A0A087Y6T0_POEFO Loading...

Eukaryotic translation initiation factor 2-alpha kinase 1

AlphaFold DB , UniProt , Accession A0A087Y6T0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	32.7	Very low	236 Å²	236	139 Å²	139	100%	1.163	78%	0.78	S	S	*	*				0	145.6	0	-73.6	174.9	174	0	0	108.3
2	Y	31.2	Very low	32.3	Very low	215 Å²	215	145.4 Å²	145.4	84%	0.843	78%	0.783	S	S	*	*			trans	30.7	116.3	161.5	-69.7	-76.2	0	0	0	121.5
3	S	31	Very low	31.9	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	78%	0.78	S	S	*	*				68.8	148.8	125.3	66.4	0	0	0	0	120.6
4	S	31.7	Very low	31.5	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	79%	0.789	S	S	*	*			cis	-162.8	167.9	-4.8	32.5	0	0	0	0	112.3
5	T	31	Very low	31.2	Very low	128 Å²	128	148.7 Å²	148.7	79%	0.785	79%	0.794	S	S	*	*			trans	-68.6	176.1	171.5	43.3	0	0	0	0	115.4
6	P	59.2	Low	30.8	Very low	103 Å²	103	146.5 Å²	146.5	67%	0.669	79%	0.793	S	S	*	*			cis	-141.4	-136	-32.3	39.4	-17.5	0	0	0	111.9
7	D	30	Very low	30.5	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	79%	0.794	S	S	*	*			trans	77.2	155.5	159.9	-79.9	-6.2	0	0	0	120.2
8	N	30	Very low	30.3	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	80%	0.798	S	S	*	*			cis	-174.2	169.2	-43.4	-128.2	-45.8	0	0	0	109.8
9	G	28.5	Very low	30	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	80%	0.801	S	S	*	*			trans	95.1	108.9	164.8	0	0	0	0	0	115.2
10	L	27.5	Very low	29.8	Very low	145 Å²	145	137.8 Å²	137.8	76%	0.759	80%	0.797	S	S	*	*				92.2	113.1	52.7	-91.4	75.3	0	0	0	115.8
11	M	26.1	Very low	29.7	Very low	148 Å²	148	135.7 Å²	135.7	73%	0.729	79%	0.791	S	S	*	*				84.6	130.3	129.6	-68.3	-69.5	160.8	0	0	123.2
12	R	26.9	Very low	29.2	Very low	216 Å²	216	131.5 Å²	131.5	82%	0.815	77%	0.773	S	S	*	*			trans	66.6	123	140.9	-71.9	179.2	176.2	-155.2	-4.8	118.4
13	S	27.1	Very low	28.9	Very low	106 Å²	106	128.4 Å²	128.4	74%	0.741	77%	0.77	S	S	*	*				84.8	122.8	55.9	-64.4	0	0	0	0	113
14	E	27.2	Very low	28.6	Very low	195 Å²	195	131 Å²	131	91%	0.911	78%	0.775	S	S	*	*				-171.1	-179.5	117.5	-103.3	170.9	-161.6	0	0	111.6
15	E	26.8	Very low	28.3	Very low	184 Å²	184	132.5 Å²	132.5	86%	0.86	78%	0.779	S	S	*	*			trans	-117.4	-163.3	-157.9	-53.3	179.6	114.8	0	0	114
16	C	25.2	Very low	28	Very low	114 Å²	114	134.6 Å²	134.6	77%	0.77	78%	0.78	S	S	*	*			trans	74.1	123.4	173.9	-66.4	0	0	0	0	116.4
17	S	25.8	Very low	26.5	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	79%	0.792	S	S	*	*			cis	88.7	130.4	39.2	89.2	0	0	0	0	114.2
18	G	25.5	Very low	26.2	Very low	84 Å²	84	142.6 Å²	142.6	87%	0.866	80%	0.798	S	S	*	*			trans	168.8	99	-176	0	0	0	0	0	113
19	S	25.2	Very low	26	Very low	121 Å²	121	144.3 Å²	144.3	85%	0.846	81%	0.807	S	S	*	*			trans	-86.2	167.8	-168.9	-169.6	0	0	0	0	115.3
20	A	26.4	Very low	25.9	Very low	88 Å²	88	152.7 Å²	152.7	73%	0.727	82%	0.819	S	S	*	*			trans	72	147	152.6	0	0	0	0	0	119.1
21	S	26.5	Very low	25.7	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	82%	0.82	S	S	*	*			cis	-172.9	162.1	-6.2	49.7	0	0	0	0	114.1
22	N	24.6	Very low	25.6	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	82%	0.819	S	S	*	*			trans	78.1	148.4	140.7	-74.4	-16.8	0	0	0	124.6
23	L	24.9	Very low	25.5	Very low	151 Å²	151	149.2 Å²	149.2	79%	0.791	82%	0.817	S	S	*	*			trans	84.5	90.8	153.5	-72.3	156.2	0	0	0	121.9
24	L	24.2	Very low	25.3	Very low	159 Å²	159	153.2 Å²	153.2	83%	0.832	82%	0.816	S	S	*	*				26	130.8	120.8	-71	165.2	0	0	0	120.7
25	V	26.1	Very low	25.2	Very low	145 Å²	145	151 Å²	151	88%	0.879	81%	0.806	S	S	*	*				-163.9	147.2	126.2	132.9	0	0	0	0	111.9
26	H	25.1	Very low	25.1	Very low	173 Å²	173	151 Å²	151	80%	0.801	81%	0.806	S	S	*	*			trans	-73.4	149	174.4	-81.3	-78.8	0	0	0	113.8
27	R	26.4	Very low	25.1	Very low	248 Å²	248	152.1 Å²	152.1	94%	0.936	81%	0.809	S	S	*	*				-171.4	145	111.4	-106.7	168.5	175.6	157	-0.5	115.1
28	N	24.7	Very low	25.1	Very low	154 Å²	154	156.1 Å²	156.1	82%	0.824	81%	0.814	S	S	*	*			trans	-76.2	150	163.8	-79.9	-49.8	0	0	0	111.2
29	L	26.1	Very low	25.1	Very low	177 Å²	177	157.6 Å²	157.6	93%	0.927	81%	0.812	S	S	*	*			trans	-162	143.5	146.4	-109.2	159.9	0	0	0	110.9
30	R	25.4	Very low	25.1	Very low	239 Å²	239	157.6 Å²	157.6	90%	0.902	81%	0.812	S	S	*	*			trans	-104.8	133.9	178.7	-78.5	178.5	168.2	175.7	-4.9	111.1
31	S	24.2	Very low	25.1	Very low	112 Å²	112	161.3 Å²	161.3	78%	0.783	82%	0.817	S	S	*	*			trans	-162.9	111.6	158.5	-171.6	0	0	0	0	107.2
32	V	24.1	Very low	25	Very low	119 Å²	119	162.6 Å²	162.6	72%	0.721	83%	0.827	S	S	*	*				78.3	103.3	54.2	-176.1	0	0	0	0	113.9
33	R	23.6	Very low	25	Very low	205 Å²	205	162.9 Å²	162.9	77%	0.774	83%	0.827	S	S	*	*			trans	77.2	118.9	156.8	-79.8	-176.7	169.8	177.7	-1.5	122.1
34	R	23.2	Very low	25	Very low	190 Å²	190	163.9 Å²	163.9	72%	0.717	83%	0.832	S	S	*	*				96.6	120.2	124.8	-81.1	-178.6	167.6	-178.5	-5	121.3
35	Q	25.2	Very low	24.9	Very low	148 Å²	148	162 Å²	162	69%	0.692	83%	0.833	S	S	*	*			trans	57.4	102.4	132.1	-63.2	174	-93.2	0	0	119.6
36	Q	24.5	Very low	24.8	Very low	183 Å²	183	163.1 Å²	163.1	86%	0.855	83%	0.833	S	S	*	*				-170.2	131	101.7	-92.2	165.9	-80.3	0	0	105.9
37	V	26.5	Very low	24.8	Very low	138 Å²	138	159.8 Å²	159.8	84%	0.836	84%	0.835	S	S	*	*				56.7	85.7	65.9	-173.2	0	0	0	0	111.8
38	E	24.9	Very low	24.7	Very low	202 Å²	202	153.2 Å²	153.2	94%	0.944	83%	0.827	S	S	*	*			trans	-146.5	148.4	150.5	-140.2	166.2	-129.3	0	0	108.9
39	S	25	Very low	25	Very low	116 Å²	116	154.4 Å²	154.4	81%	0.811	83%	0.828	S	S	*	*			trans	-130.4	113.3	-165.5	59.1	0	0	0	0	112.1
40	S	25.7	Very low	25.1	Very low	121 Å²	121	155 Å²	155	85%	0.846	83%	0.826	S	S	*	*			trans	-130.5	106.5	175	54.8	0	0	0	0	110.3
41	I	27	Very low	25.6	Very low	165 Å²	165	151.8 Å²	151.8	85%	0.846	83%	0.826	S	S	*	*			trans	-82.1	131	175.4	-62.5	170	0	0	0	108.8
42	S	23.1	Very low	25.9	Very low	122 Å²	122	155.1 Å²	155.1	85%	0.853	83%	0.83	S	S	*	*			trans	-145.7	146.8	157.1	-142.9	0	0	0	0	109.7
43	L	25.1	Very low	26.2	Very low	153 Å²	153	157.4 Å²	157.4	80%	0.801	84%	0.838	S	S	*	*			trans	-106.9	160.7	-172.3	-86.6	162.8	0	0	0	111.8
44	L	24.7	Very low	26.5	Very low	172 Å²	172	153 Å²	153	90%	0.901	83%	0.834	S	S	*	*			trans	76.4	98.9	172	-53.7	169.5	0	0	0	116.7
45	S	22.2	Very low	26.6	Very low	120 Å²	120	152.9 Å²	152.9	84%	0.839	84%	0.841	S	S	*	*				-151	162.1	128.8	-160.1	0	0	0	0	112
46	L	24.3	Very low	26.6	Very low	169 Å²	169	154 Å²	154	89%	0.885	84%	0.844	S	S	*	*			trans	-61.8	166.3	-165	-66.2	156.8	0	0	0	116.8
47	A	25.6	Very low	26.7	Very low	103 Å²	103	151.9 Å²	151.9	85%	0.851	84%	0.838	S	S	*	*			trans	-70	147.3	178.1	0	0	0	0	0	115.1
48	S	24.4	Very low	27.1	Very low	109 Å²	109	151.1 Å²	151.1	76%	0.762	83%	0.834	S	S	*	*			trans	-156.8	137	141.5	55.3	0	0	0	0	110.3
49	E	30.6	Very low	27.4	Very low	179 Å²	179	145.8 Å²	145.8	84%	0.836	82%	0.819	S	S	*	*			trans	18.1	129.4	144.9	-56.6	172.1	166.1	0	0	119.8
50	E	27.9	Very low	28.1	Very low	190 Å²	190	148.3 Å²	148.3	89%	0.888	82%	0.824	S	S	*	*				179.2	155.4	103	-92.1	178.5	174.6	0	0	110.6
51	D	36.9	Very low	28.4	Very low	171 Å²	171	147.5 Å²	147.5	91%	0.914	82%	0.818	S	S	*	*			trans	-85.5	129.7	175.7	-75.4	-63.8	0	0	0	110.8
52	E	29.9	Very low	29.1	Very low	183 Å²	183	150 Å²	150	86%	0.855	83%	0.826	S	S	*	*			trans	-112.9	118.6	162	-77.4	-153.4	147.5	0	0	111.1	V54	E52-V54 PolarHBondContact O-N 2.91Å; E52-V54 VanDerWaalsContact O-N 3.13Å
53	D	29.6	Very low	29.8	Very low	167 Å²	167	147 Å²	147	89%	0.893	81%	0.814	S	S	*	*			trans	-62.4	107.4	169.9	-86.9	-52.6	0	0	0	110.4	Q55	D53-Q55 VanDerWaalsContact C-N 3.27Å; D53-Q55 PolarHBondContact O-N 2.84Å
54	V	30.1	Very low	30.6	Very low	112 Å²	112	145.6 Å²	145.6	68%	0.679	81%	0.808	S	S	*	*			trans	-75.8	81.5	177.3	-166.5	0	0	0	0	110.2	E52 F56	E52-V54 PolarHBondContact O-N 2.91Å; E52-V54 VanDerWaalsContact O-N 3.13Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 HydrophobicContact CB-CD2 4.38Å; V54-F56 HydrophobicContact CB-CE2 4.19Å; V54-F56 HydrophobicContact CG1-CD2 3.7Å; V54-F56 HydrophobicContact CG1-CE2 3.35Å; V54-F56 HydrophobicContact CG1-CZ 3.9Å; V54-F56 PolarHBondContact O-N 2.8Å
55	Q	25.4	Very low	31.4	Very low	187 Å²	187	142 Å²	142	87%	0.874	80%	0.796	S	S	*	*			trans	-66.9	86.6	174.1	-172.7	179	1.3	0	0	110.6	D53 D57	D53-Q55 VanDerWaalsContact C-N 3.27Å; D53-Q55 PolarHBondContact O-N 2.84Å; Q55-D57 PolarHBondContact O-N 2.99Å
56	F	26.4	Very low	32.5	Very low	172 Å²	172	141.8 Å²	141.8	75%	0.754	78%	0.782	S	S	*	*			trans	-69.7	115.7	171.2	-83.7	-77.9	0	0	0	110.9	V54 T58	V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 HydrophobicContact CB-CD2 4.38Å; V54-F56 HydrophobicContact CB-CE2 4.19Å; V54-F56 HydrophobicContact CG1-CD2 3.7Å; V54-F56 HydrophobicContact CG1-CE2 3.35Å; V54-F56 HydrophobicContact CG1-CZ 3.9Å; V54-F56 PolarHBondContact O-N 2.8Å; F56-T58 PolarHBondContact O-N 3.31Å
57	D	25.2	Very low	34	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	75%	0.75	S	S	*	*			trans	-68.2	110.9	170	-171.8	-5.8	0	0	0	109.9	Q55 S59	Q55-D57 PolarHBondContact O-N 2.99Å; D57-S59 VanDerWaalsContact C-N 3.33Å; D57-S59 PolarHBondContact O-N 3.44Å; D57-S59 PolarHBondContact OD1-N 2.78Å
58	T	35.5	Very low	35.6	Very low	122 Å²	122	136.2 Å²	136.2	75%	0.748	74%	0.738	S	S	*	*			trans	-95.2	56.3	178.5	61	0	0	0	0	111.4	F56 D60	F56-T58 PolarHBondContact O-N 3.31Å; T58-D60 VanDerWaalsContact C-N 3.34Å; T58-D60 PolarHBondContact O-N 2.68Å; T58-D60 VanDerWaalsContact O-N 3.14Å
59	S	30.9	Very low	37.5	Very low	90 Å²	90	131.5 Å²	131.5	63%	0.629	70%	0.704	S	S	*	*			trans	-80.2	79.1	168.8	70.3	0	0	0	0	110.5	D57 S61	D57-S59 VanDerWaalsContact C-N 3.33Å; D57-S59 PolarHBondContact O-N 3.44Å; D57-S59 PolarHBondContact OD1-N 2.78Å; S59-S61 PolarHBondContact O-N 3.31Å
60	D	39.5	Very low	39.1	Very low	169 Å²	169	123.5 Å²	123.5	90%	0.904	67%	0.668	S	S	*	*			trans	-57.9	127.4	172.4	-85.5	-38.3	0	0	0	110.4	T58	T58-D60 VanDerWaalsContact C-N 3.34Å; T58-D60 PolarHBondContact O-N 2.68Å; T58-D60 VanDerWaalsContact O-N 3.14Å
61	S	32.4	Very low	40.7	Very low	105 Å²	105	116.6 Å²	116.6	73%	0.734	65%	0.648	S	S	*	*			trans	-125.9	138.8	169	59.1	0	0	0	0	109.1	S59 G63	S59-S61 PolarHBondContact O-N 3.31Å; S61-G63 VanDerWaalsContact C-N 3.29Å; S61-G63 PolarHBondContact O-N 3.39Å
62	E	42.4	Very low	42.3	Very low	217 Å²	217	116.5 Å²	116.5	100%	1.014	64%	0.635	S	S	*	*	S	Bend	trans	-71.1	83.8	-176.9	-64.9	-174.7	128.6	0	0	110.9
63	G	37.2	Very low	44.3	Very low	58 Å²	58	113.4 Å²	113.4	60%	0.598	62%	0.62	S	S	*	*	S	Bend	trans	-147.7	158	178.7	0	0	0	0	0	111	S61 C65	S61-G63 VanDerWaalsContact C-N 3.29Å; S61-G63 PolarHBondContact O-N 3.39Å; G63-C65 PolarHBondContact O-N 3.35Å
64	N	41.7	Very low	46.1	Very low	125 Å²	125	106.9 Å²	106.9	67%	0.668	58%	0.583	S	S	*	*			trans	-42.1	128	-174.2	-63.9	-31.5	0	0	0	113.1	E66	N64-E66 PolarHBondContact O-N 3.14Å
65	C	42	Very low	47.1	Very low	97 Å²	97	104.9 Å²	104.9	66%	0.655	57%	0.573	S	S	*	*			trans	-71.3	80.7	174.1	-173.7	0	0	0	0	109.7	G63 L67	G63-C65 PolarHBondContact O-N 3.35Å; C65-L67 PolarHBondContact O-N 3.05Å
66	E	44.7	Very low	48.7	Very low	115 Å²	115	97.8 Å²	97.8	54%	0.537	54%	0.544	S	S	.	.			trans	-65	112	180	-68	-168.6	-176.1	0	0	110.3	N64 H73	N64-E66 PolarHBondContact O-N 3.14Å; E66-H73 IonicContact OE2-CE1 3.46Å; E66-H73 IonicContact OE2-CG 3.77Å; E66-H73 IonicContact OE2-ND1 2.68Å; E66-H73 PolarHBondContact OE2-ND1 3.35Å
67	L	55.5	Low	49.7	Very low	42 Å²	42	92.7 Å²	92.7	22%	0.22	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	174.3	-68.4	-178.3	0	0	0	110.5	C65 Y74 I77 F80	C65-L67 PolarHBondContact O-N 3.05Å; L67-Y74 PolarHBondContact N-O 3.39Å; L67-Y74 WeakPolarHBondContact O-CB 3.44Å; L67-Y74 WeakPolarHBondContact O-CD2 3.39Å; L67-Y74 PolarHBondContact O-N 2.73Å; L67-I77 HydrophobicContact CD1-CB 4.36Å; L67-I77 HydrophobicContact CD1-CD1 3.68Å; L67-I77 HydrophobicContact CD1-CG1 3.67Å; L67-F80 HydrophobicContact CB-CB 4.26Å; L67-F80 HydrophobicContact CB-CD2 3.38Å; L67-F80 HydrophobicContact CB-CE2 3.79Å; L67-F80 HydrophobicContact CB-CG 3.93Å; L67-F80 HydrophobicContact CD1-CB 3.93Å; L67-F80 HydrophobicContact CD1-CD1 3.67Å; L67-F80 HydrophobicContact CD1-CD2 3.77Å; L67-F80 HydrophobicContact CD1-CE1 4.03Å; L67-F80 HydrophobicContact CD1-CE2 4.09Å; L67-F80 HydrophobicContact CD1-CG 3.52Å; L67-F80 HydrophobicContact CD1-CZ 4.22Å; L67-F80 HydrophobicContact CG-CD2 4.24Å; L67-F80 HydrophobicContact CG-CG 4.41Å
68	L	58.9	Low	50.9	Low	113 Å²	113	92.9 Å²	92.9	59%	0.592	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	128.1	175.8	-74.9	167.6	0	0	0	111	R72	L68-R72 WeakPolarHBondContact CA-O 3.25Å
69	M	64.7	Low	51.9	Low	10 Å²	10	91.2 Å²	91.2	5%	0.049	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	126.8	164.8	-164.8	-176.8	-49.1	0	0	109.7	G71 R72 Y74 F80 I84 H87 S126 L128	M69-G71 VanDerWaalsContact C-N 3.34Å; M69-G71 PolarHBondContact O-N 3.29Å; M69-R72 PolarHBondContact N-O 3.36Å; M69-R72 PolarHBondContact O-N 3.37Å; M69-Y74 HydrophobicContact CB-CD2 4.35Å; M69-Y74 HydrophobicContact CB-CE2 3.86Å; M69-F80 HydrophobicContact CB-CD2 4.3Å; M69-F80 HydrophobicContact CB-CE2 4.01Å; M69-F80 HydrophobicContact CE-CD1 4.27Å; M69-F80 HydrophobicContact CE-CD2 3.66Å; M69-F80 HydrophobicContact CE-CE1 3.9Å; M69-F80 HydrophobicContact CE-CE2 3.26Å; M69-F80 HydrophobicContact CE-CG 4.17Å; M69-F80 HydrophobicContact CE-CZ 3.39Å; M69-I84 HydrophobicContact CE-CG1 3.77Å; M69-H87 PolarHBondContact SD-CD2 3.37Å; M69-S126 VanDerWaalsContact CG-OG 3.28Å; M69-S126 WeakPolarHBondContact CG-OG 3.31Å; M69-S126 VanDerWaalsContact SD-CB 3.52Å; M69-S126 PolarHBondContact SD-OG 3.48Å; M69-L128 HydrophobicContact CE-CD1 4.09Å; M69-L128 HydrophobicContact SD-CD1 4.44Å
70	A	64.5	Low	53.2	Low	11 Å²	11	89.1 Å²	89.1	9%	0.091	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	55	-179.2	0	0	0	0	0	112.3	R72 N123	A70-R72 PolarHBondContact O-N 2.89Å; A70-N123 CarbonylContact C-O 3.59Å
71	G	62.3	Low	53.9	Low	45 Å²	45	83.2 Å²	83.2	46%	0.464	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	0.2	179.8	0	0	0	0	0	116.6	M69 N123	M69-G71 VanDerWaalsContact C-N 3.34Å; M69-G71 PolarHBondContact O-N 3.29Å; G71-N123 PolarHBondContact N-OD1 3.3Å
72	R	69.4	Low	55.5	Low	169 Å²	169	81.6 Å²	81.6	64%	0.638	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.1	176.2	-64.3	-175.5	-179.7	-142.7	0.2	110.5	L68 M69 A70 Y74	L68-R72 WeakPolarHBondContact CA-O 3.25Å; M69-R72 PolarHBondContact N-O 3.36Å; M69-R72 PolarHBondContact O-N 3.37Å; A70-R72 PolarHBondContact O-N 2.89Å; R72-Y74 HydrophobicContact CB-CD2 4.38Å; R72-Y74 HydrophobicContact CB-CE2 3.66Å; R72-Y74 WeakPolarHBondContact O-CD2 3.34Å
