HydrophobicContact CG1-CD1 3.66Å; A367-I382 HydrophobicContact CB-CB 4.38Å; A367-I382 HydrophobicContact CB-CD1 4.46Å; A367-I382 HydrophobicContact CB-CG2 4.04Å; S378-I382 WeakPolarHBondContact O-CD1 3.36Å; S378-I382 VanDerWaalsContact O-CG1 3.29Å; S378-I382 WeakPolarHBondContact O-CG1 3.48Å; S378-I382 PolarHBondContact O-N 2.78Å; I382-A385 PolarHBondContact O-N 3.09Å; I382-L386 HydrophobicContact CG2-CD1 4.25Å; I382-L386 WeakPolarHBondContact O-CG 3.27Å; I382-L386 PolarHBondContact O-N 2.86Å
383	L	97.4	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.9	-69.4	171.6	0	0	0	111.8	L379 R380 A385 L386 Q387 F409 L412 F416	L379-L383 HydrophobicContact CD1-CD1 3.74Å; L379-L383 HydrophobicContact CD1-CG 4.14Å; L379-L383 HydrophobicContact CG-CD1 4.09Å; L379-L383 WeakPolarHBondContact O-CB 3.3Å; L379-L383 VanDerWaalsContact O-CG 3.25Å; L379-L383 WeakPolarHBondContact O-CG 3.38Å; L379-L383 PolarHBondContact O-N 3.06Å; L379-L383 VanDerWaalsContact O-N 3.11Å; R380-L383 PolarHBondContact O-N 3.31Å; L383-A385 VanDerWaalsContact C-N 3.32Å; L383-A385 PolarHBondContact O-N 3.22Å; L383-L386 PolarHBondContact O-N 3.21Å; L383-Q387 VanDerWaalsContact O-CB 3.24Å; L383-Q387 WeakPolarHBondContact O-CB 3.44Å; L383-Q387 WeakPolarHBondContact O-CG 3.34Å; L383-Q387 PolarHBondContact O-N 3.37Å; L383-F409 HydrophobicContact CD2-CD2 3.75Å; L383-F409 HydrophobicContact CD2-CE2 3.75Å; L383-L412 HydrophobicContact CD1-CB 4.24Å; L383-L412 VanDerWaalsContact CD1-O 3.32Å; L383-L412 WeakPolarHBondContact CD1-O 3.43Å; L383-L412 HydrophobicContact CD2-CB 4.05Å; L383-F416 HydrophobicContact CD1-CD2 3.9Å; L383-F416 HydrophobicContact CD1-CE2 4.15Å
384	S	96.6	Very high	95.9	Very high	31 Å²	31	22.9 Å²	22.9	22%	0.217	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-34.8	177.1	45.8	0	0	0	0	113	R380 A381 Q387 C388	R380-S384 PolarHBondContact O-N 2.93Å; R380-S384 PolarHBondContact O-OG 3.26Å; A381-S384 WeakPolarHBondContact CA-OG 3.35Å; A381-S384 PolarHBondContact O-N 2.71Å; A381-S384 PolarHBondContact O-OG 3.24Å; S384-Q387 PolarHBondContact O-N 3.14Å; S384-C388 WeakPolarHBondContact O-CB 3.43Å; S384-C388 PolarHBondContact O-N 2.88Å
385	A	97.6	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-47.5	174.4	0	0	0	0	0	112.4	T338 V341 I342 A381 I382 L383 Q387 C388 I391	T338-A385 HydrophobicContact CG2-CB 3.93Å; T338-A385 WeakPolarHBondContact O-CB 3.42Å; V341-A385 HydrophobicContact CB-CB 3.5Å; V341-A385 VanDerWaalsContact CB-CB 3.5Å; V341-A385 HydrophobicContact CG1-CB 3.43Å; V341-A385 VanDerWaalsContact CG1-CB 3.43Å; V341-A385 HydrophobicContact CG2-CB 4.24Å; I342-A385 HydrophobicContact CD1-CB 4.42Å; I342-A385 HydrophobicContact CG1-CB 3.92Å; A381-A385 WeakPolarHBondContact O-CB 3.07Å; A381-A385 PolarHBondContact O-N 3.08Å; I382-A385 PolarHBondContact O-N 3.09Å; L383-A385 VanDerWaalsContact C-N 3.32Å; L383-A385 PolarHBondContact O-N 3.22Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 2.81Å; A385-C388 WeakPolarHBondContact O-CB 3.31Å; A385-C388 PolarHBondContact O-N 3.33Å; A385-C388 PolarHBondContact O-SG 2.97Å; A385-I391 WeakPolarHBondContact O-CG1 3.3Å
386	L	97.6	Very high	96.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-29.2	177.4	-65.8	179.7	0	0	0	112.7	V341 I360 W363 I364 I382 L383 I391 W398 F409	V341-L386 HydrophobicContact CG1-CD2 3.97Å; V341-L386 HydrophobicContact CG1-CG 4.17Å; I360-L386 HydrophobicContact CG1-CD2 4.37Å; I360-L386 HydrophobicContact CG2-CD2 4.16Å; W363-L386 HydrophobicContact CB-CD1 4.23Å; W363-L386 HydrophobicContact CB-CD2 4.42Å; I364-L386 HydrophobicContact CG1-CD1 3.91Å; I382-L386 HydrophobicContact CG2-CD1 4.25Å; I382-L386 WeakPolarHBondContact O-CG 3.27Å; I382-L386 PolarHBondContact O-N 2.86Å; L383-L386 PolarHBondContact O-N 3.21Å; L386-I391 HydrophobicContact CD2-CG2 4.08Å; L386-W398 HydrophobicContact CB-CH2 4.38Å; L386-W398 HydrophobicContact CB-CZ2 4.4Å; L386-F409 HydrophobicContact CB-CE2 3.68Å; L386-F409 HydrophobicContact CB-CZ 4Å; L386-F409 HydrophobicContact CD1-CD2 4.13Å; L386-F409 HydrophobicContact CD1-CE2 3.95Å; L386-F409 HydrophobicContact CG-CE2 4.49Å
387	Q	96.3	Very high	96.3	Very high	73 Å²	73	31.2 Å²	31.2	34%	0.341	15%	0.146	S	C	.	.	H	α-helix	trans	-78.8	-14.1	174.2	-70.4	169.1	-4.4	0	0	113.4	L383 S384 A385 F409 S413	L383-Q387 VanDerWaalsContact O-CB 3.24Å; L383-Q387 WeakPolarHBondContact O-CB 3.44Å; L383-Q387 WeakPolarHBondContact O-CG 3.34Å; L383-Q387 PolarHBondContact O-N 3.37Å; S384-Q387 PolarHBondContact O-N 3.14Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 2.81Å; Q387-F409 HydrophobicContact CG-CZ 3.88Å; Q387-S413 PolarHBondContact NE2-OG 3.47Å
388	C	95.5	Very high	96.4	Very high	31 Å²	31	32.4 Å²	32.4	21%	0.209	15%	0.15	C	C	.	.	S	Bend	trans	-66.7	156	-174.2	93.6	0	0	0	0	112.2	I342 S384 A385 S390 I391 H392	I342-C388 HydrophobicContact CD1-CB 4.47Å; S384-C388 WeakPolarHBondContact O-CB 3.43Å; S384-C388 PolarHBondContact O-N 2.88Å; A385-C388 WeakPolarHBondContact O-CB 3.31Å; A385-C388 PolarHBondContact O-N 3.33Å; A385-C388 PolarHBondContact O-SG 2.97Å; C388-S390 PolarHBondContact O-N 3.48Å; C388-S390 VanDerWaalsContact O-N 3.13Å; C388-I391 PolarHBondContact O-N 3.38Å; C388-I391 VanDerWaalsContact O-N 3.09Å; C388-H392 VanDerWaalsContact O-CB 3.29Å; C388-H392 WeakPolarHBondContact O-CB 3.26Å; C388-H392 PolarHBondContact O-N 3.47Å
389	N	94.3	Very high	96.4	Very high	109 Å²	109	39 Å²	39	58%	0.583	19%	0.185	S	C	*	.	H	α-helix	trans	-56.1	-34.5	-176.4	-76.2	-45.2	0	0	0	113.3	R393	N389-R393 VanDerWaalsContact O-CB 3.32Å; N389-R393 WeakPolarHBondContact O-CB 3.49Å; N389-R393 VanDerWaalsContact O-CD 3.22Å; N389-R393 WeakPolarHBondContact O-CD 3.5Å; N389-R393 WeakPolarHBondContact O-CG 3.36Å; N389-R393 PolarHBondContact O-N 2.91Å
390	S	95.3	Very high	96.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-31.5	-179.6	-51.4	0	0	0	0	113.3	C388 S538 Y539 S542	C388-S390 PolarHBondContact O-N 3.48Å; C388-S390 VanDerWaalsContact O-N 3.13Å; S390-S538 PolarHBondContact OG-OG 3.13Å; S390-Y539 WeakPolarHBondContact OG-CA 3.43Å; S390-Y539 PolarHBondContact OG-N 2.92Å; S390-S542 WeakPolarHBondContact O-CB 3.39Å; S390-S542 PolarHBondContact O-OG 2.7Å
391	I	96.6	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-98.2	-44.6	179.3	-54.7	-53.9	0	0	0	111.7	I342 C345 L346 I360 A385 L386 C388 R393 L394 W398	I342-I391 HydrophobicContact CG1-CG1 4.37Å; C345-I391 HydrophobicContact CB-CD1 3.66Å; L346-I391 HydrophobicContact CD1-CD1 4.24Å; L346-I391 HydrophobicContact CD2-CD1 4.01Å; L346-I391 HydrophobicContact CG-CD1 3.91Å; I360-I391 HydrophobicContact CD1-CG2 4.25Å; A385-I391 WeakPolarHBondContact O-CG1 3.3Å; L386-I391 HydrophobicContact CD2-CG2 4.08Å; C388-I391 PolarHBondContact O-N 3.38Å; C388-I391 VanDerWaalsContact O-N 3.09Å; I391-R393 PolarHBondContact O-N 2.77Å; I391-R393 VanDerWaalsContact O-N 3.16Å; I391-L394 HydrophobicContact CD1-CD1 4.28Å; I391-L394 WeakPolarHBondContact O-CB 3.45Å; I391-L394 WeakPolarHBondContact O-CG 3.39Å; I391-L394 PolarHBondContact O-N 3.14Å; I391-L394 VanDerWaalsContact O-N 3.13Å; I391-W398 HydrophobicContact CG2-CZ2 4.19Å; I391-W398 PolarHBondContact O-NE1 2.77Å
392	H	95.1	Very high	96.5	Very high	94 Å²	94	45 Å²	45	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-25.2	-177.1	176.5	-129.6	0	0	0	113.2	C388 L394 K395	C388-H392 VanDerWaalsContact O-CB 3.29Å; C388-H392 WeakPolarHBondContact O-CB 3.26Å; C388-H392 PolarHBondContact O-N 3.47Å; H392-L394 VanDerWaalsContact C-N 3.34Å; H392-L394 PolarHBondContact O-N 2.93Å; H392-K395 PolarHBondContact CD2-NZ 2.99Å; H392-K395 PolarHBondContact NE2-NZ 2.95Å; H392-K395 WeakPolarHBondContact O-CE 3.25Å; H392-K395 PolarHBondContact O-NZ 2.92Å
393	R	95.7	Very high	96.4	Very high	43 Å²	43	56 Å²	56	16%	0.162	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.1	177.2	71.4	-178.3	-73.5	-61	-3.5	115.3	N389 I391 K395 S542 E546	N389-R393 VanDerWaalsContact O-CB 3.32Å; N389-R393 WeakPolarHBondContact O-CB 3.49Å; N389-R393 VanDerWaalsContact O-CD 3.22Å; N389-R393 WeakPolarHBondContact O-CD 3.5Å; N389-R393 WeakPolarHBondContact O-CG 3.36Å; N389-R393 PolarHBondContact O-N 2.91Å; I391-R393 PolarHBondContact O-N 2.77Å; I391-R393 VanDerWaalsContact O-N 3.16Å; R393-K395 PolarHBondContact O-N 3.48Å; R393-S542 WeakPolarHBondContact CD-OG 3.2Å; R393-S542 VanDerWaalsContact CG-OG 3.23Å; R393-S542 WeakPolarHBondContact CG-OG 3.19Å; R393-S542 PolarHBondContact NH1-O 3.07Å; R393-S542 PolarHBondContact NH1-OG 3.23Å; R393-E546 VanDerWaalsContact CZ-O 3.29Å; R393-E546 PolarHBondContact NH1-O 2.92Å; R393-E546 PolarHBondContact NH2-O 3.22Å
394	L	95.1	Very high	96.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.296	C	S	.	.			trans	-75.4	64.6	-174.5	-60.4	173.7	0	0	0	111.8	L346 I391 H392 R396 T397 W398 S542 I545 E546	L346-L394 HydrophobicContact CD2-CD1 4.22Å; I391-L394 HydrophobicContact CD1-CD1 4.28Å; I391-L394 WeakPolarHBondContact O-CB 3.45Å; I391-L394 WeakPolarHBondContact O-CG 3.39Å; I391-L394 PolarHBondContact O-N 3.14Å; I391-L394 VanDerWaalsContact O-N 3.13Å; H392-L394 VanDerWaalsContact C-N 3.34Å; H392-L394 PolarHBondContact O-N 2.93Å; L394-R396 PolarHBondContact O-N 3.39Å; L394-T397 WeakPolarHBondContact O-CA 3.5Å; L394-T397 WeakPolarHBondContact O-CB 3.15Å; L394-T397 PolarHBondContact O-N 3.46Å; L394-T397 VanDerWaalsContact O-N 3.08Å; L394-W398 VanDerWaalsContact O-CD1 3.23Å; L394-W398 PolarHBondContact O-N 2.92Å; L394-S542 VanDerWaalsContact CD2-OG 3.29Å; L394-S542 WeakPolarHBondContact CD2-OG 3.32Å; L394-I545 HydrophobicContact CD2-CB 4.42Å; L394-I545 HydrophobicContact CD2-CG2 4.15Å; L394-E546 VanDerWaalsContact CA-OE1 3.31Å; L394-E546 WeakPolarHBondContact CA-OE1 3.03Å; L394-E546 HydrophobicContact CB-CG 4.48Å; L394-E546 WeakPolarHBondContact CB-OE1 3.32Å; L394-E546 HydrophobicContact CD2-CB 4.04Å; L394-E546 HydrophobicContact CD2-CG 3.75Å
395	K	95.8	Very high	96.3	Very high	97 Å²	97	62.3 Å²	62.3	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-38.6	-166.3	-64.2	-46.9	-172.2	-167.7	0	113.7	H392 R393 T397 W398 D399 E546	H392-K395 PolarHBondContact CD2-NZ 2.99Å; H392-K395 PolarHBondContact NE2-NZ 2.95Å; H392-K395 WeakPolarHBondContact O-CE 3.25Å; H392-K395 PolarHBondContact O-NZ 2.92Å; R393-K395 PolarHBondContact O-N 3.48Å; K395-T397 PolarHBondContact O-N 3.31Å; K395-W398 PolarHBondContact O-N 3.35Å; K395-D399 WeakPolarHBondContact O-CB 3.44Å; K395-D399 VanDerWaalsContact O-CG 3.24Å; K395-D399 PolarHBondContact O-N 2.89Å; K395-E546 PolarHBondContact N-OE2 3.21Å
396	R	95.3	Very high	96.3	Very high	131 Å²	131	63.8 Å²	63.8	49%	0.494	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-30.9	176.1	-56.9	176.1	-63.9	167.3	5.8	111.5	P353 L394 E400 I545 E546	P353-R396 HydrophobicContact CB-CB 4.37Å; P353-R396 HydrophobicContact CG-CB 4.26Å; L394-R396 PolarHBondContact O-N 3.39Å; R396-E400 WeakPolarHBondContact O-CG 3.31Å; R396-I545 PolarHBondContact NH2-O 2.99Å; R396-E546 WeakPolarHBondContact CB-OE2 3.44Å; R396-E546 WeakPolarHBondContact CG-OE2 3.46Å; R396-E546 IonicContact CZ-OE2 3.01Å; R396-E546 PolarHBondContact N-OE1 2.97Å; R396-E546 PolarHBondContact N-OE2 2.94Å; R396-E546 IonicContact NE-OE2 3.8Å; R396-E546 PolarHBondContact NE-OE2 2.99Å
397	T	96.3	Very high	96.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69.9	-46.7	172.4	-53.3	0	0	0	0	111.2	R356 I360 L394 K395 D399 E400 E546	R356-T397 HydrophobicContact CB-CG2 3.77Å; R356-T397 HydrophobicContact CG-CG2 3.85Å; I360-T397 HydrophobicContact CD1-CG2 3.78Å; L394-T397 WeakPolarHBondContact O-CA 3.5Å; L394-T397 WeakPolarHBondContact O-CB 3.15Å; L394-T397 PolarHBondContact O-N 3.46Å; L394-T397 VanDerWaalsContact O-N 3.08Å; K395-T397 PolarHBondContact O-N 3.31Å; T397-D399 VanDerWaalsContact C-N 3.34Å; T397-D399 PolarHBondContact O-N 2.9Å; T397-E400 PolarHBondContact O-N 3.34Å; T397-E546 WeakPolarHBondContact CB-OE1 3.47Å; T397-E546 PolarHBondContact N-OE1 3.42Å; T397-E546 PolarHBondContact OG1-OE1 3.35Å
398	W	97.4	Very high	96.2	Very high	29 Å²	29	68.4 Å²	68.4	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-30.3	178.7	-79	103.1	0	0	0	114	I360 L386 I391 L394 K395 E400 V401 F409	I360-W398 HydrophobicContact CD1-CD2 4.43Å; I360-W398 HydrophobicContact CD1-CZ2 4.29Å; I360-W398 HydrophobicContact CG2-CE3 4.34Å; I360-W398 HydrophobicContact CG2-CH2 3.64Å; I360-W398 HydrophobicContact CG2-CZ2 4.13Å; I360-W398 HydrophobicContact CG2-CZ3 3.75Å; L386-W398 HydrophobicContact CB-CH2 4.38Å; L386-W398 HydrophobicContact CB-CZ2 4.4Å; I391-W398 HydrophobicContact CG2-CZ2 4.19Å; I391-W398 PolarHBondContact O-NE1 2.77Å; L394-W398 VanDerWaalsContact O-CD1 3.23Å; L394-W398 PolarHBondContact O-N 2.92Å; K395-W398 PolarHBondContact O-N 3.35Å; W398-E400 VanDerWaalsContact C-N 3.26Å; W398-E400 PolarHBondContact O-N 3.37Å; W398-V401 HydrophobicContact CE3-CG2 4.22Å; W398-V401 PolarHBondContact O-N 3.02Å; W398-F409 HydrophobicContact CH2-CD1 4.12Å; W398-F409 AromaticContact CH2-CE1 3.83Å; W398-F409 HydrophobicContact CH2-CE1 3.83Å; W398-F409 HydrophobicContact CH2-CE2 4.47Å; W398-F409 HydrophobicContact CH2-CZ 4.01Å; W398-F409 HydrophobicContact CZ3-CD1 4.15Å; W398-F409 HydrophobicContact CZ3-CE1 4.23Å
399	D	96.9	Very high	96.2	Very high	137 Å²	137	68.2 Å²	68.2	73%	0.733	31%	0.313	S	S	*	.	H	α-helix	trans	-68.4	-24	175.7	-71.6	-31.9	0	0	0	112.8	K395 T397	K395-D399 WeakPolarHBondContact O-CB 3.44Å; K395-D399 VanDerWaalsContact O-CG 3.24Å; K395-D399 PolarHBondContact O-N 2.89Å; T397-D399 VanDerWaalsContact C-N 3.34Å; T397-D399 PolarHBondContact O-N 2.9Å
400	E	97.8	Very high	96.2	Very high	114 Å²	114	70 Å²	70	53%	0.533	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	175.8	-66.3	-77.7	148.8	0	0	113.3	P353 N354 A357 R396 T397 W398	P353-E400 HydrophobicContact CB-CG 4.22Å; N354-E400 HydrophobicContact CB-CB 4.25Å; N354-E400 HydrophobicContact CB-CG 4.13Å; N354-E400 VanDerWaalsContact CB-OE2 3.27Å; N354-E400 WeakPolarHBondContact CB-OE2 3.45Å; A357-E400 HydrophobicContact CB-CB 3.95Å; R396-E400 WeakPolarHBondContact O-CG 3.31Å; T397-E400 PolarHBondContact O-N 3.34Å; W398-E400 VanDerWaalsContact C-N 3.26Å; W398-E400 PolarHBondContact O-N 3.37Å
401	V	97.7	Very high	96	Very high	8 Å²	8	74.7 Å²	74.7	5%	0.048	33%	0.334	C	S	.	.	S	Bend	trans	-72.8	134	178.3	178.3	0	0	0	0	110.5	A357 I360 E361 I364 W398 R403 V406	A357-V401 HydrophobicContact CB-CG2 3.8Å; I360-V401 HydrophobicContact CB-CG2 4.3Å; I360-V401 HydrophobicContact CG2-CG2 4.18Å; E361-V401 HydrophobicContact CG-CG1 3.84Å; I364-V401 HydrophobicContact CD1-CG1 4.5Å; W398-V401 HydrophobicContact CE3-CG2 4.22Å; W398-V401 PolarHBondContact O-N 3.02Å; V401-R403 PolarHBondContact O-N 3.35Å; V401-V406 HydrophobicContact CB-CG2 3.85Å; V401-V406 HydrophobicContact CG1-CG2 3.51Å
402	A	97.6	Very high	95.8	Very high	43 Å²	43	75.2 Å²	75.2	36%	0.355	34%	0.337	S	S	.	.			trans	-54.2	131.5	179.1	0	0	0	0	0	112.5	E361 E404 S405 V406	E361-A402 WeakPolarHBondContact OE1-CB 3.46Å; E361-A402 PolarHBondContact OE1-N 3.08Å; A402-E404 PolarHBondContact O-N 2.88Å; A402-S405 WeakPolarHBondContact O-CB 3.49Å; A402-S405 PolarHBondContact O-N 2.84Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 2.8Å
403	R	96.8	Very high	95.6	Very high	232 Å²	232	71.8 Å²	71.8	88%	0.875	32%	0.323	S	S	*	.	H	α-helix	trans	-57.8	-24.4	-176.1	-64.9	-179	-179.9	175.2	0.5	114.2	V401 R407	V401-R403 PolarHBondContact O-N 3.35Å; R403-R407 PolarHBondContact O-N 2.96Å
404	E	96.2	Very high	95.3	Very high	145 Å²	145	75.3 Å²	75.3	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-72.9	-50	174.1	-173.4	152.9	-140.5	0	0	111	A402 V406 R407 T408	A402-E404 PolarHBondContact O-N 2.88Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 3.49Å; E404-R407 CarbonylContact O-C 3.5Å; E404-R407 WeakPolarHBondContact O-CA 3.25Å; E404-R407 WeakPolarHBondContact O-CB 3.45Å; E404-R407 PolarHBondContact O-N 3.1Å; E404-T408 PolarHBondContact O-N 2.9Å; E404-T408 PolarHBondContact O-OG1 2.72Å
405	S	96.2	Very high	94.8	Very high	19 Å²	19	76 Å²	76	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-42.1	172	-44.6	0	0	0	0	112	A402 R407 T408 F409	A402-S405 WeakPolarHBondContact O-CB 3.49Å; A402-S405 PolarHBondContact O-N 2.84Å; S405-R407 VanDerWaalsContact C-N 3.26Å; S405-R407 PolarHBondContact O-N 3.24Å; S405-T408 PolarHBondContact O-N 3.32Å; S405-F409 WeakPolarHBondContact O-CB 3.35Å; S405-F409 PolarHBondContact O-N 2.8Å
406	V	96.8	Very high	94.2	Very high	30 Å²	30	71.7 Å²	71.7	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-24	175	-171.5	0	0	0	0	112.8	V401 A402 E404 R410	V401-V406 HydrophobicContact CB-CG2 3.85Å; V401-V406 HydrophobicContact CG1-CG2 3.51Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 2.8Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 3.49Å; V406-R410 PolarHBondContact O-NE 2.84Å
407	R	96.4	Very high	93.4	Very high	149 Å²	149	67.2 Å²	67.2	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-74.6	-52.9	169.4	168.2	-174.9	-75.9	152.7	-5.4	110.1	R403 E404 S405 F409 R410 E411	R403-R407 PolarHBondContact O-N 2.96Å; E404-R407 CarbonylContact O-C 3.5Å; E404-R407 WeakPolarHBondContact O-CA 3.25Å; E404-R407 WeakPolarHBondContact O-CB 3.45Å; E404-R407 PolarHBondContact O-N 3.1Å; S405-R407 VanDerWaalsContact C-N 3.26Å; S405-R407 PolarHBondContact O-N 3.24Å; R407-F409 VanDerWaalsContact C-N 3.25Å; R407-F409 PolarHBondContact O-N 3.21Å; R407-R410 WeakPolarHBondContact O-CA 3.28Å; R407-R410 WeakPolarHBondContact O-CB 3.38Å; R407-R410 PolarHBondContact O-N 2.76Å; R407-E411 VanDerWaalsContact CD-OE1 3.23Å; R407-E411 WeakPolarHBondContact CD-OE1 3.36Å; R407-E411 HydrophobicContact CG-CG 4.18Å; R407-E411 WeakPolarHBondContact CG-OE1 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.29Å; R407-E411 PolarHBondContact O-N 3.33Å
408	T	94.7	Very high	92.3	Very high	23 Å²	23	71.7 Å²	71.7	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-56.9	-39.9	179.2	-59.5	0	0	0	0	111.7	I364 R368 E404 S405 R410 E411 L412	I364-T408 HydrophobicContact CG2-CG2 4.07Å; R368-T408 HydrophobicContact CB-CG2 4.36Å; E404-T408 PolarHBondContact O-N 2.9Å; E404-T408 PolarHBondContact O-OG1 2.72Å; S405-T408 PolarHBondContact O-N 3.32Å; T408-R410 VanDerWaalsContact C-N 3.31Å; T408-R410 PolarHBondContact O-N 3.24Å; T408-E411 PolarHBondContact O-N 3.14Å; T408-L412 HydrophobicContact CG2-CD1 3.92Å; T408-L412 HydrophobicContact CG2-CG 4.26Å; T408-L412 WeakPolarHBondContact O-CB 3.38Å; T408-L412 VanDerWaalsContact O-CG 3.25Å; T408-L412 WeakPolarHBondContact O-CG 3.33Å; T408-L412 PolarHBondContact O-N 3.28Å
409	F	96.1	Very high	90.9	Very high	26 Å²	26	75.9 Å²	75.9	11%	0.114	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-37.8	173.7	176.2	-115.2	0	0	0	113.3	I364 L383 L386 Q387 W398 S405 R407 S413	I364-F409 HydrophobicContact CD1-CB 3.87Å; I364-F409 HydrophobicContact CD1-CG 4.35Å; I364-F409 HydrophobicContact CG1-CB 4.03Å; I364-F409 HydrophobicContact CG1-CD2 4.2Å; I364-F409 HydrophobicContact CG1-CG 4.41Å; I364-F409 HydrophobicContact CG2-CB 4.33Å; L383-F409 HydrophobicContact CD2-CD2 3.75Å; L383-F409 HydrophobicContact CD2-CE2 3.75Å; L386-F409 HydrophobicContact CB-CE2 3.68Å; L386-F409 HydrophobicContact CB-CZ 4Å; L386-F409 HydrophobicContact CD1-CD2 4.13Å; L386-F409 HydrophobicContact CD1-CE2 3.95Å; L386-F409 HydrophobicContact CG-CE2 4.49Å; Q387-F409 HydrophobicContact CG-CZ 3.88Å; W398-F409 HydrophobicContact CH2-CD1 4.12Å; W398-F409 AromaticContact CH2-CE1 3.83Å; W398-F409 HydrophobicContact CH2-CE1 3.83Å; W398-F409 HydrophobicContact CH2-CE2 4.47Å; W398-F409 HydrophobicContact CH2-CZ 4.01Å; W398-F409 HydrophobicContact CZ3-CD1 4.15Å; W398-F409 HydrophobicContact CZ3-CE1 4.23Å; S405-F409 WeakPolarHBondContact O-CB 3.35Å; S405-F409 PolarHBondContact O-N 2.8Å; R407-F409 VanDerWaalsContact C-N 3.25Å; R407-F409 PolarHBondContact O-N 3.21Å; F409-S413 VanDerWaalsContact O-CB 3.28Å; F409-S413 WeakPolarHBondContact O-CB 3.38Å; F409-S413 PolarHBondContact O-N 2.94Å; F409-S413 PolarHBondContact O-OG 2.93Å
410	R	94.1	Very high	89.5	Confident	147 Å²	147	75.7 Å²	75.7	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-72.1	-48	175.1	-76.9	179.8	-103.2	177.7	-13.7	111.8	V406 R407 T408 L412 S413 E414	V406-R410 PolarHBondContact O-NE 2.84Å; R407-R410 WeakPolarHBondContact O-CA 3.28Å; R407-R410 WeakPolarHBondContact O-CB 3.38Å; R407-R410 PolarHBondContact O-N 2.76Å; T408-R410 VanDerWaalsContact C-N 3.31Å; T408-R410 PolarHBondContact O-N 3.24Å; R410-L412 PolarHBondContact O-N 3.37Å; R410-S413 CarbonylContact O-C 3.59Å; R410-S413 WeakPolarHBondContact O-CA 3.48Å; R410-S413 WeakPolarHBondContact O-CB 3.39Å; R410-S413 PolarHBondContact O-N 3.25Å; R410-E414 WeakPolarHBondContact O-CG 3.49Å; R410-E414 PolarHBondContact O-N 2.87Å
411	E	92.3	Very high	88.2	Confident	101 Å²	101	74.4 Å²	74.4	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-35.1	176.9	-67.3	168.7	170.7	0	0	112	R407 T408	R407-E411 VanDerWaalsContact CD-OE1 3.23Å; R407-E411 WeakPolarHBondContact CD-OE1 3.36Å; R407-E411 HydrophobicContact CG-CG 4.18Å; R407-E411 WeakPolarHBondContact CG-OE1 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.29Å; R407-E411 PolarHBondContact O-N 3.33Å; T408-E411 PolarHBondContact O-N 3.14Å
412	L	91.5	Very high	87	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-76.3	-34.4	172.1	-68.8	175.5	0	0	0	113	A367 R368 R371 L379 L383 T408 R410 I415	A367-L412 HydrophobicContact CB-CD1 3.96Å; R368-L412 HydrophobicContact CB-CD1 4.21Å; R371-L412 HydrophobicContact CB-CD2 3.73Å; R371-L412 HydrophobicContact CG-CD2 3.82Å; L379-L412 HydrophobicContact CD1-CB 4.42Å; L379-L412 HydrophobicContact CD1-CD1 4.4Å; L379-L412 HydrophobicContact CD1-CD2 4.19Å; L383-L412 HydrophobicContact CD1-CB 4.24Å; L383-L412 VanDerWaalsContact CD1-O 3.32Å; L383-L412 WeakPolarHBondContact CD1-O 3.43Å; L383-L412 HydrophobicContact CD2-CB 4.05Å; T408-L412 HydrophobicContact CG2-CD1 3.92Å; T408-L412 HydrophobicContact CG2-CG 4.26Å; T408-L412 WeakPolarHBondContact O-CB 3.38Å; T408-L412 VanDerWaalsContact O-CG 3.25Å; T408-L412 WeakPolarHBondContact O-CG 3.33Å; T408-L412 PolarHBondContact O-N 3.28Å; R410-L412 PolarHBondContact O-N 3.37Å; L412-I415 HydrophobicContact CD2-CD1 4.15Å; L412-I415 WeakPolarHBondContact O-CB 3.27Å; L412-I415 PolarHBondContact O-N 3.49Å
413	S	91	Very high	85.8	Confident	22 Å²	22	76.7 Å²	76.7	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-38.4	175.9	-65	0	0	0	0	112.4	Q387 F409 R410 I415 F416 S417	Q387-S413 PolarHBondContact NE2-OG 3.47Å; F409-S413 VanDerWaalsContact O-CB 3.28Å; F409-S413 WeakPolarHBondContact O-CB 3.38Å; F409-S413 PolarHBondContact O-N 2.94Å; F409-S413 PolarHBondContact O-OG 2.93Å; R410-S413 CarbonylContact O-C 3.59Å; R410-S413 WeakPolarHBondContact O-CA 3.48Å; R410-S413 WeakPolarHBondContact O-CB 3.39Å; R410-S413 PolarHBondContact O-N 3.25Å; S413-I415 PolarHBondContact O-N 2.73Å; S413-F416 CarbonylContact O-C 3.49Å; S413-F416 PolarHBondContact O-N 3.28Å; S413-S417 PolarHBondContact O-N 2.95Å
414	E	88.7	Confident	84.5	Confident	116 Å²	116	69 Å²	69	54%	0.542	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.4	177.7	-75.4	165.8	-156.6	0	0	112.5	R410 F416 S417	R410-E414 WeakPolarHBondContact O-CG 3.49Å; R410-E414 PolarHBondContact O-N 2.87Å; E414-F416 PolarHBondContact O-N 3.2Å; E414-S417 PolarHBondContact O-N 3.36Å; E414-S417 PolarHBondContact O-OG 3.44Å
415	I	84.9	Confident	83.5	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.072	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33.2	173.5	-61.1	174.8	0	0	0	111.9	R371 F376 L412 S413 S425 L428	R371-I415 HydrophobicContact CG-CD1 4.25Å; F376-I415 HydrophobicContact CD1-CG2 4.47Å; F376-I415 HydrophobicContact CE1-CG2 4.37Å; L412-I415 HydrophobicContact CD2-CD1 4.15Å; L412-I415 WeakPolarHBondContact O-CB 3.27Å; L412-I415 PolarHBondContact O-N 3.49Å; S413-I415 PolarHBondContact O-N 2.73Å; I415-S425 WeakPolarHBondContact O-CB 3.46Å; I415-S425 PolarHBondContact O-N 3.15Å; I415-L428 HydrophobicContact CG1-CD1 4.41Å; I415-L428 HydrophobicContact CG2-CD1 3.96Å
416	F	82.7	Confident	82.6	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.035	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-118.1	25.8	-176.3	-57.7	-94.3	0	0	0	112.7	F376 L379 R380 L383 S413 E414	F376-F416 HydrophobicContact CB-CE1 4.38Å; F376-F416 HydrophobicContact CB-CZ 3.97Å; F376-F416 AromaticContact CD1-CZ 3.89Å; F376-F416 HydrophobicContact CD1-CZ 3.89Å; F376-F416 HydrophobicContact CG-CZ 4.45Å; L379-F416 HydrophobicContact CD2-CE2 3.6Å; L379-F416 HydrophobicContact CD2-CZ 4.02Å; L379-F416 HydrophobicContact CG-CE2 3.68Å; L379-F416 HydrophobicContact CG-CZ 4.15Å; R380-F416 HydrophobicContact CB-CD1 4.16Å; R380-F416 HydrophobicContact CB-CE1 3.81Å; R380-F416 HydrophobicContact CB-CE2 4.46Å; R380-F416 HydrophobicContact CB-CZ 3.96Å; R380-F416 HydrophobicContact CG-CD1 4.11Å; R380-F416 HydrophobicContact CG-CE1 4.24Å; L383-F416 HydrophobicContact CD1-CD2 3.9Å; L383-F416 HydrophobicContact CD1-CE2 4.15Å; S413-F416 CarbonylContact O-C 3.49Å; S413-F416 PolarHBondContact O-N 3.28Å; E414-F416 PolarHBondContact O-N 3.2Å
417	S	79.8	Confident	81.5	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	33%	0.326	S	S	.	.			trans	-64.6	149.4	168.7	70.1	0	0	0	0	110.1	S413 E414 D419 Y422	S413-S417 PolarHBondContact O-N 2.95Å; E414-S417 PolarHBondContact O-N 3.36Å; E414-S417 PolarHBondContact O-OG 3.44Å; S417-D419 WeakPolarHBondContact CB-OD2 3.41Å; S417-D419 PolarHBondContact O-N 2.98Å; S417-D419 VanDerWaalsContact O-N 3.14Å; S417-D419 WeakPolarHBondContact OG-CB 3.49Å; S417-D419 PolarHBondContact OG-OD2 3.29Å; S417-Y422 VanDerWaalsContact O-CD1 3.22Å; S417-Y422 WeakPolarHBondContact O-CD1 3.47Å
418	D	73.3	Confident	80.6	Confident	95 Å²	95	61.3 Å²	61.3	51%	0.508	31%	0.305	S	S	.	.	S	Bend	trans	-71.2	-3.3	178.9	-49.3	-72.5	0	0	0	112.3	N420 N421 Y422	D418-N420 PolarHBondContact O-N 3.49Å; D418-N421 PolarHBondContact O-N 3.43Å; D418-Y422 HydrophobicContact CB-CE1 4.26Å; D418-Y422 WeakPolarHBondContact OD1-CE1 3.09Å; D418-Y422 PolarHBondContact OD1-OH 3.43Å
419	D	67.3	Low	79.7	Confident	116 Å²	116	60.8 Å²	60.8	62%	0.62	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.1	179.4	-64.3	-57.7	0	0	0	111.5	S417 N421 Y422 S423	S417-D419 WeakPolarHBondContact CB-OD2 3.41Å; S417-D419 PolarHBondContact O-N 2.98Å; S417-D419 VanDerWaalsContact O-N 3.14Å; S417-D419 WeakPolarHBondContact OG-CB 3.49Å; S417-D419 PolarHBondContact OG-OD2 3.29Å; D419-N421 PolarHBondContact O-N 3.07Å; D419-N421 VanDerWaalsContact O-N 3.14Å; D419-Y422 PolarHBondContact O-N 3.01Å; D419-Y422 VanDerWaalsContact O-N 3.17Å; D419-S423 PolarHBondContact O-N 3.45Å
420	N	67.7	Low	78.4	Confident	133 Å²	133	63.3 Å²	63.3	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38	176.2	-168	44.7	0	0	0	113.4	D418 S423	D418-N420 PolarHBondContact O-N 3.49Å; N420-S423 VanDerWaalsContact ND2-CB 3.27Å; N420-S423 WeakPolarHBondContact ND2-CB 3.22Å; N420-S423 PolarHBondContact ND2-OG 3.5Å; N420-S423 WeakPolarHBondContact O-CB 3.27Å
421	N	71.6	Confident	77.2	Confident	88 Å²	88	62.3 Å²	62.3	47%	0.471	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	58.3	-176.1	-177.9	10.6	0	0	0	112	D418 D419 S423 R426	D418-N421 PolarHBondContact O-N 3.43Å; D419-N421 PolarHBondContact O-N 3.07Å; D419-N421 VanDerWaalsContact O-N 3.14Å; N421-S423 PolarHBondContact O-N 3.2Å; N421-R426 PolarHBondContact ND2-NH2 3.48Å; N421-R426 WeakPolarHBondContact O-CD 3.38Å; N421-R426 PolarHBondContact O-NE 3.03Å; N421-R426 PolarHBondContact OD1-NH2 3.18Å
422	Y	71.1	Confident	76	Confident	56 Å²	56	59.9 Å²	59.9	22%	0.22	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	31.8	178.2	-51.2	-70.4	0	0	0	114	S417 D418 D419 L424 S425 R426	S417-Y422 VanDerWaalsContact O-CD1 3.22Å; S417-Y422 WeakPolarHBondContact O-CD1 3.47Å; D418-Y422 HydrophobicContact CB-CE1 4.26Å; D418-Y422 WeakPolarHBondContact OD1-CE1 3.09Å; D418-Y422 PolarHBondContact OD1-OH 3.43Å; D419-Y422 PolarHBondContact O-N 3.01Å; D419-Y422 VanDerWaalsContact O-N 3.17Å; Y422-L424 PolarHBondContact O-N 3.12Å; Y422-S425 PolarHBondContact O-N 3.47Å; Y422-S425 VanDerWaalsContact O-N 3.09Å; Y422-S425 PolarHBondContact O-OG 3.06Å; Y422-R426 WeakPolarHBondContact O-CG 3.29Å; Y422-R426 PolarHBondContact O-N 3.36Å; Y422-R426 VanDerWaalsContact O-N 3.12Å
423	S	73.7	Confident	74.5	Confident	43 Å²	43	59.7 Å²	59.7	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-30.6	-166.9	66.1	0	0	0	0	113.2	D419 N420 N421 E427	D419-S423 PolarHBondContact O-N 3.45Å; N420-S423 VanDerWaalsContact ND2-CB 3.27Å; N420-S423 WeakPolarHBondContact ND2-CB 3.22Å; N420-S423 PolarHBondContact ND2-OG 3.5Å; N420-S423 WeakPolarHBondContact O-CB 3.27Å; N421-S423 PolarHBondContact O-N 3.2Å; S423-E427 WeakPolarHBondContact O-CB 3.38Å; S423-E427 PolarHBondContact O-N 2.95Å
424	L	69.6	Low	72.8	Confident	71 Å²	71	60.5 Å²	60.5	37%	0.372	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-45	176.9	-176.4	54.4	0	0	0	112.7	Y422 R426 E427 L428	Y422-L424 PolarHBondContact O-N 3.12Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 3.25Å; L424-E427 PolarHBondContact O-N 3.3Å; L424-L428 HydrophobicContact CD1-CD1 4.04Å; L424-L428 HydrophobicContact CD1-CG 4.12Å; L424-L428 HydrophobicContact CG-CD1 4.13Å; L424-L428 WeakPolarHBondContact O-CB 3.47Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å
425	S	74.7	Confident	70.9	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-39.3	175.6	72.5	0	0	0	0	111.6	I415 Y422 L428 L429	I415-S425 WeakPolarHBondContact O-CB 3.46Å; I415-S425 PolarHBondContact O-N 3.15Å; Y422-S425 PolarHBondContact O-N 3.47Å; Y422-S425 VanDerWaalsContact O-N 3.09Å; Y422-S425 PolarHBondContact O-OG 3.06Å; S425-L428 PolarHBondContact O-N 3.46Å; S425-L429 WeakPolarHBondContact O-CB 3.22Å; S425-L429 VanDerWaalsContact O-CG 3.27Å; S425-L429 WeakPolarHBondContact O-CG 3.4Å; S425-L429 PolarHBondContact O-N 3.04Å
426	R	76.5	Confident	68.9	Low	64 Å²	64	67.2 Å²	67.2	24%	0.242	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-47.2	176	-64.3	175.1	-176.5	-85.7	8	111.8	N421 Y422 L424 L428 L429 V430 T469 D473	N421-R426 PolarHBondContact ND2-NH2 3.48Å; N421-R426 WeakPolarHBondContact O-CD 3.38Å; N421-R426 PolarHBondContact O-NE 3.03Å; N421-R426 PolarHBondContact OD1-NH2 3.18Å; Y422-R426 WeakPolarHBondContact O-CG 3.29Å; Y422-R426 PolarHBondContact O-N 3.36Å; Y422-R426 VanDerWaalsContact O-N 3.12Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 3.25Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 2.84Å; R426-L429 PolarHBondContact O-N 3.16Å; R426-V430 WeakPolarHBondContact O-CG2 3.41Å; R426-V430 PolarHBondContact O-N 3.47Å; R426-T469 HydrophobicContact CG-CG2 4.45Å; R426-T469 VanDerWaalsContact CZ-CG2 3.42Å; R426-D473 IonicContact CZ-OD1 3.45Å; R426-D473 IonicContact CZ-OD2 2.71Å; R426-D473 IonicContact NH1-OD1 3.84Å; R426-D473 PolarHBondContact NH1-OD1 3.42Å; R426-D473 IonicContact NH1-OD2 2.73Å; R426-D473 PolarHBondContact NH1-OD2 2.83Å; R426-D473 IonicContact NH2-OD1 3.99Å; R426-D473 PolarHBondContact NH2-OD1 3.35Å; R426-D473 IonicContact NH2-OD2 2.63Å; R426-D473 PolarHBondContact NH2-OD2 3.13Å
427	E	74.6	Confident	66.8	Low	90 Å²	90	74.3 Å²	74.3	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-42.6	177.4	-172.9	-170.2	147.5	0	0	111.4	S423 L424 V430 K431	S423-E427 WeakPolarHBondContact O-CB 3.38Å; S423-E427 PolarHBondContact O-N 2.95Å; L424-E427 PolarHBondContact O-N 3.3Å; E427-V430 PolarHBondContact O-N 3.03Å; E427-K431 HydrophobicContact CG-CD 3.99Å; E427-K431 HydrophobicContact CG-CG 4.46Å; E427-K431 WeakPolarHBondContact O-CB 3.41Å; E427-K431 WeakPolarHBondContact O-CG 3.28Å; E427-K431 PolarHBondContact O-N 2.95Å; E427-K431 VanDerWaalsContact OE1-CE 3.29Å; E427-K431 WeakPolarHBondContact OE1-CE 3.36Å; E427-K431 IonicContact OE1-NZ 3.21Å; E427-K431 PolarHBondContact OE1-NZ 2.88Å
428	L	76.3	Confident	64.8	Low	25 Å²	25	76.1 Å²	76.1	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-42.2	175.6	-70.3	172.5	0	0	0	111.9	F376 I415 L424 S425 R426 V430 K431 E432	F376-L428 HydrophobicContact CE1-CB 4.35Å; F376-L428 HydrophobicContact CE1-CD1 4.5Å; F376-L428 HydrophobicContact CZ-CB 4.22Å; I415-L428 HydrophobicContact CG1-CD1 4.41Å; I415-L428 HydrophobicContact CG2-CD1 3.96Å; L424-L428 HydrophobicContact CD1-CD1 4.04Å; L424-L428 HydrophobicContact CD1-CG 4.12Å; L424-L428 HydrophobicContact CG-CD1 4.13Å; L424-L428 WeakPolarHBondContact O-CB 3.47Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å; S425-L428 PolarHBondContact O-N 3.46Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 2.84Å; L428-V430 VanDerWaalsContact C-N 3.33Å; L428-V430 PolarHBondContact O-N 3Å; L428-K431 PolarHBondContact O-N 3.28Å; L428-E432 WeakPolarHBondContact O-CA 3.37Å; L428-E432 WeakPolarHBondContact O-CB 3.4Å; L428-E432 WeakPolarHBondContact O-CG 3.26Å; L428-E432 PolarHBondContact O-N 2.99Å
429	L	76.2	Confident	62.9	Low	12 Å²	12	77.8 Å²	77.8	6%	0.063	41%	0.411	C	S	.	.	H	α-helix	trans	-61.5	-39.6	175.1	-74.9	169.8	0	0	0	112.2	F376 S425 R426 G433 T463 P465 F470	F376-L429 HydrophobicContact CD2-CD2 3.6Å; F376-L429 HydrophobicContact CD2-CG 4.49Å; F376-L429 HydrophobicContact CE2-CD2 3.96Å; F376-L429 HydrophobicContact CG-CD2 4.18Å; S425-L429 WeakPolarHBondContact O-CB 3.22Å; S425-L429 VanDerWaalsContact O-CG 3.27Å; S425-L429 WeakPolarHBondContact O-CG 3.4Å; S425-L429 PolarHBondContact O-N 3.04Å; R426-L429 PolarHBondContact O-N 3.16Å; L429-G433 VanDerWaalsContact O-CA 3.28Å; L429-G433 WeakPolarHBondContact O-CA 3.45Å; L429-G433 PolarHBondContact O-N 2.72Å; L429-T463 HydrophobicContact CD2-CG2 3.78Å; L429-P465 HydrophobicContact CD1-CB 4.17Å; L429-P465 HydrophobicContact CD2-CB 4.01Å; L429-F470 HydrophobicContact CD1-CE2 4.02Å; L429-F470 HydrophobicContact CD1-CZ 4.26Å
430	V	70.1	Confident	61.4	Low	78 Å²	78	79.4 Å²	79.4	47%	0.473	42%	0.418	S	S	.	.	H	α-helix	trans	-66.7	-54.5	173.6	173.1	0	0	0	0	110.8	R426 E427 L428 E432 T434	R426-V430 WeakPolarHBondContact O-CG2 3.41Å; R426-V430 PolarHBondContact O-N 3.47Å; E427-V430 PolarHBondContact O-N 3.03Å; L428-V430 VanDerWaalsContact C-N 3.33Å; L428-V430 PolarHBondContact O-N 3Å; V430-E432 PolarHBondContact O-N 2.69Å; V430-T434 WeakPolarHBondContact O-CB 3.42Å; V430-T434 PolarHBondContact O-N 2.73Å; V430-T434 VanDerWaalsContact O-N 3.07Å; V430-T434 PolarHBondContact O-OG1 3.3Å
431	K	68.1	Low	59.5	Low	127 Å²	127	80.8 Å²	80.8	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-38.1	-174.9	-74.4	-177.8	175.6	178.1	0	113.4	E427 L428	E427-K431 HydrophobicContact CG-CD 3.99Å; E427-K431 HydrophobicContact CG-CG 4.46Å; E427-K431 WeakPolarHBondContact O-CB 3.41Å; E427-K431 WeakPolarHBondContact O-CG 3.28Å; E427-K431 PolarHBondContact O-N 2.95Å; E427-K431 VanDerWaalsContact OE1-CE 3.29Å; E427-K431 WeakPolarHBondContact OE1-CE 3.36Å; E427-K431 IonicContact OE1-NZ 3.21Å; E427-K431 PolarHBondContact OE1-NZ 2.88Å; L428-K431 PolarHBondContact O-N 3.28Å
432	E	67.9	Low	57.9	Low	50 Å²	50	83.7 Å²	83.7	23%	0.234	44%	0.435	C	S	.	.	H	α-helix	trans	-97.6	-25.3	-173.7	-60.7	-169	-175.5	0	0	113.7	R371 K374 L428 V430	R371-E432 IonicContact CZ-OE1 3.06Å; R371-E432 IonicContact CZ-OE2 3.43Å; R371-E432 IonicContact NH1-OE1 2.6Å; R371-E432 IonicContact NH1-OE2 3.42Å; R371-E432 PolarHBondContact NH1-OE2 3.42Å; R371-E432 IonicContact NH2-OE1 3.71Å; R371-E432 PolarHBondContact NH2-OE1 3.31Å; R371-E432 IonicContact NH2-OE2 3.51Å; R371-E432 PolarHBondContact NH2-OE2 2.61Å; K374-E432 HydrophobicContact CD-CB 4.04Å; K374-E432 PolarHBondContact NZ-O 3.43Å; L428-E432 WeakPolarHBondContact O-CA 3.37Å; L428-E432 WeakPolarHBondContact O-CB 3.4Å; L428-E432 WeakPolarHBondContact O-CG 3.26Å; L428-E432 PolarHBondContact O-N 2.99Å; V430-E432 PolarHBondContact O-N 2.69Å
433	G	58.1	Low	56.1	Low	8 Å²	8	85.3 Å²	85.3	8%	0.082	45%	0.447	C	S	.	.	H	α-helix	trans	-90.9	-24.4	176.5	0	0	0	0	0	114.5	L429	L429-G433 VanDerWaalsContact O-CA 3.28Å; L429-G433 WeakPolarHBondContact O-CA 3.45Å; L429-G433 PolarHBondContact O-N 2.72Å
434	T	55.4	Low	54.3	Low	39 Å²	39	87.8 Å²	87.8	24%	0.239	46%	0.462	C	S	.	.			trans	-106.7	64.1	-179.3	77.6	0	0	0	0	112.1	V430 K436 F437 L507	V430-T434 WeakPolarHBondContact O-CB 3.42Å; V430-T434 PolarHBondContact O-N 2.73Å; V430-T434 VanDerWaalsContact O-N 3.07Å; V430-T434 PolarHBondContact O-OG1 3.3Å; T434-K436 PolarHBondContact O-N 3.43Å; T434-F437 PolarHBondContact O-N 2.88Å; T434-L507 HydrophobicContact CG2-CD2 3.61Å; T434-L507 HydrophobicContact CG2-CG 4.42Å
435	S	49.9	Very low	52.7	Low	77 Å²	77	92.3 Å²	92.3	54%	0.538	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	39.7	-170.7	-168.2	0	0	0	0	116.4
436	K	43.3	Very low	51	Low	193 Å²	193	101.5 Å²	101.5	84%	0.839	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-14.7	158.9	-67.9	-173.1	177.6	-178.3	0	112.7	T434	T434-K436 PolarHBondContact O-N 3.43Å
437	F	37.9	Very low	49.3	Very low	158 Å²	158	101.3 Å²	101.3	69%	0.693	53%	0.525	S	S	*	.	S	Bend	trans	-115.4	8.1	-174.4	-66.9	-72.9	0	0	0	115.5	T434 T439	T434-F437 PolarHBondContact O-N 2.88Å; F437-T439 PolarHBondContact O-N 2.96Å
438	A	36.9	Very low	47.8	Very low	74 Å²	74	103.5 Å²	103.5	61%	0.612	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	15.8	-176.6	0	0	0	0	0	115.8
439	T	34.7	Very low	46.1	Very low	130 Å²	130	111.7 Å²	111.7	80%	0.798	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	15.4	-168.8	-25.6	0	0	0	0	114	F437	F437-T439 PolarHBondContact O-N 2.96Å
440	L	34.6	Very low	44.4	Very low	149 Å²	149	119.8 Å²	119.8	78%	0.78	59%	0.594	S	S	*	*			trans	-124.2	81.2	171.9	-72.3	173.6	0	0	0	110.5
441	E	29.2	Very low	43.1	Very low	162 Å²	162	120.7 Å²	120.7	76%	0.757	59%	0.593	S	S	*	*	S	Bend	trans	-169.8	115.2	143.1	-105.1	-53.7	103.8	0	0	111.1	N443	E441-N443 PolarHBondContact O-N 3.48Å
442	I	37.4	Very low	41.8	Very low	150 Å²	150	120.5 Å²	120.5	77%	0.769	59%	0.594	S	S	*	*	S	Bend	trans	17.3	86.1	157.6	-46.3	176	0	0	0	118.5
443	N	32.4	Very low	40.5	Very low	89 Å²	89	124.4 Å²	124.4	48%	0.476	61%	0.613	S	S	.	*				153.8	104.3	125.8	-174.6	-20.1	0	0	0	112	E441 K445 R446 A447	E441-N443 PolarHBondContact O-N 3.48Å; N443-K445 VanDerWaalsContact C-N 3.3Å; N443-K445 PolarHBondContact O-N 3.12Å; N443-K445 PolarHBondContact OD1-N 3.45Å; N443-K445 VanDerWaalsContact OD1-N 3.09Å; N443-R446 PolarHBondContact O-N 2.84Å; N443-A447 PolarHBondContact O-N 2.63Å