73	H	71.9	Confident	56.7	Low	118 Å²	118	71.6 Å²	71.6	55%	0.546	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.2	166.2	-64.4	-118.3	0	0	0	108.6	E66	E66-H73 IonicContact OE2-CE1 3.46Å; E66-H73 IonicContact OE2-CG 3.77Å; E66-H73 IonicContact OE2-ND1 2.68Å; E66-H73 PolarHBondContact OE2-ND1 3.35Å
74	Y	68.5	Low	58.2	Low	29 Å²	29	71 Å²	71	11%	0.114	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.5	173.1	-69.9	-88.6	0	0	0	108.4	L67 M69 R72 S76 E79 F80 A83	L67-Y74 PolarHBondContact N-O 3.39Å; L67-Y74 WeakPolarHBondContact O-CB 3.44Å; L67-Y74 WeakPolarHBondContact O-CD2 3.39Å; L67-Y74 PolarHBondContact O-N 2.73Å; M69-Y74 HydrophobicContact CB-CD2 4.35Å; M69-Y74 HydrophobicContact CB-CE2 3.86Å; R72-Y74 HydrophobicContact CB-CD2 4.38Å; R72-Y74 HydrophobicContact CB-CE2 3.66Å; R72-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y74-S76 PolarHBondContact O-N 2.88Å; Y74-E79 HydrophobicContact CD1-CB 3.92Å; Y74-F80 HydrophobicContact CD1-CB 4.47Å; Y74-F80 HydrophobicContact CD2-CD2 4.17Å; Y74-F80 HydrophobicContact CG-CB 4.04Å; Y74-F80 HydrophobicContact CG-CD2 4.46Å; Y74-A83 HydrophobicContact CE1-CB 3.64Å; Y74-A83 WeakPolarHBondContact OH-CB 3.39Å
75	P	49.6	Very low	59.7	Low	70 Å²	70	68.3 Å²	68.3	46%	0.455	37%	0.373	S	S	.	.	S	Bend	trans	-71.1	-15.7	-176.6	30.3	-36.3	0	0	0	112.6	E79	P75-E79 WeakPolarHBondContact CD-OE2 3.38Å; P75-E79 WeakPolarHBondContact CG-OE2 3.46Å
76	S	58.9	Low	61.3	Low	38 Å²	38	68.8 Å²	68.8	27%	0.266	37%	0.369	S	S	.	.	S	Bend	trans	-132	147.2	171.7	80.2	0	0	0	0	112.7	Y74 Q78 E79 F80	Y74-S76 PolarHBondContact O-N 2.88Å; S76-Q78 PolarHBondContact O-N 3.29Å; S76-E79 WeakPolarHBondContact CB-OE1 3.44Å; S76-E79 PolarHBondContact O-N 3.36Å; S76-E79 VanDerWaalsContact OG-CD 3.28Å; S76-E79 WeakPolarHBondContact OG-CG 3.2Å; S76-E79 PolarHBondContact OG-N 3.09Å; S76-E79 VanDerWaalsContact OG-N 3.17Å; S76-E79 PolarHBondContact OG-OE1 3.13Å; S76-F80 PolarHBondContact O-N 2.83Å; S76-F80 VanDerWaalsContact O-N 3.09Å
77	I	48	Very low	63	Low	66 Å²	66	64.4 Å²	64.4	34%	0.338	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-19.9	175.8	-155.2	139.9	0	0	0	112.7	L67 A81 K229	L67-I77 HydrophobicContact CD1-CB 4.36Å; L67-I77 HydrophobicContact CD1-CD1 3.68Å; L67-I77 HydrophobicContact CD1-CG1 3.67Å; I77-A81 WeakPolarHBondContact O-CB 3.32Å; I77-A81 PolarHBondContact O-N 2.75Å; I77-K229 VanDerWaalsContact CD1-CE 3.48Å; I77-K229 HydrophobicContact CG2-CD 4Å
78	Q	50.9	Low	64.1	Low	142 Å²	142	62.8 Å²	62.8	66%	0.664	34%	0.34	S	S	*	.	H	α-helix	trans	-74.4	-43.2	175.3	-176.4	64.1	16.8	0	0	110.9	S76 A81 S82	S76-Q78 PolarHBondContact O-N 3.29Å; Q78-A81 PolarHBondContact O-N 3.19Å; Q78-S82 WeakPolarHBondContact O-CB 3.36Å; Q78-S82 PolarHBondContact O-N 3.47Å
79	E	56	Low	65	Low	87 Å²	87	60.2 Å²	60.2	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-43.2	173.7	-71.4	157.1	-112	0	0	111.2	Y74 P75 S76 A81 S82 A83	Y74-E79 HydrophobicContact CD1-CB 3.92Å; P75-E79 WeakPolarHBondContact CD-OE2 3.38Å; P75-E79 WeakPolarHBondContact CG-OE2 3.46Å; S76-E79 WeakPolarHBondContact CB-OE1 3.44Å; S76-E79 PolarHBondContact O-N 3.36Å; S76-E79 VanDerWaalsContact OG-CD 3.28Å; S76-E79 WeakPolarHBondContact OG-CG 3.2Å; S76-E79 PolarHBondContact OG-N 3.09Å; S76-E79 VanDerWaalsContact OG-N 3.17Å; S76-E79 PolarHBondContact OG-OE1 3.13Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.24Å; E79-S82 WeakPolarHBondContact CA-OG 3.45Å; E79-S82 WeakPolarHBondContact O-CB 3.26Å; E79-S82 PolarHBondContact O-N 3.23Å; E79-S82 VanDerWaalsContact O-N 3.12Å; E79-S82 PolarHBondContact O-OG 3.46Å; E79-A83 PolarHBondContact O-N 3.37Å
80	F	59	Low	65.8	Low	45 Å²	45	64 Å²	64	20%	0.197	35%	0.347	C	S	.	.	H	α-helix	trans	-54.7	-47.7	172.2	175.9	-89.4	0	0	0	111.8	L67 M69 Y74 S76 S82 A83 I84	L67-F80 HydrophobicContact CB-CB 4.26Å; L67-F80 HydrophobicContact CB-CD2 3.38Å; L67-F80 HydrophobicContact CB-CE2 3.79Å; L67-F80 HydrophobicContact CB-CG 3.93Å; L67-F80 HydrophobicContact CD1-CB 3.93Å; L67-F80 HydrophobicContact CD1-CD1 3.67Å; L67-F80 HydrophobicContact CD1-CD2 3.77Å; L67-F80 HydrophobicContact CD1-CE1 4.03Å; L67-F80 HydrophobicContact CD1-CE2 4.09Å; L67-F80 HydrophobicContact CD1-CG 3.52Å; L67-F80 HydrophobicContact CD1-CZ 4.22Å; L67-F80 HydrophobicContact CG-CD2 4.24Å; L67-F80 HydrophobicContact CG-CG 4.41Å; M69-F80 HydrophobicContact CB-CD2 4.3Å; M69-F80 HydrophobicContact CB-CE2 4.01Å; M69-F80 HydrophobicContact CE-CD1 4.27Å; M69-F80 HydrophobicContact CE-CD2 3.66Å; M69-F80 HydrophobicContact CE-CE1 3.9Å; M69-F80 HydrophobicContact CE-CE2 3.26Å; M69-F80 HydrophobicContact CE-CG 4.17Å; M69-F80 HydrophobicContact CE-CZ 3.39Å; Y74-F80 HydrophobicContact CD1-CB 4.47Å; Y74-F80 HydrophobicContact CD2-CD2 4.17Å; Y74-F80 HydrophobicContact CG-CB 4.04Å; Y74-F80 HydrophobicContact CG-CD2 4.46Å; S76-F80 PolarHBondContact O-N 2.83Å; S76-F80 VanDerWaalsContact O-N 3.09Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.02Å; F80-A83 WeakPolarHBondContact O-CB 3.39Å; F80-A83 PolarHBondContact O-N 3.43Å; F80-I84 HydrophobicContact CD1-CD1 4.45Å; F80-I84 HydrophobicContact CE1-CD1 4.17Å; F80-I84 PolarHBondContact O-N 3.09Å
81	A	52.8	Low	66.7	Low	46 Å²	46	63.5 Å²	63.5	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-38.4	176.6	0	0	0	0	0	112.3	I77 Q78 E79 A83 I84 P85	I77-A81 WeakPolarHBondContact O-CB 3.32Å; I77-A81 PolarHBondContact O-N 2.75Å; Q78-A81 PolarHBondContact O-N 3.19Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.24Å; A81-A83 PolarHBondContact O-N 3.03Å; A81-I84 PolarHBondContact O-N 3.08Å; A81-P85 WeakPolarHBondContact O-CD 3.44Å
82	S	66	Low	67.6	Low	71 Å²	71	61.3 Å²	61.3	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-23.2	176.1	82	0	0	0	0	113.7	Q78 E79 F80	Q78-S82 WeakPolarHBondContact O-CB 3.36Å; Q78-S82 PolarHBondContact O-N 3.47Å; E79-S82 WeakPolarHBondContact CA-OG 3.45Å; E79-S82 WeakPolarHBondContact O-CB 3.26Å; E79-S82 PolarHBondContact O-N 3.23Å; E79-S82 VanDerWaalsContact O-N 3.12Å; E79-S82 PolarHBondContact O-OG 3.46Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.02Å
83	A	68.1	Low	68.3	Low	6 Å²	6	56.8 Å²	56.8	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-79.8	-24.1	176.7	0	0	0	0	0	113.5	Y74 E79 F80 A81 N86 H87	Y74-A83 HydrophobicContact CE1-CB 3.64Å; Y74-A83 WeakPolarHBondContact OH-CB 3.39Å; E79-A83 PolarHBondContact O-N 3.37Å; F80-A83 WeakPolarHBondContact O-CB 3.39Å; F80-A83 PolarHBondContact O-N 3.43Å; A81-A83 PolarHBondContact O-N 3.03Å; A83-N86 PolarHBondContact O-N 2.87Å; A83-N86 VanDerWaalsContact O-N 3.15Å; A83-H87 PolarHBondContact O-CD2 3.17Å; A83-H87 PolarHBondContact O-N 2.96Å
84	I	69.2	Low	68.9	Low	46 Å²	46	52.3 Å²	52.3	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-50.1	-178.4	-66.3	169.1	0	0	0	111.9	M69 F80 A81 N86 H87 L88	M69-I84 HydrophobicContact CE-CG1 3.77Å; F80-I84 HydrophobicContact CD1-CD1 4.45Å; F80-I84 HydrophobicContact CE1-CD1 4.17Å; F80-I84 PolarHBondContact O-N 3.09Å; A81-I84 PolarHBondContact O-N 3.08Å; I84-N86 VanDerWaalsContact C-N 3.29Å; I84-N86 PolarHBondContact O-N 3.21Å; I84-H87 PolarHBondContact O-N 2.65Å; I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.11Å
85	P	72.2	Confident	69.7	Low	69 Å²	69	53.1 Å²	53.1	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-55.7	-40.7	175.5	-27.1	35.4	0	0	0	113.6	A81 L88 L89	A81-P85 WeakPolarHBondContact O-CD 3.44Å; P85-L88 PolarHBondContact O-N 3.45Å; P85-L89 VanDerWaalsContact O-CB 3.29Å; P85-L89 WeakPolarHBondContact O-CB 3.22Å; P85-L89 PolarHBondContact O-N 3.02Å
86	N	76.7	Confident	71.1	Confident	106 Å²	106	52 Å²	52	57%	0.567	28%	0.282	S	S	*	.	H	α-helix	trans	-68.7	-41.7	-178.3	-65.2	-29.4	0	0	0	112.1	A83 I84 L89 L90	A83-N86 PolarHBondContact O-N 2.87Å; A83-N86 VanDerWaalsContact O-N 3.15Å; I84-N86 VanDerWaalsContact C-N 3.29Å; I84-N86 PolarHBondContact O-N 3.21Å; N86-L89 PolarHBondContact O-N 3.12Å; N86-L90 PolarHBondContact O-N 3.28Å
87	H	79.6	Confident	72.1	Confident	23 Å²	23	55.2 Å²	55.2	11%	0.106	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-39.7	173.5	-75.2	-65.7	0	0	0	111.9	M69 A83 I84 L90 G91 A129	M69-H87 PolarHBondContact SD-CD2 3.37Å; A83-H87 PolarHBondContact O-CD2 3.17Å; A83-H87 PolarHBondContact O-N 2.96Å; I84-H87 PolarHBondContact O-N 2.65Å; H87-L90 PolarHBondContact O-N 3.43Å; H87-G91 PolarHBondContact O-N 3.15Å; H87-A129 HydrophobicContact CB-CB 4.3Å; H87-A129 WeakPolarHBondContact O-CB 3.4Å
88	L	78.4	Confident	73.6	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-43.2	173.1	-72.7	173.1	0	0	0	111.5	I84 P85 G91 S92 F134 I137	I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 4.22Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.11Å; P85-L88 PolarHBondContact O-N 3.45Å; L88-G91 PolarHBondContact O-N 3.18Å; L88-S92 PolarHBondContact O-N 3.41Å; L88-S92 PolarHBondContact O-OG 2.94Å; L88-F134 HydrophobicContact CD1-CD1 4.35Å; L88-F134 HydrophobicContact CD2-CB 3.49Å; L88-F134 VanDerWaalsContact CD2-CB 3.49Å; L88-F134 HydrophobicContact CD2-CD1 4.35Å; L88-F134 HydrophobicContact CD2-CD2 4.4Å; L88-F134 HydrophobicContact CD2-CG 3.86Å; L88-I137 HydrophobicContact CD1-CD1 4.16Å; L88-I137 HydrophobicContact CD1-CG2 4.26Å
89	L	79.1	Confident	74.8	Confident	60 Å²	60	48.3 Å²	48.3	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-45.7	176.4	-167.2	73.9	0	0	0	111.6	P85 N86 S92 L93 H141 F145	P85-L89 VanDerWaalsContact O-CB 3.29Å; P85-L89 WeakPolarHBondContact O-CB 3.22Å; P85-L89 PolarHBondContact O-N 3.02Å; N86-L89 PolarHBondContact O-N 3.12Å; L89-S92 VanDerWaalsContact O-CB 3.25Å; L89-S92 WeakPolarHBondContact O-CB 3.28Å; L89-S92 PolarHBondContact O-N 3.21Å; L89-S92 VanDerWaalsContact O-N 3.12Å; L89-L93 PolarHBondContact O-N 2.81Å; L89-H141 HydrophobicContact CD1-CB 4.04Å; L89-F145 HydrophobicContact CD1-CE2 3.52Å; L89-F145 HydrophobicContact CD1-CZ 3.77Å; L89-F145 HydrophobicContact CD2-CZ 4.4Å; L89-F145 HydrophobicContact CG-CE2 4.08Å; L89-F145 HydrophobicContact CG-CZ 4.12Å
90	L	81.2	Confident	75.8	Confident	89 Å²	89	49 Å²	49	47%	0.466	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-41.2	175.9	-176.4	58.8	0	0	0	112.3	N86 H87 S92 L93 L94 L125	N86-L90 PolarHBondContact O-N 3.28Å; H87-L90 PolarHBondContact O-N 3.43Å; L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.15Å; L90-L93 PolarHBondContact O-N 3.38Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.6Å; L90-L125 HydrophobicContact CB-CD1 4.13Å; L90-L125 HydrophobicContact CD2-CD1 3.91Å; L90-L125 HydrophobicContact CG-CD1 3.94Å
91	G	82.4	Confident	76.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-33.8	171.2	0	0	0	0	0	112.8	H87 L88 L94 E95 F112	H87-G91 PolarHBondContact O-N 3.15Å; L88-G91 PolarHBondContact O-N 3.18Å; G91-L94 PolarHBondContact O-N 3.48Å; G91-E95 WeakPolarHBondContact O-CB 3.41Å; G91-E95 PolarHBondContact O-N 3.17Å; G91-F112 VanDerWaalsContact O-CE2 3.31Å; G91-F112 WeakPolarHBondContact O-CE2 3.46Å
92	S	82.8	Confident	78.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-52.2	176.7	-45.1	0	0	0	0	110.5	L88 L89 L90 L94 E95 H96 R138 H141 N142	L88-S92 PolarHBondContact O-N 3.41Å; L88-S92 PolarHBondContact O-OG 2.94Å; L89-S92 VanDerWaalsContact O-CB 3.25Å; L89-S92 WeakPolarHBondContact O-CB 3.28Å; L89-S92 PolarHBondContact O-N 3.21Å; L89-S92 VanDerWaalsContact O-N 3.12Å; L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.15Å; S92-L94 VanDerWaalsContact C-N 3.26Å; S92-L94 PolarHBondContact O-N 2.69Å; S92-E95 WeakPolarHBondContact O-CA 3.47Å; S92-E95 WeakPolarHBondContact O-CB 3.3Å; S92-E95 PolarHBondContact O-N 3.19Å; S92-H96 PolarHBondContact O-N 2.64Å; S92-R138 VanDerWaalsContact OG-CA 3.29Å; S92-R138 WeakPolarHBondContact OG-CA 3.4Å; S92-R138 WeakPolarHBondContact OG-CG 3.46Å; S92-H141 WeakPolarHBondContact OG-CB 3.49Å; S92-H141 PolarHBondContact OG-ND1 3.27Å; S92-N142 WeakPolarHBondContact CB-OD1 3.4Å; S92-N142 PolarHBondContact O-ND2 3.29Å; S92-N142 PolarHBondContact O-OD1 3.01Å
93	L	82.9	Confident	78.5	Confident	74 Å²	74	57.3 Å²	57.3	39%	0.387	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-37.7	177.3	-72.2	168.9	0	0	0	112.1	L89 L90 H96 L97 F145	L89-L93 PolarHBondContact O-N 2.81Å; L90-L93 PolarHBondContact O-N 3.38Å; L93-H96 PolarHBondContact O-N 2.93Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 PolarHBondContact O-N 3.5Å; L93-F145 HydrophobicContact CD1-CE2 4.17Å; L93-F145 HydrophobicContact CD1-CZ 4.09Å; L93-F145 HydrophobicContact CD2-CD1 4.35Å; L93-F145 HydrophobicContact CD2-CD2 3.66Å; L93-F145 HydrophobicContact CD2-CE1 4.23Å; L93-F145 HydrophobicContact CD2-CE2 3.51Å; L93-F145 HydrophobicContact CD2-CG 4.09Å; L93-F145 HydrophobicContact CD2-CZ 3.82Å; L93-F145 HydrophobicContact CG-CD2 4.25Å; L93-F145 HydrophobicContact CG-CE2 3.71Å; L93-F145 HydrophobicContact CG-CZ 4.1Å
94	L	85.1	Confident	78.6	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.126	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-45.7	172.7	-177.6	66.8	0	0	0	112.1	L90 G91 S92 H96 L97 C98 F112 I115 L119 L125	L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.6Å; G91-L94 PolarHBondContact O-N 3.48Å; S92-L94 VanDerWaalsContact C-N 3.26Å; S92-L94 PolarHBondContact O-N 2.69Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.82Å; L94-L97 PolarHBondContact O-N 3.08Å; L94-C98 PolarHBondContact O-N 3.22Å; L94-C98 PolarHBondContact O-SG 2.91Å; L94-F112 HydrophobicContact CB-CD2 4.42Å; L94-F112 HydrophobicContact CB-CE2 4.3Å; L94-F112 HydrophobicContact CD2-CD2 4.09Å; L94-F112 HydrophobicContact CD2-CE2 4.05Å; L94-F112 HydrophobicContact CG-CD2 4Å; L94-F112 HydrophobicContact CG-CE2 4.22Å; L94-I115 HydrophobicContact CD1-CG2 3.82Å; L94-I115 HydrophobicContact CD2-CG2 4.31Å; L94-L119 HydrophobicContact CD1-CD1 4.26Å; L94-L119 HydrophobicContact CD2-CD1 3.8Å; L94-L125 HydrophobicContact CD2-CD2 3.97Å