444	P	36.4	Very low	40	Very low	95 Å²	95	128.8 Å²	128.8	62%	0.617	63%	0.631	S	S	*	*	H	α-helix	trans	-62	-33.4	-173.3	24.4	-33.7	0	0	0	113.6	R446 A447 Q448	P444-R446 VanDerWaalsContact C-N 3.26Å; P444-R446 PolarHBondContact O-N 3.48Å; P444-A447 PolarHBondContact O-N 3.4Å; P444-Q448 PolarHBondContact O-N 3.27Å
445	K	36	Very low	39.3	Very low	167 Å²	167	135.3 Å²	135.3	73%	0.726	65%	0.651	S	S	*	*	H	α-helix	trans	-70.6	-20.3	-175.6	-62.1	-174.9	-179.4	-178.9	0	113.3	N443	N443-K445 VanDerWaalsContact C-N 3.3Å; N443-K445 PolarHBondContact O-N 3.12Å; N443-K445 PolarHBondContact OD1-N 3.45Å; N443-K445 VanDerWaalsContact OD1-N 3.09Å
446	R	38.8	Very low	38.7	Very low	195 Å²	195	137.6 Å²	137.6	74%	0.736	66%	0.657	S	S	*	*	H	α-helix	trans	-92.7	-34.8	175.6	-150	174.7	-166.7	173.3	3.2	111.8	N443 P444	N443-R446 PolarHBondContact O-N 2.84Å; P444-R446 VanDerWaalsContact C-N 3.26Å; P444-R446 PolarHBondContact O-N 3.48Å
447	A	41.9	Very low	38.9	Very low	60 Å²	60	135 Å²	135	50%	0.496	65%	0.652	S	S	.	*	H	α-helix	trans	-60.9	-46.4	171.3	0	0	0	0	0	111.8	N443 P444 R449 R450 H451	N443-A447 PolarHBondContact O-N 2.63Å; P444-A447 PolarHBondContact O-N 3.4Å; A447-R449 VanDerWaalsContact C-N 3.33Å; A447-R449 PolarHBondContact O-N 3.07Å; A447-R450 PolarHBondContact O-N 2.84Å; A447-R450 VanDerWaalsContact O-N 3.14Å; A447-H451 WeakPolarHBondContact O-CB 3.42Å; A447-H451 PolarHBondContact O-N 3.31Å
448	Q	41.6	Very low	39	Very low	136 Å²	136	130 Å²	130	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-58	-38.2	-179	-106.6	167.8	-34.2	0	0	113.8	P444 H451 Q452	P444-Q448 PolarHBondContact O-N 3.27Å; Q448-H451 PolarHBondContact O-N 2.83Å; Q448-Q452 WeakPolarHBondContact O-CB 3.41Å; Q448-Q452 PolarHBondContact O-N 3.19Å
449	R	40.5	Very low	39.6	Very low	197 Å²	197	129.6 Å²	129.6	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-39.6	176.8	-72.1	-169.8	177.1	-166.6	-1.3	112.9	A447 Q452 Q453	A447-R449 VanDerWaalsContact C-N 3.33Å; A447-R449 PolarHBondContact O-N 3.07Å; R449-Q452 PolarHBondContact O-N 3.27Å; R449-Q453 PolarHBondContact O-N 2.8Å
450	R	41.5	Very low	40.4	Very low	182 Å²	182	127 Å²	127	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-65.1	-42.5	172.6	-76.2	-178.2	168.8	172.9	-5.6	111.3	A447 Q452 Q453 Q454	A447-R450 PolarHBondContact O-N 2.84Å; A447-R450 VanDerWaalsContact O-N 3.14Å; R450-Q452 VanDerWaalsContact C-N 3.3Å; R450-Q452 PolarHBondContact O-N 3.14Å; R450-Q453 PolarHBondContact O-N 2.86Å; R450-Q454 WeakPolarHBondContact O-CB 3.37Å; R450-Q454 VanDerWaalsContact O-CG 3.31Å; R450-Q454 WeakPolarHBondContact O-CG 3.48Å; R450-Q454 PolarHBondContact O-N 3.25Å
451	H	41.6	Very low	41.8	Very low	97 Å²	97	126.2 Å²	126.2	45%	0.449	61%	0.606	S	S	.	*	H	α-helix	trans	-69	-27.1	-179.9	-156.8	67.5	0	0	0	113.1	A447 Q448 R455	A447-H451 WeakPolarHBondContact O-CB 3.42Å; A447-H451 PolarHBondContact O-N 3.31Å; Q448-H451 PolarHBondContact O-N 2.83Å; H451-R455 PolarHBondContact CD2-NE 3.2Å; H451-R455 PolarHBondContact NE2-NE 3.24Å; H451-R455 PolarHBondContact NE2-NH2 3.12Å; H451-R455 WeakPolarHBondContact O-CG 3.44Å; H451-R455 PolarHBondContact O-N 2.94Å
452	Q	40.7	Very low	43.9	Very low	122 Å²	122	118.5 Å²	118.5	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-67.3	-55.5	169.2	-159	81.9	38.5	0	0	110.5	Q448 R449 R450 Q454 R455 D456	Q448-Q452 WeakPolarHBondContact O-CB 3.41Å; Q448-Q452 PolarHBondContact O-N 3.19Å; R449-Q452 PolarHBondContact O-N 3.27Å; R450-Q452 VanDerWaalsContact C-N 3.3Å; R450-Q452 PolarHBondContact O-N 3.14Å; Q452-Q454 VanDerWaalsContact C-N 3.27Å; Q452-Q454 PolarHBondContact O-N 2.7Å; Q452-R455 PolarHBondContact O-N 3.03Å; Q452-D456 PolarHBondContact O-N 3.47Å
453	Q	42	Very low	46.3	Very low	133 Å²	133	111.4 Å²	111.4	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-62.4	-30	-179.8	-70.7	-177.1	-58.9	0	0	113.5	R449 R450 R455 L457	R449-Q453 PolarHBondContact O-N 2.8Å; R450-Q453 PolarHBondContact O-N 2.86Å; Q453-R455 VanDerWaalsContact C-N 3.35Å; Q453-L457 PolarHBondContact O-N 3.29Å
454	Q	46.7	Very low	49.2	Very low	100 Å²	100	107.3 Å²	107.3	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-72.8	-23.8	174.2	-76	176.6	-38.8	0	0	113.7	R450 Q452 G458 V459	R450-Q454 WeakPolarHBondContact O-CB 3.37Å; R450-Q454 VanDerWaalsContact O-CG 3.31Å; R450-Q454 WeakPolarHBondContact O-CG 3.48Å; R450-Q454 PolarHBondContact O-N 3.25Å; Q452-Q454 VanDerWaalsContact C-N 3.27Å; Q452-Q454 PolarHBondContact O-N 2.7Å; Q454-G458 PolarHBondContact O-N 2.83Å; Q454-V459 HydrophobicContact CB-CG2 4.26Å; Q454-V459 HydrophobicContact CG-CG2 4.23Å; Q454-V459 PolarHBondContact O-N 2.97Å
455	R	41.7	Very low	51.9	Low	176 Å²	176	102.9 Å²	102.9	66%	0.664	48%	0.483	S	S	*	.	H	α-helix	trans	-79.4	-39	174.3	-74.9	177	-174.2	-145.4	1.1	111.8	H451 Q452 Q453 L457 G458	H451-R455 PolarHBondContact CD2-NE 3.2Å; H451-R455 PolarHBondContact NE2-NE 3.24Å; H451-R455 PolarHBondContact NE2-NH2 3.12Å; H451-R455 WeakPolarHBondContact O-CG 3.44Å; H451-R455 PolarHBondContact O-N 2.94Å; Q452-R455 PolarHBondContact O-N 3.03Å; Q453-R455 VanDerWaalsContact C-N 3.35Å; R455-L457 PolarHBondContact O-N 2.78Å; R455-G458 PolarHBondContact O-N 3.39Å
456	D	36.9	Very low	54.6	Low	124 Å²	124	97.5 Å²	97.5	66%	0.663	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.8	179.2	-59.4	-25.5	0	0	0	113.2	Q452	Q452-D456 PolarHBondContact O-N 3.47Å
457	L	46.5	Very low	57.1	Low	140 Å²	140	88.6 Å²	88.6	73%	0.733	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	7.4	179.8	-81.9	164.9	0	0	0	114.7	Q453 R455 V459	Q453-L457 PolarHBondContact O-N 3.29Å; R455-L457 PolarHBondContact O-N 2.78Å; L457-V459 VanDerWaalsContact C-N 3.28Å; L457-V459 HydrophobicContact CB-CG2 4.02Å; L457-V459 PolarHBondContact O-N 3.38Å; L457-V459 VanDerWaalsContact O-N 3.17Å
458	G	40.4	Very low	59.4	Low	51 Å²	51	86.5 Å²	86.5	53%	0.526	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	31.7	173.1	0	0	0	0	0	115.7	Q454 R455 M460	Q454-G458 PolarHBondContact O-N 2.83Å; R455-G458 PolarHBondContact O-N 3.39Å; G458-M460 PolarHBondContact O-N 3.46Å; G458-M460 VanDerWaalsContact O-N 3.09Å
459	V	49.4	Very low	61.7	Low	66 Å²	66	80.4 Å²	80.4	40%	0.4	38%	0.382	S	S	.	.			trans	-61.7	111.2	-163.8	-179.9	0	0	0	0	113.1	Q454 L457	Q454-V459 HydrophobicContact CB-CG2 4.26Å; Q454-V459 HydrophobicContact CG-CG2 4.23Å; Q454-V459 PolarHBondContact O-N 2.97Å; L457-V459 VanDerWaalsContact C-N 3.28Å; L457-V459 HydrophobicContact CB-CG2 4.02Å; L457-V459 PolarHBondContact O-N 3.38Å; L457-V459 VanDerWaalsContact O-N 3.17Å
460	M	51.8	Low	64.1	Low	76 Å²	76	71.6 Å²	71.6	37%	0.374	35%	0.349	S	S	.	.			trans	-61.8	132.5	-179.3	-61.2	-58.3	172	0	0	112.5	G458 G462 Y515 S516	G458-M460 PolarHBondContact O-N 3.46Å; G458-M460 VanDerWaalsContact O-N 3.09Å; M460-G462 PolarHBondContact O-N 3.14Å; M460-Y515 HydrophobicContact CB-CD1 4.19Å; M460-S516 VanDerWaalsContact CE-OG 3.26Å; M460-S516 WeakPolarHBondContact CE-OG 3.45Å; M460-S516 PolarHBondContact SD-OG 2.8Å
461	Q	63.3	Low	66.6	Low	133 Å²	133	63.3 Å²	63.3	62%	0.621	32%	0.318	S	S	*	.			trans	-86.6	45.3	-173.9	-65.2	-166.8	-5.9	0	0	113.9	N514	Q461-N514 HydrophobicContact CB-CB 4.23Å; Q461-N514 WeakPolarHBondContact O-CB 3.16Å; Q461-N514 PolarHBondContact O-ND2 2.92Å
462	G	74.6	Confident	69	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.			trans	-90.7	171.2	174.9	0	0	0	0	0	113.8	K374 M460 A511 Y515	K374-G462 WeakPolarHBondContact CD-O 3.25Å; M460-G462 PolarHBondContact O-N 3.14Å; G462-A511 WeakPolarHBondContact CA-O 3.5Å; G462-Y515 VanDerWaalsContact C-OH 3.31Å; G462-Y515 VanDerWaalsContact CA-CZ 3.46Å
463	T	88.1	Confident	71.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.297	C	S	.	.			trans	-157.1	133.5	163.5	-65.8	0	0	0	0	108.3	K374 F376 L429 L508 Y515	K374-T463 HydrophobicContact CB-CG2 4.43Å; K374-T463 WeakPolarHBondContact CD-OG1 3.49Å; F376-T463 HydrophobicContact CD2-CG2 4.11Å; F376-T463 HydrophobicContact CE2-CG2 4.01Å; L429-T463 HydrophobicContact CD2-CG2 3.78Å; T463-L508 HydrophobicContact CG2-CD2 3.99Å; T463-Y515 WeakPolarHBondContact CA-OH 3.37Å; T463-Y515 PolarHBondContact N-OH 2.78Å
464	I	92.3	Very high	73.7	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-116.8	117.6	174.3	-45.6	-178.5	0	0	0	108.7	T292 D295 A296 F299 K374 N375 F376 Y515	T292-I464 HydrophobicContact CG2-CD1 3.78Å; T292-I464 WeakPolarHBondContact O-CD1 3.4Å; D295-I464 HydrophobicContact CB-CD1 3.6Å; D295-I464 HydrophobicContact CB-CG2 4.26Å; A296-I464 HydrophobicContact CB-CD1 3.91Å; F299-I464 HydrophobicContact CB-CG2 4.29Å; F299-I464 HydrophobicContact CD1-CG2 4.36Å; F299-I464 HydrophobicContact CG-CG2 4.3Å; K374-I464 PolarHBondContact O-N 2.97Å; N375-I464 HydrophobicContact CB-CD1 4.35Å; F376-I464 WeakPolarHBondContact CA-O 3.35Å; F376-I464 VanDerWaalsContact CB-O 3.32Å; F376-I464 WeakPolarHBondContact CB-O 3.43Å; F376-I464 PolarHBondContact N-O 3.36Å; I464-Y515 HydrophobicContact CD1-CE2 3.97Å; I464-Y515 HydrophobicContact CG1-CD2 4.48Å; I464-Y515 HydrophobicContact CG1-CE2 3.52Å
465	P	92.6	Very high	75.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.013	26%	0.257	C	S	.	.			trans	-74.4	152.2	176.3	29.9	-33.2	0	0	0	112.3	F299 L429 L467 F470 L508	F299-P465 HydrophobicContact CD2-CG 4.41Å; F299-P465 VanDerWaalsContact CE1-CD 3.49Å; F299-P465 HydrophobicContact CE1-CG 4.05Å; F299-P465 HydrophobicContact CE2-CG 3.62Å; F299-P465 VanDerWaalsContact CZ-CD 3.42Å; F299-P465 HydrophobicContact CZ-CG 3.41Å; F299-P465 VanDerWaalsContact CZ-CG 3.41Å; L429-P465 HydrophobicContact CD1-CB 4.17Å; L429-P465 HydrophobicContact CD2-CB 4.01Å; P465-L467 PolarHBondContact O-N 2.89Å; P465-L467 VanDerWaalsContact O-N 3.16Å; P465-F470 HydrophobicContact CB-CD2 4.31Å; P465-F470 HydrophobicContact CB-CE2 3.59Å; P465-F470 HydrophobicContact CB-CZ 4.31Å; P465-F470 HydrophobicContact CG-CE2 4.36Å; P465-L508 HydrophobicContact CB-CD1 4Å; P465-L508 HydrophobicContact CG-CD1 3.88Å
466	Y	92.9	Very high	78.3	Confident	53 Å²	53	45.3 Å²	45.3	21%	0.208	25%	0.252	C	S	.	.			trans	-70	105.1	155.1	172.8	-114	0	0	0	108.5	F334 R380 G468 T469	F334-Y466 HydrophobicContact CD2-CD2 4.07Å; F334-Y466 HydrophobicContact CD2-CE2 4.01Å; F334-Y466 HydrophobicContact CE1-CE2 4.47Å; F334-Y466 AromaticContact CE2-CD2 3.62Å; F334-Y466 HydrophobicContact CE2-CD2 3.62Å; F334-Y466 AromaticContact CE2-CE2 3.47Å; F334-Y466 HydrophobicContact CE2-CE2 3.47Å; F334-Y466 VanDerWaalsContact CE2-CE2 3.47Å; F334-Y466 HydrophobicContact CZ-CD2 4.33Å; F334-Y466 AromaticContact CZ-CE2 3.76Å; F334-Y466 HydrophobicContact CZ-CE2 3.76Å; R380-Y466 HydrophobicContact CB-CD2 4.12Å; R380-Y466 HydrophobicContact CB-CG 4.24Å; R380-Y466 HydrophobicContact CG-CD1 4.41Å; R380-Y466 HydrophobicContact CG-CD2 4.02Å; R380-Y466 HydrophobicContact CG-CE2 4.21Å; R380-Y466 HydrophobicContact CG-CG 4.13Å; Y466-G468 PolarHBondContact O-N 3.48Å; Y466-T469 WeakPolarHBondContact CD1-OG1 3.32Å; Y466-T469 PolarHBondContact O-N 2.9Å
467	L	92.1	Very high	80.8	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-24.6	-171.2	-171.4	59.4	0	0	0	113.3	V302 I327 T330 P465 T469 F470 L471 I505	V302-L467 HydrophobicContact CG2-CD2 4.3Å; I327-L467 HydrophobicContact CD1-CD2 4.09Å; I327-L467 HydrophobicContact CG2-CD2 4.19Å; T330-L467 HydrophobicContact CG2-CD2 4.25Å; P465-L467 PolarHBondContact O-N 2.89Å; P465-L467 VanDerWaalsContact O-N 3.16Å; L467-T469 VanDerWaalsContact C-N 3.28Å; L467-T469 PolarHBondContact O-N 2.8Å; L467-F470 HydrophobicContact CD1-CB 4.48Å; L467-F470 PolarHBondContact O-N 3.02Å; L467-F470 VanDerWaalsContact O-N 3.15Å; L467-L471 HydrophobicContact CD2-CD1 4.45Å; L467-L471 HydrophobicContact CG-CD1 4.04Å; L467-L471 HydrophobicContact CG-CG 4.19Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 2.99Å; L467-L471 VanDerWaalsContact O-N 3.12Å; L467-I505 HydrophobicContact CD1-CD1 4.17Å
468	G	90.7	Very high	83	Confident	16 Å²	16	35.6 Å²	35.6	17%	0.165	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-36.8	-179.9	0	0	0	0	0	114	Y466 F470 L471 T472	Y466-G468 PolarHBondContact O-N 3.48Å; G468-F470 PolarHBondContact O-N 3.49Å; G468-L471 PolarHBondContact O-N 2.92Å; G468-T472 PolarHBondContact O-N 3.41Å; G468-T472 PolarHBondContact O-OG1 3.33Å; G468-T472 VanDerWaalsContact O-OG1 3.13Å
469	T	89.7	Confident	85.4	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-46.5	177	-57.9	0	0	0	0	111.8	R426 Y466 L467 L471 T472 D473	R426-T469 HydrophobicContact CG-CG2 4.45Å; R426-T469 VanDerWaalsContact CZ-CG2 3.42Å; Y466-T469 WeakPolarHBondContact CD1-OG1 3.32Å; Y466-T469 PolarHBondContact O-N 2.9Å; L467-T469 VanDerWaalsContact C-N 3.28Å; L467-T469 PolarHBondContact O-N 2.8Å; T469-L471 PolarHBondContact O-N 3.07Å; T469-T472 PolarHBondContact O-N 3.49Å; T469-D473 VanDerWaalsContact O-CG 3.27Å; T469-D473 PolarHBondContact O-N 3.28Å
470	F	91.4	Very high	87.5	Confident	11 Å²	11	39.4 Å²	39.4	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-35.3	179	-63.1	-98.9	0	0	0	112.2	L429 P465 L467 G468 D473 L474 V501 Q504 I505 L508	L429-F470 HydrophobicContact CD1-CE2 4.02Å; L429-F470 HydrophobicContact CD1-CZ 4.26Å; P465-F470 HydrophobicContact CB-CD2 4.31Å; P465-F470 HydrophobicContact CB-CE2 3.59Å; P465-F470 HydrophobicContact CB-CZ 4.31Å; P465-F470 HydrophobicContact CG-CE2 4.36Å; L467-F470 HydrophobicContact CD1-CB 4.48Å; L467-F470 PolarHBondContact O-N 3.02Å; L467-F470 VanDerWaalsContact O-N 3.15Å; G468-F470 PolarHBondContact O-N 3.49Å; F470-D473 PolarHBondContact O-N 3.26Å; F470-L474 WeakPolarHBondContact O-CB 3.25Å; F470-L474 WeakPolarHBondContact O-CG 3.33Å; F470-L474 PolarHBondContact O-N 2.93Å; F470-V501 HydrophobicContact CB-CG1 4.28Å; F470-V501 HydrophobicContact CD1-CG1 3.78Å; F470-Q504 HydrophobicContact CE1-CB 4.09Å; F470-I505 HydrophobicContact CB-CD1 3.99Å; F470-I505 HydrophobicContact CB-CG1 4.35Å; F470-I505 HydrophobicContact CD1-CD1 4.22Å; F470-I505 HydrophobicContact CD1-CG1 3.7Å; F470-I505 HydrophobicContact CE1-CG1 4.24Å; F470-I505 HydrophobicContact CG-CD1 4.28Å; F470-I505 HydrophobicContact CG-CG1 4.07Å; F470-L508 HydrophobicContact CZ-CD1 3.96Å
471	L	93.3	Very high	89.3	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-39.1	175.9	-65.5	169.6	0	0	0	111.6	C307 W312 I327 L467 G468 T469 L474 V475	C307-L471 HydrophobicContact CB-CD2 3.89Å; W312-L471 HydrophobicContact CD2-CD2 4.29Å; W312-L471 HydrophobicContact CG-CD2 4.02Å; W312-L471 HydrophobicContact CZ2-CD1 4.17Å; I327-L471 HydrophobicContact CG2-CD1 3.69Å; I327-L471 HydrophobicContact CG2-CD2 4.18Å; L467-L471 HydrophobicContact CD2-CD1 4.45Å; L467-L471 HydrophobicContact CG-CD1 4.04Å; L467-L471 HydrophobicContact CG-CG 4.19Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 2.99Å; L467-L471 VanDerWaalsContact O-N 3.12Å; G468-L471 PolarHBondContact O-N 2.92Å; T469-L471 PolarHBondContact O-N 3.07Å; L471-L474 PolarHBondContact O-N 2.96Å; L471-V475 WeakPolarHBondContact O-CB 3.46Å; L471-V475 VanDerWaalsContact O-CG2 3.31Å; L471-V475 WeakPolarHBondContact O-CG2 3.32Å; L471-V475 PolarHBondContact O-N 3.25Å
472	T	91.3	Very high	90.7	Very high	67 Å²	67	38.2 Å²	38.2	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-46.9	172.7	-63.2	0	0	0	0	111.1	G468 T469 L474 V475 M476	G468-T472 PolarHBondContact O-N 3.41Å; G468-T472 PolarHBondContact O-OG1 3.33Å; G468-T472 VanDerWaalsContact O-OG1 3.13Å; T469-T472 PolarHBondContact O-N 3.49Å; T472-L474 VanDerWaalsContact C-N 3.35Å; T472-L474 PolarHBondContact O-N 2.86Å; T472-V475 PolarHBondContact O-N 3.02Å; T472-M476 HydrophobicContact CG2-CG 4.37Å; T472-M476 HydrophobicContact CG2-SD 3.98Å; T472-M476 WeakPolarHBondContact O-CB 3.34Å; T472-M476 WeakPolarHBondContact O-CG 3.32Å; T472-M476 PolarHBondContact O-N 3.32Å
473	D	90.4	Very high	91.4	Very high	30 Å²	30	40.8 Å²	40.8	16%	0.16	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-46.2	177.4	-63.8	-30.3	0	0	0	111.8	R426 T469 F470 M476 M477	R426-D473 IonicContact CZ-OD1 3.45Å; R426-D473 IonicContact CZ-OD2 2.71Å; R426-D473 IonicContact NH1-OD1 3.84Å; R426-D473 PolarHBondContact NH1-OD1 3.42Å; R426-D473 IonicContact NH1-OD2 2.73Å; R426-D473 PolarHBondContact NH1-OD2 2.83Å; R426-D473 IonicContact NH2-OD1 3.99Å; R426-D473 PolarHBondContact NH2-OD1 3.35Å; R426-D473 IonicContact NH2-OD2 2.63Å; R426-D473 PolarHBondContact NH2-OD2 3.13Å; T469-D473 VanDerWaalsContact O-CG 3.27Å; T469-D473 PolarHBondContact O-N 3.28Å; F470-D473 PolarHBondContact O-N 3.26Å; D473-M476 PolarHBondContact O-N 3.39Å; D473-M477 VanDerWaalsContact O-CB 3.27Å; D473-M477 WeakPolarHBondContact O-CB 3.47Å; D473-M477 PolarHBondContact O-N 3.11Å
474	L	92.6	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-36.1	-179.5	-76	165.8	0	0	0	112.6	C307 G309 F470 L471 T472 D478 E498 V501 I502	C307-L474 HydrophobicContact CB-CD1 3.76Å; C307-L474 VanDerWaalsContact O-CD1 3.27Å; C307-L474 WeakPolarHBondContact O-CD1 3.33Å; G309-L474 WeakPolarHBondContact CA-O 3.3Å; F470-L474 WeakPolarHBondContact O-CB 3.25Å; F470-L474 WeakPolarHBondContact O-CG 3.33Å; F470-L474 PolarHBondContact O-N 2.93Å; L471-L474 PolarHBondContact O-N 2.96Å; T472-L474 VanDerWaalsContact C-N 3.35Å; T472-L474 PolarHBondContact O-N 2.86Å; L474-D478 VanDerWaalsContact O-CB 3.25Å; L474-D478 WeakPolarHBondContact O-CB 3.27Å; L474-D478 PolarHBondContact O-N 2.91Å; L474-E498 HydrophobicContact CD2-CB 4.21Å; L474-E498 HydrophobicContact CD2-CG 4.28Å; L474-V501 HydrophobicContact CD1-CG1 4.06Å; L474-V501 HydrophobicContact CD2-CB 4.04Å; L474-V501 HydrophobicContact CD2-CG1 4.33Å; L474-V501 HydrophobicContact CD2-CG2 4.45Å; L474-V501 HydrophobicContact CG-CB 4.22Å; L474-V501 HydrophobicContact CG-CG1 3.95Å; L474-I502 HydrophobicContact CD1-CD1 3.76Å
475	V	92.3	Very high	91.6	Very high	40 Å²	40	48 Å²	48	24%	0.242	26%	0.259	C	S	.	.	H	α-helix	trans	-70.4	-41.7	173.2	170.3	0	0	0	0	111.5	L471 T472 M477 D478 T479	L471-V475 WeakPolarHBondContact O-CB 3.46Å; L471-V475 VanDerWaalsContact O-CG2 3.31Å; L471-V475 WeakPolarHBondContact O-CG2 3.32Å; L471-V475 PolarHBondContact O-N 3.25Å; T472-V475 PolarHBondContact O-N 3.02Å; V475-M477 PolarHBondContact O-N 3.28Å; V475-D478 WeakPolarHBondContact O-CB 3.15Å; V475-D478 PolarHBondContact O-N 2.71Å; V475-T479 PolarHBondContact O-N 2.88Å; V475-T479 PolarHBondContact O-OG1 2.77Å
476	M	90.9	Very high	91.3	Very high	113 Å²	113	56.8 Å²	56.8	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-61.9	-44.6	174.8	-74.4	-178	66.6	0	0	111.2	T472 D473 D478 T479 A480	T472-M476 HydrophobicContact CG2-CG 4.37Å; T472-M476 HydrophobicContact CG2-SD 3.98Å; T472-M476 WeakPolarHBondContact O-CB 3.34Å; T472-M476 WeakPolarHBondContact O-CG 3.32Å; T472-M476 PolarHBondContact O-N 3.32Å; D473-M476 PolarHBondContact O-N 3.39Å; M476-D478 VanDerWaalsContact C-N 3.33Å; M476-D478 PolarHBondContact O-N 2.98Å; M476-T479 PolarHBondContact O-N 3.28Å; M476-T479 PolarHBondContact O-OG1 2.83Å; M476-A480 VanDerWaalsContact O-CB 3.32Å; M476-A480 WeakPolarHBondContact O-CB 3.18Å; M476-A480 PolarHBondContact O-N 3.47Å
477	M	91.1	Very high	90.8	Very high	36 Å²	36	57.4 Å²	57.4	18%	0.177	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-39.5	175.5	-169	-174.3	-57.1	0	0	112.4	D473 V475 T479 A480 M481 K497 E498 V501	D473-M477 VanDerWaalsContact O-CB 3.27Å; D473-M477 WeakPolarHBondContact O-CB 3.47Å; D473-M477 PolarHBondContact O-N 3.11Å; V475-M477 PolarHBondContact O-N 3.28Å; M477-T479 PolarHBondContact O-N 3.14Å; M477-A480 PolarHBondContact O-N 2.73Å; M477-M481 HydrophobicContact CG-SD 4.34Å; M477-M481 PolarHBondContact O-N 3.38Å; M477-K497 HydrophobicContact CE-CB 4.07Å; M477-K497 HydrophobicContact SD-CB 3.53Å; M477-K497 VanDerWaalsContact SD-CB 3.53Å; M477-E498 HydrophobicContact SD-CB 4.37Å; M477-E498 HydrophobicContact SD-CG 3.84Å; M477-E498 PolarHBondContact SD-N 3.27Å; M477-V501 HydrophobicContact CE-CG2 3.82Å
478	D	91.2	Very high	90.7	Very high	25 Å²	25	59.5 Å²	59.5	13%	0.134	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-41.9	174.9	-175.8	57.3	0	0	0	112.3	G310 L474 V475 M476 M481 K494	G310-D478 WeakPolarHBondContact CA-OD1 3.45Å; G310-D478 VanDerWaalsContact CA-OD2 3.25Å; G310-D478 WeakPolarHBondContact CA-OD2 3.49Å; G310-D478 PolarHBondContact N-OD1 3.2Å; G310-D478 PolarHBondContact N-OD2 3.27Å; G310-D478 VanDerWaalsContact N-OD2 3.14Å; L474-D478 VanDerWaalsContact O-CB 3.25Å; L474-D478 WeakPolarHBondContact O-CB 3.27Å; L474-D478 PolarHBondContact O-N 2.91Å; V475-D478 WeakPolarHBondContact O-CB 3.15Å; V475-D478 PolarHBondContact O-N 2.71Å; M476-D478 VanDerWaalsContact C-N 3.33Å; M476-D478 PolarHBondContact O-N 2.98Å; D478-M481 VanDerWaalsContact O-O 3.09Å; D478-K494 PolarHBondContact O-NZ 3.45Å; D478-K494 WeakPolarHBondContact OD1-CE 3.42Å; D478-K494 IonicContact OD1-NZ 2.73Å; D478-K494 PolarHBondContact OD1-NZ 3.38Å
479	T	91.4	Very high	90.9	Very high	112 Å²	112	59.7 Å²	59.7	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-73.9	-30.1	174.9	60.1	0	0	0	0	114	V475 M476 M477	V475-T479 PolarHBondContact O-N 2.88Å; V475-T479 PolarHBondContact O-OG1 2.77Å; M476-T479 PolarHBondContact O-N 3.28Å; M476-T479 PolarHBondContact O-OG1 2.83Å; M477-T479 PolarHBondContact O-N 3.14Å
480	A	92.6	Very high	91.1	Very high	84 Å²	84	59.9 Å²	59.9	69%	0.694	34%	0.344	S	S	*	.	H	α-helix	trans	-81.6	-23.2	-177.7	0	0	0	0	0	113.5	M476 M477	M476-A480 VanDerWaalsContact O-CB 3.32Å; M476-A480 WeakPolarHBondContact O-CB 3.18Å; M476-A480 PolarHBondContact O-N 3.47Å; M477-A480 PolarHBondContact O-N 2.73Å
481	M	91.4	Very high	91.2	Very high	38 Å²	38	60.4 Å²	60.4	19%	0.187	35%	0.348	C	S	.	.	S	Bend	trans	-123.9	120.7	-177.2	-62.5	-174.3	73.6	0	0	111.2	M477 D478 E493 K494 K497	M477-M481 HydrophobicContact CG-SD 4.34Å; M477-M481 PolarHBondContact O-N 3.38Å; D478-M481 VanDerWaalsContact O-O 3.09Å; M481-E493 HydrophobicContact CE-CG 4.16Å; M481-K494 HydrophobicContact CB-CB 4.12Å; M481-K494 HydrophobicContact CB-CD 3.94Å; M481-K494 HydrophobicContact CB-CG 3.9Å; M481-K494 HydrophobicContact CE-CB 4.05Å; M481-K494 VanDerWaalsContact O-CD 3.29Å; M481-K494 WeakPolarHBondContact O-CD 3.35Å; M481-K494 VanDerWaalsContact O-CE 3.28Å; M481-K494 WeakPolarHBondContact O-CE 3.47Å; M481-K494 PolarHBondContact O-NZ 2.97Å; M481-K494 HydrophobicContact SD-CB 4.39Å; M481-K497 HydrophobicContact CE-CD 4.35Å; M481-K497 HydrophobicContact SD-CD 3.94Å
482	K	91.6	Very high	91.2	Very high	146 Å²	146	60 Å²	60	64%	0.635	35%	0.346	S	S	*	.			trans	-61.7	141.9	172.9	-62.4	-179.6	-176.9	173.8	0	110.8	Y484 N491	K482-Y484 WeakPolarHBondContact CB-O 3.44Å; K482-Y484 PolarHBondContact O-N 3.38Å; K482-N491 WeakPolarHBondContact O-CB 3.42Å; K482-N491 PolarHBondContact O-ND2 3.37Å
483	D	90.6	Very high	91.2	Very high	55 Å²	55	59.2 Å²	59.2	29%	0.294	34%	0.337	S	S	.	.	S	Bend	trans	-66.8	-24.3	175.7	-62.7	-60.6	0	0	0	113.8	N491 K494 R495	D483-N491 WeakPolarHBondContact O-CB 3.44Å; D483-N491 PolarHBondContact O-N 3.35Å; D483-K494 WeakPolarHBondContact OD1-CE 3.47Å; D483-K494 IonicContact OD1-NZ 2.77Å; D483-K494 PolarHBondContact OD1-NZ 3Å; D483-K494 IonicContact OD2-NZ 2.71Å; D483-R495 IonicContact OD1-CZ 2.86Å; D483-R495 IonicContact OD1-NH1 3.21Å; D483-R495 PolarHBondContact OD1-NH1 3.22Å; D483-R495 IonicContact OD1-NH2 2.7Å; D483-R495 PolarHBondContact OD1-NH2 3.17Å
484	Y	93	Very high	91.2	Very high	112 Å²	112	57.8 Å²	57.8	44%	0.439	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-128.2	149.7	-179.5	-57.1	-87.2	0	0	0	110.5	K482 G488 L489 I490	K482-Y484 WeakPolarHBondContact CB-O 3.44Å; K482-Y484 PolarHBondContact O-N 3.38Å; Y484-G488 WeakPolarHBondContact CD1-O 3.46Å; Y484-L489 CarbonylContact C-O 3.49Å; Y484-L489 VanDerWaalsContact CA-O 3.23Å; Y484-L489 WeakPolarHBondContact CA-O 3.32Å; Y484-I490 HydrophobicContact CD1-CG1 4.09Å; Y484-I490 HydrophobicContact CE1-CG1 3.69Å
485	T	90.5	Very high	91.2	Very high	42 Å²	42	57.9 Å²	57.9	26%	0.258	33%	0.33	S	S	.	.			trans	-75.7	174	169.1	69.9	0	0	0	0	110.8	A120 G487 G488 L489	A120-T485 HydrophobicContact CB-CG2 3.58Å; T485-G487 PolarHBondContact O-N 2.87Å; T485-G488 PolarHBondContact O-N 3.26Å; T485-L489 PolarHBondContact N-O 3.19Å; T485-L489 PolarHBondContact OG1-N 3.09Å
486	E	85.8	Confident	91.2	Very high	188 Å²	188	58.4 Å²	58.4	88%	0.879	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.9	179.2	-56.6	-172.6	156.9	0	0	112.9	G488	E486-G488 VanDerWaalsContact C-N 3.29Å; E486-G488 PolarHBondContact O-N 3.22Å
487	G	83.9	Confident	91.2	Very high	66 Å²	66	56.9 Å²	56.9	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	11.2	170.1	0	0	0	0	0	114.8	T485 L489	T485-G487 PolarHBondContact O-N 2.87Å; G487-L489 PolarHBondContact O-N 3.06Å
488	G	90	Very high	91.3	Very high	52 Å²	52	55.2 Å²	55.2	54%	0.536	31%	0.309	S	S	.	.	S	Bend	trans	74.1	4.3	179.5	0	0	0	0	0	115.5	Y484 T485 E486	Y484-G488 WeakPolarHBondContact CD1-O 3.46Å; T485-G488 PolarHBondContact O-N 3.26Å; E486-G488 VanDerWaalsContact C-N 3.29Å; E486-G488 PolarHBondContact O-N 3.22Å
489	L	93	Very high	91.3	Very high	20 Å²	20	55.3 Å²	55.3	11%	0.105	31%	0.309	C	S	.	.			trans	-75.3	142	177.9	-55.8	179.6	0	0	0	110.6	I78 A120 T122 Y484 T485 G487 N491	I78-L489 HydrophobicContact CD1-CD1 4.16Å; I78-L489 HydrophobicContact CG1-CD1 3.97Å; A120-L489 HydrophobicContact CB-CB 4.03Å; T122-L489 HydrophobicContact CG2-CD2 3.82Å; Y484-L489 CarbonylContact C-O 3.49Å; Y484-L489 VanDerWaalsContact CA-O 3.23Å; Y484-L489 WeakPolarHBondContact CA-O 3.32Å; T485-L489 PolarHBondContact N-O 3.19Å; T485-L489 PolarHBondContact OG1-N 3.09Å; G487-L489 PolarHBondContact O-N 3.06Å; L489-N491 PolarHBondContact O-N 3.42Å
490	I	94.5	Very high	91.2	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.062	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	124.6	179	-61.7	154.1	0	0	0	109	A120 G121 L123 L126 F152 Y484 F492	A120-I490 WeakPolarHBondContact CA-O 3.37Å; A120-I490 VanDerWaalsContact CB-O 3.3Å; A120-I490 WeakPolarHBondContact CB-O 3.32Å; G121-I490 PolarHBondContact N-O 3.35Å; G121-I490 VanDerWaalsContact N-O 3.14Å; G121-I490 WeakPolarHBondContact O-CB 2.95Å; G121-I490 PolarHBondContact O-N 2.92Å; L123-I490 HydrophobicContact CB-CD1 4.09Å; L126-I490 HydrophobicContact CD1-CB 3.9Å; L126-I490 HydrophobicContact CD1-CD1 3.9Å; L126-I490 HydrophobicContact CD1-CG2 3.91Å; F152-I490 HydrophobicContact CB-CG2 4.25Å; F152-I490 HydrophobicContact CD1-CG2 3.88Å; F152-I490 HydrophobicContact CD2-CD1 3.67Å; F152-I490 HydrophobicContact CD2-CG1 4.32Å; F152-I490 HydrophobicContact CD2-CG2 3.98Å; F152-I490 HydrophobicContact CE1-CG2 4.14Å; F152-I490 HydrophobicContact CE2-CD1 4.12Å; F152-I490 HydrophobicContact CE2-CG2 4.23Å; F152-I490 HydrophobicContact CG-CD1 4.34Å; F152-I490 HydrophobicContact CG-CG2 3.78Å; F152-I490 HydrophobicContact CZ-CG2 4.29Å; Y484-I490 HydrophobicContact CD1-CG1 4.09Å; Y484-I490 HydrophobicContact CE1-CG1 3.69Å; I490-F492 PolarHBondContact O-N 3.35Å; I490-F492 VanDerWaalsContact O-N 3.1Å
491	N	93.6	Very high	91.1	Very high	23 Å²	23	52 Å²	52	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	95.4	-179.2	-179.5	1.1	0	0	0	110.8	K482 D483 L489 E493 K494	K482-N491 WeakPolarHBondContact O-CB 3.42Å; K482-N491 PolarHBondContact O-ND2 3.37Å; D483-N491 WeakPolarHBondContact O-CB 3.44Å; D483-N491 PolarHBondContact O-N 3.35Å; L489-N491 PolarHBondContact O-N 3.42Å; N491-E493 VanDerWaalsContact C-N 3.33Å; N491-E493 WeakPolarHBondContact OD1-CB 3.43Å; N491-E493 PolarHBondContact OD1-N 2.57Å; N491-K494 HydrophobicContact CB-CB 4.39Å; N491-K494 PolarHBondContact O-N 3.16Å; N491-K494 PolarHBondContact OD1-N 2.92Å; N491-K494 VanDerWaalsContact OD1-N 3.16Å
492	F	93.3	Very high	91.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-76.5	-21.2	-179.7	-157.8	-93.2	0	0	0	113	I118 K119 L126 Y141 I144 F145 I490 K494 R495 R496	I118-F492 HydrophobicContact CG2-CD1 4.48Å; K119-F492 WeakPolarHBondContact O-CA 3.49Å; K119-F492 WeakPolarHBondContact O-CB 3.37Å; K119-F492 PolarHBondContact O-N 3.07Å; L126-F492 HydrophobicContact CD1-CD2 4.24Å; L126-F492 HydrophobicContact CD2-CB 4.12Å; L126-F492 HydrophobicContact CD2-CD2 3.76Å; L126-F492 HydrophobicContact CD2-CG 4.11Å; Y141-F492 HydrophobicContact CD2-CD1 4.32Å; Y141-F492 AromaticContact CD2-CE1 3.56Å; Y141-F492 HydrophobicContact CD2-CE1 3.56Å; Y141-F492 AromaticContact CD2-CZ 3.8Å; Y141-F492 HydrophobicContact CD2-CZ 3.8Å; Y141-F492 HydrophobicContact CE1-CZ 4.47Å; Y141-F492 AromaticContact CE2-CD1 3.68Å; Y141-F492 HydrophobicContact CE2-CD1 3.68Å; Y141-F492 HydrophobicContact CE2-CD2 4.25Å; Y141-F492 AromaticContact CE2-CE1 3.18Å; Y141-F492 HydrophobicContact CE2-CE1 3.18Å; Y141-F492 AromaticContact CE2-CE2 3.82Å; Y141-F492 HydrophobicContact CE2-CE2 3.82Å; Y141-F492 HydrophobicContact CE2-CG 4.18Å; Y141-F492 AromaticContact CE2-CZ 3.24Å; Y141-F492 HydrophobicContact CE2-CZ 3.24Å; Y141-F492 AromaticContact CZ-CE2 3.85Å; Y141-F492 AromaticContact CZ-CZ 3.63Å; I144-F492 HydrophobicContact CB-CE1 4.27Å; I144-F492 HydrophobicContact CB-CZ 3.99Å; I144-F492 HydrophobicContact CG2-CE1 3.65Å; I144-F492 HydrophobicContact CG2-CE2 4.34Å; I144-F492 HydrophobicContact CG2-CZ 3.43Å; I144-F492 VanDerWaalsContact CG2-CZ 3.43Å; F145-F492 HydrophobicContact CB-CE2 4.26Å; F145-F492 HydrophobicContact CB-CZ 4.26Å; F145-F492 AromaticContact CD2-CE2 4Å; F145-F492 HydrophobicContact CD2-CE2 4Å; I490-F492 PolarHBondContact O-N 3.35Å; I490-F492 VanDerWaalsContact O-N 3.1Å; F492-K494 VanDerWaalsContact C-N 3.32Å; F492-K494 PolarHBondContact O-N 3.32Å; F492-R495 HydrophobicContact CD2-CB 4.23Å; F492-R495 HydrophobicContact CD2-CG 4.29Å; F492-R495 HydrophobicContact CE2-CB 4.33Å; F492-R495 HydrophobicContact CG-CB 4.48Å; F492-R495 WeakPolarHBondContact O-CB 3.34Å; F492-R495 PolarHBondContact O-N 3.45Å; F492-R495 VanDerWaalsContact O-N 3.09Å; F492-R496 PolarHBondContact O-N 3.13Å
493	E	90.7	Very high	90.9	Very high	49 Å²	49	45 Å²	45	23%	0.229	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-33.8	172.9	-179.3	56.7	-162.3	0	0	112.3	K119 M481 N491 R495 R496 K497	K119-E493 HydrophobicContact CG-CB 4.24Å; K119-E493 PolarHBondContact O-N 3.2Å; K119-E493 VanDerWaalsContact O-N 3.12Å; M481-E493 HydrophobicContact CE-CG 4.16Å; N491-E493 VanDerWaalsContact C-N 3.33Å; N491-E493 WeakPolarHBondContact OD1-CB 3.43Å; N491-E493 PolarHBondContact OD1-N 2.57Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-R496 PolarHBondContact O-N 3.21Å; E493-R496 IonicContact OE2-CZ 2.72Å; E493-R496 IonicContact OE2-NH1 3.16Å; E493-R496 PolarHBondContact OE2-NH1 3.29Å; E493-K497 PolarHBondContact O-N 3.05Å; E493-K497 WeakPolarHBondContact OE1-CE 3.49Å; E493-K497 IonicContact OE1-NZ 2.69Å; E493-K497 PolarHBondContact OE1-NZ 2.83Å
494	K	92.3	Very high	90.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-47.8	166.6	-178.9	176.3	-176.5	173	0	110.8	D478 M481 D483 N491 F492 R496 K497 E498	D478-K494 PolarHBondContact O-NZ 3.45Å; D478-K494 WeakPolarHBondContact OD1-CE 3.42Å; D478-K494 IonicContact OD1-NZ 2.73Å; D478-K494 PolarHBondContact OD1-NZ 3.38Å; M481-K494 HydrophobicContact CB-CB 4.12Å; M481-K494 HydrophobicContact CB-CD 3.94Å; M481-K494 HydrophobicContact CB-CG 3.9Å; M481-K494 HydrophobicContact CE-CB 4.05Å; M481-K494 VanDerWaalsContact O-CD 3.29Å; M481-K494 WeakPolarHBondContact O-CD 3.35Å; M481-K494 VanDerWaalsContact O-CE 3.28Å; M481-K494 WeakPolarHBondContact O-CE 3.47Å; M481-K494 PolarHBondContact O-NZ 2.97Å; M481-K494 HydrophobicContact SD-CB 4.39Å; D483-K494 WeakPolarHBondContact OD1-CE 3.47Å; D483-K494 IonicContact OD1-NZ 2.77Å; D483-K494 PolarHBondContact OD1-NZ 3Å; D483-K494 IonicContact OD2-NZ 2.71Å; N491-K494 HydrophobicContact CB-CB 4.39Å; N491-K494 PolarHBondContact O-N 3.16Å; N491-K494 PolarHBondContact OD1-N 2.92Å; N491-K494 VanDerWaalsContact OD1-N 3.16Å; F492-K494 VanDerWaalsContact C-N 3.32Å; F492-K494 PolarHBondContact O-N 3.32Å; K494-R496 VanDerWaalsContact C-N 3.32Å; K494-R496 PolarHBondContact O-N 2.83Å; K494-K497 PolarHBondContact O-N 2.77Å; K494-E498 VanDerWaalsContact CE-OE1 3.23Å; K494-E498 WeakPolarHBondContact CE-OE1 3.11Å; K494-E498 HydrophobicContact CG-CG 4.29Å; K494-E498 WeakPolarHBondContact O-CG 3.28Å; K494-E498 PolarHBondContact O-N 3.31Å
495	R	92.3	Very high	90.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-33.9	-176.7	-50	-48.6	172.8	-158.6	-2.9	112.9	I144 T148 S151 F152 D483 F492 E493 E498 F499	I144-R495 HydrophobicContact CG2-CB 4.32Å; T148-R495 HydrophobicContact CG2-CB 4.2Å; S151-R495 VanDerWaalsContact OG-CZ 3.31Å; S151-R495 PolarHBondContact OG-NE 3.15Å; S151-R495 PolarHBondContact OG-NH1 2.85Å; F152-R495 HydrophobicContact CD1-CG 4.44Å; F152-R495 HydrophobicContact CE1-CG 3.89Å; D483-R495 IonicContact OD1-CZ 2.86Å; D483-R495 IonicContact OD1-NH1 3.21Å; D483-R495 PolarHBondContact OD1-NH1 3.22Å; D483-R495 IonicContact OD1-NH2 2.7Å; D483-R495 PolarHBondContact OD1-NH2 3.17Å; F492-R495 HydrophobicContact CD2-CB 4.23Å; F492-R495 HydrophobicContact CD2-CG 4.29Å; F492-R495 HydrophobicContact CE2-CB 4.33Å; F492-R495 HydrophobicContact CG-CB 4.48Å; F492-R495 WeakPolarHBondContact O-CB 3.34Å; F492-R495 PolarHBondContact O-N 3.45Å; F492-R495 VanDerWaalsContact O-N 3.09Å; E493-R495 VanDerWaalsContact C-N 3.34Å; R495-E498 WeakPolarHBondContact CD-OE2 3.45Å; R495-E498 IonicContact CZ-OE2 2.83Å; R495-E498 IonicContact NE-OE2 3.19Å; R495-E498 VanDerWaalsContact NH1-CD 3.33Å; R495-E498 IonicContact NH1-OE1 2.84Å; R495-E498 PolarHBondContact NH1-OE1 3.03Å; R495-E498 IonicContact NH1-OE2 3.73Å; R495-E498 PolarHBondContact NH1-OE2 2.83Å; R495-F499 VanDerWaalsContact O-CB 3.25Å; R495-F499 WeakPolarHBondContact O-CB 3.24Å; R495-F499 PolarHBondContact O-N 3.4Å
496	R	91.5	Very high	90.6	Very high	52 Å²	52	41.9 Å²	41.9	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-49.5	173.2	-174.1	172.5	-70.2	116.4	1.4	111.2	I118 I144 F492 E493 K494 F499 E500	I118-R496 PolarHBondContact O-NH1 3.09Å; I118-R496 PolarHBondContact O-NH2 2.83Å; I144-R496 HydrophobicContact CD1-CG 4.43Å; F492-R496 PolarHBondContact O-N 3.13Å; E493-R496 PolarHBondContact O-N 3.21Å; E493-R496 IonicContact OE2-CZ 2.72Å; E493-R496 IonicContact OE2-NH1 3.16Å; E493-R496 PolarHBondContact OE2-NH1 3.29Å; K494-R496 VanDerWaalsContact C-N 3.32Å; K494-R496 PolarHBondContact O-N 2.83Å; R496-F499 WeakPolarHBondContact O-CB 3.21Å; R496-F499 PolarHBondContact O-N 3.37Å; R496-E500 PolarHBondContact O-N 3.22Å; R496-E500 VanDerWaalsContact O-N 3.12Å
497	K	91.2	Very high	90.7	Very high	80 Å²	80	36.9 Å²	36.9	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-70.8	-38.9	178.7	-66.6	179.6	179.5	163.7	0	113.2	M477 M481 E493 K494 F499 E500	M477-K497 HydrophobicContact CE-CB 4.07Å; M477-K497 HydrophobicContact SD-CB 3.53Å; M477-K497 VanDerWaalsContact SD-CB 3.53Å; M481-K497 HydrophobicContact CE-CD 4.35Å; M481-K497 HydrophobicContact SD-CD 3.94Å; E493-K497 PolarHBondContact O-N 3.05Å; E493-K497 WeakPolarHBondContact OE1-CE 3.49Å; E493-K497 IonicContact OE1-NZ 2.69Å; E493-K497 PolarHBondContact OE1-NZ 2.83Å; K494-K497 PolarHBondContact O-N 2.77Å; K497-F499 VanDerWaalsContact C-N 3.26Å; K497-F499 PolarHBondContact O-N 3.03Å; K497-E500 PolarHBondContact O-N 3.45Å
498	E	92	Very high	90.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-45	171	-74.6	174.6	153.7	0	0	110	L308 L474 M477 K494 R495 E500 V501 I502	L308-E498 HydrophobicContact CD2-CB 3.85Å; L308-E498 HydrophobicContact CD2-CG 4.26Å; L474-E498 HydrophobicContact CD2-CB 4.21Å; L474-E498 HydrophobicContact CD2-CG 4.28Å; M477-E498 HydrophobicContact SD-CB 4.37Å; M477-E498 HydrophobicContact SD-CG 3.84Å; M477-E498 PolarHBondContact SD-N 3.27Å; K494-E498 VanDerWaalsContact CE-OE1 3.23Å; K494-E498 WeakPolarHBondContact CE-OE1 3.11Å; K494-E498 HydrophobicContact CG-CG 4.29Å; K494-E498 WeakPolarHBondContact O-CG 3.28Å; K494-E498 PolarHBondContact O-N 3.31Å; R495-E498 WeakPolarHBondContact CD-OE2 3.45Å; R495-E498 IonicContact CZ-OE2 2.83Å; R495-E498 IonicContact NE-OE2 3.19Å; R495-E498 VanDerWaalsContact NH1-CD 3.33Å; R495-E498 IonicContact NH1-OE1 2.84Å; R495-E498 PolarHBondContact NH1-OE1 3.03Å; R495-E498 IonicContact NH1-OE2 3.73Å; R495-E498 PolarHBondContact NH1-OE2 2.83Å; E498-E500 PolarHBondContact O-N 3.32Å; E498-V501 PolarHBondContact O-N 3.24Å; E498-I502 WeakPolarHBondContact O-CG1 3.43Å; E498-I502 PolarHBondContact O-N 3.43Å; E498-I502 VanDerWaalsContact O-N 3.14Å
499	F	91.2	Very high	90.9	Very high	27 Å²	27	32.8 Å²	32.8	12%	0.118	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-33.3	178.9	179.5	-97	0	0	0	113.9	T143 I144 C147 T148 R495 R496 K497 V501 I502 A503	T143-F499 HydrophobicContact CG2-CE2 3.84Å; T143-F499 HydrophobicContact CG2-CZ 3.59Å; I144-F499 HydrophobicContact CB-CB 4.33Å; I144-F499 HydrophobicContact CB-CD1 4.44Å; I144-F499 HydrophobicContact CB-CG 4.17Å; I144-F499 HydrophobicContact CD1-CD1 4.43Å; I144-F499 HydrophobicContact CG1-CB 3.97Å; I144-F499 HydrophobicContact CG1-CD1 3.43Å; I144-F499 VanDerWaalsContact CG1-CD1 3.43Å; I144-F499 HydrophobicContact CG1-CD2 4.31Å; I144-F499 HydrophobicContact CG1-CE1 3.96Å; I144-F499 HydrophobicContact CG1-CG 3.62Å; I144-F499 HydrophobicContact CG2-CB 3.98Å; I144-F499 HydrophobicContact CG2-CG 4.37Å; C147-F499 HydrophobicContact CB-CD2 3.71Å; C147-F499 HydrophobicContact CB-CE2 3.9Å; T148-F499 HydrophobicContact CG2-CB 4.37Å; R495-F499 VanDerWaalsContact O-CB 3.25Å; R495-F499 WeakPolarHBondContact O-CB 3.24Å; R495-F499 PolarHBondContact O-N 3.4Å; R496-F499 WeakPolarHBondContact O-CB 3.21Å; R496-F499 PolarHBondContact O-N 3.37Å; K497-F499 VanDerWaalsContact C-N 3.26Å; K497-F499 PolarHBondContact O-N 3.03Å; F499-V501 VanDerWaalsContact C-N 3.32Å; F499-V501 PolarHBondContact O-N 3.25Å; F499-I502 CarbonylContact O-C 3.48Å; F499-I502 PolarHBondContact O-N 3.34Å; F499-A503 HydrophobicContact CD1-CB 4.44Å; F499-A503 HydrophobicContact CE1-CB 4.04Å; F499-A503 HydrophobicContact CZ-CB 4.24Å; F499-A503 VanDerWaalsContact O-CB 3.3Å; F499-A503 WeakPolarHBondContact O-CB 3.28Å; F499-A503 PolarHBondContact O-N 2.83Å