95	E	84.1	Confident	78.4	Confident	46 Å²	46	62.9 Å²	62.9	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-37.1	177	-166.6	164.8	-161.5	0	0	111.8	G91 S92 C99 F112 R138	G91-E95 WeakPolarHBondContact O-CB 3.41Å; G91-E95 PolarHBondContact O-N 3.17Å; S92-E95 WeakPolarHBondContact O-CA 3.47Å; S92-E95 WeakPolarHBondContact O-CB 3.3Å; S92-E95 PolarHBondContact O-N 3.19Å; E95-C99 WeakPolarHBondContact O-CB 3.49Å; E95-C99 PolarHBondContact O-N 3.38Å; E95-C99 VanDerWaalsContact O-N 3.15Å; E95-F112 HydrophobicContact CB-CD2 3.65Å; E95-F112 HydrophobicContact CB-CE2 3.69Å; E95-F112 HydrophobicContact CB-CG 4.13Å; E95-F112 HydrophobicContact CB-CZ 4.18Å; E95-F112 HydrophobicContact CG-CD1 4.25Å; E95-F112 HydrophobicContact CG-CD2 4.11Å; E95-F112 HydrophobicContact CG-CE1 4.47Å; E95-F112 HydrophobicContact CG-CE2 4.34Å; E95-F112 HydrophobicContact CG-CG 4.07Å; E95-F112 HydrophobicContact CG-CZ 4.5Å; E95-R138 WeakPolarHBondContact OE2-CD 3.3Å; E95-R138 IonicContact OE2-CZ 2.64Å; E95-R138 IonicContact OE2-NE 3.72Å; E95-R138 PolarHBondContact OE2-NE 3.22Å; E95-R138 IonicContact OE2-NH2 2.67Å
96	H	79.8	Confident	77.8	Confident	47 Å²	47	62.8 Å²	62.8	22%	0.218	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-47	172.2	-174.1	95.9	0	0	0	111.7	S92 L93 L94 C98 C99 V100	S92-H96 PolarHBondContact O-N 2.64Å; L93-H96 PolarHBondContact O-N 2.93Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.82Å; H96-C98 VanDerWaalsContact C-N 3.32Å; H96-C98 PolarHBondContact O-N 3.47Å; H96-C99 CarbonylContact O-C 3.58Å; H96-C99 WeakPolarHBondContact O-CA 3.39Å; H96-C99 WeakPolarHBondContact O-CB 3.48Å; H96-C99 PolarHBondContact O-N 2.97Å; H96-V100 WeakPolarHBondContact O-CG2 2.93Å; H96-V100 PolarHBondContact O-N 3.5Å
97	L	79.6	Confident	77.1	Confident	105 Å²	105	65.6 Å²	65.6	55%	0.55	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-39.5	178.3	-177.2	141.8	0	0	0	111.9	L93 L94 C99 V100 Y101	L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 PolarHBondContact O-N 3.5Å; L94-L97 PolarHBondContact O-N 3.08Å; L97-C99 VanDerWaalsContact C-N 3.32Å; L97-C99 PolarHBondContact O-N 3.29Å; L97-V100 PolarHBondContact O-N 2.8Å; L97-Y101 WeakPolarHBondContact O-CB 3.06Å; L97-Y101 PolarHBondContact O-N 3.1Å
98	C	80.4	Confident	76.9	Confident	1 Å²	1	65 Å²	65	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-37.4	172.1	-66.8	0	0	0	0	112.7	L94 H96 Y101 E102 S108 L111 F112	L94-C98 PolarHBondContact O-N 3.22Å; L94-C98 PolarHBondContact O-SG 2.91Å; H96-C98 VanDerWaalsContact C-N 3.32Å; H96-C98 PolarHBondContact O-N 3.47Å; C98-Y101 PolarHBondContact O-N 3.4Å; C98-E102 PolarHBondContact O-N 3.37Å; C98-S108 VanDerWaalsContact C-OG 3.28Å; C98-S108 PolarHBondContact O-OG 2.86Å; C98-L111 HydrophobicContact CB-CD2 4.3Å; C98-L111 HydrophobicContact CB-CG 4.43Å; C98-F112 HydrophobicContact CB-CB 4.17Å; C98-F112 VanDerWaalsContact SG-CA 3.6Å
99	C	76.1	Confident	76.8	Confident	61 Å²	61	71.9 Å²	71.9	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-74.8	-27	178.2	-172	0	0	0	0	113.5	E95 H96 L97 S108	E95-C99 WeakPolarHBondContact O-CB 3.49Å; E95-C99 PolarHBondContact O-N 3.38Å; E95-C99 VanDerWaalsContact O-N 3.15Å; H96-C99 CarbonylContact O-C 3.58Å; H96-C99 WeakPolarHBondContact O-CA 3.39Å; H96-C99 WeakPolarHBondContact O-CB 3.48Å; H96-C99 PolarHBondContact O-N 2.97Å; L97-C99 VanDerWaalsContact C-N 3.32Å; L97-C99 PolarHBondContact O-N 3.29Å; C99-S108 VanDerWaalsContact CA-OG 3.28Å; C99-S108 WeakPolarHBondContact CA-OG 3.13Å; C99-S108 PolarHBondContact N-OG 3.02Å
100	V	76.3	Confident	76.7	Confident	102 Å²	102	75 Å²	75	62%	0.618	39%	0.386	S	S	*	.	H	α-helix	trans	-74.6	-38.7	170.2	172.2	0	0	0	0	110.9	H96 L97	H96-V100 WeakPolarHBondContact O-CG2 2.93Å; H96-V100 PolarHBondContact O-N 3.5Å; L97-V100 PolarHBondContact O-N 2.8Å
101	Y	79.3	Confident	76.3	Confident	192 Å²	192	73.3 Å²	73.3	75%	0.753	38%	0.377	S	S	*	.	H	α-helix	trans	-78.2	-42.1	-176.6	-170.2	-92.4	0	0	0	113.9	L97 C98 L111	L97-Y101 WeakPolarHBondContact O-CB 3.06Å; L97-Y101 PolarHBondContact O-N 3.1Å; C98-Y101 PolarHBondContact O-N 3.4Å; Y101-L111 HydrophobicContact CD1-CD2 3.91Å
102	E	83.3	Confident	76.6	Confident	51 Å²	51	73.3 Å²	73.3	24%	0.238	38%	0.377	C	S	.	.			trans	-115.8	117	-179.3	169.6	56.6	-79.1	0	0	110.4	C98 N104 R107 L111	C98-E102 PolarHBondContact O-N 3.37Å; E102-N104 VanDerWaalsContact C-N 3.34Å; E102-N104 HydrophobicContact CG-CB 4.48Å; E102-N104 PolarHBondContact O-N 2.85Å; E102-N104 WeakPolarHBondContact OE1-CB 3.47Å; E102-N104 PolarHBondContact OE1-N 2.93Å; E102-R107 HydrophobicContact CG-CB 3.48Å; E102-R107 VanDerWaalsContact CG-CB 3.48Å; E102-R107 VanDerWaalsContact OE2-CB 3.3Å; E102-R107 WeakPolarHBondContact OE2-CB 3.13Å; E102-R107 WeakPolarHBondContact OE2-CD 3.49Å; E102-R107 IonicContact OE2-NH1 3.85Å; E102-L111 HydrophobicContact CB-CD2 4.18Å
103	S	72.9	Confident	76.5	Confident	94 Å²	94	76.3 Å²	76.3	66%	0.657	39%	0.39	S	S	*	.	S	Bend	trans	-77.8	-14.4	-176	-70.5	0	0	0	0	114.2	P105	S103-P105 WeakPolarHBondContact O-CD 3.24Å
104	N	69.8	Low	76.7	Confident	70 Å²	70	76.1 Å²	76.1	37%	0.374	39%	0.392	S	S	.	.	S	Bend	trans	-86.5	117	173.1	-179.6	-68.5	0	0	0	110.8	E102 A106 R107 S108	E102-N104 VanDerWaalsContact C-N 3.34Å; E102-N104 HydrophobicContact CG-CB 4.48Å; E102-N104 PolarHBondContact O-N 2.85Å; E102-N104 WeakPolarHBondContact OE1-CB 3.47Å; E102-N104 PolarHBondContact OE1-N 2.93Å; N104-A106 VanDerWaalsContact C-N 3.31Å; N104-A106 PolarHBondContact O-N 3.42Å; N104-A106 WeakPolarHBondContact OD1-CB 3.39Å; N104-A106 PolarHBondContact OD1-N 3.28Å; N104-A106 VanDerWaalsContact OD1-N 3.07Å; N104-R107 HydrophobicContact CB-CB 4.1Å; N104-R107 HydrophobicContact CB-CG 4.17Å; N104-R107 PolarHBondContact O-N 3.48Å; N104-R107 VanDerWaalsContact O-N 3.16Å; N104-R107 PolarHBondContact OD1-N 3.36Å; N104-S108 WeakPolarHBondContact O-CB 3.35Å; N104-S108 PolarHBondContact O-N 3.34Å
105	P	65.3	Low	76.7	Confident	98 Å²	98	77.8 Å²	77.8	64%	0.636	40%	0.4	S	S	*	.	H	α-helix	trans	-60.9	-32	-173.7	-27.1	35.9	0	0	0	115.3	S103 R109	S103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-R109 WeakPolarHBondContact O-CB 3.34Å; P105-R109 PolarHBondContact O-N 2.83Å
106	A	59.4	Low	76.6	Confident	68 Å²	68	75.6 Å²	75.6	56%	0.562	39%	0.39	S	S	*	.	H	α-helix	trans	-72.6	-41.8	178.4	0	0	0	0	0	111.4	N104 R109 M110	N104-A106 VanDerWaalsContact C-N 3.31Å; N104-A106 PolarHBondContact O-N 3.42Å; N104-A106 WeakPolarHBondContact OD1-CB 3.39Å; N104-A106 PolarHBondContact OD1-N 3.28Å; N104-A106 VanDerWaalsContact OD1-N 3.07Å; A106-R109 PolarHBondContact O-N 2.98Å; A106-M110 PolarHBondContact O-N 3.24Å
107	R	61.5	Low	76.8	Confident	165 Å²	165	79 Å²	79	62%	0.623	41%	0.406	S	S	*	.	H	α-helix	trans	-68.7	-40.3	174.1	-65.6	-177.5	177.3	-175.7	-2.3	112	E102 N104 R109 M110 L111	E102-R107 HydrophobicContact CG-CB 3.48Å; E102-R107 VanDerWaalsContact CG-CB 3.48Å; E102-R107 VanDerWaalsContact OE2-CB 3.3Å; E102-R107 WeakPolarHBondContact OE2-CB 3.13Å; E102-R107 WeakPolarHBondContact OE2-CD 3.49Å; E102-R107 IonicContact OE2-NH1 3.85Å; N104-R107 HydrophobicContact CB-CB 4.1Å; N104-R107 HydrophobicContact CB-CG 4.17Å; N104-R107 PolarHBondContact O-N 3.48Å; N104-R107 VanDerWaalsContact O-N 3.16Å; N104-R107 PolarHBondContact OD1-N 3.36Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.36Å; R107-M110 PolarHBondContact O-N 3.19Å; R107-L111 WeakPolarHBondContact O-CB 3.37Å; R107-L111 PolarHBondContact O-N 3.29Å
108	S	75.9	Confident	77	Confident	10 Å²	10	82.6 Å²	82.6	7%	0.07	41%	0.412	C	S	.	.	H	α-helix	trans	-57.3	-42.6	173.1	175.2	0	0	0	0	111.7	C98 C99 N104 L111 F112	C98-S108 VanDerWaalsContact C-OG 3.28Å; C98-S108 PolarHBondContact O-OG 2.86Å; C99-S108 VanDerWaalsContact CA-OG 3.28Å; C99-S108 WeakPolarHBondContact CA-OG 3.13Å; C99-S108 PolarHBondContact N-OG 3.02Å; N104-S108 WeakPolarHBondContact O-CB 3.35Å; N104-S108 PolarHBondContact O-N 3.34Å; S108-L111 PolarHBondContact O-N 3.09Å; S108-F112 WeakPolarHBondContact O-CB 3.29Å; S108-F112 PolarHBondContact O-N 2.99Å
109	R	76.2	Confident	77.2	Confident	152 Å²	152	85 Å²	85	57%	0.574	43%	0.425	S	S	*	.	H	α-helix	trans	-67.6	-39.2	176.3	-169	-176.9	-62	146.4	1.5	112.3	P105 A106 R107 K113	P105-R109 WeakPolarHBondContact O-CB 3.34Å; P105-R109 PolarHBondContact O-N 2.83Å; A106-R109 PolarHBondContact O-N 2.98Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.36Å; R109-K113 PolarHBondContact O-N 3.35Å
110	M	75.6	Confident	77.5	Confident	127 Å²	127	82.8 Å²	82.8	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-63.5	-44.5	173.7	-174.2	64.7	103.7	0	0	111.2	A106 R107 K113 V114	A106-M110 PolarHBondContact O-N 3.24Å; R107-M110 PolarHBondContact O-N 3.19Å; M110-K113 PolarHBondContact O-N 3.11Å; M110-V114 HydrophobicContact CG-CG2 4.4Å; M110-V114 WeakPolarHBondContact O-CG2 3.39Å; M110-V114 PolarHBondContact O-N 2.8Å; M110-V114 HydrophobicContact SD-CG2 4.35Å
111	L	74.6	Confident	77.7	Confident	52 Å²	52	81.6 Å²	81.6	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-45.3	177.1	-175.4	63.5	0	0	0	111.5	C98 Y101 E102 R107 S108 V114 I115	C98-L111 HydrophobicContact CB-CD2 4.3Å; C98-L111 HydrophobicContact CB-CG 4.43Å; Y101-L111 HydrophobicContact CD1-CD2 3.91Å; E102-L111 HydrophobicContact CB-CD2 4.18Å; R107-L111 WeakPolarHBondContact O-CB 3.37Å; R107-L111 PolarHBondContact O-N 3.29Å; S108-L111 PolarHBondContact O-N 3.09Å; L111-V114 PolarHBondContact O-N 3.28Å; L111-I115 HydrophobicContact CD1-CD1 3.66Å; L111-I115 HydrophobicContact CD1-CG1 4.18Å; L111-I115 HydrophobicContact CG-CD1 3.83Å; L111-I115 WeakPolarHBondContact O-CB 3.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.44Å
112	F	87.3	Confident	77.9	Confident	1 Å²	1	78 Å²	78	0%	0.004	41%	0.405	C	S	.	.	H	α-helix	trans	-57.2	-48.5	172.7	169.8	-110.9	0	0	0	112	G91 L94 E95 C98 S108 G116 I130	G91-F112 VanDerWaalsContact O-CE2 3.31Å; G91-F112 WeakPolarHBondContact O-CE2 3.46Å; L94-F112 HydrophobicContact CB-CD2 4.42Å; L94-F112 HydrophobicContact CB-CE2 4.3Å; L94-F112 HydrophobicContact CD2-CD2 4.09Å; L94-F112 HydrophobicContact CD2-CE2 4.05Å; L94-F112 HydrophobicContact CG-CD2 4Å; L94-F112 HydrophobicContact CG-CE2 4.22Å; E95-F112 HydrophobicContact CB-CD2 3.65Å; E95-F112 HydrophobicContact CB-CE2 3.69Å; E95-F112 HydrophobicContact CB-CG 4.13Å; E95-F112 HydrophobicContact CB-CZ 4.18Å; E95-F112 HydrophobicContact CG-CD1 4.25Å; E95-F112 HydrophobicContact CG-CD2 4.11Å; E95-F112 HydrophobicContact CG-CE1 4.47Å; E95-F112 HydrophobicContact CG-CE2 4.34Å; E95-F112 HydrophobicContact CG-CG 4.07Å; E95-F112 HydrophobicContact CG-CZ 4.5Å; C98-F112 HydrophobicContact CB-CB 4.17Å; C98-F112 VanDerWaalsContact SG-CA 3.6Å; S108-F112 WeakPolarHBondContact O-CB 3.29Å; S108-F112 PolarHBondContact O-N 2.99Å; F112-G116 WeakPolarHBondContact O-CA 3.24Å; F112-G116 PolarHBondContact O-N 3.41Å; F112-I130 HydrophobicContact CZ-CB 4.38Å; F112-I130 HydrophobicContact CZ-CG2 4.29Å
113	K	82.3	Confident	77.8	Confident	62 Å²	62	80 Å²	80	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-43.4	178.9	-73.1	-167	174.4	-167	0	112.4	R109 M110 Q117 D132	R109-K113 PolarHBondContact O-N 3.35Å; M110-K113 PolarHBondContact O-N 3.11Å; K113-Q117 VanDerWaalsContact O-CB 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.47Å; K113-Q117 WeakPolarHBondContact O-CG 3.41Å; K113-Q117 PolarHBondContact O-N 2.82Å; K113-D132 WeakPolarHBondContact CE-OD1 3.34Å; K113-D132 IonicContact NZ-OD1 3.65Å; K113-D132 PolarHBondContact NZ-OD1 3.49Å; K113-D132 IonicContact NZ-OD2 2.69Å; K113-D132 PolarHBondContact NZ-OD2 2.89Å
114	V	86.8	Confident	78	Confident	71 Å²	71	80.6 Å²	80.6	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-48	179.7	171	0	0	0	0	111.9	M110 L111 R118	M110-V114 HydrophobicContact CG-CG2 4.4Å; M110-V114 WeakPolarHBondContact O-CG2 3.39Å; M110-V114 PolarHBondContact O-N 2.8Å; M110-V114 HydrophobicContact SD-CG2 4.35Å; L111-V114 PolarHBondContact O-N 3.28Å; V114-R118 WeakPolarHBondContact O-CG 3.5Å; V114-R118 PolarHBondContact O-N 3.1Å; V114-R118 VanDerWaalsContact O-N 3.15Å
115	I	85.2	Confident	78.5	Confident	58 Å²	58	77.3 Å²	77.3	30%	0.297	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-43.7	177.8	-63	169.6	0	0	0	110.1	L94 L111 Q117 R118 L119	L94-I115 HydrophobicContact CD1-CG2 3.82Å; L94-I115 HydrophobicContact CD2-CG2 4.31Å; L111-I115 HydrophobicContact CD1-CD1 3.66Å; L111-I115 HydrophobicContact CD1-CG1 4.18Å; L111-I115 HydrophobicContact CG-CD1 3.83Å; L111-I115 WeakPolarHBondContact O-CB 3.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.44Å; I115-Q117 PolarHBondContact O-N 2.98Å; I115-R118 PolarHBondContact O-N 3.25Å; I115-R118 VanDerWaalsContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 3.89Å; I115-L119 HydrophobicContact CG2-CG 4.23Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 2.82Å
116	G	81.5	Confident	79.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-45	177.9	0	0	0	0	0	113.1	F112 R118 L119 A120	F112-G116 WeakPolarHBondContact O-CA 3.24Å; F112-G116 PolarHBondContact O-N 3.41Å; G116-R118 VanDerWaalsContact C-N 3.34Å; G116-R118 PolarHBondContact O-N 3.07Å; G116-L119 PolarHBondContact O-N 3.49Å; G116-A120 WeakPolarHBondContact O-CB 3.42Å; G116-A120 PolarHBondContact O-N 2.93Å
117	Q	83.5	Confident	79.8	Confident	118 Å²	118	73.5 Å²	73.5	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-62.5	-38.7	174.5	-76.6	169.9	-16.5	0	0	112.2	K113 I115 A120 A121 I130	K113-Q117 VanDerWaalsContact O-CB 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.47Å; K113-Q117 WeakPolarHBondContact O-CG 3.41Å; K113-Q117 PolarHBondContact O-N 2.82Å; I115-Q117 PolarHBondContact O-N 2.98Å; Q117-A120 PolarHBondContact O-N 3.43Å; Q117-A121 WeakPolarHBondContact O-CB 3.39Å; Q117-A121 PolarHBondContact O-N 2.86Å; Q117-I130 HydrophobicContact CB-CD1 4.48Å; Q117-I130 HydrophobicContact CG-CD1 3.85Å
118	R	84.9	Confident	80.3	Confident	182 Å²	182	68.6 Å²	68.6	69%	0.687	35%	0.35	S	S	*	.	H	α-helix	trans	-68.5	-41.3	175.5	-69.2	-66	-177.3	-175.3	-0.8	112.3	V114 I115 G116 A120 A121 L122	V114-R118 WeakPolarHBondContact O-CG 3.5Å; V114-R118 PolarHBondContact O-N 3.1Å; V114-R118 VanDerWaalsContact O-N 3.15Å; I115-R118 PolarHBondContact O-N 3.25Å; I115-R118 VanDerWaalsContact O-N 3.15Å; G116-R118 VanDerWaalsContact C-N 3.34Å; G116-R118 PolarHBondContact O-N 3.07Å; R118-A120 VanDerWaalsContact C-N 3.31Å; R118-A120 PolarHBondContact O-N 3.13Å; R118-A121 PolarHBondContact O-N 3.05Å; R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 VanDerWaalsContact O-CG 3.28Å; R118-L122 WeakPolarHBondContact O-CG 3.41Å; R118-L122 PolarHBondContact O-N 3.38Å