500	E	90.5	Very high	90.5	Very high	112 Å²	112	37.4 Å²	37.4	52%	0.523	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-42.7	176.6	-74.1	168.1	-163	0	0	111.9	R496 K497 E498 A503 Q504	R496-E500 PolarHBondContact O-N 3.22Å; R496-E500 VanDerWaalsContact O-N 3.12Å; K497-E500 PolarHBondContact O-N 3.45Å; E498-E500 PolarHBondContact O-N 3.32Å; E500-A503 PolarHBondContact O-N 3.09Å; E500-Q504 PolarHBondContact O-N 2.59Å
501	V	90.8	Very high	90	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-42	175.4	-174.3	0	0	0	0	110.8	F470 L474 M477 E498 F499 A503 Q504 I505	F470-V501 HydrophobicContact CB-CG1 4.28Å; F470-V501 HydrophobicContact CD1-CG1 3.78Å; L474-V501 HydrophobicContact CD1-CG1 4.06Å; L474-V501 HydrophobicContact CD2-CB 4.04Å; L474-V501 HydrophobicContact CD2-CG1 4.33Å; L474-V501 HydrophobicContact CD2-CG2 4.45Å; L474-V501 HydrophobicContact CG-CB 4.22Å; L474-V501 HydrophobicContact CG-CG1 3.95Å; M477-V501 HydrophobicContact CE-CG2 3.82Å; E498-V501 PolarHBondContact O-N 3.24Å; F499-V501 VanDerWaalsContact C-N 3.32Å; F499-V501 PolarHBondContact O-N 3.25Å; V501-A503 VanDerWaalsContact C-N 3.32Å; V501-A503 PolarHBondContact O-N 2.91Å; V501-Q504 WeakPolarHBondContact O-CB 3.43Å; V501-Q504 PolarHBondContact O-N 2.8Å; V501-I505 PolarHBondContact O-N 2.84Å
502	I	90.4	Very high	89.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-35.2	176	-64.8	-57.4	0	0	0	112.5	C147 P304 C307 L308 L474 E498 F499 Q504 I505 K506	C147-I502 WeakPolarHBondContact SG-CG2 3.32Å; P304-I502 HydrophobicContact CB-CD1 4.36Å; P304-I502 HydrophobicContact CB-CG2 3.54Å; P304-I502 WeakPolarHBondContact O-CD1 3.47Å; C307-I502 HydrophobicContact CB-CD1 3.75Å; L308-I502 HydrophobicContact CD2-CD1 4.45Å; L308-I502 HydrophobicContact CD2-CG1 4.14Å; L474-I502 HydrophobicContact CD1-CD1 3.76Å; E498-I502 WeakPolarHBondContact O-CG1 3.43Å; E498-I502 PolarHBondContact O-N 3.43Å; E498-I502 VanDerWaalsContact O-N 3.14Å; F499-I502 CarbonylContact O-C 3.48Å; F499-I502 PolarHBondContact O-N 3.34Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 3.02Å; I502-I505 HydrophobicContact CD1-CD1 4.11Å; I502-I505 WeakPolarHBondContact O-CB 3.45Å; I502-I505 PolarHBondContact O-N 3.49Å; I502-K506 HydrophobicContact CG2-CG 4.49Å; I502-K506 PolarHBondContact O-N 3.02Å
503	A	88.8	Confident	89.1	Confident	36 Å²	36	41 Å²	41	30%	0.298	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-35.4	177.6	0	0	0	0	0	111.6	F499 E500 V501 K506 L507	F499-A503 HydrophobicContact CD1-CB 4.44Å; F499-A503 HydrophobicContact CE1-CB 4.04Å; F499-A503 HydrophobicContact CZ-CB 4.24Å; F499-A503 VanDerWaalsContact O-CB 3.3Å; F499-A503 WeakPolarHBondContact O-CB 3.28Å; F499-A503 PolarHBondContact O-N 2.83Å; E500-A503 PolarHBondContact O-N 3.09Å; V501-A503 VanDerWaalsContact C-N 3.32Å; V501-A503 PolarHBondContact O-N 2.91Å; A503-K506 PolarHBondContact O-N 2.95Å; A503-L507 WeakPolarHBondContact O-CB 3.08Å; A503-L507 PolarHBondContact O-N 3.28Å
504	Q	88.1	Confident	88.8	Confident	98 Å²	98	42.4 Å²	42.4	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-43.7	171.2	-64.2	176.1	24.2	0	0	111.5	F470 E500 V501 I502 L507 L508	F470-Q504 HydrophobicContact CE1-CB 4.09Å; E500-Q504 PolarHBondContact O-N 2.59Å; V501-Q504 WeakPolarHBondContact O-CB 3.43Å; V501-Q504 PolarHBondContact O-N 2.8Å; I502-Q504 VanDerWaalsContact C-N 3.32Å; I502-Q504 PolarHBondContact O-N 3.02Å; Q504-L507 PolarHBondContact O-N 3.14Å; Q504-L508 WeakPolarHBondContact O-CG 3.22Å; Q504-L508 PolarHBondContact O-N 3.44Å
505	I	90.1	Very high	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-51.3	174.2	-62.3	175.1	0	0	0	110.3	F299 C307 L467 F470 V501 I502 L507 L508 Q509	F299-I505 HydrophobicContact CE2-CG2 4.06Å; F299-I505 HydrophobicContact CZ-CG2 4.23Å; C307-I505 HydrophobicContact CB-CD1 4.17Å; L467-I505 HydrophobicContact CD1-CD1 4.17Å; F470-I505 HydrophobicContact CB-CD1 3.99Å; F470-I505 HydrophobicContact CB-CG1 4.35Å; F470-I505 HydrophobicContact CD1-CD1 4.22Å; F470-I505 HydrophobicContact CD1-CG1 3.7Å; F470-I505 HydrophobicContact CE1-CG1 4.24Å; F470-I505 HydrophobicContact CG-CD1 4.28Å; F470-I505 HydrophobicContact CG-CG1 4.07Å; V501-I505 PolarHBondContact O-N 2.84Å; I502-I505 HydrophobicContact CD1-CD1 4.11Å; I502-I505 WeakPolarHBondContact O-CB 3.45Å; I502-I505 PolarHBondContact O-N 3.49Å; I505-L507 VanDerWaalsContact C-N 3.31Å; I505-L507 PolarHBondContact O-N 3.29Å; I505-L508 PolarHBondContact O-N 3.34Å; I505-L508 VanDerWaalsContact O-N 3.15Å; I505-Q509 HydrophobicContact CG2-CG 4.39Å; I505-Q509 WeakPolarHBondContact O-CG 3.32Å; I505-Q509 PolarHBondContact O-N 2.69Å
506	K	88.2	Confident	88	Confident	46 Å²	46	46.9 Å²	46.9	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-39.5	178.1	-73.6	-171.9	177.6	-168.4	0	112.9	Y203 P304 I502 A503 Q509 L510	Y203-K506 PolarHBondContact OH-NZ 3.19Å; P304-K506 HydrophobicContact CB-CG 4.46Å; P304-K506 HydrophobicContact CG-CG 3.91Å; I502-K506 HydrophobicContact CG2-CG 4.49Å; I502-K506 PolarHBondContact O-N 3.02Å; A503-K506 PolarHBondContact O-N 2.95Å; K506-Q509 PolarHBondContact O-N 2.96Å; K506-L510 WeakPolarHBondContact O-CG 3.4Å; K506-L510 PolarHBondContact O-N 2.98Å
507	L	87.9	Confident	87.8	Confident	84 Å²	84	46 Å²	46	44%	0.44	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-40.3	177.3	-178.1	58.7	0	0	0	112	T434 A503 Q504 I505 L510 A511	T434-L507 HydrophobicContact CG2-CD2 3.61Å; T434-L507 HydrophobicContact CG2-CG 4.42Å; A503-L507 WeakPolarHBondContact O-CB 3.08Å; A503-L507 PolarHBondContact O-N 3.28Å; Q504-L507 PolarHBondContact O-N 3.14Å; I505-L507 VanDerWaalsContact C-N 3.31Å; I505-L507 PolarHBondContact O-N 3.29Å; L507-L510 PolarHBondContact O-N 2.99Å; L507-A511 PolarHBondContact O-N 2.94Å; L507-A511 VanDerWaalsContact O-N 3.16Å
508	L	88.4	Confident	87.6	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-36.3	174.2	-67.2	171.4	0	0	0	112	F299 T463 P465 F470 Q504 I505 L510 A511 S512	F299-L508 HydrophobicContact CE1-CB 3.91Å; F299-L508 HydrophobicContact CZ-CB 3.89Å; T463-L508 HydrophobicContact CG2-CD2 3.99Å; P465-L508 HydrophobicContact CB-CD1 4Å; P465-L508 HydrophobicContact CG-CD1 3.88Å; F470-L508 HydrophobicContact CZ-CD1 3.96Å; Q504-L508 WeakPolarHBondContact O-CG 3.22Å; Q504-L508 PolarHBondContact O-N 3.44Å; I505-L508 PolarHBondContact O-N 3.34Å; I505-L508 VanDerWaalsContact O-N 3.15Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 2.89Å; L508-A511 WeakPolarHBondContact O-CB 3.43Å; L508-A511 PolarHBondContact O-N 3.02Å; L508-S512 PolarHBondContact O-N 3.27Å
509	Q	89.3	Confident	87.6	Confident	24 Å²	24	53 Å²	53	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-44.3	173.4	-70.8	178.3	-64.2	0	0	111.2	F299 V302 I505 K506 A511 S512 N513	F299-Q509 HydrophobicContact CD1-CG 4.14Å; F299-Q509 HydrophobicContact CE1-CB 4.32Å; F299-Q509 HydrophobicContact CE1-CG 3.72Å; F299-Q509 HydrophobicContact CE2-CG 4.09Å; F299-Q509 HydrophobicContact CZ-CG 3.66Å; F299-Q509 PolarHBondContact O-NE2 2.88Å; V302-Q509 PolarHBondContact O-NE2 3.34Å; I505-Q509 HydrophobicContact CG2-CG 4.39Å; I505-Q509 WeakPolarHBondContact O-CG 3.32Å; I505-Q509 PolarHBondContact O-N 2.69Å; K506-Q509 PolarHBondContact O-N 2.96Å; Q509-A511 VanDerWaalsContact C-N 3.32Å; Q509-A511 PolarHBondContact O-N 3.27Å; Q509-S512 PolarHBondContact O-N 3.35Å; Q509-S512 VanDerWaalsContact O-N 3.13Å; Q509-S512 PolarHBondContact O-OG 2.85Å; Q509-N513 PolarHBondContact O-N 3.47Å
510	L	85.9	Confident	87.6	Confident	117 Å²	117	54.4 Å²	54.4	61%	0.613	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-39.3	174.2	-69.6	172.9	0	0	0	112.4	K506 L507 L508 N513	K506-L510 WeakPolarHBondContact O-CG 3.4Å; K506-L510 PolarHBondContact O-N 2.98Å; L507-L510 PolarHBondContact O-N 2.99Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 2.89Å; L510-N513 PolarHBondContact O-N 2.62Å
511	A	83.9	Confident	87.7	Confident	14 Å²	14	52.1 Å²	52.1	12%	0.116	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-39.3	173.5	0	0	0	0	0	112.1	G462 L507 L508 Q509 N513 N514	G462-A511 WeakPolarHBondContact CA-O 3.5Å; L507-A511 PolarHBondContact O-N 2.94Å; L507-A511 VanDerWaalsContact O-N 3.16Å; L508-A511 WeakPolarHBondContact O-CB 3.43Å; L508-A511 PolarHBondContact O-N 3.02Å; Q509-A511 VanDerWaalsContact C-N 3.32Å; Q509-A511 PolarHBondContact O-N 3.27Å; A511-N513 PolarHBondContact O-N 3.17Å; A511-N513 VanDerWaalsContact O-N 3.11Å; A511-N514 VanDerWaalsContact O-CB 3.32Å; A511-N514 WeakPolarHBondContact O-CB 3.23Å; A511-N514 PolarHBondContact O-N 3.21Å; A511-N514 PolarHBondContact O-ND2 2.94Å
512	S	86	Confident	87.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-14.3	-179.9	78.9	0	0	0	0	114.8	K300 L508 Q509 N514 Y515	K300-S512 VanDerWaalsContact CE-O 3.23Å; K300-S512 WeakPolarHBondContact CE-O 3.46Å; K300-S512 WeakPolarHBondContact CG-OG 3.49Å; L508-S512 PolarHBondContact O-N 3.27Å; Q509-S512 PolarHBondContact O-N 3.35Å; Q509-S512 VanDerWaalsContact O-N 3.13Å; Q509-S512 PolarHBondContact O-OG 2.85Å; S512-N514 PolarHBondContact O-N 2.94Å; S512-Y515 WeakPolarHBondContact O-CD2 3.36Å; S512-Y515 PolarHBondContact O-N 3.17Å
513	N	82.6	Confident	87.8	Confident	97 Å²	97	54.7 Å²	54.7	52%	0.519	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15	171.3	-68.4	-31	0	0	0	113.3	Q509 L510 A511 Y515	Q509-N513 PolarHBondContact O-N 3.47Å; L510-N513 PolarHBondContact O-N 2.62Å; A511-N513 PolarHBondContact O-N 3.17Å; A511-N513 VanDerWaalsContact O-N 3.11Å; N513-Y515 VanDerWaalsContact C-N 3.28Å; N513-Y515 PolarHBondContact O-N 3.14Å
514	N	83.5	Confident	88	Confident	79 Å²	79	56.5 Å²	56.5	42%	0.422	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.9	177.9	-59.9	-33.2	0	0	0	113.7	Q461 A511 S512	Q461-N514 HydrophobicContact CB-CB 4.23Å; Q461-N514 WeakPolarHBondContact O-CB 3.16Å; Q461-N514 PolarHBondContact O-ND2 2.92Å; A511-N514 VanDerWaalsContact O-CB 3.32Å; A511-N514 WeakPolarHBondContact O-CB 3.23Å; A511-N514 PolarHBondContact O-N 3.21Å; A511-N514 PolarHBondContact O-ND2 2.94Å; S512-N514 PolarHBondContact O-N 2.94Å
515	Y	84.6	Confident	88.1	Confident	15 Å²	15	57.9 Å²	57.9	6%	0.059	30%	0.303	C	S	.	.			trans	-82.4	118.7	172.8	-69	-62.6	0	0	0	110.8	T292 A296 L373 M460 G462 T463 I464 S512 N513 F517	T292-Y515 HydrophobicContact CG2-CD1 3.98Å; T292-Y515 HydrophobicContact CG2-CD2 4.38Å; T292-Y515 HydrophobicContact CG2-CE1 3.62Å; T292-Y515 HydrophobicContact CG2-CE2 4.08Å; T292-Y515 HydrophobicContact CG2-CG 4.34Å; A296-Y515 HydrophobicContact CB-CD2 3.95Å; L373-Y515 WeakPolarHBondContact O-CE1 3.13Å; L373-Y515 PolarHBondContact O-OH 2.98Å; M460-Y515 HydrophobicContact CB-CD1 4.19Å; G462-Y515 VanDerWaalsContact C-OH 3.31Å; G462-Y515 VanDerWaalsContact CA-CZ 3.46Å; T463-Y515 WeakPolarHBondContact CA-OH 3.37Å; T463-Y515 PolarHBondContact N-OH 2.78Å; I464-Y515 HydrophobicContact CD1-CE2 3.97Å; I464-Y515 HydrophobicContact CG1-CD2 4.48Å; I464-Y515 HydrophobicContact CG1-CE2 3.52Å; S512-Y515 WeakPolarHBondContact O-CD2 3.36Å; S512-Y515 PolarHBondContact O-N 3.17Å; N513-Y515 VanDerWaalsContact C-N 3.28Å; N513-Y515 PolarHBondContact O-N 3.14Å; Y515-F517 AromaticContact CD1-CE2 3.43Å; Y515-F517 HydrophobicContact CD1-CE2 3.43Å; Y515-F517 VanDerWaalsContact CD1-CE2 3.43Å; Y515-F517 AromaticContact CD1-CZ 3.76Å; Y515-F517 HydrophobicContact CD1-CZ 3.76Å; Y515-F517 HydrophobicContact CE1-CE2 4.2Å; Y515-F517 HydrophobicContact CE1-CZ 4.33Å; Y515-F517 AromaticContact CG-CE2 3.9Å; Y515-F517 HydrophobicContact CG-CE2 3.9Å
516	S	82.8	Confident	88.3	Confident	80 Å²	80	59.2 Å²	59.2	56%	0.559	31%	0.308	S	S	*	.			trans	-121.8	102.7	167	45.2	0	0	0	0	110.5	M460	M460-S516 VanDerWaalsContact CE-OG 3.26Å; M460-S516 WeakPolarHBondContact CE-OG 3.45Å; M460-S516 PolarHBondContact SD-OG 2.8Å
517	F	87.1	Confident	88.6	Confident	34 Å²	34	58.1 Å²	58.1	15%	0.149	30%	0.304	C	S	.	.			trans	-121.1	147.3	173.4	-56.6	-69.3	0	0	0	109.7	E289 T292 L293 L373 Y515	E289-F517 HydrophobicContact CB-CD1 3.88Å; E289-F517 HydrophobicContact CB-CE1 4.15Å; E289-F517 HydrophobicContact CB-CG 4.27Å; E289-F517 HydrophobicContact CG-CD1 3.77Å; E289-F517 HydrophobicContact CG-CE1 3.68Å; E289-F517 HydrophobicContact CG-CZ 4.46Å; T292-F517 HydrophobicContact CG2-CE2 3.69Å; T292-F517 HydrophobicContact CG2-CZ 4.3Å; L293-F517 HydrophobicContact CB-CB 4.35Å; L293-F517 HydrophobicContact CB-CD2 4.35Å; L373-F517 HydrophobicContact CD1-CZ 4.31Å; L373-F517 HydrophobicContact CD2-CE1 4.36Å; L373-F517 HydrophobicContact CD2-CZ 4.11Å; Y515-F517 AromaticContact CD1-CE2 3.43Å; Y515-F517 HydrophobicContact CD1-CE2 3.43Å; Y515-F517 VanDerWaalsContact CD1-CE2 3.43Å; Y515-F517 AromaticContact CD1-CZ 3.76Å; Y515-F517 HydrophobicContact CD1-CZ 3.76Å; Y515-F517 HydrophobicContact CE1-CE2 4.2Å; Y515-F517 HydrophobicContact CE1-CZ 4.33Å; Y515-F517 AromaticContact CG-CE2 3.9Å; Y515-F517 HydrophobicContact CG-CE2 3.9Å
518	T	87.9	Confident	88.8	Confident	120 Å²	120	58.2 Å²	58.2	74%	0.736	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-80.4	134.7	169.6	45.6	0	0	0	0	110.2	Q290	Q290-T518 PolarHBondContact NE2-O 3.41Å
519	Q	91.6	Very high	88.9	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.5	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-66.7	133.2	171.2	179.1	179.7	-46.1	0	0	110.3	L293 R524	L293-Q519 HydrophobicContact CD2-CB 4.03Å; Q519-R524 VanDerWaalsContact CD-NH1 3.28Å; Q519-R524 HydrophobicContact CG-CG 4.29Å
520	E	92	Very high	88.9	Confident	58 Å²	58	62 Å²	62	27%	0.271	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-103.6	118.6	172.7	-152.5	-65.7	90.1	0	0	108.6	M286 Q290 H522 F523 R524	M286-E520 HydrophobicContact SD-CB 3.93Å; M286-E520 HydrophobicContact SD-CG 4Å; Q290-E520 HydrophobicContact CG-CB 4.09Å; E520-H522 WeakPolarHBondContact OE1-CB 3.48Å; E520-H522 PolarHBondContact OE1-N 3.38Å; E520-H522 WeakPolarHBondContact OE2-CB 3.4Å; E520-H522 PolarHBondContact OE2-N 3.38Å; E520-H522 IonicContact OE2-ND1 3.2Å; E520-F523 HydrophobicContact CB-CB 4.37Å; E520-F523 WeakPolarHBondContact OE2-CB 3.39Å; E520-F523 PolarHBondContact OE2-N 3.33Å; E520-R524 WeakPolarHBondContact O-CG 3.29Å; E520-R524 PolarHBondContact O-N 3.31Å
521	S	91.7	Very high	89	Confident	64 Å²	64	63 Å²	63	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-72.1	-41.8	-173.7	-61.6	0	0	0	0	112.9	F523 R524 E525	S521-F523 PolarHBondContact O-N 3.05Å; S521-R524 WeakPolarHBondContact O-CB 3.43Å; S521-R524 PolarHBondContact O-N 3.43Å; S521-E525 WeakPolarHBondContact O-CG 3.33Å; S521-E525 PolarHBondContact O-N 2.91Å
522	H	90.9	Very high	89.4	Confident	69 Å²	69	69.9 Å²	69.9	32%	0.319	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-39.2	-175.4	165.3	-101.7	0	0	0	111.2	F277 F282 E520 W526	F277-H522 AromaticContact CD1-CD2 3.93Å; F277-H522 AromaticContact CD1-NE2 3.38Å; F277-H522 WeakPolarHBondContact CD1-NE2 3.38Å; F277-H522 AromaticContact CE1-CD2 3.6Å; F277-H522 AromaticContact CE1-NE2 3.45Å; F277-H522 WeakPolarHBondContact CE1-NE2 3.31Å; F282-H522 AromaticContact CE1-CE1 3.54Å; F282-H522 AromaticContact CE1-ND1 3.26Å; F282-H522 VanDerWaalsContact CE1-ND1 3.26Å; F282-H522 WeakPolarHBondContact CE1-ND1 3.33Å; F282-H522 AromaticContact CZ-CE1 3.55Å; F282-H522 AromaticContact CZ-ND1 3.63Å; E520-H522 WeakPolarHBondContact OE1-CB 3.48Å; E520-H522 PolarHBondContact OE1-N 3.38Å; E520-H522 WeakPolarHBondContact OE2-CB 3.4Å; E520-H522 PolarHBondContact OE2-N 3.38Å; E520-H522 IonicContact OE2-ND1 3.2Å; H522-W526 VanDerWaalsContact O-CB 3.3Å; H522-W526 WeakPolarHBondContact O-CB 3.19Å; H522-W526 PolarHBondContact O-N 3.3Å
523	F	93.3	Very high	89.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-39.9	168.1	-179.8	-95.2	0	0	0	113.2	F282 M286 V287 Q290 F291 E520 S521 W526 F527	F282-F523 HydrophobicContact CD1-CB 4.5Å; F282-F523 HydrophobicContact CD1-CD2 4.17Å; F282-F523 HydrophobicContact CE1-CB 3.9Å; F282-F523 HydrophobicContact CE1-CD2 4.06Å; F282-F523 HydrophobicContact CG-CD2 4.43Å; F282-F523 HydrophobicContact CZ-CB 4.45Å; F282-F523 HydrophobicContact CZ-CD2 4.29Å; M286-F523 HydrophobicContact CE-CB 4.1Å; M286-F523 HydrophobicContact CE-CD2 4.14Å; M286-F523 HydrophobicContact CE-CG 4.31Å; M286-F523 HydrophobicContact SD-CB 4.31Å; V287-F523 HydrophobicContact CB-CE2 4.2Å; V287-F523 HydrophobicContact CG1-CE2 3.84Å; V287-F523 HydrophobicContact CG1-CZ 4.06Å; V287-F523 HydrophobicContact CG2-CD2 4.2Å; V287-F523 HydrophobicContact CG2-CE2 3.83Å; Q290-F523 HydrophobicContact CB-CD1 3.43Å; Q290-F523 VanDerWaalsContact CB-CD1 3.43Å; Q290-F523 HydrophobicContact CB-CE1 3.47Å; Q290-F523 VanDerWaalsContact CB-CE1 3.47Å; Q290-F523 HydrophobicContact CB-CG 4.27Å; Q290-F523 HydrophobicContact CB-CZ 4.33Å; Q290-F523 HydrophobicContact CG-CB 4.38Å; Q290-F523 HydrophobicContact CG-CD1 3.65Å; Q290-F523 HydrophobicContact CG-CE1 4.2Å; Q290-F523 HydrophobicContact CG-CG 4.09Å; F291-F523 HydrophobicContact CD1-CE1 4.48Å; F291-F523 HydrophobicContact CD1-CZ 4.29Å; F291-F523 HydrophobicContact CE1-CE1 4.24Å; F291-F523 AromaticContact CE1-CZ 3.77Å; F291-F523 HydrophobicContact CE1-CZ 3.77Å; F291-F523 HydrophobicContact CE2-CZ 4.24Å; F291-F523 AromaticContact CZ-CZ 3.76Å; F291-F523 HydrophobicContact CZ-CZ 3.76Å; E520-F523 HydrophobicContact CB-CB 4.37Å; E520-F523 WeakPolarHBondContact OE2-CB 3.39Å; E520-F523 PolarHBondContact OE2-N 3.33Å; S521-F523 PolarHBondContact O-N 3.05Å; F523-W526 AromaticContact CD2-CE3 3.87Å; F523-W526 HydrophobicContact CD2-CE3 3.87Å; F523-W526 HydrophobicContact CD2-CZ3 4.16Å; F523-W526 AromaticContact CE2-CE3 3.72Å; F523-W526 HydrophobicContact CE2-CE3 3.72Å; F523-W526 AromaticContact CE2-CZ3 3.54Å; F523-W526 HydrophobicContact CE2-CZ3 3.54Å; F523-W526 HydrophobicContact CZ-CE3 4.43Å; F523-W526 HydrophobicContact CZ-CZ3 4.15Å; F523-F527 HydrophobicContact CE1-CB 4.29Å; F523-F527 HydrophobicContact CZ-CB 4.47Å; F523-F527 VanDerWaalsContact O-CB 3.24Å; F523-F527 WeakPolarHBondContact O-CB 3.44Å; F523-F527 PolarHBondContact O-N 2.83Å
524	R	91.4	Very high	90.2	Very high	73 Å²	73	68.6 Å²	68.6	28%	0.275	38%	0.376	S	S	.	.	H	α-helix	trans	-68	-41.3	178.7	-75.2	-130.8	-179.8	149.2	7.3	112.5	Q519 E520 S521 A528	Q519-R524 VanDerWaalsContact CD-NH1 3.28Å; Q519-R524 HydrophobicContact CG-CG 4.29Å; E520-R524 WeakPolarHBondContact O-CG 3.29Å; E520-R524 PolarHBondContact O-N 3.31Å; S521-R524 WeakPolarHBondContact O-CB 3.43Å; S521-R524 PolarHBondContact O-N 3.43Å; R524-A528 VanDerWaalsContact O-CB 3.27Å; R524-A528 WeakPolarHBondContact O-CB 3.39Å; R524-A528 PolarHBondContact O-N 2.79Å
525	E	92	Very high	90.6	Very high	128 Å²	128	71 Å²	71	60%	0.598	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-47.8	174.3	-72.4	164.3	-153.2	0	0	110.6	S521 A528 A529	S521-E525 WeakPolarHBondContact O-CG 3.33Å; S521-E525 PolarHBondContact O-N 2.91Å; E525-A528 PolarHBondContact O-N 3.43Å; E525-A529 WeakPolarHBondContact O-CB 3.29Å; E525-A529 PolarHBondContact O-N 3.24Å
526	W	93.7	Very high	91.1	Very high	27 Å²	27	73.2 Å²	73.2	10%	0.102	41%	0.406	C	S	.	.	H	α-helix	trans	-57	-51.3	173.7	172.9	80	0	0	0	112.5	F277 F279 F282 C340 T344 H522 F523 A528 A529 V530	F277-W526 PolarHBondContact O-NE1 3.34Å; F279-W526 HydrophobicContact CB-CZ2 3.88Å; F279-W526 AromaticContact CD2-CH2 3.54Å; F279-W526 HydrophobicContact CD2-CH2 3.54Å; F279-W526 AromaticContact CD2-CZ2 3.77Å; F279-W526 HydrophobicContact CD2-CZ2 3.77Å; F279-W526 HydrophobicContact CD2-CZ3 4.4Å; F279-W526 HydrophobicContact CE2-CH2 4.16Å; F279-W526 HydrophobicContact CG-CH2 4.33Å; F279-W526 HydrophobicContact CG-CZ2 4.18Å; F282-W526 HydrophobicContact CD2-CD2 4.46Å; F282-W526 HydrophobicContact CE2-CB 4.16Å; F282-W526 AromaticContact CE2-CD1 4Å; F282-W526 AromaticContact CE2-CD2 3.58Å; F282-W526 HydrophobicContact CE2-CD2 3.58Å; F282-W526 AromaticContact CE2-CE2 3.98Å; F282-W526 AromaticContact CE2-CE3 3.97Å; F282-W526 HydrophobicContact CE2-CE3 3.97Å; F282-W526 AromaticContact CE2-CG 3.63Å; F282-W526 HydrophobicContact CE2-CG 3.63Å; F282-W526 HydrophobicContact CZ-CB 3.82Å; F282-W526 HydrophobicContact CZ-CD2 4.09Å; F282-W526 HydrophobicContact CZ-CE3 4.37Å; F282-W526 AromaticContact CZ-CG 3.83Å; F282-W526 HydrophobicContact CZ-CG 3.83Å; C340-W526 VanDerWaalsContact SG-CH2 3.55Å; T344-W526 HydrophobicContact CG2-CH2 4.15Å; T344-W526 HydrophobicContact CG2-CZ2 3.76Å; H522-W526 VanDerWaalsContact O-CB 3.3Å; H522-W526 WeakPolarHBondContact O-CB 3.19Å; H522-W526 PolarHBondContact O-N 3.3Å; F523-W526 AromaticContact CD2-CE3 3.87Å; F523-W526 HydrophobicContact CD2-CE3 3.87Å; F523-W526 HydrophobicContact CD2-CZ3 4.16Å; F523-W526 AromaticContact CE2-CE3 3.72Å; F523-W526 HydrophobicContact CE2-CE3 3.72Å; F523-W526 AromaticContact CE2-CZ3 3.54Å; F523-W526 HydrophobicContact CE2-CZ3 3.54Å; F523-W526 HydrophobicContact CZ-CE3 4.43Å; F523-W526 HydrophobicContact CZ-CZ3 4.15Å; W526-A528 VanDerWaalsContact C-N 3.33Å; W526-A528 PolarHBondContact O-N 3.34Å; W526-A529 PolarHBondContact O-N 2.99Å; W526-A529 VanDerWaalsContact O-N 3.09Å; W526-V530 HydrophobicContact CD2-CG2 4.47Å; W526-V530 HydrophobicContact CH2-CG2 4.42Å; W526-V530 HydrophobicContact CZ2-CG2 4.17Å; W526-V530 WeakPolarHBondContact O-CG2 3.47Å; W526-V530 PolarHBondContact O-N 3.32Å
527	F	94.2	Very high	91.7	Very high	24 Å²	24	74.2 Å²	74.2	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-35.7	-177.8	-178.2	-107.4	0	0	0	112.5	F291 M294 V337 C340 F523 A529 V530	F291-F527 AromaticContact CE1-CD2 3.89Å; F291-F527 HydrophobicContact CE1-CD2 3.89Å; F291-F527 AromaticContact CE1-CE2 3.56Å; F291-F527 HydrophobicContact CE1-CE2 3.56Å; F291-F527 AromaticContact CE1-CZ 4Å; F291-F527 HydrophobicContact CE1-CZ 4Å; F291-F527 HydrophobicContact CZ-CD2 4.3Å; F291-F527 HydrophobicContact CZ-CE2 4.09Å; M294-F527 HydrophobicContact CE-CD1 4Å; M294-F527 HydrophobicContact CE-CE1 3.83Å; M294-F527 HydrophobicContact SD-CD1 4.45Å; V337-F527 HydrophobicContact CG2-CZ 4.23Å; C340-F527 HydrophobicContact CB-CD2 4.12Å; C340-F527 HydrophobicContact CB-CE2 3.63Å; F523-F527 HydrophobicContact CE1-CB 4.29Å; F523-F527 HydrophobicContact CZ-CB 4.47Å; F523-F527 VanDerWaalsContact O-CB 3.24Å; F523-F527 WeakPolarHBondContact O-CB 3.44Å; F523-F527 PolarHBondContact O-N 2.83Å; F527-A529 VanDerWaalsContact C-N 3.31Å; F527-V530 PolarHBondContact O-N 3.39Å
528	A	91.5	Very high	92.1	Very high	86 Å²	86	72.8 Å²	72.8	71%	0.711	40%	0.396	S	S	*	.	H	α-helix	trans	-69.7	-27.5	174.3	0	0	0	0	0	113	R524 E525 W526	R524-A528 VanDerWaalsContact O-CB 3.27Å; R524-A528 WeakPolarHBondContact O-CB 3.39Å; R524-A528 PolarHBondContact O-N 2.79Å; E525-A528 PolarHBondContact O-N 3.43Å; W526-A528 VanDerWaalsContact C-N 3.33Å; W526-A528 PolarHBondContact O-N 3.34Å
529	A	90.6	Very high	92.4	Very high	84 Å²	84	71.6 Å²	71.6	69%	0.694	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.3	178	0	0	0	0	0	114.4	E525 W526 F527 E531	E525-A529 WeakPolarHBondContact O-CB 3.29Å; E525-A529 PolarHBondContact O-N 3.24Å; W526-A529 PolarHBondContact O-N 2.99Å; W526-A529 VanDerWaalsContact O-N 3.09Å; F527-A529 VanDerWaalsContact C-N 3.31Å; A529-E531 PolarHBondContact O-N 2.94Å
530	V	89.8	Confident	92.5	Very high	25 Å²	25	70.7 Å²	70.7	15%	0.152	38%	0.378	C	S	.	.	S	Bend	trans	-71.3	123.3	177.8	-176.3	0	0	0	0	110.8	C340 T343 W526 F527	C340-V530 HydrophobicContact CB-CG1 4.42Å; T343-V530 HydrophobicContact CG2-CG1 3.7Å; W526-V530 HydrophobicContact CD2-CG2 4.47Å; W526-V530 HydrophobicContact CH2-CG2 4.42Å; W526-V530 HydrophobicContact CZ2-CG2 4.17Å; W526-V530 WeakPolarHBondContact O-CG2 3.47Å; W526-V530 PolarHBondContact O-N 3.32Å; F527-V530 PolarHBondContact O-N 3.39Å
531	E	88.1	Confident	92.7	Very high	138 Å²	138	70 Å²	70	65%	0.645	38%	0.375	S	S	*	.			trans	-60.3	135.6	179	-176.7	174.7	-148.9	0	0	112.7	N339 T343 A529 L533	N339-E531 PolarHBondContact OD1-O 3.41Å; T343-E531 HydrophobicContact CG2-CB 4.33Å; T343-E531 WeakPolarHBondContact CG2-O 3.27Å; T343-E531 PolarHBondContact OG1-O 3.4Å; A529-E531 PolarHBondContact O-N 2.94Å; E531-L533 HydrophobicContact CG-CD2 4.45Å; E531-L533 PolarHBondContact O-N 3.14Å
532	K	91.4	Very high	92.9	Very high	159 Å²	159	66.9 Å²	66.9	69%	0.691	35%	0.354	S	S	*	.			trans	-93.1	82.3	-176.6	-69.2	-178.1	-179	175.2	0	112	N339	N339-K532 WeakPolarHBondContact OD1-CA 3.49Å
533	L	91.8	Very high	93	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.089	35%	0.349	C	S	.	.			trans	-63.7	135.4	175.8	-60.6	176.8	0	0	0	111.7	N339 T343 L346 E531 E537 L541	N339-L533 PolarHBondContact ND2-O 2.91Å; T343-L533 HydrophobicContact CG2-CD1 4.27Å; T343-L533 HydrophobicContact CG2-CG 4.37Å; T343-L533 WeakPolarHBondContact OG1-CG 3.27Å; L346-L533 HydrophobicContact CD1-CD1 4.35Å; E531-L533 HydrophobicContact CG-CD2 4.45Å; E531-L533 PolarHBondContact O-N 3.14Å; L533-E537 HydrophobicContact CD2-CB 4.35Å; L533-L541 HydrophobicContact CD1-CD1 3.83Å; L533-L541 HydrophobicContact CD2-CD1 3.92Å
534	S	94.8	Very high	93	Very high	53 Å²	53	71.3 Å²	71.3	37%	0.371	38%	0.378	S	S	.	.			trans	-69.7	167	165.5	67.5	0	0	0	0	112	A536 E537 S538	S534-A536 VanDerWaalsContact C-N 3.28Å; S534-A536 PolarHBondContact O-N 3.14Å; S534-E537 WeakPolarHBondContact CB-OE2 3.44Å; S534-E537 PolarHBondContact N-OE2 2.8Å; S534-E537 PolarHBondContact O-N 3.4Å; S534-E537 VanDerWaalsContact OG-CD 3.23Å; S534-E537 WeakPolarHBondContact OG-CG 3.41Å; S534-E537 PolarHBondContact OG-N 2.61Å; S534-E537 VanDerWaalsContact OG-N 3.16Å; S534-E537 PolarHBondContact OG-OE2 2.74Å; S534-S538 WeakPolarHBondContact O-CB 3.46Å; S534-S538 PolarHBondContact O-N 2.81Å; S534-S538 PolarHBondContact O-OG 3.1Å
535	E	92.3	Very high	93.1	Very high	130 Å²	130	68.7 Å²	68.7	61%	0.607	37%	0.369	S	S	*	.	H	α-helix	trans	-57.5	-43.9	173.8	-174.4	174.4	-176.4	0	0	111	S538 Y539	E535-S538 PolarHBondContact O-N 2.82Å; E535-S538 PolarHBondContact O-OG 3.16Å; E535-Y539 WeakPolarHBondContact O-CB 3.41Å; E535-Y539 PolarHBondContact O-N 3.09Å
536	A	94.1	Very high	93.1	Very high	62 Å²	62	63.1 Å²	63.1	51%	0.512	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-46.3	179.2	0	0	0	0	0	112.7	S534 Y539 N540	S534-A536 VanDerWaalsContact C-N 3.28Å; S534-A536 PolarHBondContact O-N 3.14Å; A536-Y539 PolarHBondContact O-N 3.37Å; A536-N540 WeakPolarHBondContact O-CB 3.46Å; A536-N540 PolarHBondContact O-N 3.13Å; A536-N540 PolarHBondContact O-ND2 2.99Å
537	E	94.9	Very high	93	Very high	100 Å²	100	66.2 Å²	66.2	47%	0.467	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-44.8	177.7	-71.2	155.4	145.5	0	0	111.4	L533 S534 Y539 N540 L541	L533-E537 HydrophobicContact CD2-CB 4.35Å; S534-E537 WeakPolarHBondContact CB-OE2 3.44Å; S534-E537 PolarHBondContact N-OE2 2.8Å; S534-E537 PolarHBondContact O-N 3.4Å; S534-E537 VanDerWaalsContact OG-CD 3.23Å; S534-E537 WeakPolarHBondContact OG-CG 3.41Å; S534-E537 PolarHBondContact OG-N 2.61Å; S534-E537 VanDerWaalsContact OG-N 3.16Å; S534-E537 PolarHBondContact OG-OE2 2.74Å; E537-Y539 VanDerWaalsContact C-N 3.26Å; E537-Y539 PolarHBondContact O-N 2.89Å; E537-N540 PolarHBondContact O-N 3.15Å; E537-L541 WeakPolarHBondContact O-CB 3.29Å; E537-L541 WeakPolarHBondContact O-CG 3.22Å; E537-L541 PolarHBondContact O-N 3.18Å
538	S	95.7	Very high	92.4	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.028	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-37.3	176.8	79.1	0	0	0	0	112.5	L346 S390 S534 E535 S542	L346-S538 WeakPolarHBondContact CD1-O 3.38Å; S390-S538 PolarHBondContact OG-OG 3.13Å; S534-S538 WeakPolarHBondContact O-CB 3.46Å; S534-S538 PolarHBondContact O-N 2.81Å; S534-S538 PolarHBondContact O-OG 3.1Å; E535-S538 PolarHBondContact O-N 2.82Å; E535-S538 PolarHBondContact O-OG 3.16Å; S538-S542 VanDerWaalsContact O-CB 3.29Å; S538-S542 WeakPolarHBondContact O-CB 3.25Å; S538-S542 PolarHBondContact O-N 3.25Å
539	Y	94.9	Very high	91.5	Very high	96 Å²	96	67.8 Å²	67.8	38%	0.376	37%	0.371	S	S	.	.	H	α-helix	trans	-73.2	-39.6	178.5	-173.5	-92.9	0	0	0	112	S390 E535 A536 E537 S542 C543	S390-Y539 WeakPolarHBondContact OG-CA 3.43Å; S390-Y539 PolarHBondContact OG-N 2.92Å; E535-Y539 WeakPolarHBondContact O-CB 3.41Å; E535-Y539 PolarHBondContact O-N 3.09Å; A536-Y539 PolarHBondContact O-N 3.37Å; E537-Y539 VanDerWaalsContact C-N 3.26Å; E537-Y539 PolarHBondContact O-N 2.89Å; Y539-S542 WeakPolarHBondContact O-CB 3.42Å; Y539-S542 PolarHBondContact O-N 3.36Å; Y539-C543 VanDerWaalsContact CE1-SG 3.52Å; Y539-C543 PolarHBondContact O-N 2.81Å; Y539-C543 PolarHBondContact O-SG 3Å
540	N	94.6	Very high	89.9	Confident	88 Å²	88	71.3 Å²	71.3	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-51.4	175.7	-70.2	-25.4	0	0	0	111.1	A536 E537 S542 C543 E544	A536-N540 WeakPolarHBondContact O-CB 3.46Å; A536-N540 PolarHBondContact O-N 3.13Å; A536-N540 PolarHBondContact O-ND2 2.99Å; E537-N540 PolarHBondContact O-N 3.15Å; N540-S542 VanDerWaalsContact C-N 3.28Å; N540-S542 PolarHBondContact O-N 3.3Å; N540-C543 CarbonylContact O-C 3.47Å; N540-C543 WeakPolarHBondContact O-CA 3.43Å; N540-C543 WeakPolarHBondContact O-CB 3.31Å; N540-C543 PolarHBondContact O-N 2.92Å; N540-E544 PolarHBondContact O-N 3.23Å
541	L	94.4	Very high	88.2	Confident	42 Å²	42	74.6 Å²	74.6	22%	0.22	40%	0.397	C	S	.	.	H	α-helix	trans	-56.6	-41.6	175.1	-71.5	168.7	0	0	0	111.7	P349 L533 E537 C543 E544 I545	P349-L541 HydrophobicContact CG-CD2 4.27Å; L533-L541 HydrophobicContact CD1-CD1 3.83Å; L533-L541 HydrophobicContact CD2-CD1 3.92Å; E537-L541 WeakPolarHBondContact O-CB 3.29Å; E537-L541 WeakPolarHBondContact O-CG 3.22Å; E537-L541 PolarHBondContact O-N 3.18Å; L541-C543 VanDerWaalsContact C-N 3.32Å; L541-C543 PolarHBondContact O-N 3.45Å; L541-E544 PolarHBondContact O-N 3.31Å; L541-I545 WeakPolarHBondContact O-CD1 3.23Å; L541-I545 VanDerWaalsContact O-CG1 3.25Å; L541-I545 WeakPolarHBondContact O-CG1 3.19Å; L541-I545 PolarHBondContact O-N 3.08Å
542	S	95.9	Very high	86.6	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-41.3	173.3	-177.4	0	0	0	0	112.5	S390 R393 L394 S538 Y539 N540 E544 I545 E546	S390-S542 WeakPolarHBondContact O-CB 3.39Å; S390-S542 PolarHBondContact O-OG 2.7Å; R393-S542 WeakPolarHBondContact CD-OG 3.2Å; R393-S542 VanDerWaalsContact CG-OG 3.23Å; R393-S542 WeakPolarHBondContact CG-OG 3.19Å; R393-S542 PolarHBondContact NH1-O 3.07Å; R393-S542 PolarHBondContact NH1-OG 3.23Å; L394-S542 VanDerWaalsContact CD2-OG 3.29Å; L394-S542 WeakPolarHBondContact CD2-OG 3.32Å; S538-S542 VanDerWaalsContact O-CB 3.29Å; S538-S542 WeakPolarHBondContact O-CB 3.25Å; S538-S542 PolarHBondContact O-N 3.25Å; Y539-S542 WeakPolarHBondContact O-CB 3.42Å; Y539-S542 PolarHBondContact O-N 3.36Å; N540-S542 VanDerWaalsContact C-N 3.28Å; N540-S542 PolarHBondContact O-N 3.3Å; S542-E544 VanDerWaalsContact C-N 3.33Å; S542-I545 PolarHBondContact O-N 3.18Å; S542-E546 PolarHBondContact O-N 3.41Å
543	C	94.1	Very high	84.8	Confident	31 Å²	31	64.4 Å²	64.4	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-71.2	-24.5	177.8	-68.5	0	0	0	0	113.5	Y539 N540 L541 E546 P547	Y539-C543 VanDerWaalsContact CE1-SG 3.52Å; Y539-C543 PolarHBondContact O-N 2.81Å; Y539-C543 PolarHBondContact O-SG 3Å; N540-C543 CarbonylContact O-C 3.47Å; N540-C543 WeakPolarHBondContact O-CA 3.43Å; N540-C543 WeakPolarHBondContact O-CB 3.31Å; N540-C543 PolarHBondContact O-N 2.92Å; L541-C543 VanDerWaalsContact C-N 3.32Å; L541-C543 PolarHBondContact O-N 3.45Å; C543-E546 CarbonylContact O-C 3.53Å; C543-P547 WeakPolarHBondContact O-CA 3.49Å
544	E	92.8	Very high	82.9	Confident	130 Å²	130	68.3 Å²	68.3	61%	0.607	38%	0.384	S	S	*	.	H	α-helix	trans	-74.5	-43.7	170.6	-69	171	-168.5	0	0	111.5	N540 L541 S542	N540-E544 PolarHBondContact O-N 3.23Å; L541-E544 PolarHBondContact O-N 3.31Å; S542-E544 VanDerWaalsContact C-N 3.33Å
545	I	93.5	Very high	81	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.092	39%	0.394	C	S	.	.	H	α-helix	trans	-66.1	-47.3	178.3	-66.9	161.1	0	0	0	111.5	L346 P349 L394 R396 L541 S542	L346-I545 HydrophobicContact CB-CD1 4.41Å; L346-I545 HydrophobicContact CD2-CD1 3.64Å; P349-I545 HydrophobicContact CB-CG1 3.9Å; L394-I545 HydrophobicContact CD2-CB 4.42Å; L394-I545 HydrophobicContact CD2-CG2 4.15Å; R396-I545 PolarHBondContact NH2-O 2.99Å; L541-I545 WeakPolarHBondContact O-CD1 3.23Å; L541-I545 VanDerWaalsContact O-CG1 3.25Å; L541-I545 WeakPolarHBondContact O-CG1 3.19Å; L541-I545 PolarHBondContact O-N 3.08Å; S542-I545 PolarHBondContact O-N 3.18Å
546	E	92.6	Very high	78.9	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.056	39%	0.392	C	S	.	.	S	Bend	trans	-128.7	92.8	174.3	-57.4	-152.3	-145.7	0	0	110.5	R393 L394 K395 R396 T397 S542 C543	R393-E546 VanDerWaalsContact CZ-O 3.29Å; R393-E546 PolarHBondContact NH1-O 2.92Å; R393-E546 PolarHBondContact NH2-O 3.22Å; L394-E546 VanDerWaalsContact CA-OE1 3.31Å; L394-E546 WeakPolarHBondContact CA-OE1 3.03Å; L394-E546 HydrophobicContact CB-CG 4.48Å; L394-E546 WeakPolarHBondContact CB-OE1 3.32Å; L394-E546 HydrophobicContact CD2-CB 4.04Å; L394-E546 HydrophobicContact CD2-CG 3.75Å; K395-E546 PolarHBondContact N-OE2 3.21Å; R396-E546 WeakPolarHBondContact CB-OE2 3.44Å; R396-E546 WeakPolarHBondContact CG-OE2 3.46Å; R396-E546 IonicContact CZ-OE2 3.01Å; R396-E546 PolarHBondContact N-OE1 2.97Å; R396-E546 PolarHBondContact N-OE2 2.94Å; R396-E546 IonicContact NE-OE2 3.8Å; R396-E546 PolarHBondContact NE-OE2 2.99Å; T397-E546 WeakPolarHBondContact CB-OE1 3.47Å; T397-E546 PolarHBondContact N-OE1 3.42Å; T397-E546 PolarHBondContact OG1-OE1 3.35Å; S542-E546 PolarHBondContact O-N 3.41Å; C543-E546 CarbonylContact O-C 3.53Å
547	P	90.3	Very high	76.7	Confident	91 Å²	91	74.6 Å²	74.6	59%	0.591	40%	0.399	S	S	*	.			trans	-57.1	145.4	176	-28.7	36.9	0	0	0	113.4	C543 S549	C543-P547 WeakPolarHBondContact O-CA 3.49Å; P547-S549 PolarHBondContact O-N 2.87Å
548	L	82.1	Confident	74.4	Confident	59 Å²	59	72.9 Å²	72.9	31%	0.309	40%	0.402	S	S	.	.			trans	-63.7	123.2	172.7	-68.4	172.7	0	0	0	109.8	S553 L556	L548-S553 PolarHBondContact O-OG 3.38Å; L548-L556 HydrophobicContact CD1-CD1 3.8Å
549	S	72.9	Confident	72.1	Confident	85 Å²	85	81.3 Å²	81.3	59%	0.594	44%	0.438	S	S	*	.			trans	-45.7	142.2	174.9	179.8	0	0	0	0	111.5	P547 S551 A552 S553	P547-S549 PolarHBondContact O-N 2.87Å; S549-S551 PolarHBondContact O-N 2.89Å; S549-A552 PolarHBondContact O-N 2.8Å; S549-S553 PolarHBondContact O-N 2.89Å; S549-S553 VanDerWaalsContact O-N 3.12Å
550	E	56.8	Low	69.7	Low	157 Å²	157	85.3 Å²	85.3	73%	0.734	46%	0.457	S	S	*	.	H	α-helix	trans	-53.1	-35.6	-170.2	-62.6	-170.2	128.4	0	0	112.7	A552 S553 N554	E550-A552 PolarHBondContact O-N 3.47Å; E550-S553 PolarHBondContact O-N 3.35Å; E550-N554 VanDerWaalsContact O-CB 3.31Å; E550-N554 WeakPolarHBondContact O-CB 3.48Å; E550-N554 PolarHBondContact O-N 2.93Å; E550-N554 PolarHBondContact O-ND2 2.95Å; E550-N554 VanDerWaalsContact O-ND2 3.17Å
551	S	55.4	Low	67.2	Low	94 Å²	94	87.4 Å²	87.4	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-55.9	-33.2	174.8	-50.9	0	0	0	0	114.2	S549 T555	S549-S551 PolarHBondContact O-N 2.89Å; S551-T555 PolarHBondContact O-OG1 2.91Å; S551-T555 VanDerWaalsContact O-OG1 3.07Å
552	A	53.1	Low	64.8	Low	43 Å²	43	88.8 Å²	88.8	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-90.6	-37.7	176.7	0	0	0	0	0	112.1	S549 E550 N554 T555 L556	S549-A552 PolarHBondContact O-N 2.8Å; E550-A552 PolarHBondContact O-N 3.47Å; A552-N554 VanDerWaalsContact C-N 3.25Å; A552-N554 PolarHBondContact O-N 2.93Å; A552-T555 WeakPolarHBondContact O-CB 3.49Å; A552-T555 PolarHBondContact O-N 3.01Å; A552-T555 VanDerWaalsContact O-N 3.11Å; A552-L556 PolarHBondContact O-N 3.46Å; A552-L556 VanDerWaalsContact O-N 3.16Å
553	S	53.4	Low	62.3	Low	40 Å²	40	91.3 Å²	91.3	28%	0.28	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-34.6	174.7	-70.6	0	0	0	0	112.2	L548 S549 E550 L556 R557	L548-S553 PolarHBondContact O-OG 3.38Å; S549-S553 PolarHBondContact O-N 2.89Å; S549-S553 VanDerWaalsContact O-N 3.12Å; E550-S553 PolarHBondContact O-N 3.35Å; S553-L556 PolarHBondContact O-N 2.83Å; S553-R557 WeakPolarHBondContact O-CB 3.33Å; S553-R557 WeakPolarHBondContact O-CG 3.46Å; S553-R557 PolarHBondContact O-N 3.08Å
554	N	51.8	Low	60.1	Low	99 Å²	99	97.5 Å²	97.5	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-67	-36.7	173.3	-74.7	-29.2	0	0	0	112.6	E550 A552 R557 A558	E550-N554 VanDerWaalsContact O-CB 3.31Å; E550-N554 WeakPolarHBondContact O-CB 3.48Å; E550-N554 PolarHBondContact O-N 2.93Å; E550-N554 PolarHBondContact O-ND2 2.95Å; E550-N554 VanDerWaalsContact O-ND2 3.17Å; A552-N554 VanDerWaalsContact C-N 3.25Å; A552-N554 PolarHBondContact O-N 2.93Å; N554-R557 PolarHBondContact O-N 2.88Å; N554-A558 VanDerWaalsContact O-CB 3.27Å; N554-A558 WeakPolarHBondContact O-CB 3.08Å; N554-A558 PolarHBondContact O-N 2.91Å
555	T	55.3	Low	57.2	Low	95 Å²	95	99.2 Å²	99.2	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-40.4	175.4	-38	0	0	0	0	111.7	S551 A552 A558 K559	S551-T555 PolarHBondContact O-OG1 2.91Å; S551-T555 VanDerWaalsContact O-OG1 3.07Å; A552-T555 WeakPolarHBondContact O-CB 3.49Å; A552-T555 PolarHBondContact O-N 3.01Å; A552-T555 VanDerWaalsContact O-N 3.11Å; T555-A558 PolarHBondContact O-N 3.21Å; T555-K559 WeakPolarHBondContact O-CB 3.36Å; T555-K559 PolarHBondContact O-N 3.48Å
556	L	48.7	Very low	54.5	Low	105 Å²	105	108.5 Å²	108.5	55%	0.55	60%	0.598	S	S	.	*	H	α-helix	trans	-68.7	-40.6	175.4	-73.1	168.3	0	0	0	112.1	L548 A552 S553 K559 K560	L548-L556 HydrophobicContact CD1-CD1 3.8Å; A552-L556 PolarHBondContact O-N 3.46Å; A552-L556 VanDerWaalsContact O-N 3.16Å; S553-L556 PolarHBondContact O-N 2.83Å; L556-K559 PolarHBondContact O-N 3.44Å; L556-K560 PolarHBondContact O-N 3.06Å
557	R	48.2	Very low	51.5	Low	178 Å²	178	118 Å²	118	67%	0.672	63%	0.634	S	S	*	*	H	α-helix	trans	-65	-40.2	172.9	-75.5	-178.6	173.8	-168.5	-1.2	112.2	S553 N554 K560 N561	S553-R557 WeakPolarHBondContact O-CB 3.33Å; S553-R557 WeakPolarHBondContact O-CG 3.46Å; S553-R557 PolarHBondContact O-N 3.08Å; N554-R557 PolarHBondContact O-N 2.88Å; R557-K560 PolarHBondContact O-N 3.33Å; R557-N561 WeakPolarHBondContact O-CB 3.21Å; R557-N561 VanDerWaalsContact O-CG 3.31Å; R557-N561 PolarHBondContact O-N 2.75Å; R557-N561 PolarHBondContact O-OD1 3.22Å