119	L	83.6	Confident	80.3	Confident	50 Å²	50	68.1 Å²	68.1	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-34	174.2	-68.7	172.8	0	0	0	112.3	L94 I115 G116 L122 N123 L124 L125	L94-L119 HydrophobicContact CD1-CD1 4.26Å; L94-L119 HydrophobicContact CD2-CD1 3.8Å; I115-L119 HydrophobicContact CG2-CD1 3.89Å; I115-L119 HydrophobicContact CG2-CG 4.23Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 2.82Å; G116-L119 PolarHBondContact O-N 3.49Å; L119-L122 PolarHBondContact O-N 2.73Å; L119-N123 PolarHBondContact O-N 3.23Å; L119-L124 HydrophobicContact CB-CB 4.48Å; L119-L124 HydrophobicContact CD2-CB 4.22Å; L119-L124 HydrophobicContact CD2-CD1 3.87Å; L119-L124 PolarHBondContact O-N 3.21Å; L119-L125 HydrophobicContact CB-CB 3.79Å; L119-L125 HydrophobicContact CB-CD2 4.27Å; L119-L125 HydrophobicContact CD1-CD2 4.37Å; L119-L125 PolarHBondContact O-N 3.36Å
120	A	82.4	Confident	80.4	Confident	16 Å²	16	61.9 Å²	61.9	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-44.4	173.2	0	0	0	0	0	112.3	G116 Q117 R118 L122 N123 L125 P127 I130	G116-A120 WeakPolarHBondContact O-CB 3.42Å; G116-A120 PolarHBondContact O-N 2.93Å; Q117-A120 PolarHBondContact O-N 3.43Å; R118-A120 VanDerWaalsContact C-N 3.31Å; R118-A120 PolarHBondContact O-N 3.13Å; A120-L122 PolarHBondContact O-N 3.48Å; A120-N123 PolarHBondContact O-N 2.84Å; A120-L125 WeakPolarHBondContact CA-O 3.31Å; A120-P127 HydrophobicContact CB-CG 4.41Å; A120-I130 HydrophobicContact CB-CD1 4.26Å
121	A	80.6	Confident	80.4	Confident	76 Å²	76	57.2 Å²	57.2	63%	0.628	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-27.3	174.4	0	0	0	0	0	113.3	Q117 R118 N123	Q117-A121 WeakPolarHBondContact O-CB 3.39Å; Q117-A121 PolarHBondContact O-N 2.86Å; R118-A121 PolarHBondContact O-N 3.05Å; A121-N123 VanDerWaalsContact C-N 3.3Å
122	L	83.4	Confident	80	Confident	117 Å²	117	58.7 Å²	58.7	61%	0.613	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	4.7	172.6	-68.8	172.2	0	0	0	113.8	R118 L119 A120 L124	R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 VanDerWaalsContact O-CG 3.28Å; R118-L122 WeakPolarHBondContact O-CG 3.41Å; R118-L122 PolarHBondContact O-N 3.38Å; L119-L122 PolarHBondContact O-N 2.73Å; A120-L122 PolarHBondContact O-N 3.48Å; L122-L124 HydrophobicContact CB-CD1 4.11Å; L122-L124 HydrophobicContact CB-CG 4.07Å; L122-L124 HydrophobicContact CD1-CD1 4.41Å; L122-L124 PolarHBondContact O-N 3.4Å
123	N	80.7	Confident	79.1	Confident	93 Å²	93	63.5 Å²	63.5	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	26.7	-175.1	-74.7	-60.8	0	0	0	114.5	A70 G71 L119 A120 A121	A70-N123 CarbonylContact C-O 3.59Å; G71-N123 PolarHBondContact N-OD1 3.3Å; L119-N123 PolarHBondContact O-N 3.23Å; A120-N123 PolarHBondContact O-N 2.84Å; A121-N123 VanDerWaalsContact C-N 3.3Å
124	L	77	Confident	78.5	Confident	106 Å²	106	62.6 Å²	62.6	56%	0.555	33%	0.332	S	S	*	.	S	Bend	trans	-94	-18.3	175.8	-61.6	176.5	0	0	0	112.7	L119 L122	L119-L124 HydrophobicContact CB-CB 4.48Å; L119-L124 HydrophobicContact CD2-CB 4.22Å; L119-L124 HydrophobicContact CD2-CD1 3.87Å; L119-L124 PolarHBondContact O-N 3.21Å; L122-L124 HydrophobicContact CB-CD1 4.11Å; L122-L124 HydrophobicContact CB-CG 4.07Å; L122-L124 HydrophobicContact CD1-CD1 4.41Å; L122-L124 PolarHBondContact O-N 3.4Å
125	L	80.8	Confident	77.7	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	-141.4	145.5	-176.8	-171.6	60.6	0	0	0	110.4	L90 L94 L119 A120 A129 I130	L90-L125 HydrophobicContact CB-CD1 4.13Å; L90-L125 HydrophobicContact CD2-CD1 3.91Å; L90-L125 HydrophobicContact CG-CD1 3.94Å; L94-L125 HydrophobicContact CD2-CD2 3.97Å; L119-L125 HydrophobicContact CB-CB 3.79Å; L119-L125 HydrophobicContact CB-CD2 4.27Å; L119-L125 HydrophobicContact CD1-CD2 4.37Å; L119-L125 PolarHBondContact O-N 3.36Å; A120-L125 WeakPolarHBondContact CA-O 3.31Å; L125-A129 HydrophobicContact CD1-CB 3.55Å; L125-A129 HydrophobicContact CD2-CB 4.35Å; L125-A129 HydrophobicContact CG-CB 3.82Å; L125-I130 HydrophobicContact CD2-CG2 3.58Å; L125-I130 HydrophobicContact CG-CG2 4.37Å
126	S	79.8	Confident	76.6	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	32%	0.315	C	S	.	.			trans	-73.7	140.6	175.4	-177.9	0	0	0	0	110.9	M69 L128 A129	M69-S126 VanDerWaalsContact CG-OG 3.28Å; M69-S126 WeakPolarHBondContact CG-OG 3.31Å; M69-S126 VanDerWaalsContact SD-CB 3.52Å; M69-S126 PolarHBondContact SD-OG 3.48Å; S126-L128 PolarHBondContact O-N 3.29Å; S126-L128 VanDerWaalsContact O-N 3.16Å; S126-L128 WeakPolarHBondContact OG-CB 3.44Å; S126-L128 PolarHBondContact OG-N 3.35Å; S126-A129 VanDerWaalsContact O-CB 3.25Å; S126-A129 WeakPolarHBondContact O-CB 3.29Å; S126-A129 PolarHBondContact O-N 2.86Å
127	P	72.8	Confident	75.8	Confident	83 Å²	83	59.9 Å²	59.9	54%	0.539	32%	0.319	S	S	.	.	H	α-helix	trans	-53.4	-30.8	167.6	-27.1	35.7	0	0	0	113.3	A120 A129 I130 S131	A120-P127 HydrophobicContact CB-CG 4.41Å; P127-A129 PolarHBondContact O-N 2.84Å; P127-I130 WeakPolarHBondContact O-CG1 3.22Å; P127-I130 PolarHBondContact O-N 3.08Å; P127-S131 PolarHBondContact O-N 2.93Å
128	L	72.4	Confident	75.5	Confident	62 Å²	62	54.3 Å²	54.3	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-28.6	174.6	-55.4	174.5	0	0	0	112.4	M69 S126 I130 F134	M69-L128 HydrophobicContact CE-CD1 4.09Å; M69-L128 HydrophobicContact SD-CD1 4.44Å; S126-L128 PolarHBondContact O-N 3.29Å; S126-L128 VanDerWaalsContact O-N 3.16Å; S126-L128 WeakPolarHBondContact OG-CB 3.44Å; S126-L128 PolarHBondContact OG-N 3.35Å; L128-I130 VanDerWaalsContact C-N 3.27Å; L128-I130 PolarHBondContact O-N 3.01Å; L128-F134 HydrophobicContact CB-CD2 4.47Å; L128-F134 HydrophobicContact CB-CE2 4.21Å; L128-F134 HydrophobicContact CD2-CE2 4.08Å; L128-F134 WeakPolarHBondContact O-CD2 3.24Å
129	A	74.8	Confident	74.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.8	-18.2	179.5	0	0	0	0	0	113.5	H87 L125 S126 P127 R138	H87-A129 HydrophobicContact CB-CB 4.3Å; H87-A129 WeakPolarHBondContact O-CB 3.4Å; L125-A129 HydrophobicContact CD1-CB 3.55Å; L125-A129 HydrophobicContact CD2-CB 4.35Å; L125-A129 HydrophobicContact CG-CB 3.82Å; S126-A129 VanDerWaalsContact O-CB 3.25Å; S126-A129 WeakPolarHBondContact O-CB 3.29Å; S126-A129 PolarHBondContact O-N 2.86Å; P127-A129 PolarHBondContact O-N 2.84Å; A129-R138 VanDerWaalsContact O-CD 3.26Å; A129-R138 WeakPolarHBondContact O-CD 3.47Å; A129-R138 PolarHBondContact O-NH1 3.47Å
130	I	78.1	Confident	73.7	Confident	22 Å²	22	49.3 Å²	49.3	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-110.8	-7.7	-177.2	63.4	166.6	0	0	0	113.2	F112 Q117 A120 L125 P127 L128	F112-I130 HydrophobicContact CZ-CB 4.38Å; F112-I130 HydrophobicContact CZ-CG2 4.29Å; Q117-I130 HydrophobicContact CB-CD1 4.48Å; Q117-I130 HydrophobicContact CG-CD1 3.85Å; A120-I130 HydrophobicContact CB-CD1 4.26Å; L125-I130 HydrophobicContact CD2-CG2 3.58Å; L125-I130 HydrophobicContact CG-CG2 4.37Å; P127-I130 WeakPolarHBondContact O-CG1 3.22Å; P127-I130 PolarHBondContact O-N 3.08Å; L128-I130 VanDerWaalsContact C-N 3.27Å; L128-I130 PolarHBondContact O-N 3.01Å
131	S	76.1	Confident	73.3	Confident	29 Å²	29	50.7 Å²	50.7	20%	0.203	28%	0.281	C	S	.	.	S	Bend	trans	-74.1	153.8	-177.7	98.3	0	0	0	0	111.7	P127 E133 F134 R138	P127-S131 PolarHBondContact O-N 2.93Å; S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 WeakPolarHBondContact CB-OE2 3.35Å; S131-E133 PolarHBondContact OG-OE2 3.06Å; S131-F134 WeakPolarHBondContact OG-CD2 3.19Å; S131-R138 PolarHBondContact O-NH1 3.43Å; S131-R138 PolarHBondContact O-NH2 3.45Å
132	D	67.1	Low	72.7	Confident	83 Å²	83	47.6 Å²	47.6	44%	0.444	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-77.8	-22.6	-174.1	-65.8	-37.7	0	0	0	112.1	K113 F134 S135	K113-D132 WeakPolarHBondContact CE-OD1 3.34Å; K113-D132 IonicContact NZ-OD1 3.65Å; K113-D132 PolarHBondContact NZ-OD1 3.49Å; K113-D132 IonicContact NZ-OD2 2.69Å; K113-D132 PolarHBondContact NZ-OD2 2.89Å; D132-F134 PolarHBondContact O-N 3.17Å; D132-S135 WeakPolarHBondContact O-CB 3.46Å; D132-S135 PolarHBondContact O-N 3Å; D132-S135 VanDerWaalsContact O-N 3.09Å; D132-S135 PolarHBondContact O-OG 3.41Å
133	E	67.8	Low	71.8	Confident	102 Å²	102	44 Å²	44	48%	0.477	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.5	-28.1	180	-60.8	79.2	-176.4	0	0	113.1	S131	S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 WeakPolarHBondContact CB-OE2 3.35Å; S131-E133 PolarHBondContact OG-OE2 3.06Å
134	F	70.1	Confident	71.2	Confident	43 Å²	43	42.2 Å²	42.2	19%	0.189	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-105.5	8.3	178	-59.6	-76.2	0	0	0	114.1	L88 L128 S131 D132 T136 I137 R138	L88-F134 HydrophobicContact CD1-CD1 4.35Å; L88-F134 HydrophobicContact CD2-CB 3.49Å; L88-F134 VanDerWaalsContact CD2-CB 3.49Å; L88-F134 HydrophobicContact CD2-CD1 4.35Å; L88-F134 HydrophobicContact CD2-CD2 4.4Å; L88-F134 HydrophobicContact CD2-CG 3.86Å; L128-F134 HydrophobicContact CB-CD2 4.47Å; L128-F134 HydrophobicContact CB-CE2 4.21Å; L128-F134 HydrophobicContact CD2-CE2 4.08Å; L128-F134 WeakPolarHBondContact O-CD2 3.24Å; S131-F134 WeakPolarHBondContact OG-CD2 3.19Å; D132-F134 PolarHBondContact O-N 3.17Å; F134-T136 PolarHBondContact O-N 2.68Å; F134-I137 HydrophobicContact CD1-CD1 3.95Å; F134-I137 PolarHBondContact O-N 3.4Å; F134-R138 PolarHBondContact O-N 2.87Å; F134-R138 VanDerWaalsContact O-N 3.14Å
135	S	69.8	Low	70.9	Confident	39 Å²	39	39.9 Å²	39.9	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-55.9	-32.5	178.8	57.3	0	0	0	0	113.5	D132 R138 L139	D132-S135 WeakPolarHBondContact O-CB 3.46Å; D132-S135 PolarHBondContact O-N 3Å; D132-S135 VanDerWaalsContact O-N 3.09Å; D132-S135 PolarHBondContact O-OG 3.41Å; S135-R138 PolarHBondContact O-N 3.12Å; S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 PolarHBondContact O-N 3.32Å
136	T	60.7	Low	70.2	Confident	18 Å²	18	41 Å²	41	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-43	175.2	50.9	0	0	0	0	112.4	F134 Q140 R186 M258 E259	F134-T136 PolarHBondContact O-N 2.68Å; T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.11Å; T136-R186 HydrophobicContact CG2-CB 4Å; T136-M258 PolarHBondContact OG1-O 3.01Å; T136-E259 HydrophobicContact CG2-CG 4.21Å
137	I	64.6	Low	69.7	Low	15 Å²	15	46.5 Å²	46.5	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-42	177.7	-49.4	-172.6	0	0	0	110	L88 F134 L139 Q140 H141	L88-I137 HydrophobicContact CD1-CD1 4.16Å; L88-I137 HydrophobicContact CD1-CG2 4.26Å; F134-I137 HydrophobicContact CD1-CD1 3.95Å; F134-I137 PolarHBondContact O-N 3.4Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.08Å; I137-Q140 WeakPolarHBondContact O-CB 3.43Å; I137-Q140 PolarHBondContact O-N 2.94Å; I137-Q140 VanDerWaalsContact O-N 3.11Å; I137-H141 PolarHBondContact O-N 2.72Å
138	R	77.3	Confident	69.8	Low	1 Å²	1	48 Å²	48	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-39.9	176.2	-65.1	-162.9	-61.5	-86.5	-5.8	113.1	S92 E95 A129 S131 F134 S135 Q140 H141 N142	S92-R138 VanDerWaalsContact OG-CA 3.29Å; S92-R138 WeakPolarHBondContact OG-CA 3.4Å; S92-R138 WeakPolarHBondContact OG-CG 3.46Å; E95-R138 WeakPolarHBondContact OE2-CD 3.3Å; E95-R138 IonicContact OE2-CZ 2.64Å; E95-R138 IonicContact OE2-NE 3.72Å; E95-R138 PolarHBondContact OE2-NE 3.22Å; E95-R138 IonicContact OE2-NH2 2.67Å; A129-R138 VanDerWaalsContact O-CD 3.26Å; A129-R138 WeakPolarHBondContact O-CD 3.47Å; A129-R138 PolarHBondContact O-NH1 3.47Å; S131-R138 PolarHBondContact O-NH1 3.43Å; S131-R138 PolarHBondContact O-NH2 3.45Å; F134-R138 PolarHBondContact O-N 2.87Å; F134-R138 VanDerWaalsContact O-N 3.14Å; S135-R138 PolarHBondContact O-N 3.12Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 2.95Å; R138-H141 PolarHBondContact O-N 2.8Å; R138-N142 WeakPolarHBondContact O-CB 3.4Å; R138-N142 PolarHBondContact O-N 3.26Å
139	L	66.8	Low	69.6	Low	60 Å²	60	49.6 Å²	49.6	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-34	174.4	-176	61.5	0	0	0	112.2	S135 I137 R143	S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 PolarHBondContact O-N 3.32Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.08Å; L139-R143 WeakPolarHBondContact O-CG 3.39Å; L139-R143 PolarHBondContact O-N 3.29Å
140	Q	64.8	Low	69.3	Low	67 Å²	67	54 Å²	54	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-46.2	175	-72.5	176.6	-4.7	0	0	112.2	T136 I137 R138 N142 R143 A144 H260	T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.11Å; I137-Q140 WeakPolarHBondContact O-CB 3.43Å; I137-Q140 PolarHBondContact O-N 2.94Å; I137-Q140 VanDerWaalsContact O-N 3.11Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 2.95Å; Q140-N142 VanDerWaalsContact C-N 3.3Å; Q140-N142 PolarHBondContact O-N 3.47Å; Q140-R143 PolarHBondContact O-N 3.3Å; Q140-A144 PolarHBondContact O-N 3.3Å; Q140-H260 PolarHBondContact OE1-CD2 3.01Å
141	H	73.7	Confident	68.9	Low	45 Å²	45	55.8 Å²	55.8	21%	0.208	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-43.4	171.9	-65.4	153.3	0	0	0	111.8	L89 S92 I137 R138 R143 A144 F145	L89-H141 HydrophobicContact CD1-CB 4.04Å; S92-H141 WeakPolarHBondContact OG-CB 3.49Å; S92-H141 PolarHBondContact OG-ND1 3.27Å; I137-H141 PolarHBondContact O-N 2.72Å; R138-H141 PolarHBondContact O-N 2.8Å; H141-R143 VanDerWaalsContact C-N 3.32Å; H141-R143 PolarHBondContact O-N 3.07Å; H141-A144 PolarHBondContact O-N 3.34Å; H141-F145 VanDerWaalsContact O-CD2 3.23Å; H141-F145 WeakPolarHBondContact O-CD2 3.43Å; H141-F145 PolarHBondContact O-N 3.04Å
142	N	68.8	Low	68.7	Low	11 Å²	11	56.2 Å²	56.2	6%	0.059	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-29.8	179.7	-75.2	-16.3	0	0	0	113.2	S92 R138 Q140 T146	S92-N142 WeakPolarHBondContact CB-OD1 3.4Å; S92-N142 PolarHBondContact O-ND2 3.29Å; S92-N142 PolarHBondContact O-OD1 3.01Å; R138-N142 WeakPolarHBondContact O-CB 3.4Å; R138-N142 PolarHBondContact O-N 3.26Å; Q140-N142 VanDerWaalsContact C-N 3.3Å; Q140-N142 PolarHBondContact O-N 3.47Å; N142-T146 WeakPolarHBondContact O-CB 3.31Å; N142-T146 PolarHBondContact O-N 2.82Å; N142-T146 PolarHBondContact O-OG1 2.97Å
143	R	64.3	Low	68.8	Low	40 Å²	40	55.5 Å²	55.5	15%	0.151	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-49.3	166.6	-77.6	-174.8	177.1	117	7.8	111.7	L139 Q140 H141 F145 T146 E147 F180 Q183	L139-R143 WeakPolarHBondContact O-CG 3.39Å; L139-R143 PolarHBondContact O-N 3.29Å; Q140-R143 PolarHBondContact O-N 3.3Å; H141-R143 VanDerWaalsContact C-N 3.32Å; H141-R143 PolarHBondContact O-N 3.07Å; R143-F145 VanDerWaalsContact C-N 3.31Å; R143-F145 PolarHBondContact O-N 3.45Å; R143-T146 CarbonylContact O-C 3.57Å; R143-T146 PolarHBondContact O-N 2.89Å; R143-E147 WeakPolarHBondContact O-CB 3.37Å; R143-E147 WeakPolarHBondContact O-CG 3.3Å; R143-E147 PolarHBondContact O-N 2.79Å; R143-F180 PolarHBondContact NH2-O 2.75Å; R143-F180 VanDerWaalsContact NH2-O 3.16Å; R143-Q183 PolarHBondContact NH1-O 3.45Å; R143-Q183 PolarHBondContact NH2-O 2.8Å