558	A	46.8	Very low	48.6	Very low	64 Å²	64	125.4 Å²	125.4	53%	0.529	65%	0.65	S	S	.	*	H	α-helix	trans	-61.7	-42.8	173.2	0	0	0	0	0	111.6	N554 T555 K560 N561 G562	N554-A558 VanDerWaalsContact O-CB 3.27Å; N554-A558 WeakPolarHBondContact O-CB 3.08Å; N554-A558 PolarHBondContact O-N 2.91Å; T555-A558 PolarHBondContact O-N 3.21Å; A558-K560 PolarHBondContact O-N 3.05Å; A558-N561 PolarHBondContact O-N 3.29Å; A558-G562 PolarHBondContact O-N 3.07Å
559	K	46.4	Very low	46	Very low	181 Å²	181	128 Å²	128	79%	0.787	67%	0.674	S	S	*	*	H	α-helix	trans	-67	-33.7	176.6	-161.5	170.5	-174.9	178.1	0	112.8	T555 L556	T555-K559 WeakPolarHBondContact O-CB 3.36Å; T555-K559 PolarHBondContact O-N 3.48Å; L556-K559 PolarHBondContact O-N 3.44Å
560	K	45.5	Very low	43.9	Very low	179 Å²	179	132 Å²	132	78%	0.778	69%	0.688	S	S	*	*	H	α-helix	trans	-71.2	-35.3	172.5	-169	168.4	-177.1	172.1	0	112.6	L556 R557 A558	L556-K560 PolarHBondContact O-N 3.06Å; R557-K560 PolarHBondContact O-N 3.33Å; A558-K560 PolarHBondContact O-N 3.05Å
561	N	41	Very low	42.5	Very low	132 Å²	132	136 Å²	136	71%	0.706	70%	0.697	S	S	*	*	H	α-helix	trans	-84.7	-19.3	-179.3	-70	6.2	0	0	0	113.8	R557 A558 G563	R557-N561 WeakPolarHBondContact O-CB 3.21Å; R557-N561 VanDerWaalsContact O-CG 3.31Å; R557-N561 PolarHBondContact O-N 2.75Å; R557-N561 PolarHBondContact O-OD1 3.22Å; A558-N561 PolarHBondContact O-N 3.29Å; N561-G563 PolarHBondContact O-N 2.84Å
562	G	43.8	Very low	41.3	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	2.8	171.8	0	0	0	0	0	114.7	A558	A558-G562 PolarHBondContact O-N 3.07Å
563	G	43.4	Very low	40.2	Very low	53 Å²	53	145.7 Å²	145.7	55%	0.546	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-0.3	-165.8	0	0	0	0	0	117.6	N561	N561-G563 PolarHBondContact O-N 2.84Å
564	I	48.6	Very low	38.9	Very low	160 Å²	160	150 Å²	150	82%	0.821	75%	0.753	S	S	*	*			trans	-155.5	118.3	168.4	-133.4	78.7	0	0	0	109.9
565	M	32.4	Very low	37.8	Very low	166 Å²	166	154.2 Å²	154.2	82%	0.818	77%	0.77	S	S	*	*			trans	173.8	66.4	147.1	-166.1	58.6	148.6	0	0	111.6	R567	M565-R567 HydrophobicContact SD-CB 4.48Å
566	K	37	Very low	36.5	Very low	214 Å²	214	154.8 Å²	154.8	93%	0.93	78%	0.784	S	S	*	*			trans	-97.5	91.5	157.1	-105.2	-163.2	177.6	-175.6	0	109.2
567	R	29.3	Very low	35.4	Very low	211 Å²	211	153.4 Å²	153.4	80%	0.796	80%	0.795	S	S	*	*			trans	-137.6	111.5	163.3	-160.4	173.6	-164.2	169.4	5.7	108.8	M565	M565-R567 HydrophobicContact SD-CB 4.48Å
568	W	28	Very low	34.3	Very low	246 Å²	246	150.7 Å²	150.7	93%	0.932	80%	0.802	S	S	*	*			trans	-61.6	141.8	173.4	-67.9	-57.8	0	0	0	110.5
569	S	28.7	Very low	33.4	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	82%	0.818	S	S	*	*			trans	-158.2	75.2	161.8	-75.4	0	0	0	0	108.5	R571	S569-R571 PolarHBondContact O-N 2.92Å
570	D	28.4	Very low	32.4	Very low	168 Å²	168	149 Å²	149	90%	0.898	82%	0.823	S	S	*	*			trans	-64.4	120.4	159	-108.2	-46.1	0	0	0	108.3
571	R	27.7	Very low	31.5	Very low	242 Å²	242	144.3 Å²	144.3	91%	0.913	83%	0.825	S	S	*	*			trans	-149.1	106.2	154.8	-131.6	177	-170.3	-129.6	-3.6	110.4	S569	S569-R571 PolarHBondContact O-N 2.92Å
572	Q	30.6	Very low	30.9	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	83%	0.827	S	S	*	*			trans	-74.7	170.8	178.8	-150.9	169.7	11.4	0	0	111.4
573	L	28.3	Very low	30.2	Very low	158 Å²	158	144 Å²	144	83%	0.827	83%	0.827	S	S	*	*			trans	-44.9	154.6	-177	-65.2	156.5	0	0	0	115.7
574	T	27.1	Very low	29.6	Very low	132 Å²	132	145.8 Å²	145.8	81%	0.81	83%	0.832	S	S	*	*			trans	-67.3	125.4	161.3	46.2	0	0	0	0	111.4
575	E	27.7	Very low	28.7	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	83%	0.831	S	S	*	*				-177.4	155.6	111.6	-101.4	-171.5	-174.4	0	0	113.3
576	A	28.8	Very low	28.6	Very low	107 Å²	107	142.5 Å²	142.5	88%	0.884	82%	0.82	S	S	*	*			trans	56.6	147.3	164.1	0	0	0	0	0	120.9
577	G	26.3	Very low	28.2	Very low	76 Å²	76	141.8 Å²	141.8	78%	0.784	82%	0.816	S	S	*	*			trans	121.9	69.9	156.2	0	0	0	0	0	119.1
578	C	24.1	Very low	28.1	Very low	120 Å²	120	135.9 Å²	135.9	81%	0.811	81%	0.807	S	S	*	*			trans	14.8	133.4	150.9	-58.3	0	0	0	0	123.6
579	S	27.4	Very low	28	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	80%	0.801	S	S	*	*			trans	68	117.5	133.7	62.5	0	0	0	0	123.3
580	G	26.9	Very low	28	Very low	87 Å²	87	133 Å²	133	90%	0.897	79%	0.793	S	S	*	*				117.7	134.4	122.4	0	0	0	0	0	118.6
581	G	27.1	Very low	27.9	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	78%	0.783	S	S	*	*			trans	126.9	94.7	154.4	0	0	0	0	0	118.3
582	A	27.4	Very low	27.8	Very low	90 Å²	90	124.1 Å²	124.1	74%	0.744	76%	0.764	S	S	*	*			trans	-11.6	128.4	154.5	0	0	0	0	0	118.9
583	S	28.6	Very low	27.5	Very low	107 Å²	107	123.4 Å²	123.4	75%	0.748	76%	0.76	S	S	*	*				100.8	160.3	101.9	67.9	0	0	0	0	115
584	S	31.1	Very low	27.2	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	76%	0.758	S	S	*	*			cis	-166.8	164.4	-28.3	-91.3	0	0	0	0	109.3
585	H	29.5	Very low	27.1	Very low	175 Å²	175	129.7 Å²	129.7	81%	0.81	76%	0.76	S	S	*	*			trans	70.4	153.1	163.4	-61.1	-59.4	0	0	0	119.1
586	S	31.1	Very low	27.7	Very low	82 Å²	82	126.1 Å²	126.1	57%	0.573	75%	0.753	S	S	*	*			cis	-174.7	141.8	-33	-101.3	0	0	0	0	110.8
587	K	28.9	Very low	27.6	Very low	199 Å²	199	132.3 Å²	132.3	87%	0.865	76%	0.755	S	S	*	*			trans	68.2	159	143.5	-71.2	-179.2	179.8	-175.8	0	118
588	S	26.2	Very low	27.6	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	76%	0.762	S	S	*	*			cis	-176.7	139.6	-17.5	173.7	0	0	0	0	111.7
589	F	25.9	Very low	27.7	Very low	182 Å²	182	136.3 Å²	136.3	80%	0.798	76%	0.763	S	S	*	*			trans	62.2	161.4	150.5	-84.3	-125.9	0	0	0	119.9
590	D	28.8	Very low	27.5	Very low	119 Å²	119	134.3 Å²	134.3	64%	0.636	76%	0.762	S	S	*	*			cis	-172.1	-173.1	-32.6	-160.9	1.3	0	0	0	109.7
591	H	26.3	Very low	27.5	Very low	149 Å²	149	134.4 Å²	134.4	69%	0.69	76%	0.763	S	S	*	*			trans	94	80	157.3	-71.5	-49.8	0	0	0	121.7
592	S	25.2	Very low	27.4	Very low	74 Å²	74	134 Å²	134	52%	0.517	76%	0.759	S	S	.	*				21.8	131	113.7	60.7	0	0	0	0	121.3
593	H	24.1	Very low	27.4	Very low	165 Å²	165	137.6 Å²	137.6	76%	0.764	77%	0.765	S	S	*	*				177	119.2	99.1	-92.1	-68.4	0	0	0	116.1
594	Y	22.4	Very low	27.4	Very low	198 Å²	198	137.4 Å²	137.4	78%	0.776	76%	0.764	S	S	*	*			trans	39.2	114.1	130.5	-88.2	-101.3	0	0	0	125.1
595	R	25.2	Very low	27.3	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.849	77%	0.77	S	S	*	*				66	162.9	127.3	-95.7	-167.8	172.8	-169.9	-2	121.5
596	P	40.8	Very low	27.2	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	77%	0.772	S	S	*	*			cis	-126.4	-173.9	-14.2	38	-20.4	0	0	0	114.5
597	Y	26.2	Very low	27.1	Very low	237 Å²	237	135.4 Å²	135.4	93%	0.929	77%	0.773	S	S	*	*			trans	-78.6	154.6	179.1	-73	-105	0	0	0	114.1
598	Q	26.8	Very low	27.1	Very low	199 Å²	199	131.5 Å²	131.5	93%	0.93	76%	0.761	S	S	*	*			trans	-136	138.8	148	-168.7	166.1	1	0	0	108.1
599	G	24.9	Very low	27.1	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	76%	0.755	S	S	*	*			trans	-109.7	155.7	-169.3	0	0	0	0	0	114.2
600	G	24.5	Very low	27.4	Very low	81 Å²	81	125.3 Å²	125.3	84%	0.835	74%	0.737	S	S	*	*			trans	-150.7	119	166	0	0	0	0	0	108.6
601	G	25.9	Very low	27.5	Very low	89 Å²	89	125.1 Å²	125.1	92%	0.918	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-82.2	129.3	176.7	0	0	0	0	0	110.5
602	G	26.3	Very low	27.4	Very low	72 Å²	72	123.1 Å²	123.1	74%	0.742	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-101	127.8	166.5	0	0	0	0	0	109.3
603	D	26.7	Very low	27.8	Very low	166 Å²	166	124.8 Å²	124.8	89%	0.888	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-75.4	139.8	174.4	-171.9	22.6	0	0	0	110.5
604	S	28.9	Very low	27.8	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	75%	0.751	S	S	*	*			trans	-125	94.6	-174.9	-84.6	0	0	0	0	110.2	D606	S604-D606 PolarHBondContact O-N 3.5Å
605	G	28.3	Very low	28	Very low	75 Å²	75	118 Å²	118	77%	0.773	75%	0.75	S	S	*	*			trans	-73.7	102.9	174.4	0	0	0	0	0	112.3	A607	G605-A607 PolarHBondContact O-N 3.09Å
606	D	28.8	Very low	28.1	Very low	161 Å²	161	113.5 Å²	113.5	86%	0.861	75%	0.754	S	S	*	*			trans	-70.7	111.5	175.6	-84.3	-35.7	0	0	0	112	S604	S604-D606 PolarHBondContact O-N 3.5Å
607	A	28.5	Very low	27.3	Very low	72 Å²	72	111.5 Å²	111.5	60%	0.595	75%	0.753	S	S	*	*			trans	-91.7	109	174.6	0	0	0	0	0	111.2	G605 S609	G605-A607 PolarHBondContact O-N 3.09Å; A607-S609 PolarHBondContact O-N 3.29Å
608	L	28.2	Very low	27.4	Very low	117 Å²	117	105.5 Å²	105.5	61%	0.613	75%	0.746	S	S	*	*			trans	-56.7	108.7	175.5	-70.6	175.5	0	0	0	111.4	V610	L608-V610 PolarHBondContact O-N 2.75Å
609	S	27.1	Very low	27.2	Very low	69 Å²	69	104.2 Å²	104.2	48%	0.483	75%	0.745	S	S	.	*			trans	-78.4	112.2	179.4	-70.2	0	0	0	0	111	A607 T611	A607-S609 PolarHBondContact O-N 3.29Å; S609-T611 PolarHBondContact O-N 3.01Å
610	V	31.6	Very low	27.4	Very low	69 Å²	69	107.3 Å²	107.3	42%	0.418	74%	0.742	S	S	.	*	S	Bend	trans	-74.2	57.3	178	-75.5	0	0	0	0	113.3	L608	L608-V610 PolarHBondContact O-N 2.75Å
611	T	30	Very low	27.6	Very low	115 Å²	115	112.5 Å²	112.5	71%	0.706	75%	0.745	S	S	*	*			trans	-150.2	68.7	171.5	51.7	0	0	0	0	111.6	S609	S609-T611 PolarHBondContact O-N 3.01Å
612	S	25.7	Very low	27.5	Very low	107 Å²	107	115.4 Å²	115.4	75%	0.748	74%	0.739	S	S	*	*			trans	-150	78.1	174.5	47.4	0	0	0	0	112.8	S614	S612-S614 PolarHBondContact O-N 3.04Å
613	V	31.9	Very low	27.4	Very low	109 Å²	109	118 Å²	118	66%	0.661	74%	0.741	S	S	*	*			trans	-69.2	120.8	166.6	176.9	0	0	0	0	108.8	S615	V613-S615 PolarHBondContact O-N 2.77Å
614	S	25.5	Very low	27.1	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	74%	0.736	S	S	*	*			trans	-82.8	70.6	-171.3	60.2	0	0	0	0	113.5	S612 S616	S612-S614 PolarHBondContact O-N 3.04Å; S614-S616 PolarHBondContact O-N 3.12Å
615	S	27.2	Very low	26.9	Very low	108 Å²	108	118.6 Å²	118.6	76%	0.755	74%	0.741	S	S	*	*			trans	-74.7	90.2	173.5	-67.6	0	0	0	0	111.9	V613 G617	V613-S615 PolarHBondContact O-N 2.77Å; S615-G617 VanDerWaalsContact C-N 3.34Å; S615-G617 PolarHBondContact O-N 2.87Å
616	S	25.9	Very low	26.6	Very low	131 Å²	131	119.6 Å²	119.6	92%	0.916	74%	0.736	S	S	*	*			trans	-76.9	83.9	166.6	-74.3	0	0	0	0	111.1	S614	S614-S616 PolarHBondContact O-N 3.12Å
617	G	24.4	Very low	26.2	Very low	70 Å²	70	122 Å²	122	72%	0.722	74%	0.739	S	S	*	*			trans	-121.5	115	166.4	0	0	0	0	0	109.6	S615	S615-G617 VanDerWaalsContact C-N 3.34Å; S615-G617 PolarHBondContact O-N 2.87Å
618	S	27.4	Very low	26	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	75%	0.75	S	S	*	*			trans	-82.4	124.8	169.8	54.7	0	0	0	0	109.8
619	D	23.3	Very low	25.8	Very low	171 Å²	171	125.4 Å²	125.4	91%	0.914	76%	0.755	S	S	*	*				-160.3	161.6	128.8	-94.8	-30	0	0	0	110
620	L	30.3	Very low	25.5	Very low	146 Å²	146	129 Å²	129	76%	0.764	77%	0.769	S	S	*	*			trans	-110.1	129.1	-173.5	-178.3	103.2	0	0	0	109.3
621	E	27.9	Very low	25.1	Very low	189 Å²	189	130.1 Å²	130.1	88%	0.883	78%	0.78	S	S	*	*			trans	-149.1	136.4	147.9	-80.6	-139.8	134.3	0	0	110.9
622	D	23	Very low	25.2	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	79%	0.785	S	S	*	*			trans	-88.7	126.7	173.9	-70.2	-70.7	0	0	0	110.4
623	V	24.5	Very low	25	Very low	127 Å²	127	134.6 Å²	134.6	77%	0.77	79%	0.792	S	S	*	*			trans	-123.5	120	164.6	-179.4	0	0	0	0	109.7
624	N	21.6	Very low	24.7	Very low	148 Å²	148	132.7 Å²	132.7	79%	0.791	79%	0.794	S	S	*	*			trans	-110.8	114.8	-170.9	-176.5	8.4	0	0	0	110.4
625	T	24.5	Very low	24.7	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	80%	0.798	S	S	*	*			trans	-138.2	75.4	178.9	40.3	0	0	0	0	112.8
626	S	20.4	Very low	24.5	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	80%	0.803	S	S	*	*			trans	-76.7	129.6	159.8	58.9	0	0	0	0	111.3
627	F	22.3	Very low	24.5	Very low	212 Å²	212	145.1 Å²	145.1	93%	0.93	80%	0.803	S	S	*	*			trans	-154.4	160.9	149.6	-107.7	-71.9	0	0	0	111
628	L	23.2	Very low	24.4	Very low	157 Å²	157	151.6 Å²	151.6	82%	0.822	81%	0.811	S	S	*	*			trans	-121.1	173.7	-163.5	-70	169.3	0	0	0	113.2
629	S	23.6	Very low	24.2	Very low	103 Å²	103	153.6 Å²	153.6	72%	0.72	82%	0.819	S	S	*	*			trans	84.2	141.9	156.5	-73.8	0	0	0	0	118.2
630	D	21.2	Very low	24.1	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	81%	0.813	S	S	*	*			cis	-152.8	-178.4	-2.4	-131.7	-63.8	0	0	0	114.9
631	S	22.6	Very low	23.7	Very low	93 Å²	93	150 Å²	150	65%	0.65	81%	0.814	S	S	*	*			trans	-69.8	-177.5	-178.4	-122.4	0	0	0	0	114.6
632	P	32	Very low	23.7	Very low	125 Å²	125	147.2 Å²	147.2	81%	0.812	81%	0.813	S	S	*	*			cis	-141.4	-178.8	31.7	41.4	-19.7	0	0	0	119.1
633	E	22.3	Very low	23.6	Very low	191 Å²	191	145.2 Å²	145.2	89%	0.893	81%	0.81	S	S	*	*			trans	-80.2	170.1	-177.4	-54	166.9	105.1	0	0	115
634	G	25.1	Very low	23.6	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	81%	0.812	S	S	*	*			trans	-167.3	78	177	0	0	0	0	0	118.3
635	H	25.6	Very low	23.6	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.856	81%	0.813	S	S	*	*			trans	50.1	112.6	155.8	-76.7	-62.6	0	0	0	122.1
636	E	23.4	Very low	23.6	Very low	186 Å²	186	149.2 Å²	149.2	87%	0.869	82%	0.817	S	S	*	*			trans	-86	153.9	145.2	-67	-166.6	137	0	0	112
637	R	25.3	Very low	23.7	Very low	241 Å²	241	150.4 Å²	150.4	91%	0.909	82%	0.821	S	S	*	*			trans	-136.7	136.9	162.9	-86.6	-169.9	175.8	-177.2	0.7	111.5
638	K	22.9	Very low	23.8	Very low	207 Å²	207	146.9 Å²	146.9	90%	0.9	82%	0.816	S	S	*	*			trans	-88.3	139.7	175.7	-59.9	171	-179.3	174.8	0	111
639	T	22.7	Very low	23.8	Very low	152 Å²	152	144.9 Å²	144.9	93%	0.933	82%	0.815	S	S	*	*			trans	-140.7	161.8	155.8	39.1	0	0	0	0	109.9
640	S	21.9	Very low	23.8	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	82%	0.818	S	S	*	*			trans	-114.6	166.7	-158	55.3	0	0	0	0	115.2
641	T	22.8	Very low	24	Very low	128 Å²	128	146.6 Å²	146.6	79%	0.785	83%	0.828	S	S	*	*			trans	-51.2	164.9	173.1	60.1	0	0	0	0	114.8
642	P	26.6	Very low	24	Very low	130 Å²	130	145.9 Å²	145.9	84%	0.844	84%	0.836	S	S	*	*				-131.8	166.3	93.3	37.6	-29.3	0	0	0	114.8
643	S	21.5	Very low	23.6	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	84%	0.841	S	S	*	*			trans	-106.1	153.3	178.5	178.5	0	0	0	0	111.2
644	V	24.1	Very low	23.6	Very low	132 Å²	132	151.9 Å²	151.9	80%	0.8	84%	0.842	S	S	*	*			trans	-126	128.9	170.3	179	0	0	0	0	109.3
645	K	22.2	Very low	23.5	Very low	186 Å²	186	152.7 Å²	152.7	81%	0.809	84%	0.842	S	S	*	*			trans	-92.3	144.8	172.1	-63.9	179.8	177.6	-180	0	110.3
646	L	24.6	Very low	23.8	Very low	173 Å²	173	149.4 Å²	149.4	91%	0.906	84%	0.837	S	S	*	*			trans	-134.1	149.9	155.5	-82.5	174.5	0	0	0	109.8
647	T	21.3	Very low	23.8	Very low	121 Å²	121	145.3 Å²	145.3	74%	0.742	83%	0.829	S	S	*	*			trans	-149.3	110.7	-169.5	-50.1	0	0	0	0	110.8
648	V	25.2	Very low	23.6	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	83%	0.825	S	S	*	*			trans	-148.7	104.5	168.2	-179.8	0	0	0	0	104.7
649	S	23.8	Very low	23.6	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	82%	0.824	S	S	*	*				72	133.4	84.1	-54.3	0	0	0	0	113.7
650	A	23.4	Very low	23.6	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	82%	0.817	S	S	*	*			trans	-111.1	160	-170.7	0	0	0	0	0	112.9
651	L	23.8	Very low	23.7	Very low	188 Å²	188	136.8 Å²	136.8	98%	0.984	82%	0.821	S	S	*	*			trans	166.1	149.5	139.4	-91.6	161	0	0	0	110.1
652	G	23.9	Very low	23.7	Very low	78 Å²	78	136.4 Å²	136.4	80%	0.804	82%	0.823	S	S	*	*			trans	146.6	88	174.1	0	0	0	0	0	114
653	R	23.6	Very low	23.5	Very low	246 Å²	246	136.4 Å²	136.4	93%	0.928	82%	0.821	S	S	*	*			trans	-82.8	145.2	158.8	-78.8	179.9	166.9	-167.3	-3.3	108.4
654	E	22.3	Very low	23.6	Very low	197 Å²	197	139.5 Å²	139.5	92%	0.921	82%	0.821	S	S	*	*				-164.9	160.5	122	-112	165.9	-154.8	0	0	111.8
655	A	23.5	Very low	23.6	Very low	87 Å²	87	143.4 Å²	143.4	72%	0.719	82%	0.822	S	S	*	*			trans	-139.6	162.1	172.6	0	0	0	0	0	107.4
656	P	30.6	Very low	23.5	Very low	116 Å²	116	141.8 Å²	141.8	75%	0.753	82%	0.817	S	S	*	*				-147.2	175	113.2	39.6	-25.5	0	0	0	115.2
657	S	23.1	Very low	23.3	Very low	100 Å²	100	140 Å²	140	70%	0.699	82%	0.818	S	S	*	*			trans	14.8	116.2	153.9	56.2	0	0	0	0	118.1
658	A	22.2	Very low	23.4	Very low	99 Å²	99	140.3 Å²	140.3	82%	0.818	82%	0.819	S	S	*	*				60.3	110	54.7	0	0	0	0	0	113.9
659	D	23.2	Very low	23.3	Very low	164 Å²	164	139.2 Å²	139.2	88%	0.877	82%	0.818	S	S	*	*			trans	-148.1	151	153.2	-145.1	-20.4	0	0	0	108.7
660	T	21.8	Very low	23.4	Very low	128 Å²	128	142 Å²	142	79%	0.785	82%	0.823	S	S	*	*			trans	-123.2	118.2	-165.2	52.8	0	0	0	0	113.6
661	T	23.3	Very low	23.4	Very low	144 Å²	144	142.5 Å²	142.5	88%	0.883	82%	0.82	S	S	*	*			trans	-130.7	120.8	163.4	46.9	0	0	0	0	111.1
662	S	22.9	Very low	23.4	Very low	121 Å²	121	139.3 Å²	139.3	85%	0.846	81%	0.814	S	S	*	*			trans	-96	121.2	171.4	175.8	0	0	0	0	109.6
663	T	23.4	Very low	23.5	Very low	130 Å²	130	141.9 Å²	141.9	80%	0.798	81%	0.808	S	S	*	*			trans	-146.4	128.7	157.4	40.9	0	0	0	0	110.5
664	F	22.7	Very low	23.4	Very low	173 Å²	173	136.7 Å²	136.7	76%	0.759	80%	0.799	S	S	*	*			trans	-47.1	157.4	153.7	-108.6	-133.4	0	0	0	111.6
665	W	23.9	Very low	23.6	Very low	215 Å²	215	134.3 Å²	134.3	81%	0.814	80%	0.799	S	S	*	*				-175.9	168.3	113.6	-91.9	114.2	0	0	0	111.5
666	E	21.8	Very low	23.7	Very low	151 Å²	151	136.1 Å²	136.1	71%	0.706	81%	0.806	S	S	*	*			trans	-75.9	149.8	-163.4	-61.9	150.9	142.8	0	0	114.1	T668	E666-T668 PolarHBondContact O-N 3.26Å
667	C	20.6	Very low	23.4	Very low	136 Å²	136	134.4 Å²	134.4	92%	0.919	81%	0.809	S	S	*	*			trans	-80.2	106.5	164.5	-75.1	0	0	0	0	109.9	S669	C667-S669 PolarHBondContact O-N 2.83Å
668	T	22.6	Very low	23.7	Very low	127 Å²	127	139 Å²	139	78%	0.779	82%	0.822	S	S	*	*			trans	-63.1	123	176.2	50.8	0	0	0	0	112.3	E666	E666-T668 PolarHBondContact O-N 3.26Å
669	S	23.3	Very low	23.8	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	82%	0.821	S	S	*	*			trans	-72.1	134.8	162.6	46.9	0	0	0	0	110.2	C667 S671	C667-S669 PolarHBondContact O-N 2.83Å; S669-S671 PolarHBondContact O-N 3.03Å
670	L	25	Very low	23.9	Very low	174 Å²	174	136.2 Å²	136.2	91%	0.911	82%	0.821	S	S	*	*			trans	-77.9	113.9	178.8	-74	170.2	0	0	0	110.7
671	S	24.1	Very low	24.1	Very low	104 Å²	104	136 Å²	136	73%	0.727	83%	0.825	S	S	*	*			trans	-87	158	171.5	54.9	0	0	0	0	111.8	S669	S669-S671 PolarHBondContact O-N 3.03Å
672	S	24.1	Very low	24.3	Very low	121 Å²	121	135 Å²	135	85%	0.846	82%	0.824	S	S	*	*			trans	-113.6	115.2	162.8	-171.6	0	0	0	0	109.5
673	L	24.9	Very low	24.5	Very low	132 Å²	132	133.1 Å²	133.1	69%	0.691	82%	0.824	S	S	*	*			trans	-64	167.2	163.2	-55.9	162.1	0	0	0	109.4
674	D	23	Very low	24.7	Very low	137 Å²	137	133 Å²	133	73%	0.733	83%	0.828	S	S	*	*			cis	-167.9	148.5	-23.4	-106.6	-6.7	0	0	0	107.2
675	T	25.8	Very low	24.9	Very low	148 Å²	148	130 Å²	130	91%	0.908	84%	0.836	S	S	*	*			trans	-145.5	140.3	139.3	52.6	0	0	0	0	109.7
676	S	25.9	Very low	25.1	Very low	124 Å²	124	125.9 Å²	125.9	87%	0.867	84%	0.839	S	S	*	*			trans	-107.9	145.3	-171.5	51.1	0	0	0	0	113
677	G	24.6	Very low	25.3	Very low	80 Å²	80	121.7 Å²	121.7	83%	0.825	84%	0.837	S	S	*	*			trans	-150.1	109.6	174.7	0	0	0	0	0	110.1
678	M	28.1	Very low	25.6	Very low	196 Å²	196	121 Å²	121	97%	0.966	83%	0.834	S	S	*	*			trans	-83.7	143.6	-173.4	-65.8	153.4	58.8	0	0	111.7
679	G	25.2	Very low	25.9	Very low	77 Å²	77	119.7 Å²	119.7	79%	0.794	83%	0.829	S	S	*	*			trans	-179.2	78.9	176.9	0	0	0	0	0	113.9