144	A	68	Low	69	Low	57 Å²	57	54.6 Å²	54.6	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-42.2	179	0	0	0	0	0	112.3	Q140 H141 L148	Q140-A144 PolarHBondContact O-N 3.3Å; H141-A144 PolarHBondContact O-N 3.34Å; A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 PolarHBondContact O-N 2.97Å
145	F	70.6	Confident	68.9	Low	56 Å²	56	56.5 Å²	56.5	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-40.8	172.3	-76	-59.9	0	0	0	112.9	L89 L93 H141 R143 L148 L149	L89-F145 HydrophobicContact CD1-CE2 3.52Å; L89-F145 HydrophobicContact CD1-CZ 3.77Å; L89-F145 HydrophobicContact CD2-CZ 4.4Å; L89-F145 HydrophobicContact CG-CE2 4.08Å; L89-F145 HydrophobicContact CG-CZ 4.12Å; L93-F145 HydrophobicContact CD1-CE2 4.17Å; L93-F145 HydrophobicContact CD1-CZ 4.09Å; L93-F145 HydrophobicContact CD2-CD1 4.35Å; L93-F145 HydrophobicContact CD2-CD2 3.66Å; L93-F145 HydrophobicContact CD2-CE1 4.23Å; L93-F145 HydrophobicContact CD2-CE2 3.51Å; L93-F145 HydrophobicContact CD2-CG 4.09Å; L93-F145 HydrophobicContact CD2-CZ 3.82Å; L93-F145 HydrophobicContact CG-CD2 4.25Å; L93-F145 HydrophobicContact CG-CE2 3.71Å; L93-F145 HydrophobicContact CG-CZ 4.1Å; H141-F145 VanDerWaalsContact O-CD2 3.23Å; H141-F145 WeakPolarHBondContact O-CD2 3.43Å; H141-F145 PolarHBondContact O-N 3.04Å; R143-F145 VanDerWaalsContact C-N 3.31Å; R143-F145 PolarHBondContact O-N 3.45Å; F145-L148 PolarHBondContact O-N 3.31Å; F145-L149 VanDerWaalsContact O-CB 3.28Å; F145-L149 WeakPolarHBondContact O-CB 3.46Å; F145-L149 WeakPolarHBondContact O-CD1 3.25Å; F145-L149 WeakPolarHBondContact O-CG 3.35Å; F145-L149 PolarHBondContact O-N 3.25Å
146	T	65.6	Low	69	Low	26 Å²	26	61.3 Å²	61.3	16%	0.16	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-41.5	177.9	-57.3	0	0	0	0	111.5	N142 R143 L149 N150	N142-T146 WeakPolarHBondContact O-CB 3.31Å; N142-T146 PolarHBondContact O-N 2.82Å; N142-T146 PolarHBondContact O-OG1 2.97Å; R143-T146 CarbonylContact O-C 3.57Å; R143-T146 PolarHBondContact O-N 2.89Å; T146-L149 PolarHBondContact O-N 3.15Å; T146-N150 WeakPolarHBondContact O-CB 3.27Å; T146-N150 PolarHBondContact O-N 3.02Å; T146-N150 PolarHBondContact O-ND2 3.32Å
147	E	69.4	Low	68.8	Low	118 Å²	118	65 Å²	65	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-67	-42.4	176	-72.2	169.1	-158.4	0	0	111.5	R143 N150 A151	R143-E147 WeakPolarHBondContact O-CB 3.37Å; R143-E147 WeakPolarHBondContact O-CG 3.3Å; R143-E147 PolarHBondContact O-N 2.79Å; E147-N150 PolarHBondContact O-N 3.03Å; E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 2.76Å
148	L	74.8	Confident	68.3	Low	115 Å²	115	68.8 Å²	68.8	60%	0.602	41%	0.405	S	S	*	.	H	α-helix	trans	-62.7	-42.8	174	-177.1	65.5	0	0	0	112.1	A144 F145 A151 A152	A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 PolarHBondContact O-N 2.97Å; F145-L148 PolarHBondContact O-N 3.31Å; L148-A151 PolarHBondContact O-N 3Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.36Å; L148-A152 PolarHBondContact O-N 3.36Å
149	L	69.8	Low	67.2	Low	95 Å²	95	77.1 Å²	77.1	50%	0.497	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-38.5	175.9	-74.8	167.5	0	0	0	111.9	F145 T146 S153	F145-L149 VanDerWaalsContact O-CB 3.28Å; F145-L149 WeakPolarHBondContact O-CB 3.46Å; F145-L149 WeakPolarHBondContact O-CD1 3.25Å; F145-L149 WeakPolarHBondContact O-CG 3.35Å; F145-L149 PolarHBondContact O-N 3.25Å; T146-L149 PolarHBondContact O-N 3.15Å; L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.47Å; L149-S153 PolarHBondContact O-N 2.83Å; L149-S153 PolarHBondContact O-OG 2.83Å
150	N	67.2	Low	66.3	Low	93 Å²	93	77.9 Å²	77.9	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-67.9	-41.1	175.1	-72.7	-16.4	0	0	0	111.9	T146 E147 S154	T146-N150 WeakPolarHBondContact O-CB 3.27Å; T146-N150 PolarHBondContact O-N 3.02Å; T146-N150 PolarHBondContact O-ND2 3.32Å; E147-N150 PolarHBondContact O-N 3.03Å; N150-S154 WeakPolarHBondContact O-CB 3.46Å; N150-S154 PolarHBondContact O-N 2.86Å; N150-S154 PolarHBondContact O-OG 3.4Å
151	A	70.4	Confident	65.4	Low	58 Å²	58	83.9 Å²	83.9	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-45.3	175	0	0	0	0	0	111.3	E147 L148 S154 S155	E147-A151 WeakPolarHBondContact O-CB 3.39Å; E147-A151 PolarHBondContact O-N 2.76Å; L148-A151 PolarHBondContact O-N 3Å; A151-S154 PolarHBondContact O-N 3.09Å; A151-S155 PolarHBondContact O-N 3.06Å; A151-S155 PolarHBondContact O-OG 2.92Å
152	A	71.7	Confident	64.2	Low	38 Å²	38	91 Å²	91	31%	0.314	53%	0.527	S	S	.	.	H	α-helix	trans	-60.9	-47.6	174.9	0	0	0	0	0	111.5	L148 S154 S155 L156	L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.36Å; L148-A152 PolarHBondContact O-N 3.36Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.04Å; A152-S155 WeakPolarHBondContact CA-OG 3.48Å; A152-S155 PolarHBondContact O-N 3.23Å; A152-S155 VanDerWaalsContact O-N 3.11Å; A152-S155 PolarHBondContact O-OG 2.98Å; A152-L156 WeakPolarHBondContact O-CB 3.35Å; A152-L156 VanDerWaalsContact O-CG 3.28Å; A152-L156 WeakPolarHBondContact O-CG 3.28Å; A152-L156 PolarHBondContact O-N 3.33Å
153	S	70	Confident	62.6	Low	68 Å²	68	96.7 Å²	96.7	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-60.3	-40	176.7	-58.3	0	0	0	0	112.3	L149 L156 C157	L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.47Å; L149-S153 PolarHBondContact O-N 2.83Å; L149-S153 PolarHBondContact O-OG 2.83Å; S153-L156 PolarHBondContact O-N 3.4Å; S153-C157 PolarHBondContact O-N 3.43Å; S153-C157 VanDerWaalsContact O-N 3.16Å
154	S	70.1	Confident	61.6	Low	84 Å²	84	104 Å²	104	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-37.7	174.5	-58.4	0	0	0	0	112.4	N150 A151 A152	N150-S154 WeakPolarHBondContact O-CB 3.46Å; N150-S154 PolarHBondContact O-N 2.86Å; N150-S154 PolarHBondContact O-OG 3.4Å; A151-S154 PolarHBondContact O-N 3.09Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.04Å
155	S	69.6	Low	60	Low	83 Å²	83	104.6 Å²	104.6	58%	0.58	62%	0.619	S	S	*	*	H	α-helix	trans	-75.6	-25.9	176.9	71.1	0	0	0	0	113.9	A151 A152 P158	A151-S155 PolarHBondContact O-N 3.06Å; A151-S155 PolarHBondContact O-OG 2.92Å; A152-S155 WeakPolarHBondContact CA-OG 3.48Å; A152-S155 PolarHBondContact O-N 3.23Å; A152-S155 VanDerWaalsContact O-N 3.11Å; A152-S155 PolarHBondContact O-OG 2.98Å; S155-P158 WeakPolarHBondContact O-CG 3.46Å
156	L	70.4	Confident	58.6	Low	139 Å²	139	108.7 Å²	108.7	73%	0.728	65%	0.649	S	S	*	*	H	α-helix	trans	-81.7	-19	176.5	-71.3	167.6	0	0	0	113.2	A152 S153 P158	A152-L156 WeakPolarHBondContact O-CB 3.35Å; A152-L156 VanDerWaalsContact O-CG 3.28Å; A152-L156 WeakPolarHBondContact O-CG 3.28Å; A152-L156 PolarHBondContact O-N 3.33Å; S153-L156 PolarHBondContact O-N 3.4Å; L156-P158 VanDerWaalsContact C-CD 3.49Å
157	C	57	Low	56.9	Low	95 Å²	95	114.6 Å²	114.6	64%	0.642	68%	0.68	S	S	*	*			trans	-123.7	66.3	175.2	-71.9	0	0	0	0	113.6	S153 Q159	S153-C157 PolarHBondContact O-N 3.43Å; S153-C157 VanDerWaalsContact O-N 3.16Å; C157-Q159 PolarHBondContact O-N 2.81Å
158	P	54.4	Low	55.7	Low	95 Å²	95	114.3 Å²	114.3	62%	0.617	69%	0.688	S	S	*	*	S	Bend	trans	-65.8	-16.8	-177.5	-22.1	35	0	0	0	115.9	S155 L156	S155-P158 WeakPolarHBondContact O-CG 3.46Å; L156-P158 VanDerWaalsContact C-CD 3.49Å
159	Q	54.8	Low	53.9	Low	177 Å²	177	117 Å²	117	83%	0.827	70%	0.697	S	S	*	*			trans	-134.4	109.6	172.6	-79.4	90.9	10	0	0	111.5	C157	C157-Q159 PolarHBondContact O-N 2.81Å
160	G	47.1	Very low	52	Low	75 Å²	75	119.2 Å²	119.2	77%	0.773	71%	0.709	S	S	*	*			trans	-141.4	6.8	173.3	0	0	0	0	0	115
161	Q	46.8	Very low	50.5	Low	194 Å²	194	120.6 Å²	120.6	91%	0.907	72%	0.723	S	S	*	*	S	Bend	trans	-120.8	15.7	-170.4	-108.1	178.5	5.3	0	0	115.2
162	Q	46.6	Very low	48.6	Very low	193 Å²	193	123.3 Å²	123.3	90%	0.902	73%	0.734	S	S	*	*			trans	-127.5	57.4	173.2	-70.2	-167	-0.2	0	0	113.2
163	C	36.8	Very low	47.1	Very low	131 Å²	131	128.2 Å²	128.2	89%	0.885	76%	0.76	S	S	*	*			trans	-139.2	88.2	159.3	-84.1	0	0	0	0	110.3	G165	C163-G165 PolarHBondContact O-N 3.46Å; C163-G165 VanDerWaalsContact O-N 3.17Å
164	L	42.9	Very low	45.3	Very low	194 Å²	194	135 Å²	135	100%	1.016	78%	0.775	S	S	*	*			trans	-74.1	98.4	163.5	-81.6	165.8	0	0	0	108.7
165	G	34.3	Very low	43.8	Very low	69 Å²	69	135 Å²	135	71%	0.711	77%	0.773	S	S	*	*			trans	-141.6	122.4	177.8	0	0	0	0	0	110.9	C163 N167	C163-G165 PolarHBondContact O-N 3.46Å; C163-G165 VanDerWaalsContact O-N 3.17Å; G165-N167 PolarHBondContact O-N 3.27Å
166	T	40.3	Very low	42.3	Very low	142 Å²	142	137.9 Å²	137.9	87%	0.871	78%	0.775	S	S	*	*			trans	-72.4	121.6	-172	48.5	0	0	0	0	113.1
167	N	31.3	Very low	40.8	Very low	151 Å²	151	139 Å²	139	81%	0.807	78%	0.777	S	S	*	*			trans	-159.2	123	153.5	-123.6	-23.7	0	0	0	112.1	G165 H169	G165-N167 PolarHBondContact O-N 3.27Å; N167-H169 PolarHBondContact O-N 3.34Å
168	P	42.4	Very low	39.7	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	78%	0.783	S	S	*	*			trans	-91.5	18.2	-170.3	36.8	-37.2	0	0	0	115.4
169	H	38.4	Very low	39.1	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.796	78%	0.78	S	S	*	*			trans	-130.9	79.1	-179	-74.8	-58.8	0	0	0	113.6	N167	N167-H169 PolarHBondContact O-N 3.34Å
170	N	29.8	Very low	38.3	Very low	142 Å²	142	134 Å²	134	76%	0.759	76%	0.757	S	S	*	*			trans	-157.8	135.7	148.1	-116.8	-27.2	0	0	0	109	T172	N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.3Å
171	P	35.3	Very low	37.9	Very low	121 Å²	121	139.2 Å²	139.2	79%	0.786	76%	0.761	S	S	*	*			trans	-73.1	90.6	174.4	30.2	-32.4	0	0	0	109	V173	P171-V173 PolarHBondContact O-N 2.86Å
172	T	31	Very low	37.4	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	75%	0.749	S	S	*	*			trans	-56.7	124.6	179	32.9	0	0	0	0	110.7	N170 R174	N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.3Å; T172-R174 VanDerWaalsContact C-N 3.29Å; T172-R174 PolarHBondContact O-N 3.04Å
173	V	40.3	Very low	37.3	Very low	142 Å²	142	130.5 Å²	130.5	86%	0.861	74%	0.735	S	S	*	*			trans	-65	92.4	171.7	178.9	0	0	0	0	107.6	P171	P171-V173 PolarHBondContact O-N 2.86Å
174	R	31.9	Very low	38.1	Very low	211 Å²	211	127.2 Å²	127.2	80%	0.796	71%	0.71	S	S	*	*			trans	-65.1	127	169.7	-67.8	-177.2	177.9	-178.5	-1.9	107.9	T172 K176	T172-R174 VanDerWaalsContact C-N 3.29Å; T172-R174 PolarHBondContact O-N 3.04Å; R174-K176 PolarHBondContact O-N 2.95Å
175	P	37.7	Very low	39.4	Very low	83 Å²	83	118.5 Å²	118.5	54%	0.539	67%	0.665	S	S	.	*			trans	-57.7	139.4	167.1	26.1	-33.4	0	0	0	109	E177	P175-E177 HydrophobicContact CB-CG 3.99Å; P175-E177 HydrophobicContact CG-CG 3.95Å; P175-E177 WeakPolarHBondContact CG-OE1 3.13Å; P175-E177 PolarHBondContact O-N 3.45Å
176	K	39.9	Very low	41.5	Very low	143 Å²	143	118.1 Å²	118.1	62%	0.622	64%	0.643	S	S	*	*			trans	-78	50.9	-176.2	-78.5	175.5	164.4	-179.3	0	111.9	R174 G178 L179	R174-K176 PolarHBondContact O-N 2.95Å; K176-G178 PolarHBondContact O-N 3.31Å; K176-G178 VanDerWaalsContact O-N 3.09Å; K176-L179 HydrophobicContact CB-CB 4.43Å; K176-L179 HydrophobicContact CB-CD1 4.18Å; K176-L179 HydrophobicContact CD-CD1 3.75Å; K176-L179 HydrophobicContact CG-CD1 4.19Å; K176-L179 PolarHBondContact O-N 3.33Å
177	E	37.3	Very low	43.6	Very low	164 Å²	164	111.4 Å²	111.4	77%	0.766	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-25.8	-171.8	-66.5	171.3	165.7	0	0	113.6	P175	P175-E177 HydrophobicContact CB-CG 3.99Å; P175-E177 HydrophobicContact CG-CG 3.95Å; P175-E177 WeakPolarHBondContact CG-OE1 3.13Å; P175-E177 PolarHBondContact O-N 3.45Å
178	G	35.2	Very low	45.9	Very low	75 Å²	75	107.7 Å²	107.7	77%	0.773	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	1.1	179.8	0	0	0	0	0	116.9	K176	K176-G178 PolarHBondContact O-N 3.31Å; K176-G178 VanDerWaalsContact O-N 3.09Å
179	L	40.6	Very low	47.4	Very low	108 Å²	108	103.9 Å²	103.9	57%	0.565	56%	0.557	S	S	*	*	S	Bend	trans	-94.1	-9.9	-165.6	-120.6	164.6	0	0	0	116.3	K176	K176-L179 HydrophobicContact CB-CB 4.43Å; K176-L179 HydrophobicContact CB-CD1 4.18Å; K176-L179 HydrophobicContact CD-CD1 3.75Å; K176-L179 HydrophobicContact CG-CD1 4.19Å; K176-L179 PolarHBondContact O-N 3.33Å
180	F	37.8	Very low	49.5	Very low	78 Å²	78	98.2 Å²	98.2	34%	0.342	53%	0.531	S	S	.	.	S	Bend	trans	-123.1	2.1	-173.1	-76	-74.7	0	0	0	116.3	R143 A182	R143-F180 PolarHBondContact NH2-O 2.75Å; R143-F180 VanDerWaalsContact NH2-O 3.16Å; F180-A182 PolarHBondContact O-N 2.99Å
181	Q	38.5	Very low	52.3	Low	184 Å²	184	91.7 Å²	91.7	86%	0.86	50%	0.496	S	S	*	.	S	Bend	trans	-78.1	116.9	-175.1	-154.9	168.9	33.9	0	0	112.3
182	A	37.8	Very low	54.9	Low	79 Å²	79	91.4 Å²	91.4	65%	0.653	48%	0.484	S	S	*	.	S	Bend	trans	67.9	56.3	163.9	0	0	0	0	0	119.6	F180	F180-A182 PolarHBondContact O-N 2.99Å
183	Q	44.4	Very low	57.9	Low	126 Å²	126	90 Å²	90	59%	0.589	47%	0.47	S	S	*	.			trans	-121.8	93.7	133.9	-74.4	-169.2	-16.6	0	0	108.4	R143	R143-Q183 PolarHBondContact NH1-O 3.45Å; R143-Q183 PolarHBondContact NH2-O 2.8Å
184	T	53.4	Low	60.5	Low	61 Å²	61	87.5 Å²	87.5	37%	0.374	45%	0.45	S	S	.	.			trans	-99.6	-18.7	-172	42.6	0	0	0	0	113.8	Y347	T184-Y347 WeakPolarHBondContact CB-OH 3.41Å; T184-Y347 PolarHBondContact OG1-OH 3.13Å
185	S	70.6	Confident	63.3	Low	11 Å²	11	80.3 Å²	80.3	8%	0.077	43%	0.432	C	S	.	.			trans	-144.8	131.6	-177.5	161.6	0	0	0	0	107.1	Y187 L188 S189 E259	S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 WeakPolarHBondContact OG-CB 3.48Å; S185-Y187 PolarHBondContact OG-N 3.45Å; S185-L188 PolarHBondContact O-N 2.95Å; S185-L188 PolarHBondContact OG-N 3.21Å; S185-L188 VanDerWaalsContact OG-N 3.14Å; S185-S189 PolarHBondContact O-N 3.41Å; S185-S189 PolarHBondContact O-OG 3.15Å; S185-E259 WeakPolarHBondContact CA-OE2 3.48Å; S185-E259 WeakPolarHBondContact CB-OE2 3.32Å; S185-E259 VanDerWaalsContact OG-CD 3.3Å; S185-E259 PolarHBondContact OG-OE1 3.32Å; S185-E259 PolarHBondContact OG-OE2 3.37Å
186	R	78.4	Confident	65.9	Low	61 Å²	61	82.8 Å²	82.8	23%	0.23	43%	0.43	C	S	.	.	H	α-helix	trans	-64.3	-38.9	176.1	179.8	-176.6	175.1	-142.1	-19.8	109.5	T136 S189 E190 E259	T136-R186 HydrophobicContact CG2-CB 4Å; R186-S189 WeakPolarHBondContact CA-OG 3.27Å; R186-S189 PolarHBondContact O-N 3.45Å; R186-S189 PolarHBondContact O-OG 3.28Å; R186-E190 HydrophobicContact CG-CG 4.32Å; R186-E190 VanDerWaalsContact CG-OE1 3.25Å; R186-E190 WeakPolarHBondContact CG-OE1 3.44Å; R186-E190 IonicContact CZ-OE1 2.85Å; R186-E190 IonicContact CZ-OE2 2.96Å; R186-E190 VanDerWaalsContact CZ-OE2 3.26Å; R186-E190 IonicContact NE-OE1 3.86Å; R186-E190 PolarHBondContact NE-OE1 3.03Å; R186-E190 IonicContact NE-OE2 3.72Å; R186-E190 PolarHBondContact NE-OE2 3.01Å; R186-E190 IonicContact NH2-OE1 2.61Å; R186-E190 IonicContact NH2-OE2 3.73Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å; R186-E190 WeakPolarHBondContact O-CB 3.33Å; R186-E190 PolarHBondContact O-N 2.95Å; R186-E259 WeakPolarHBondContact CA-OE1 3.45Å; R186-E259 WeakPolarHBondContact CB-OE1 3.4Å; R186-E259 PolarHBondContact N-OE1 3.3Å
187	Y	83.9	Confident	68.2	Low	2 Å²	2	80.1 Å²	80.1	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-55.3	-53	172	-175.4	-96.6	0	0	0	112	S185 S189 F191 E193 V208 V219 K221 W257 E259 Y418	S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 WeakPolarHBondContact OG-CB 3.48Å; S185-Y187 PolarHBondContact OG-N 3.45Å; Y187-S189 VanDerWaalsContact C-N 3.34Å; Y187-S189 PolarHBondContact O-N 3.49Å; Y187-F191 HydrophobicContact CD2-CD2 4.33Å; Y187-F191 WeakPolarHBondContact O-CA 3.48Å; Y187-F191 WeakPolarHBondContact O-CB 3.42Å; Y187-F191 PolarHBondContact O-N 3.4Å; Y187-E193 HydrophobicContact CE1-CB 4.43Å; Y187-E193 WeakPolarHBondContact CE1-OE2 3.48Å; Y187-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y187-E193 PolarHBondContact OH-OE2 3.4Å; Y187-V208 HydrophobicContact CE2-CG1 3.82Å; Y187-V208 WeakPolarHBondContact OH-CG1 3.4Å; Y187-V219 HydrophobicContact CD2-CG1 4.08Å; Y187-V219 HydrophobicContact CE2-CB 3.98Å; Y187-V219 HydrophobicContact CE2-CG1 3.73Å; Y187-V219 HydrophobicContact CE2-CG2 4.27Å; Y187-K221 WeakPolarHBondContact OH-CE 3.31Å; Y187-K221 PolarHBondContact OH-NZ 3.34Å; Y187-W257 HydrophobicContact CD2-CH2 4.48Å; Y187-W257 HydrophobicContact CD2-CZ2 4.07Å; Y187-E259 PolarHBondContact N-OE1 2.89Å; Y187-Y418 VanDerWaalsContact CB-CE1 3.43Å; Y187-Y418 HydrophobicContact CD1-CE1 4.03Å; Y187-Y418 AromaticContact CD2-CD1 3.43Å; Y187-Y418 HydrophobicContact CD2-CD1 3.43Å; Y187-Y418 VanDerWaalsContact CD2-CD1 3.43Å; Y187-Y418 AromaticContact CD2-CE1 3.49Å; Y187-Y418 HydrophobicContact CD2-CE1 3.49Å; Y187-Y418 VanDerWaalsContact CD2-CE1 3.49Å; Y187-Y418 HydrophobicContact CE2-CD1 4.14Å; Y187-Y418 HydrophobicContact CE2-CE1 4.21Å; Y187-Y418 AromaticContact CG-CD1 3.8Å; Y187-Y418 HydrophobicContact CG-CD1 3.8Å; Y187-Y418 AromaticContact CG-CE1 3.37Å; Y187-Y418 HydrophobicContact CG-CE1 3.37Å
188	L	80.3	Confident	70.2	Confident	72 Å²	72	73.6 Å²	73.6	38%	0.377	40%	0.399	S	S	.	.	H	α-helix	trans	-70.6	-25.2	-178.9	-63	178.1	0	0	0	113.7	S185 K211 Y347	S185-L188 PolarHBondContact O-N 2.95Å; S185-L188 PolarHBondContact OG-N 3.21Å; S185-L188 VanDerWaalsContact OG-N 3.14Å; L188-K211 PolarHBondContact O-NZ 2.96Å; L188-Y347 HydrophobicContact CD1-CD2 3.95Å; L188-Y347 HydrophobicContact CD1-CE2 3.87Å
189	S	73.8	Confident	72.2	Confident	31 Å²	31	78.1 Å²	78.1	22%	0.217	40%	0.397	C	S	.	.	H	α-helix	trans	-76.8	-53	173.5	55.2	0	0	0	0	112.2	S185 R186 Y187 K211	S185-S189 PolarHBondContact O-N 3.41Å; S185-S189 PolarHBondContact O-OG 3.15Å; R186-S189 WeakPolarHBondContact CA-OG 3.27Å; R186-S189 PolarHBondContact O-N 3.45Å; R186-S189 PolarHBondContact O-OG 3.28Å; Y187-S189 VanDerWaalsContact C-N 3.34Å; Y187-S189 PolarHBondContact O-N 3.49Å; S189-K211 PolarHBondContact O-NZ 3.08Å
190	E	82.4	Confident	73.3	Confident	53 Å²	53	74.7 Å²	74.7	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-80.8	-29.4	-172.1	-69.9	174.1	-158.4	0	0	113	R186 N210 K211	R186-E190 HydrophobicContact CG-CG 4.32Å; R186-E190 VanDerWaalsContact CG-OE1 3.25Å; R186-E190 WeakPolarHBondContact CG-OE1 3.44Å; R186-E190 IonicContact CZ-OE1 2.85Å; R186-E190 IonicContact CZ-OE2 2.96Å; R186-E190 VanDerWaalsContact CZ-OE2 3.26Å; R186-E190 IonicContact NE-OE1 3.86Å; R186-E190 PolarHBondContact NE-OE1 3.03Å; R186-E190 IonicContact NE-OE2 3.72Å; R186-E190 PolarHBondContact NE-OE2 3.01Å; R186-E190 IonicContact NH2-OE1 2.61Å; R186-E190 IonicContact NH2-OE2 3.73Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å; R186-E190 WeakPolarHBondContact O-CB 3.33Å; R186-E190 PolarHBondContact O-N 2.95Å; E190-N210 PolarHBondContact O-OD1 3.1Å; E190-K211 WeakPolarHBondContact O-CG 3.29Å; E190-K211 PolarHBondContact O-N 3.38Å
191	F	88	Confident	74.1	Confident	5 Å²	5	75.5 Å²	75.5	2%	0.022	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.5	-169.6	-57.4	-88.9	0	0	0	113.9	Y187 V208 V209 N210 K211 Y217 W257	Y187-F191 HydrophobicContact CD2-CD2 4.33Å; Y187-F191 WeakPolarHBondContact O-CA 3.48Å; Y187-F191 WeakPolarHBondContact O-CB 3.42Å; Y187-F191 PolarHBondContact O-N 3.4Å; F191-V208 HydrophobicContact CB-CB 4.11Å; F191-V208 HydrophobicContact CB-CG2 4.33Å; F191-V208 HydrophobicContact CD1-CB 4.17Å; F191-V208 HydrophobicContact CD1-CG2 3.49Å; F191-V208 VanDerWaalsContact CD1-CG2 3.49Å; F191-V208 HydrophobicContact CE1-CG2 4.16Å; F191-V208 HydrophobicContact CG-CG2 4.18Å; F191-V209 CarbonylContact C-O 3.57Å; F191-V209 WeakPolarHBondContact CA-O 3.31Å; F191-N210 HydrophobicContact CD1-CB 3.95Å; F191-N210 HydrophobicContact CE1-CB 3.83Å; F191-K211 WeakPolarHBondContact O-CE 3.34Å; F191-K211 PolarHBondContact O-NZ 3.44Å; F191-Y217 HydrophobicContact CE1-CD2 4.33Å; F191-W257 HydrophobicContact CD2-CH2 4.12Å; F191-W257 HydrophobicContact CD2-CZ2 4.36Å; F191-W257 AromaticContact CE2-CH2 3.45Å; F191-W257 HydrophobicContact CE2-CH2 3.45Å; F191-W257 VanDerWaalsContact CE2-CH2 3.45Å; F191-W257 AromaticContact CE2-CZ2 3.99Å; F191-W257 HydrophobicContact CE2-CZ2 3.99Å; F191-W257 HydrophobicContact CE2-CZ3 4.25Å; F191-W257 HydrophobicContact CZ-CH2 4.01Å
192	E	90.8	Very high	75.1	Confident	116 Å²	116	71.3 Å²	71.3	54%	0.542	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	165	-172.8	167.9	177.7	0	0	109	I194 V208 V209	E192-I194 HydrophobicContact CG-CD1 4.23Å; E192-V208 CarbonylContact O-C 3.33Å; E192-V208 WeakPolarHBondContact O-CA 3.42Å; E192-V208 WeakPolarHBondContact O-CB 3.42Å; E192-V209 PolarHBondContact N-O 3.43Å; E192-V209 PolarHBondContact O-N 2.88Å
193	E	93.6	Very high	76.9	Confident	86 Å²	86	68.3 Å²	68.3	40%	0.402	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.4	-178.2	-178.2	166.8	132.9	0	0	110.4	Y187 F206 K221	Y187-E193 HydrophobicContact CE1-CB 4.43Å; Y187-E193 WeakPolarHBondContact CE1-OE2 3.48Å; Y187-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y187-E193 PolarHBondContact OH-OE2 3.4Å; E193-F206 VanDerWaalsContact CD-CD1 3.43Å; E193-F206 HydrophobicContact CG-CB 4.34Å; E193-F206 HydrophobicContact CG-CD1 3.87Å; E193-F206 HydrophobicContact CG-CG 4.34Å; E193-F206 WeakPolarHBondContact OE1-CD1 3.45Å; E193-F206 WeakPolarHBondContact OE1-CE1 3.22Å; E193-K221 IonicContact OE1-NZ 3.58Å; E193-K221 IonicContact OE2-NZ 2.72Å; E193-K221 PolarHBondContact OE2-NZ 3.25Å
194	I	93.8	Very high	78.9	Confident	88 Å²	88	64.8 Å²	64.8	45%	0.451	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-54.1	-174.5	-53.2	-50.3	0	0	0	110.9	E192 K207 V209	E192-I194 HydrophobicContact CG-CD1 4.23Å; I194-K207 HydrophobicContact CB-CG 4.28Å; I194-K207 HydrophobicContact CG1-CG 4.48Å; I194-K207 PolarHBondContact N-O 2.81Å; I194-V209 HydrophobicContact CD1-CB 4.49Å; I194-V209 HydrophobicContact CD1-CG2 3.98Å; I194-V209 HydrophobicContact CG1-CG2 3.9Å
195	C	92.1	Very high	80.7	Confident	60 Å²	60	63.9 Å²	63.9	41%	0.405	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	163.2	-179.6	64.5	0	0	0	0	111.6	F206 K207	C195-F206 CarbonylContact O-C 3.54Å; C195-F206 VanDerWaalsContact O-CA 3.31Å; C195-F206 WeakPolarHBondContact O-CA 3.38Å; C195-K207 PolarHBondContact N-O 3.02Å; C195-K207 PolarHBondContact O-N 3.22Å
196	R	91.4	Very high	81.8	Confident	135 Å²	135	64.4 Å²	64.4	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.7	171.9	-172.8	-170.7	-171.1	173.4	9.4	109.6	G198 N204 V205 F206	R196-G198 PolarHBondContact NE-O 2.74Å; R196-N204 PolarHBondContact NH2-OD1 3.05Å; R196-V205 CarbonylContact C-O 3.58Å; R196-F206 HydrophobicContact CB-CD1 3.88Å; R196-F206 HydrophobicContact CB-CE1 3.83Å; R196-F206 HydrophobicContact CG-CD1 4.23Å; R196-F206 HydrophobicContact CG-CE1 3.99Å; R196-F206 HydrophobicContact CG-CZ 4.4Å
197	L	87.7	Confident	82.6	Confident	88 Å²	88	64.6 Å²	64.6	46%	0.461	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-30.8	175	-65.3	171	0	0	0	112	V205 K207 A218 L423	L197-V205 HydrophobicContact CB-CB 4.42Å; L197-V205 HydrophobicContact CB-CG1 4.27Å; L197-V205 HydrophobicContact CD1-CG1 4.24Å; L197-V205 PolarHBondContact N-O 3.28Å; L197-K207 HydrophobicContact CD1-CB 4.02Å; L197-K207 HydrophobicContact CD2-CB 4.11Å; L197-K207 HydrophobicContact CG-CB 4Å; L197-A218 HydrophobicContact CD1-CB 4.16Å; L197-L423 HydrophobicContact CD1-CD1 3.58Å
198	G	78.9	Confident	83.1	Confident	27 Å²	27	64.5 Å²	64.5	28%	0.278	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-179.1	179.9	0	0	0	0	0	116.9	R196 V205	R196-G198 PolarHBondContact NE-O 2.74Å; G198-V205 PolarHBondContact N-O 2.94Å; G198-V205 VanDerWaalsContact N-O 3.16Å; G198-V205 PolarHBondContact O-N 3Å; G198-V205 VanDerWaalsContact O-N 3.1Å
199	K	77.3	Confident	83.8	Confident	169 Å²	169	62.6 Å²	62.6	74%	0.735	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	120	170.9	-172.5	-173.2	-176.1	-171	0	108.2
200	G	64.3	Low	84.5	Confident	36 Å²	36	61.9 Å²	61.9	37%	0.371	33%	0.325	S	S	.	.			trans	-101.9	-176.9	170.1	0	0	0	0	0	111.6	Y202 G203	G200-Y202 VanDerWaalsContact C-N 3.33Å; G200-G203 PolarHBondContact N-O 3.43Å
201	S	54.5	Low	84.6	Confident	95 Å²	95	64.2 Å²	64.2	66%	0.664	33%	0.334	S	S	*	.	S	Bend	trans	-60	-41.9	170.6	44.7	0	0	0	0	112.2
202	Y	60.7	Low	84	Confident	97 Å²	97	71.1 Å²	71.1	38%	0.38	37%	0.37	S	S	.	.	S	Bend	trans	-89.1	-12.3	-174.2	-57.6	-66.8	0	0	0	114.8	G200 I222 L502	G200-Y202 VanDerWaalsContact C-N 3.33Å; Y202-I222 WeakPolarHBondContact O-CA 3.2Å; Y202-I222 WeakPolarHBondContact O-CG2 3.26Å; Y202-L502 VanDerWaalsContact OH-CD2 3.32Å; Y202-L502 WeakPolarHBondContact OH-CD2 3.44Å
203	G	74.7	Confident	83.7	Confident	15 Å²	15	68.9 Å²	68.9	16%	0.155	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-161.5	-172.2	0	0	0	0	0	116.7	G200 K221	G200-G203 PolarHBondContact N-O 3.43Å; G203-K221 CarbonylContact C-O 3.57Å; G203-K221 WeakPolarHBondContact CA-O 3.41Å
204	N	86.5	Confident	83.3	Confident	53 Å²	53	67.2 Å²	67.2	28%	0.283	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.9	-176.9	-63.4	-46.2	0	0	0	110	R196 F206 K221	R196-N204 PolarHBondContact NH2-OD1 3.05Å; N204-F206 HydrophobicContact CB-CD2 4.24Å; N204-F206 HydrophobicContact CB-CE2 3.41Å; N204-F206 VanDerWaalsContact CB-CE2 3.41Å; N204-F206 HydrophobicContact CB-CZ 3.9Å; N204-K221 PolarHBondContact N-O 3.32Å; N204-K221 PolarHBondContact O-N 3.16Å
205	V	90.6	Very high	83.2	Confident	41 Å²	41	68.4 Å²	68.4	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.6	174.8	-171.5	0	0	0	0	109.1	R196 L197 G198 A218 V219 K220	R196-V205 CarbonylContact C-O 3.58Å; L197-V205 HydrophobicContact CB-CB 4.42Å; L197-V205 HydrophobicContact CB-CG1 4.27Å; L197-V205 HydrophobicContact CD1-CG1 4.24Å; L197-V205 PolarHBondContact N-O 3.28Å; G198-V205 PolarHBondContact N-O 2.94Å; G198-V205 VanDerWaalsContact N-O 3.16Å; G198-V205 PolarHBondContact O-N 3Å; G198-V205 VanDerWaalsContact O-N 3.1Å; V205-A218 HydrophobicContact CG1-CB 4.25Å; V205-V219 WeakPolarHBondContact CA-O 3.28Å; V205-K220 HydrophobicContact CG2-CB 4.17Å; V205-K220 HydrophobicContact CG2-CG 4.07Å
206	F	93.4	Very high	83.3	Confident	22 Å²	22	67.7 Å²	67.7	10%	0.096	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.6	-179.2	-63.3	-93.3	0	0	0	111.2	E193 C195 R196 N204 V208 A218 V219 K221	E193-F206 VanDerWaalsContact CD-CD1 3.43Å; E193-F206 HydrophobicContact CG-CB 4.34Å; E193-F206 HydrophobicContact CG-CD1 3.87Å; E193-F206 HydrophobicContact CG-CG 4.34Å; E193-F206 WeakPolarHBondContact OE1-CD1 3.45Å; E193-F206 WeakPolarHBondContact OE1-CE1 3.22Å; C195-F206 CarbonylContact O-C 3.54Å; C195-F206 VanDerWaalsContact O-CA 3.31Å; C195-F206 WeakPolarHBondContact O-CA 3.38Å; R196-F206 HydrophobicContact CB-CD1 3.88Å; R196-F206 HydrophobicContact CB-CE1 3.83Å; R196-F206 HydrophobicContact CG-CD1 4.23Å; R196-F206 HydrophobicContact CG-CE1 3.99Å; R196-F206 HydrophobicContact CG-CZ 4.4Å; N204-F206 HydrophobicContact CB-CD2 4.24Å; N204-F206 HydrophobicContact CB-CE2 3.41Å; N204-F206 VanDerWaalsContact CB-CE2 3.41Å; N204-F206 HydrophobicContact CB-CZ 3.9Å; F206-V208 HydrophobicContact CB-CG1 4.32Å; F206-A218 CarbonylContact O-C 3.48Å; F206-A218 WeakPolarHBondContact O-CA 3.22Å; F206-V219 PolarHBondContact N-O 2.91Å; F206-V219 PolarHBondContact O-N 2.87Å; F206-K221 HydrophobicContact CD2-CD 3.84Å; F206-K221 VanDerWaalsContact CD2-CE 3.48Å; F206-K221 HydrophobicContact CD2-CG 4.06Å; F206-K221 HydrophobicContact CE2-CD 3.64Å; F206-K221 HydrophobicContact CE2-CG 4.14Å
207	K	95.3	Very high	83.5	Confident	65 Å²	65	62.8 Å²	62.8	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.4	161.2	178.8	173.1	179.1	173.3	0	107.6	I194 C195 L197 S216 Y217 L423	I194-K207 HydrophobicContact CB-CG 4.28Å; I194-K207 HydrophobicContact CG1-CG 4.48Å; I194-K207 PolarHBondContact N-O 2.81Å; C195-K207 PolarHBondContact N-O 3.02Å; C195-K207 PolarHBondContact O-N 3.22Å; L197-K207 HydrophobicContact CD1-CB 4.02Å; L197-K207 HydrophobicContact CD2-CB 4.11Å; L197-K207 HydrophobicContact CG-CB 4Å; K207-S216 WeakPolarHBondContact CE-OG 3.42Å; K207-Y217 WeakPolarHBondContact CA-O 3.36Å; K207-L423 HydrophobicContact CD-CD2 3.83Å; K207-L423 HydrophobicContact CG-CD1 4.45Å; K207-L423 HydrophobicContact CG-CD2 4Å
208	V	95.5	Very high	83.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.2	176.7	-55.7	0	0	0	0	110.7	Y187 F191 E192 F206 S216 Y217 V219	Y187-V208 HydrophobicContact CE2-CG1 3.82Å; Y187-V208 WeakPolarHBondContact OH-CG1 3.4Å; F191-V208 HydrophobicContact CB-CB 4.11Å; F191-V208 HydrophobicContact CB-CG2 4.33Å; F191-V208 HydrophobicContact CD1-CB 4.17Å; F191-V208 HydrophobicContact CD1-CG2 3.49Å; F191-V208 VanDerWaalsContact CD1-CG2 3.49Å; F191-V208 HydrophobicContact CE1-CG2 4.16Å; F191-V208 HydrophobicContact CG-CG2 4.18Å; E192-V208 CarbonylContact O-C 3.33Å; E192-V208 WeakPolarHBondContact O-CA 3.42Å; E192-V208 WeakPolarHBondContact O-CB 3.42Å; F206-V208 HydrophobicContact CB-CG1 4.32Å; V208-S216 CarbonylContact O-C 3.6Å; V208-S216 VanDerWaalsContact O-CA 3.27Å; V208-S216 WeakPolarHBondContact O-CA 3.41Å; V208-Y217 PolarHBondContact N-O 3.19Å; V208-Y217 PolarHBondContact O-N 3.24Å; V208-V219 HydrophobicContact CG1-CB 4.32Å; V208-V219 HydrophobicContact CG1-CG2 4.24Å; V208-V219 HydrophobicContact CG2-CB 4.48Å; V208-V219 HydrophobicContact CG2-CG2 3.61Å