680	S	25.8	Very low	26	Very low	128 Å²	128	118.5 Å²	118.5	90%	0.895	82%	0.821	S	S	*	*			trans	-86.8	134.2	175.7	-53.4	0	0	0	0	111.9
681	S	25.9	Very low	26.1	Very low	124 Å²	124	116.2 Å²	116.2	87%	0.867	82%	0.815	S	S	*	*			trans	-151.5	143.2	155.3	56.9	0	0	0	0	111.3
682	S	27.6	Very low	26.3	Very low	124 Å²	124	115.6 Å²	115.6	87%	0.867	81%	0.81	S	S	*	*			trans	-101.7	154.7	177.3	49	0	0	0	0	110.8
683	G	26.4	Very low	26.4	Very low	81 Å²	81	114.8 Å²	114.8	84%	0.835	81%	0.805	S	S	*	*			trans	-166.5	94.1	180	0	0	0	0	0	113.1
684	S	26.5	Very low	26.6	Very low	127 Å²	127	113.1 Å²	113.1	89%	0.888	80%	0.804	S	S	*	*			trans	-97.4	131.4	174.2	-51.1	0	0	0	0	110.6
685	A	28.3	Very low	26.8	Very low	111 Å²	111	111.3 Å²	111.3	92%	0.917	80%	0.802	S	S	*	*			trans	-156.3	146.9	165.1	0	0	0	0	0	112.3
686	S	27	Very low	26.9	Very low	127 Å²	127	110.5 Å²	110.5	89%	0.888	80%	0.797	S	S	*	*			trans	-115.2	151.8	-174	53.7	0	0	0	0	113.2
687	G	26.6	Very low	26.9	Very low	63 Å²	63	109.8 Å²	109.8	65%	0.649	79%	0.792	S	S	*	*			trans	158.1	129	161.1	0	0	0	0	0	111.3
688	S	26.8	Very low	27	Very low	122 Å²	122	111.5 Å²	111.5	85%	0.853	79%	0.791	S	S	*	*				63	123	52.5	79.8	0	0	0	0	113.1
689	S	28.3	Very low	26.9	Very low	99 Å²	99	107.4 Å²	107.4	69%	0.692	78%	0.782	S	S	*	*			cis	-166.7	166.4	2.7	54.8	0	0	0	0	113.9
690	S	26.7	Very low	27.1	Very low	89 Å²	89	109.8 Å²	109.8	62%	0.622	78%	0.781	S	S	*	*			trans	66.8	141.4	135.2	61.1	0	0	0	0	123.7
691	T	27.2	Very low	27.6	Very low	126 Å²	126	109.8 Å²	109.8	77%	0.773	78%	0.778	S	S	*	*			trans	64.6	150.1	149.2	47.8	0	0	0	0	120.2
692	S	27.5	Very low	27.7	Very low	91 Å²	91	112 Å²	112	64%	0.636	78%	0.78	S	S	*	*			cis	-176.4	164.8	-28	53.2	0	0	0	0	108.7
693	S	27.3	Very low	27.7	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	78%	0.777	S	S	*	*			trans	58.3	147.9	149.6	50.1	0	0	0	0	120.4
694	S	29	Very low	27.7	Very low	97 Å²	97	111.9 Å²	111.9	68%	0.678	77%	0.771	S	S	*	*			cis	-175.1	138.7	-12.2	47.3	0	0	0	0	112.1
695	S	26.4	Very low	27.7	Very low	100 Å²	100	110.2 Å²	110.2	70%	0.699	76%	0.759	S	S	*	*			trans	64.9	168.8	140	72.3	0	0	0	0	122.2
696	V	28.6	Very low	27.7	Very low	131 Å²	131	116.2 Å²	116.2	79%	0.794	76%	0.758	S	S	*	*			trans	64.5	147.9	168.1	-57.9	0	0	0	0	119.5
697	S	26.1	Very low	27.7	Very low	109 Å²	109	114.1 Å²	114.1	76%	0.762	74%	0.744	S	S	*	*			cis	172.4	173.4	-39.4	-100.2	0	0	0	0	108.5
698	S	26	Very low	27.7	Very low	116 Å²	116	119.8 Å²	119.8	81%	0.811	75%	0.753	S	S	*	*			trans	75	149.9	172.6	81.5	0	0	0	0	116.2
699	S	25.4	Very low	27.8	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	76%	0.755	S	S	*	*			cis	-164	158.7	-21.9	42.9	0	0	0	0	110.1
700	T	30	Very low	27.7	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	76%	0.762	S	S	*	*			trans	-75.8	168.2	171.8	54.2	0	0	0	0	111.9
701	P	36.3	Very low	27.6	Very low	129 Å²	129	130 Å²	130	84%	0.838	76%	0.764	S	S	*	*				-141.7	173.6	99.9	37.1	-22.1	0	0	0	116.3
702	L	27.1	Very low	27.5	Very low	171 Å²	171	130 Å²	130	90%	0.895	76%	0.764	S	S	*	*			trans	-78.9	163.6	-173.5	-56.5	150.4	0	0	0	113.9
703	S	28	Very low	27.3	Very low	116 Å²	116	131 Å²	131	81%	0.811	77%	0.77	S	S	*	*				-177.6	146.9	114.5	-157.1	0	0	0	0	115.9
704	A	27	Very low	27.2	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	77%	0.772	S	S	*	*			trans	0.7	162.5	152.3	0	0	0	0	0	123.7
705	S	26.7	Very low	27.1	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	78%	0.776	S	S	*	*			cis	179.2	172.1	-19.9	63.5	0	0	0	0	111.8
706	R	28.5	Very low	26.9	Very low	236 Å²	236	132.8 Å²	132.8	89%	0.891	78%	0.783	S	S	*	*			trans	72.8	156	158.3	-66.6	169.4	178.8	-174.5	-0.8	119.3
707	S	26.7	Very low	26.7	Very low	84 Å²	84	133.4 Å²	133.4	59%	0.587	78%	0.782	S	S	*	*			cis	-176.4	133.3	-30.2	58.4	0	0	0	0	114.3
708	H	27.1	Very low	26.7	Very low	182 Å²	182	139.6 Å²	139.6	84%	0.843	79%	0.79	S	S	*	*			trans	64.4	164.8	160.9	-49.2	-57	0	0	0	118.2
709	K	27.9	Very low	26.8	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	79%	0.789	S	S	*	*			cis	-142.6	171.1	21.1	-73.6	-179.8	176.4	178.8	0	115.2
710	R	26	Very low	26.9	Very low	224 Å²	224	140.8 Å²	140.8	85%	0.845	79%	0.793	S	S	*	*			trans	-61.1	167.1	165.7	-118.4	177.9	-164.2	-132.1	4.7	112.6
711	S	25.2	Very low	27	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	80%	0.801	S	S	*	*			cis	-155.4	162	34	-67.9	0	0	0	0	109.9
712	V	23.8	Very low	26.6	Very low	126 Å²	126	143 Å²	143	76%	0.764	80%	0.801	S	S	*	*				53.6	132.7	61.9	-172.9	0	0	0	0	113
713	S	24.9	Very low	26.6	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	80%	0.798	S	S	*	*			cis	-114.6	-149.6	8	50.3	0	0	0	0	111.7
714	A	25.5	Very low	26.6	Very low	91 Å²	91	142.5 Å²	142.5	75%	0.752	80%	0.796	S	S	*	*			cis	-155.3	-163.7	11.3	0	0	0	0	0	112.8
715	V	25.3	Very low	26.7	Very low	126 Å²	126	146.9 Å²	146.9	76%	0.764	81%	0.806	S	S	*	*			trans	-135.9	148.9	-175.6	173	0	0	0	0	111.2
716	S	23.8	Very low	26.8	Very low	122 Å²	122	150.5 Å²	150.5	85%	0.853	81%	0.807	S	S	*	*			trans	-154.1	128.6	156.6	-88.8	0	0	0	0	111.4
717	N	24.3	Very low	27	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	80%	0.801	S	S	*	*			trans	-102.4	142.9	170.3	-71.8	-14.7	0	0	0	110.2
718	Y	25.9	Very low	27.3	Very low	239 Å²	239	150.7 Å²	150.7	94%	0.937	81%	0.813	S	S	*	*			trans	-156.1	143.3	152.2	-108.7	-74.4	0	0	0	110.5
719	S	27.2	Very low	28	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	81%	0.813	S	S	*	*			trans	-116.4	125.6	-176.5	-52.7	0	0	0	0	111.3
720	T	27.3	Very low	28.3	Very low	139 Å²	139	145.5 Å²	145.5	85%	0.853	80%	0.799	S	S	*	*			trans	-147.2	146.3	161	39.4	0	0	0	0	110.9
721	L	31.7	Very low	29	Very low	182 Å²	182	141.7 Å²	141.7	95%	0.953	80%	0.796	S	S	*	*			trans	-86.2	133.4	173	-74.6	152.7	0	0	0	110.1
722	S	28.1	Very low	29.9	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	79%	0.787	S	S	*	*			trans	-152.8	156.6	162.9	59.5	0	0	0	0	111.6
723	L	27.2	Very low	30.8	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.8	156.2	-170.7	-75.8	160.2	0	0	0	112.6	L725	L723-L725 PolarHBondContact O-N 3.11Å
724	P	28.1	Very low	31.5	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-69.8	124.7	-169.3	26.9	-35.3	0	0	0	113.5
725	L	30.5	Very low	32.4	Very low	176 Å²	176	136 Å²	136	92%	0.921	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-77.2	136.5	169.2	-71.9	166.8	0	0	0	110.8	L723	L723-L725 PolarHBondContact O-N 3.11Å
726	Y	27.6	Very low	33.2	Very low	170 Å²	170	134.3 Å²	134.3	67%	0.667	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-89.4	145.9	-178.9	-123	-104.9	0	0	0	111.7	R737	Y726-R737 VanDerWaalsContact CZ-NH1 3.34Å; Y726-R737 PolarHBondContact OH-NH1 3.37Å
727	N	32.3	Very low	34	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	71%	0.705	S	S	*	*			trans	51.1	66.6	170.2	-66.1	-7.3	0	0	0	116.4
728	Q	34.6	Very low	35.1	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	69%	0.688	S	S	*	*			trans	-96.2	120.1	157.8	-160.2	170.2	38	0	0	109.7	V730	Q728-V730 HydrophobicContact CG-CG2 4.31Å
729	Q	41.1	Very low	35.9	Very low	179 Å²	179	122.3 Å²	122.3	84%	0.836	67%	0.665	S	S	*	*			trans	-91.3	122.2	179.2	-165.4	170.5	8.5	0	0	108.9
730	V	33.3	Very low	37	Very low	99 Å²	99	120.7 Å²	120.7	60%	0.6	65%	0.647	S	S	*	*			trans	-132	147.3	-178	-173.9	0	0	0	0	108.3	Q728	Q728-V730 HydrophobicContact CG-CG2 4.31Å
731	D	42	Very low	37.5	Very low	145 Å²	145	120.8 Å²	120.8	78%	0.775	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	154	-150.5	-60.9	-67.9	0	0	0	118.1	C733	D731-C733 PolarHBondContact O-N 3.38Å
732	D	44.4	Very low	38.3	Very low	91 Å²	91	116.4 Å²	116.4	49%	0.487	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	53.8	17.1	176.8	-75.8	0.4	0	0	0	116.1	P755 R757	D732-P755 HydrophobicContact CB-CG 4.32Å; D732-P755 WeakPolarHBondContact O-CD 3.31Å; D732-R757 IonicContact OD2-CZ 3.68Å; D732-R757 IonicContact OD2-NE 2.85Å; D732-R757 IonicContact OD2-NH2 2.77Å; D732-R757 PolarHBondContact OD2-NH2 3.46Å
733	C	42.2	Very low	39	Very low	45 Å²	45	120.3 Å²	120.3	30%	0.304	63%	0.628	S	S	.	*			trans	-126.2	138.2	176.2	-59.8	0	0	0	0	112.8	D731 L752 R754	D731-C733 PolarHBondContact O-N 3.38Å; C733-L752 HydrophobicContact CB-CD1 4.24Å; C733-R754 PolarHBondContact SG-NE 3.24Å
734	C	39.2	Very low	40	Very low	64 Å²	64	121 Å²	121	43%	0.432	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123	138.8	170.2	-175	0	0	0	0	110.8	V753	C734-V753 HydrophobicContact CB-CB 4.41Å; C734-V753 PolarHBondContact N-O 2.84Å; C734-V753 PolarHBondContact O-N 2.94Å
735	I	43.8	Very low	40.5	Very low	104 Å²	104	117.2 Å²	117.2	53%	0.533	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	114	174	-58.9	176.2	0	0	0	108.6	R737 I751 L752	I735-R737 HydrophobicContact CG2-CG 4.25Å; I735-I751 WeakPolarHBondContact CA-O 3.27Å; I735-L752 HydrophobicContact CD1-CD1 4.4Å; I735-L752 HydrophobicContact CG1-CD1 3.72Å
736	I	43.2	Very low	41	Very low	89 Å²	89	113.9 Å²	113.9	46%	0.456	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	126	172.3	-58.3	175.4	0	0	0	107.5	S750 I751	I736-S750 CarbonylContact O-C 3.56Å; I736-S750 WeakPolarHBondContact O-CA 3.48Å; I736-I751 PolarHBondContact N-O 3.16Å; I736-I751 PolarHBondContact O-N 3.33Å
737	R	40	Very low	41.6	Very low	119 Å²	119	111.7 Å²	111.7	45%	0.449	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	173	-69.5	-167.2	173	153.4	2.4	110.4	Y726 I735 K749 S750	Y726-R737 VanDerWaalsContact CZ-NH1 3.34Å; Y726-R737 PolarHBondContact OH-NH1 3.37Å; I735-R737 HydrophobicContact CG2-CG 4.25Å; R737-K749 WeakPolarHBondContact CA-O 3.43Å; R737-S750 WeakPolarHBondContact CG-OG 3.44Å; R737-S750 PolarHBondContact NE-OG 3.42Å
738	V	48.3	Very low	42.1	Very low	68 Å²	68	111 Å²	111	41%	0.412	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	118.6	173.2	-176.6	0	0	0	0	107.7	L740 Y748 K749	V738-L740 HydrophobicContact CG1-CD2 4.5Å; V738-Y748 WeakPolarHBondContact O-CA 3.37Å; V738-K749 PolarHBondContact N-O 2.81Å; V738-K749 PolarHBondContact O-N 3.48Å
739	S	41.2	Very low	42.5	Very low	67 Å²	67	108.7 Å²	108.7	47%	0.469	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.6	136.6	168.3	45.9	0	0	0	0	110.1
740	L	50.9	Low	42.4	Very low	77 Å²	77	103.4 Å²	103.4	40%	0.403	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	110	169.7	-62.5	173.1	0	0	0	106.4	V738 V742 M747 K749	V738-L740 HydrophobicContact CG1-CD2 4.5Å; L740-V742 PolarHBondContact O-N 3.31Å; L740-M747 HydrophobicContact CB-CB 4.25Å; L740-M747 PolarHBondContact N-O 2.9Å; L740-M747 PolarHBondContact O-N 3.46Å; L740-K749 HydrophobicContact CD1-CD 4.29Å; L740-K749 HydrophobicContact CD1-CG 4.32Å
741	D	38.5	Very low	43	Very low	141 Å²	141	102 Å²	102	75%	0.754	54%	0.541	S	S	*	.			trans	-72.5	122.1	174.8	-67.7	-22.8	0	0	0	108.6
742	V	48.4	Very low	43	Very low	90 Å²	90	98.8 Å²	98.8	55%	0.545	52%	0.524	S	S	.	.			trans	-130.9	138.3	175.3	-172.2	0	0	0	0	106.3	L740 N744 G745 M747	L740-V742 PolarHBondContact O-N 3.31Å; V742-N744 PolarHBondContact O-N 3.28Å; V742-G745 PolarHBondContact O-N 3.49Å; V742-M747 HydrophobicContact CG2-CG 4.47Å
743	E	42.9	Very low	42.8	Very low	201 Å²	201	97.5 Å²	97.5	94%	0.939	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-0.1	-162.3	-60.4	-174.3	136.2	0	0	116.4
744	N	47.1	Very low	42.7	Very low	174 Å²	174	103.4 Å²	103.4	93%	0.93	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	18.4	171.7	-88.5	-49.1	0	0	0	114.4	V742	V742-N744 PolarHBondContact O-N 3.28Å
745	G	39.3	Very low	42.7	Very low	38 Å²	38	104.5 Å²	104.5	39%	0.392	54%	0.541	S	S	.	.			trans	159.7	149.1	167.9	0	0	0	0	0	116.3	V742 M747	V742-G745 PolarHBondContact O-N 3.49Å; G745-M747 PolarHBondContact O-N 2.93Å
746	N	40.6	Very low	42.4	Very low	107 Å²	107	109.4 Å²	109.4	57%	0.572	56%	0.559	S	S	*	*			trans	-72.2	108	-179.1	-63.9	24.6	0	0	0	111.7	Y748	N746-Y748 HydrophobicContact CB-CD2 4.47Å; N746-Y748 HydrophobicContact CB-CE2 3.64Å; N746-Y748 PolarHBondContact ND2-OH 2.95Å
747	M	39.8	Very low	42.1	Very low	123 Å²	123	115.5 Å²	115.5	61%	0.606	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.9	137.8	170.8	-78.2	-85.1	-85	0	0	110.2	L740 V742 G745	L740-M747 HydrophobicContact CB-CB 4.25Å; L740-M747 PolarHBondContact N-O 2.9Å; L740-M747 PolarHBondContact O-N 3.46Å; V742-M747 HydrophobicContact CG2-CG 4.47Å; G745-M747 PolarHBondContact O-N 2.93Å
748	Y	42.4	Very low	41.9	Very low	131 Å²	131	112.9 Å²	112.9	51%	0.514	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.4	117.8	177.7	-64.3	-87.1	0	0	0	111.2	V738 N746	V738-Y748 WeakPolarHBondContact O-CA 3.37Å; N746-Y748 HydrophobicContact CB-CD2 4.47Å; N746-Y748 HydrophobicContact CB-CE2 3.64Å; N746-Y748 PolarHBondContact ND2-OH 2.95Å
749	K	43.2	Very low	41.5	Very low	131 Å²	131	121.4 Å²	121.4	57%	0.57	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	129.8	166.2	-74.6	-171.1	174.7	-177.2	0	109.6	R737 V738 L740	R737-K749 WeakPolarHBondContact CA-O 3.43Å; V738-K749 PolarHBondContact N-O 2.81Å; V738-K749 PolarHBondContact O-N 3.48Å; L740-K749 HydrophobicContact CD1-CD 4.29Å; L740-K749 HydrophobicContact CD1-CG 4.32Å
750	S	39.3	Very low	41.1	Very low	67 Å²	67	127.3 Å²	127.3	47%	0.469	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	124.8	178.6	-60.7	0	0	0	0	110.3	I736 R737	I736-S750 CarbonylContact O-C 3.56Å; I736-S750 WeakPolarHBondContact O-CA 3.48Å; R737-S750 WeakPolarHBondContact CG-OG 3.44Å; R737-S750 PolarHBondContact NE-OG 3.42Å
751	I	46.1	Very low	40.5	Very low	70 Å²	70	136.1 Å²	136.1	36%	0.359	66%	0.659	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	124.1	177.2	-59.3	169.4	0	0	0	108.4	I735 I736 V753	I735-I751 WeakPolarHBondContact CA-O 3.27Å; I736-I751 PolarHBondContact N-O 3.16Å; I736-I751 PolarHBondContact O-N 3.33Å; I751-V753 HydrophobicContact CG2-CG2 4.29Å
752	L	41.2	Very low	40.2	Very low	78 Å²	78	132.2 Å²	132.2	41%	0.408	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	118.2	178.3	179.5	67.4	0	0	0	110.6	C733 I735	C733-L752 HydrophobicContact CB-CD1 4.24Å; I735-L752 HydrophobicContact CD1-CD1 4.4Å; I735-L752 HydrophobicContact CG1-CD1 3.72Å
753	V	41.4	Very low	39.4	Very low	64 Å²	64	136.4 Å²	136.4	39%	0.388	67%	0.671	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	134.9	-179.2	-175.6	0	0	0	0	110.3	C734 I751	C734-V753 HydrophobicContact CB-CB 4.41Å; C734-V753 PolarHBondContact N-O 2.84Å; C734-V753 PolarHBondContact O-N 2.94Å; I751-V753 HydrophobicContact CG2-CG2 4.29Å
754	R	39.1	Very low	38.8	Very low	169 Å²	169	133 Å²	133	64%	0.638	66%	0.659	S	S	*	*			trans	-138.8	137.7	175.8	-71.2	-174.3	173.1	128.2	-3.4	111.7	C733	C733-R754 PolarHBondContact SG-NE 3.24Å
755	P	40.3	Very low	37.9	Very low	87 Å²	87	132.9 Å²	132.9	57%	0.565	66%	0.657	S	S	*	*			trans	-82.1	133.9	175.5	32.8	-32	0	0	0	111.9	D732	D732-P755 HydrophobicContact CB-CG 4.32Å; D732-P755 WeakPolarHBondContact O-CD 3.31Å
756	K	36.3	Very low	37.4	Very low	207 Å²	207	139.3 Å²	139.3	90%	0.9	68%	0.675	S	S	*	*			trans	-92	107.9	176.5	-168.9	177.6	-175.4	179.2	0	110.4	G758	K756-G758 PolarHBondContact O-N 3.07Å; K756-G758 VanDerWaalsContact O-N 3.09Å
757	R	38.1	Very low	36.9	Very low	216 Å²	216	140.8 Å²	140.8	82%	0.815	68%	0.681	S	S	*	*			trans	-73.4	99.6	176.8	-65.2	-172.1	-169.6	-167.9	4.8	111	D732	D732-R757 IonicContact OD2-CZ 3.68Å; D732-R757 IonicContact OD2-NE 2.85Å; D732-R757 IonicContact OD2-NH2 2.77Å; D732-R757 PolarHBondContact OD2-NH2 3.46Å
758	G	35.3	Very low	36.3	Very low	65 Å²	65	139.6 Å²	139.6	67%	0.67	69%	0.685	S	S	*	*			trans	-128.3	142.3	167	0	0	0	0	0	110.4	K756 E760	K756-G758 PolarHBondContact O-N 3.07Å; K756-G758 VanDerWaalsContact O-N 3.09Å; G758-E760 PolarHBondContact O-N 3.17Å
759	R	39.6	Very low	35.6	Very low	247 Å²	247	137.3 Å²	137.3	93%	0.932	68%	0.684	S	S	*	*			trans	-87.3	106.4	174.8	-73.4	-178.3	179.5	169.1	-0.3	109.9
760	E	33.9	Very low	34.8	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	69%	0.691	S	S	*	*	S	Bend		-174.9	171.4	129.6	-103	164.1	-156.7	0	0	110.8	G758 G762	G758-E760 PolarHBondContact O-N 3.17Å; E760-G762 PolarHBondContact O-N 3.2Å
761	R	38.1	Very low	34.3	Very low	262 Å²	262	141.6 Å²	141.6	99%	0.989	71%	0.705	S	S	*	*	S	Bend	trans	-84.2	103.5	-166.2	-70.5	-178	176	179.2	-1.7	112.5
762	G	32.6	Very low	33.5	Very low	58 Å²	58	151.3 Å²	151.3	60%	0.598	74%	0.744	S	S	*	*			trans	-177	119.7	165.6	0	0	0	0	0	111.8	E760 L764	E760-G762 PolarHBondContact O-N 3.2Å; G762-L764 PolarHBondContact O-N 2.88Å; G762-L764 VanDerWaalsContact O-N 3.08Å
763	N	30.8	Very low	33.1	Very low	178 Å²	178	155 Å²	155	95%	0.952	76%	0.761	S	S	*	*			trans	-79.5	89.8	179.7	-77	-0.6	0	0	0	110.8
764	L	29.9	Very low	32.6	Very low	129 Å²	129	159.7 Å²	159.7	68%	0.675	78%	0.781	S	S	*	*			trans	-116.6	122.2	159.1	-86	85	0	0	0	110.2	G762 F766	G762-L764 PolarHBondContact O-N 2.88Å; G762-L764 VanDerWaalsContact O-N 3.08Å; L764-F766 HydrophobicContact CB-CD2 4.1Å; L764-F766 HydrophobicContact CB-CE2 3.62Å; L764-F766 HydrophobicContact CB-CZ 4.31Å; L764-F766 HydrophobicContact CD2-CE2 4.18Å; L764-F766 HydrophobicContact CD2-CZ 4.02Å; L764-F766 PolarHBondContact O-N 3.34Å
765	L	28.4	Very low	32.3	Very low	172 Å²	172	159.2 Å²	159.2	90%	0.901	79%	0.789	S	S	*	*			trans	-79.6	104.4	169.2	-87.1	152.8	0	0	0	109.1
766	F	29.2	Very low	31.8	Very low	174 Å²	174	163.5 Å²	163.5	76%	0.763	80%	0.802	S	S	*	*			trans	-89	111.9	170.5	-74.3	-86.7	0	0	0	110	L764	L764-F766 HydrophobicContact CB-CD2 4.1Å; L764-F766 HydrophobicContact CB-CE2 3.62Å; L764-F766 HydrophobicContact CB-CZ 4.31Å; L764-F766 HydrophobicContact CD2-CE2 4.18Å; L764-F766 HydrophobicContact CD2-CZ 4.02Å; L764-F766 PolarHBondContact O-N 3.34Å
767	I	29.4	Very low	31.5	Very low	138 Å²	138	160.8 Å²	160.8	71%	0.708	80%	0.796	S	S	*	*			trans	-85.6	130.2	171.7	-59.1	171.9	0	0	0	107.9	V769	I767-V769 HydrophobicContact CG2-CG2 3.94Å
768	S	26.8	Very low	31.1	Very low	97 Å²	97	157.1 Å²	157.1	68%	0.678	79%	0.794	S	S	*	*			trans	-119.2	105.4	172.2	-169.6	0	0	0	0	108.1
769	V	28.2	Very low	30.8	Very low	83 Å²	83	163.6 Å²	163.6	50%	0.503	80%	0.803	S	S	.	*			trans	-84.8	121.8	-179.5	-175.9	0	0	0	0	108.6	I767 F771	I767-V769 HydrophobicContact CG2-CG2 3.94Å; V769-F771 HydrophobicContact CG1-CD1 4.46Å; V769-F771 HydrophobicContact CG1-CD2 4.08Å; V769-F771 HydrophobicContact CG1-CE1 4.12Å; V769-F771 HydrophobicContact CG1-CE2 3.71Å; V769-F771 HydrophobicContact CG1-CG 4.45Å; V769-F771 HydrophobicContact CG1-CZ 3.73Å
770	V	26.8	Very low	30.1	Very low	118 Å²	118	157.2 Å²	157.2	72%	0.715	79%	0.793	S	S	*	*			trans	-109.3	107.1	169.7	-179.3	0	0	0	0	107.3
771	F	28.3	Very low	29.8	Very low	171 Å²	171	154.4 Å²	154.4	75%	0.75	79%	0.785	S	S	*	*			trans	-73.2	142.1	167.4	-64.8	-76.9	0	0	0	109.7	V769	V769-F771 HydrophobicContact CG1-CD1 4.46Å; V769-F771 HydrophobicContact CG1-CD2 4.08Å; V769-F771 HydrophobicContact CG1-CE1 4.12Å; V769-F771 HydrophobicContact CG1-CE2 3.71Å; V769-F771 HydrophobicContact CG1-CG 4.45Å; V769-F771 HydrophobicContact CG1-CZ 3.73Å
772	K	28.9	Very low	29	Very low	273 Å²	273	144.6 Å²	144.6	100%	1.187	77%	0.766	S	S	*	*			trans	-157.5	0	177.1	-142.6	-167.2	-176.4	-164.5	0	110.4

Retrieved 772 of 772 residues in 113.1 ms (Link to these results)

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