209	V	94.3	Very high	84.6	Confident	33 Å²	33	57.8 Å²	57.8	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131	164.1	174.2	0	0	0	0	108.4	F191 E192 I194 Q215	F191-V209 CarbonylContact C-O 3.57Å; F191-V209 WeakPolarHBondContact CA-O 3.31Å; E192-V209 PolarHBondContact N-O 3.43Å; E192-V209 PolarHBondContact O-N 2.88Å; I194-V209 HydrophobicContact CD1-CB 4.49Å; I194-V209 HydrophobicContact CD1-CG2 3.98Å; I194-V209 HydrophobicContact CG1-CG2 3.9Å; V209-Q215 WeakPolarHBondContact CA-O 3.39Å
210	N	88.7	Confident	85.3	Confident	15 Å²	15	50.3 Å²	50.3	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129	170.4	175.5	-9.7	0	0	0	109.2	E190 F191 L212 D213 G214 Q215 Y217	E190-N210 PolarHBondContact O-OD1 3.1Å; F191-N210 HydrophobicContact CD1-CB 3.95Å; F191-N210 HydrophobicContact CE1-CB 3.83Å; N210-L212 PolarHBondContact O-N 3.04Å; N210-L212 PolarHBondContact OD1-N 2.91Å; N210-D213 WeakPolarHBondContact CB-OD1 3.33Å; N210-D213 PolarHBondContact ND2-OD2 3.19Å; N210-G214 VanDerWaalsContact O-CA 3.3Å; N210-G214 WeakPolarHBondContact O-CA 3.23Å; N210-G214 PolarHBondContact O-N 3.35Å; N210-Q215 PolarHBondContact N-O 3.29Å; N210-Y217 HydrophobicContact CB-CD2 4.08Å; N210-Y217 HydrophobicContact CB-CE2 3.89Å
211	K	83.6	Confident	86.5	Confident	102 Å²	102	49.9 Å²	49.9	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.9	-173.4	-56.6	-170.8	-164.6	95.8	0	114.2	L188 S189 E190 F191	L188-K211 PolarHBondContact O-NZ 2.96Å; S189-K211 PolarHBondContact O-NZ 3.08Å; E190-K211 WeakPolarHBondContact O-CG 3.29Å; E190-K211 PolarHBondContact O-N 3.38Å; F191-K211 WeakPolarHBondContact O-CE 3.34Å; F191-K211 PolarHBondContact O-NZ 3.44Å
212	L	76.9	Confident	87.9	Confident	151 Å²	151	45.6 Å²	45.6	79%	0.791	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-41.5	-179.3	-60.8	178.8	0	0	0	113	N210	N210-L212 PolarHBondContact O-N 3.04Å; N210-L212 PolarHBondContact OD1-N 2.91Å
213	D	84.4	Confident	88.9	Confident	69 Å²	69	44.4 Å²	44.4	37%	0.369	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-11.9	-177.9	57.8	41	0	0	0	113.5	N210 Q215	N210-D213 WeakPolarHBondContact CB-OD1 3.33Å; N210-D213 PolarHBondContact ND2-OD2 3.19Å; D213-Q215 HydrophobicContact CB-CG 4.21Å; D213-Q215 PolarHBondContact O-N 2.82Å; D213-Q215 VanDerWaalsContact OD1-CB 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.49Å; D213-Q215 PolarHBondContact OD1-N 2.96Å
214	G	84	Confident	89	Confident	51 Å²	51	44.2 Å²	44.2	53%	0.526	24%	0.238	S	C	.	.			trans	73.8	4.1	-178.5	0	0	0	0	0	114.8	N210	N210-G214 VanDerWaalsContact O-CA 3.3Å; N210-G214 WeakPolarHBondContact O-CA 3.23Å; N210-G214 PolarHBondContact O-N 3.35Å
215	Q	91.7	Very high	88.1	Confident	112 Å²	112	48 Å²	48	52%	0.523	25%	0.252	S	S	.	.			trans	-87	149.4	-171.5	-58.4	-58.1	-26.7	0	0	112.7	V209 N210 D213 Y217	V209-Q215 WeakPolarHBondContact CA-O 3.39Å; N210-Q215 PolarHBondContact N-O 3.29Å; D213-Q215 HydrophobicContact CB-CG 4.21Å; D213-Q215 PolarHBondContact O-N 2.82Å; D213-Q215 VanDerWaalsContact OD1-CB 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.49Å; D213-Q215 PolarHBondContact OD1-N 2.96Å; Q215-Y217 HydrophobicContact CB-CE2 3.71Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.32Å
216	S	95.5	Very high	86.8	Confident	45 Å²	45	55.2 Å²	55.2	32%	0.315	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.9	178.4	-70.6	0	0	0	0	112.1	K207 V208	K207-S216 WeakPolarHBondContact CE-OG 3.42Å; V208-S216 CarbonylContact O-C 3.6Å; V208-S216 VanDerWaalsContact O-CA 3.27Å; V208-S216 WeakPolarHBondContact O-CA 3.41Å
217	Y	95.6	Very high	85.2	Confident	32 Å²	32	58.2 Å²	58.2	13%	0.125	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.5	178.9	-63.9	-76.8	0	0	0	111.9	F191 K207 V208 N210 Q215 H254 Q420	F191-Y217 HydrophobicContact CE1-CD2 4.33Å; K207-Y217 WeakPolarHBondContact CA-O 3.36Å; V208-Y217 PolarHBondContact N-O 3.19Å; V208-Y217 PolarHBondContact O-N 3.24Å; N210-Y217 HydrophobicContact CB-CD2 4.08Å; N210-Y217 HydrophobicContact CB-CE2 3.89Å; Q215-Y217 HydrophobicContact CB-CE2 3.71Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.32Å; Y217-H254 AromaticContact CD1-CD2 3.96Å; Y217-H254 AromaticContact CD1-NE2 3.97Å; Y217-H254 AromaticContact CE1-CD2 3.87Å; Y217-H254 AromaticContact CE1-CE1 3.66Å; Y217-H254 AromaticContact CE1-NE2 3.54Å; Y217-Q420 HydrophobicContact CD1-CG 4.12Å; Y217-Q420 VanDerWaalsContact CD1-NE2 3.32Å; Y217-Q420 VanDerWaalsContact CD2-NE2 3.27Å; Y217-Q420 HydrophobicContact CG-CG 4.03Å
218	A	95.3	Very high	83.5	Confident	10 Å²	10	56.9 Å²	56.9	8%	0.083	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.5	162.6	0	0	0	0	0	109	L197 V205 F206 M421 L423	L197-A218 HydrophobicContact CD1-CB 4.16Å; V205-A218 HydrophobicContact CG1-CB 4.25Å; F206-A218 CarbonylContact O-C 3.48Å; F206-A218 WeakPolarHBondContact O-CA 3.22Å; A218-M421 HydrophobicContact CB-CB 4.45Å; A218-M421 PolarHBondContact N-O 3.34Å; A218-M421 PolarHBondContact O-N 2.93Å; A218-L423 HydrophobicContact CB-CD1 4.2Å
219	V	94	Very high	81.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	172.9	177.4	0	0	0	0	110.5	Y187 V205 F206 V208 K221 Y418 I419 Q420	Y187-V219 HydrophobicContact CD2-CG1 4.08Å; Y187-V219 HydrophobicContact CE2-CB 3.98Å; Y187-V219 HydrophobicContact CE2-CG1 3.73Å; Y187-V219 HydrophobicContact CE2-CG2 4.27Å; V205-V219 WeakPolarHBondContact CA-O 3.28Å; F206-V219 PolarHBondContact N-O 2.91Å; F206-V219 PolarHBondContact O-N 2.87Å; V208-V219 HydrophobicContact CG1-CB 4.32Å; V208-V219 HydrophobicContact CG1-CG2 4.24Å; V208-V219 HydrophobicContact CG2-CB 4.48Å; V208-V219 HydrophobicContact CG2-CG2 3.61Å; V219-K221 HydrophobicContact CG1-CG 4.41Å; V219-Y418 HydrophobicContact CG1-CD1 3.95Å; V219-I419 VanDerWaalsContact CA-O 3.31Å; V219-I419 WeakPolarHBondContact CA-O 3.44Å; V219-Q420 HydrophobicContact CG2-CB 4.25Å; V219-Q420 HydrophobicContact CG2-CG 4.32Å
220	K	91.2	Very high	80	Confident	12 Å²	12	63.3 Å²	63.3	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.1	173.8	-174.5	175.5	-179.7	-173	0	109	V205 I222 E238 Y418 I419 D499	V205-K220 HydrophobicContact CG2-CB 4.17Å; V205-K220 HydrophobicContact CG2-CG 4.07Å; K220-I222 HydrophobicContact CD-CD1 4.23Å; K220-I222 HydrophobicContact CG-CD1 4.22Å; K220-I222 HydrophobicContact CG-CG1 4.2Å; K220-E238 IonicContact NZ-OE1 3.67Å; K220-E238 PolarHBondContact NZ-OE1 3.11Å; K220-E238 IonicContact NZ-OE2 2.75Å; K220-E238 PolarHBondContact NZ-OE2 3.37Å; K220-Y418 WeakPolarHBondContact O-CA 3.35Å; K220-I419 HydrophobicContact CB-CB 4.38Å; K220-I419 PolarHBondContact N-O 3.27Å; K220-I419 PolarHBondContact O-N 3.25Å; K220-D499 IonicContact NZ-OD1 2.66Å; K220-D499 PolarHBondContact NZ-OD1 3.24Å
221	K	89.8	Confident	78.8	Confident	27 Å²	27	65.6 Å²	65.6	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.4	178.5	-55.7	-173	-166.6	163.2	0	110.3	Y187 E193 G203 N204 F206 V219 M416 L417 Y418	Y187-K221 WeakPolarHBondContact OH-CE 3.31Å; Y187-K221 PolarHBondContact OH-NZ 3.34Å; E193-K221 IonicContact OE1-NZ 3.58Å; E193-K221 IonicContact OE2-NZ 2.72Å; E193-K221 PolarHBondContact OE2-NZ 3.25Å; G203-K221 CarbonylContact C-O 3.57Å; G203-K221 WeakPolarHBondContact CA-O 3.41Å; N204-K221 PolarHBondContact N-O 3.32Å; N204-K221 PolarHBondContact O-N 3.16Å; F206-K221 HydrophobicContact CD2-CD 3.84Å; F206-K221 VanDerWaalsContact CD2-CE 3.48Å; F206-K221 HydrophobicContact CD2-CG 4.06Å; F206-K221 HydrophobicContact CE2-CD 3.64Å; F206-K221 HydrophobicContact CE2-CG 4.14Å; V219-K221 HydrophobicContact CG1-CG 4.41Å; K221-M416 HydrophobicContact CB-CG 4.43Å; K221-M416 HydrophobicContact CB-SD 3.88Å; K221-L417 CarbonylContact C-O 3.27Å; K221-L417 WeakPolarHBondContact CA-O 3.38Å; K221-Y418 HydrophobicContact CD-CD1 4.29Å; K221-Y418 HydrophobicContact CD-CE1 3.78Å; K221-Y418 HydrophobicContact CG-CD1 3.84Å; K221-Y418 HydrophobicContact CG-CE1 3.84Å
222	I	84.5	Confident	77.8	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.1	-174.9	-66.9	160.8	0	0	0	109.2	Y202 K220 V235 M416 L417 I419	Y202-I222 WeakPolarHBondContact O-CA 3.2Å; Y202-I222 WeakPolarHBondContact O-CG2 3.26Å; K220-I222 HydrophobicContact CD-CD1 4.23Å; K220-I222 HydrophobicContact CG-CD1 4.22Å; K220-I222 HydrophobicContact CG-CG1 4.2Å; I222-V235 HydrophobicContact CD1-CG1 4.49Å; I222-V235 HydrophobicContact CG2-CG1 4.01Å; I222-V235 HydrophobicContact CG2-CG2 3.84Å; I222-M416 VanDerWaalsContact C-SD 3.56Å; I222-M416 WeakPolarHBondContact O-CA 3.29Å; I222-L417 HydrophobicContact CB-CB 4.32Å; I222-L417 HydrophobicContact CD1-CD2 4.27Å; I222-L417 PolarHBondContact N-O 3.19Å; I222-L417 PolarHBondContact O-N 3.03Å; I222-I419 HydrophobicContact CD1-CD1 4.11Å
223	L	82.3	Confident	77.3	Confident	73 Å²	73	58.9 Å²	58.9	38%	0.382	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.3	-177	179.7	67.7	0	0	0	111.5	K225 V261 H414 M416	L223-K225 HydrophobicContact CD2-CG 4.02Å; L223-K225 HydrophobicContact CG-CG 4.05Å; L223-K225 PolarHBondContact O-N 3.48Å; L223-V261 HydrophobicContact CD1-CG2 3.63Å; L223-H414 HydrophobicContact CD1-CB 4.14Å; L223-M416 HydrophobicContact CB-CE 4.15Å; L223-M416 HydrophobicContact CB-SD 4.04Å; L223-M416 HydrophobicContact CD1-CE 3.91Å; L223-M416 HydrophobicContact CD1-SD 4.48Å
224	I	76.9	Confident	76.3	Confident	11 Å²	11	61 Å²	61	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	100.3	172.4	-56.9	166.9	0	0	0	108	R226 V235 L415	I224-R226 WeakPolarHBondContact CG2-O 3.34Å; I224-V235 HydrophobicContact CD1-CB 4.44Å; I224-V235 HydrophobicContact CD1-CG1 4.18Å; I224-V235 HydrophobicContact CG1-CG2 4.45Å; I224-L415 HydrophobicContact CB-CB 4.18Å; I224-L415 HydrophobicContact CD1-CB 4.46Å; I224-L415 PolarHBondContact N-O 3.4Å; I224-L415 PolarHBondContact O-N 3.01Å
225	K	67.1	Low	75.5	Confident	132 Å²	132	59.4 Å²	59.4	57%	0.574	29%	0.288	S	S	*	.	S	Bend	trans	-78.6	-27.3	-177.2	-63.1	-170.2	177	-175.2	0	114.6	L223 Q412	L223-K225 HydrophobicContact CD2-CG 4.02Å; L223-K225 HydrophobicContact CG-CG 4.05Å; L223-K225 PolarHBondContact O-N 3.48Å; K225-Q412 PolarHBondContact O-NE2 2.98Å
226	R	63.6	Low	74.5	Confident	192 Å²	192	58.3 Å²	58.3	73%	0.725	29%	0.285	S	S	*	.	S	Bend	trans	-136.5	128.4	175.9	-70	-178.3	176.1	169.9	-2.1	106.5	I224 S228	I224-R226 WeakPolarHBondContact CG2-O 3.34Å; R226-S228 PolarHBondContact O-N 2.98Å
227	V	58.3	Low	73.4	Confident	86 Å²	86	62.4 Å²	62.4	52%	0.521	29%	0.294	S	S	.	.			trans	-83.3	67.9	-175.1	-168.6	0	0	0	0	109.1	L415	V227-L415 HydrophobicContact CG1-CD1 4.37Å; V227-L415 HydrophobicContact CG2-CD1 3.92Å
228	S	60	Low	72.5	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	29%	0.289	S	S	.	.			trans	-76.5	146.5	169.5	85.6	0	0	0	0	109.5	R226 E230 D231 C232	R226-S228 PolarHBondContact O-N 2.98Å; S228-E230 VanDerWaalsContact C-N 3.25Å; S228-E230 PolarHBondContact O-N 3.25Å; S228-D231 PolarHBondContact O-N 3.26Å; S228-D231 VanDerWaalsContact OG-CB 3.27Å; S228-D231 WeakPolarHBondContact OG-CB 3.41Å; S228-D231 PolarHBondContact OG-N 3.26Å; S228-D231 PolarHBondContact OG-OD2 3.01Å; S228-C232 PolarHBondContact O-N 3.41Å; S228-C232 VanDerWaalsContact O-N 3.1Å
229	K	54.8	Low	71.8	Confident	91 Å²	91	61.7 Å²	61.7	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-56.5	-45.6	175.8	-175.6	-154.4	174.2	-170.7	0	110.1	I77 M233	I77-K229 VanDerWaalsContact CD1-CE 3.48Å; I77-K229 HydrophobicContact CG2-CD 4Å; K229-M233 HydrophobicContact CD-CE 3.93Å; K229-M233 HydrophobicContact CD-SD 4.42Å; K229-M233 HydrophobicContact CG-CE 3.88Å; K229-M233 HydrophobicContact CG-SD 4.17Å; K229-M233 WeakPolarHBondContact O-CB 3.48Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.45Å; K229-M233 PolarHBondContact O-N 3.02Å
230	E	61.1	Low	71.3	Confident	76 Å²	76	69.1 Å²	69.1	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-45.2	179.7	-75.3	63.6	-149.5	0	0	112.6	S228 M233 K234 K513	S228-E230 VanDerWaalsContact C-N 3.25Å; S228-E230 PolarHBondContact O-N 3.25Å; E230-M233 PolarHBondContact O-N 3.43Å; E230-K234 VanDerWaalsContact O-CG 3.23Å; E230-K234 WeakPolarHBondContact O-CG 3.4Å; E230-K234 PolarHBondContact O-N 2.98Å; E230-K513 IonicContact OE1-NZ 2.82Å
231	D	63.3	Low	71	Confident	63 Å²	63	68.9 Å²	68.9	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-74.1	-38	-177.5	-62	-43.7	0	0	0	112.1	S228 K234 V235	S228-D231 PolarHBondContact O-N 3.26Å; S228-D231 VanDerWaalsContact OG-CB 3.27Å; S228-D231 WeakPolarHBondContact OG-CB 3.41Å; S228-D231 PolarHBondContact OG-N 3.26Å; S228-D231 PolarHBondContact OG-OD2 3.01Å; D231-K234 PolarHBondContact O-N 2.82Å; D231-K234 IonicContact OD1-NZ 3.52Å; D231-K234 PolarHBondContact OD1-NZ 2.79Å; D231-V235 WeakPolarHBondContact O-CB 3.32Å; D231-V235 WeakPolarHBondContact O-CG2 3.27Å; D231-V235 PolarHBondContact O-N 3.17Å
232	C	63.8	Low	70.8	Confident	25 Å²	25	67.7 Å²	67.7	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-43.3	169.7	-73.1	0	0	0	0	111.8	S228 V235 L236	S228-C232 PolarHBondContact O-N 3.41Å; S228-C232 VanDerWaalsContact O-N 3.1Å; C232-V235 PolarHBondContact O-N 2.96Å; C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 VanDerWaalsContact O-CG 3.27Å; C232-L236 WeakPolarHBondContact O-CG 3.18Å; C232-L236 PolarHBondContact O-N 3.48Å
233	M	65.2	Low	70.8	Confident	87 Å²	87	70.5 Å²	70.5	43%	0.429	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-33	176.9	-71.9	-173.5	-50.2	0	0	113.4	K229 E230 R237	K229-M233 HydrophobicContact CD-CE 3.93Å; K229-M233 HydrophobicContact CD-SD 4.42Å; K229-M233 HydrophobicContact CG-CE 3.88Å; K229-M233 HydrophobicContact CG-SD 4.17Å; K229-M233 WeakPolarHBondContact O-CB 3.48Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.45Å; K229-M233 PolarHBondContact O-N 3.02Å; E230-M233 PolarHBondContact O-N 3.43Å; M233-R237 WeakPolarHBondContact O-CB 3.23Å; M233-R237 PolarHBondContact O-N 3.15Å
234	K	65.3	Low	71.1	Confident	113 Å²	113	68.5 Å²	68.5	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-49.7	171.2	-70.9	164.2	-153.3	164.9	0	110.7	E230 D231 R237	E230-K234 VanDerWaalsContact O-CG 3.23Å; E230-K234 WeakPolarHBondContact O-CG 3.4Å; E230-K234 PolarHBondContact O-N 2.98Å; D231-K234 PolarHBondContact O-N 2.82Å; D231-K234 IonicContact OD1-NZ 3.52Å; D231-K234 PolarHBondContact OD1-NZ 2.79Å; K234-R237 VanDerWaalsContact O-CB 3.29Å; K234-R237 WeakPolarHBondContact O-CB 3.2Å; K234-R237 PolarHBondContact O-N 2.99Å
235	V	67.1	Low	71.8	Confident	18 Å²	18	68.7 Å²	68.7	11%	0.109	33%	0.331	C	S	.	.	H	α-helix	trans	-70	-38.2	-174.7	170.3	0	0	0	0	112	I222 I224 D231 C232 R237 E238 L417	I222-V235 HydrophobicContact CD1-CG1 4.49Å; I222-V235 HydrophobicContact CG2-CG1 4.01Å; I222-V235 HydrophobicContact CG2-CG2 3.84Å; I224-V235 HydrophobicContact CD1-CB 4.44Å; I224-V235 HydrophobicContact CD1-CG1 4.18Å; I224-V235 HydrophobicContact CG1-CG2 4.45Å; D231-V235 WeakPolarHBondContact O-CB 3.32Å; D231-V235 WeakPolarHBondContact O-CG2 3.27Å; D231-V235 PolarHBondContact O-N 3.17Å; C232-V235 PolarHBondContact O-N 2.96Å; V235-R237 VanDerWaalsContact C-N 3.29Å; V235-R237 PolarHBondContact O-N 2.86Å; V235-E238 PolarHBondContact O-N 2.9Å; V235-L417 HydrophobicContact CG1-CB 4.01Å; V235-L417 HydrophobicContact CG1-CD2 3.35Å; V235-L417 HydrophobicContact CG1-CG 4.26Å
236	L	70	Confident	73	Confident	90 Å²	90	70.7 Å²	70.7	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-70.4	-22.1	173.1	-68.7	170.8	0	0	0	113.3	C232 V239 K240	C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 VanDerWaalsContact O-CG 3.27Å; C232-L236 WeakPolarHBondContact O-CG 3.18Å; C232-L236 PolarHBondContact O-N 3.48Å; L236-V239 PolarHBondContact O-N 3.15Å; L236-K240 WeakPolarHBondContact O-CB 3.45Å; L236-K240 PolarHBondContact O-N 3.33Å
237	R	72	Confident	74.5	Confident	130 Å²	130	64.3 Å²	64.3	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.5	-173.2	-176.5	-60.5	-132.1	-3.6	111.5	M233 K234 V235 V239 K240 V241 A503 C504	M233-R237 WeakPolarHBondContact O-CB 3.23Å; M233-R237 PolarHBondContact O-N 3.15Å; K234-R237 VanDerWaalsContact O-CB 3.29Å; K234-R237 WeakPolarHBondContact O-CB 3.2Å; K234-R237 PolarHBondContact O-N 2.99Å; V235-R237 VanDerWaalsContact C-N 3.29Å; V235-R237 PolarHBondContact O-N 2.86Å; R237-V239 VanDerWaalsContact C-N 3.32Å; R237-V239 PolarHBondContact O-N 2.88Å; R237-K240 PolarHBondContact O-N 3.32Å; R237-V241 HydrophobicContact CG-CG2 4.3Å; R237-V241 WeakPolarHBondContact O-CB 3.44Å; R237-V241 VanDerWaalsContact O-CG2 3.32Å; R237-V241 WeakPolarHBondContact O-CG2 3.26Å; R237-V241 PolarHBondContact O-N 3.18Å; R237-A503 VanDerWaalsContact CD-O 3.22Å; R237-A503 WeakPolarHBondContact CD-O 3.31Å; R237-C504 PolarHBondContact NH1-SG 3.3Å
238	E	76.9	Confident	76.2	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-45.7	177.6	-169.6	-177.2	150.6	0	0	110.7	K220 V235 V241 L242 I419 F500	K220-E238 IonicContact NZ-OE1 3.67Å; K220-E238 PolarHBondContact NZ-OE1 3.11Å; K220-E238 IonicContact NZ-OE2 2.75Å; K220-E238 PolarHBondContact NZ-OE2 3.37Å; V235-E238 PolarHBondContact O-N 2.9Å; E238-V241 PolarHBondContact O-N 3.09Å; E238-L242 HydrophobicContact CG-CD1 3.94Å; E238-L242 HydrophobicContact CG-CG 4.44Å; E238-L242 WeakPolarHBondContact O-CB 3.45Å; E238-L242 WeakPolarHBondContact O-CG 3.17Å; E238-L242 PolarHBondContact O-N 2.88Å; E238-I419 HydrophobicContact CG-CD1 4.39Å; E238-F500 HydrophobicContact CG-CB 4.46Å
239	V	81.5	Confident	78	Confident	20 Å²	20	62.8 Å²	62.8	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-52.1	175.5	-177.8	0	0	0	0	111.2	L236 R237 V241 L242 S243 Y253 A256 L417 I419	L236-V239 PolarHBondContact O-N 3.15Å; R237-V239 VanDerWaalsContact C-N 3.32Å; R237-V239 PolarHBondContact O-N 2.88Å; V239-V241 VanDerWaalsContact C-N 3.29Å; V239-V241 PolarHBondContact O-N 3.31Å; V239-L242 PolarHBondContact O-N 3.28Å; V239-S243 WeakPolarHBondContact O-CB 3.37Å; V239-S243 PolarHBondContact O-N 2.7Å; V239-S243 PolarHBondContact O-OG 3.23Å; V239-Y253 HydrophobicContact CG1-CE2 4.33Å; V239-A256 HydrophobicContact CG1-CB 3.8Å; V239-A256 HydrophobicContact CG2-CB 3.98Å; V239-L417 HydrophobicContact CG2-CD1 4.38Å; V239-L417 HydrophobicContact CG2-CD2 3.58Å; V239-I419 HydrophobicContact CG2-CD1 3.97Å; V239-I419 HydrophobicContact CG2-CG1 4.19Å
240	K	82	Confident	79.9	Confident	157 Å²	157	58.6 Å²	58.6	68%	0.683	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-27.9	-178.1	-173.7	174.6	-179.8	-179.5	0	113.3	L236 R237 S244	L236-K240 WeakPolarHBondContact O-CB 3.45Å; L236-K240 PolarHBondContact O-N 3.33Å; R237-K240 PolarHBondContact O-N 3.32Å; K240-S244 PolarHBondContact O-OG 3.37Å
241	V	84.6	Confident	81.5	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-72	-59.4	171.3	169.1	0	0	0	0	109.4	R237 E238 V239 S243 S244 L245 I476 F500 A503	R237-V241 HydrophobicContact CG-CG2 4.3Å; R237-V241 WeakPolarHBondContact O-CB 3.44Å; R237-V241 VanDerWaalsContact O-CG2 3.32Å; R237-V241 WeakPolarHBondContact O-CG2 3.26Å; R237-V241 PolarHBondContact O-N 3.18Å; E238-V241 PolarHBondContact O-N 3.09Å; V239-V241 VanDerWaalsContact C-N 3.29Å; V239-V241 PolarHBondContact O-N 3.31Å; V241-S243 VanDerWaalsContact C-N 3.35Å; V241-S243 PolarHBondContact O-N 3.33Å; V241-S244 PolarHBondContact O-N 2.85Å; V241-S244 PolarHBondContact O-OG 3.32Å; V241-L245 HydrophobicContact CG1-CD1 3.88Å; V241-L245 WeakPolarHBondContact O-CG 3.34Å; V241-I476 HydrophobicContact CG1-CD1 4.29Å; V241-I476 HydrophobicContact CG1-CG2 3.95Å; V241-F500 HydrophobicContact CG1-CB 4.12Å; V241-F500 HydrophobicContact CG1-CD1 3.65Å; V241-F500 HydrophobicContact CG1-CE1 4.43Å; V241-F500 HydrophobicContact CG1-CG 4.13Å; V241-A503 HydrophobicContact CG1-CB 4.1Å; V241-A503 HydrophobicContact CG2-CB 4.49Å
242	L	85.7	Confident	82.9	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-45.1	-177.6	-75.9	174.2	0	0	0	112.9	E238 V239 S244 L245 Y253 I419 M421 F500	E238-L242 HydrophobicContact CG-CD1 3.94Å; E238-L242 HydrophobicContact CG-CG 4.44Å; E238-L242 WeakPolarHBondContact O-CB 3.45Å; E238-L242 WeakPolarHBondContact O-CG 3.17Å; E238-L242 PolarHBondContact O-N 2.88Å; V239-L242 PolarHBondContact O-N 3.28Å; L242-S244 PolarHBondContact O-N 3.37Å; L242-S244 VanDerWaalsContact O-N 3.11Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-L245 VanDerWaalsContact O-N 3.15Å; L242-Y253 HydrophobicContact CB-CD2 3.98Å; L242-Y253 HydrophobicContact CB-CG 4.4Å; L242-I419 HydrophobicContact CD1-CG2 4.25Å; L242-M421 HydrophobicContact CD1-CE 3.79Å; L242-M421 HydrophobicContact CD2-CE 4.13Å; L242-F500 HydrophobicContact CD2-CB 4.24Å; L242-F500 HydrophobicContact CD2-CD2 3.5Å; L242-F500 VanDerWaalsContact CD2-CD2 3.5Å; L242-F500 HydrophobicContact CD2-CE2 4.14Å; L242-F500 HydrophobicContact CD2-CG 4.07Å; L242-F500 HydrophobicContact CG-CB 4.34Å; L242-F500 HydrophobicContact CG-CD2 4.47Å
243	S	86.3	Confident	84.2	Confident	64 Å²	64	55.5 Å²	55.5	45%	0.448	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.3	179.5	75.9	0	0	0	0	114	V239 V241	V239-S243 WeakPolarHBondContact O-CB 3.37Å; V239-S243 PolarHBondContact O-N 2.7Å; V239-S243 PolarHBondContact O-OG 3.23Å; V241-S243 VanDerWaalsContact C-N 3.35Å; V241-S243 PolarHBondContact O-N 3.33Å
244	S	88.3	Confident	85.3	Confident	31 Å²	31	55.8 Å²	55.8	22%	0.217	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	8.1	176.3	74	0	0	0	0	113.6	K240 V241 L242 R474 R505	K240-S244 PolarHBondContact O-OG 3.37Å; V241-S244 PolarHBondContact O-N 2.85Å; V241-S244 PolarHBondContact O-OG 3.32Å; L242-S244 PolarHBondContact O-N 3.37Å; L242-S244 VanDerWaalsContact O-N 3.11Å; S244-R474 PolarHBondContact O-NH1 2.96Å; S244-R505 PolarHBondContact OG-NH1 3.21Å; S244-R505 PolarHBondContact OG-NH2 3.3Å
245	L	90.9	Very high	86.4	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.079	27%	0.265	C	S	.	.			trans	-117.7	127.1	179.8	-64.8	173.7	0	0	0	110.4	V241 L242 I250 Y470 I471 I476 F500	V241-L245 HydrophobicContact CG1-CD1 3.88Å; V241-L245 WeakPolarHBondContact O-CG 3.34Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-L245 VanDerWaalsContact O-N 3.15Å; L245-I250 HydrophobicContact CB-CG2 4.24Å; L245-I250 HydrophobicContact CD1-CG2 4.38Å; L245-Y470 HydrophobicContact CB-CE1 4.24Å; L245-Y470 HydrophobicContact CD2-CD1 4.23Å; L245-Y470 HydrophobicContact CD2-CE1 3.62Å; L245-I471 HydrophobicContact CD1-CG2 4.18Å; L245-I471 HydrophobicContact CD2-CG2 4.02Å; L245-I476 HydrophobicContact CD2-CD1 3.7Å; L245-I476 HydrophobicContact CG-CD1 4.23Å; L245-F500 HydrophobicContact CD1-CD1 3.95Å; L245-F500 HydrophobicContact CD1-CE1 3.46Å; L245-F500 VanDerWaalsContact CD1-CE1 3.46Å; L245-F500 HydrophobicContact CD1-CE2 4.25Å; L245-F500 HydrophobicContact CD1-CZ 3.64Å
246	Q	92.5	Very high	87.4	Confident	175 Å²	175	51.8 Å²	51.8	82%	0.818	26%	0.263	S	S	*	.			trans	-146	99.4	176.8	-175.2	178.9	9	0	0	108.8	Y470	Q246-Y470 VanDerWaalsContact C-OH 3.29Å; Q246-Y470 PolarHBondContact N-OH 3.41Å; Q246-Y470 PolarHBondContact O-OH 3.48Å
247	H	94.7	Very high	88	Confident	57 Å²	57	47.8 Å²	47.8	26%	0.264	24%	0.242	S	C	.	.			trans	-156.1	151.6	-178.3	177.6	-114.1	0	0	0	110.2	N249 I250 Y470	H247-N249 PolarHBondContact CE1-OD1 3.04Å; H247-N249 PolarHBondContact ND1-N 2.88Å; H247-N249 PolarHBondContact O-N 3.04Å; H247-I250 HydrophobicContact CB-CG1 3.91Å; H247-I250 PolarHBondContact O-N 2.91Å; H247-I250 VanDerWaalsContact O-N 3.14Å; H247-Y470 HydrophobicContact CB-CD1 3.49Å; H247-Y470 VanDerWaalsContact CB-CD1 3.49Å; H247-Y470 HydrophobicContact CB-CD2 3.72Å; H247-Y470 HydrophobicContact CB-CE1 3.51Å; H247-Y470 HydrophobicContact CB-CE2 3.74Å; H247-Y470 HydrophobicContact CB-CG 3.59Å; H247-Y470 AromaticContact CD2-CD2 3.84Å; H247-Y470 AromaticContact CG-CD1 3.95Å; H247-Y470 AromaticContact CG-CD2 3.76Å; H247-Y470 AromaticContact CG-CG 3.59Å; H247-Y470 AromaticContact ND1-CG 3.91Å
248	V	95	Very high	88.3	Confident	83 Å²	83	43.1 Å²	43.1	50%	0.503	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.2	-175.7	66.5	0	0	0	0	112.7	R496	V248-R496 WeakPolarHBondContact O-CD 3.32Å; V248-R496 PolarHBondContact O-NE 2.93Å; V248-R496 PolarHBondContact O-NH1 2.72Å
249	N	97.1	Very high	88.3	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.048	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.6	179.2	-54.2	118.2	0	0	0	115.7	H247 N463 V495 R496 I497	H247-N249 PolarHBondContact CE1-OD1 3.04Å; H247-N249 PolarHBondContact ND1-N 2.88Å; H247-N249 PolarHBondContact O-N 3.04Å; N249-N463 VanDerWaalsContact CB-O 3.31Å; N249-N463 WeakPolarHBondContact CB-O 3.35Å; N249-N463 PolarHBondContact OD1-O 3.31Å; N249-V495 VanDerWaalsContact CA-O 3.26Å; N249-V495 WeakPolarHBondContact CA-O 3.45Å; N249-V495 PolarHBondContact ND2-O 3.29Å; N249-R496 CarbonylContact O-C 3.52Å; N249-R496 WeakPolarHBondContact O-CA 3.38Å; N249-I497 PolarHBondContact O-N 3.06Å
250	I	95.5	Very high	87.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-115.3	143.4	175.3	-52	-60.5	0	0	0	109	L245 H247 G252 Y470 I471 R496 I497 F500	L245-I250 HydrophobicContact CB-CG2 4.24Å; L245-I250 HydrophobicContact CD1-CG2 4.38Å; H247-I250 HydrophobicContact CB-CG1 3.91Å; H247-I250 PolarHBondContact O-N 2.91Å; H247-I250 VanDerWaalsContact O-N 3.14Å; I250-G252 PolarHBondContact O-N 2.58Å; I250-Y470 HydrophobicContact CD1-CD1 4.48Å; I250-Y470 HydrophobicContact CG1-CD1 3.93Å; I250-Y470 HydrophobicContact CG1-CE1 4.32Å; I250-I471 HydrophobicContact CD1-CG2 3.81Å; I250-R496 WeakPolarHBondContact O-CD 3.28Å; I250-R496 PolarHBondContact O-NH1 3.21Å; I250-I497 HydrophobicContact CD1-CB 4.06Å; I250-I497 HydrophobicContact CD1-CD1 4.44Å; I250-F500 HydrophobicContact CD1-CZ 4.26Å; I250-F500 HydrophobicContact CG2-CE2 3.97Å; I250-F500 HydrophobicContact CG2-CZ 4.08Å
251	V	94.4	Very high	87.1	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-60.2	125.1	174.5	175.1	0	0	0	0	109.6	Y253 M421 Q422 F487 R496 I497	V251-Y253 PolarHBondContact O-N 3.04Å; V251-M421 HydrophobicContact CB-CE 4.45Å; V251-M421 HydrophobicContact CG1-CB 4.08Å; V251-M421 HydrophobicContact CG1-CE 3.89Å; V251-Q422 HydrophobicContact CG1-CB 4.24Å; V251-F487 HydrophobicContact CG2-CD2 3.91Å; V251-R496 HydrophobicContact CG2-CB 3.71Å; V251-I497 WeakPolarHBondContact CG2-O 3.32Å; V251-I497 PolarHBondContact N-O 3.45Å
252	G	91.8	Very high	85.6	Confident	23 Å²	23	47 Å²	47	24%	0.237	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62	129.6	179.3	0	0	0	0	0	113	I250 M421 Q422	I250-G252 PolarHBondContact O-N 2.58Å; G252-M421 CarbonylContact O-C 3.28Å; G252-M421 WeakPolarHBondContact O-CA 3.49Å; G252-Q422 PolarHBondContact O-N 2.93Å
253	Y	91.7	Very high	83.7	Confident	67 Å²	67	50.4 Å²	50.4	26%	0.263	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.2	169.2	170.8	-93	0	0	0	110.3	V239 L242 V251 A256 I419	V239-Y253 HydrophobicContact CG1-CE2 4.33Å; L242-Y253 HydrophobicContact CB-CD2 3.98Å; L242-Y253 HydrophobicContact CB-CG 4.4Å; V251-Y253 PolarHBondContact O-N 3.04Å; Y253-A256 HydrophobicContact CE2-CB 4.15Å; Y253-A256 PolarHBondContact OH-N 2.91Å; Y253-A256 VanDerWaalsContact OH-N 3.16Å; Y253-I419 HydrophobicContact CD2-CG2 4.15Å; Y253-I419 HydrophobicContact CE2-CG2 4.1Å
254	H	88.8	Confident	81.5	Confident	93 Å²	93	50.3 Å²	50.3	43%	0.431	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-58.7	174.6	-73.8	-87.4	0	0	0	112.5	Y217 Q420	Y217-H254 AromaticContact CD1-CD2 3.96Å; Y217-H254 AromaticContact CD1-NE2 3.97Å; Y217-H254 AromaticContact CE1-CD2 3.87Å; Y217-H254 AromaticContact CE1-CE1 3.66Å; Y217-H254 AromaticContact CE1-NE2 3.54Å; H254-Q420 HydrophobicContact CB-CB 4.21Å; H254-Q420 HydrophobicContact CB-CG 3.91Å; H254-Q420 PolarHBondContact N-O 3.13Å
255	T	87.6	Confident	78.9	Confident	38 Å²	38	55 Å²	55	23%	0.233	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161.9	-177.6	-175.5	0	0	0	0	110.1	W257 Q420	T255-W257 HydrophobicContact CG2-CE3 4.12Å; T255-W257 HydrophobicContact CG2-CZ3 3.99Å; T255-Q420 HydrophobicContact CG2-CB 3.99Å; T255-Q420 VanDerWaalsContact CG2-OE1 3.24Å; T255-Q420 PolarHBondContact O-N 3.5Å
256	A	87.4	Confident	76	Confident	9 Å²	9	62.6 Å²	62.6	7%	0.074	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.8	171.2	0	0	0	0	0	109.7	V239 Y253 L417 Y418 I419	V239-A256 HydrophobicContact CG1-CB 3.8Å; V239-A256 HydrophobicContact CG2-CB 3.98Å; Y253-A256 HydrophobicContact CE2-CB 4.15Å; Y253-A256 PolarHBondContact OH-N 2.91Å; Y253-A256 VanDerWaalsContact OH-N 3.16Å; A256-L417 HydrophobicContact CB-CD1 4.37Å; A256-Y418 CarbonylContact C-O 3.54Å; A256-Y418 WeakPolarHBondContact CA-O 3.39Å; A256-Y418 WeakPolarHBondContact CB-O 3.44Å; A256-I419 HydrophobicContact CB-CG1 4.31Å
257	W	83.3	Confident	72.9	Confident	6 Å²	6	61.9 Å²	61.9	2%	0.023	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	161.2	178.9	70.8	95.6	0	0	0	111.2	Y187 F191 T255 E259 Y418 Q420	Y187-W257 HydrophobicContact CD2-CH2 4.48Å; Y187-W257 HydrophobicContact CD2-CZ2 4.07Å; F191-W257 HydrophobicContact CD2-CH2 4.12Å; F191-W257 HydrophobicContact CD2-CZ2 4.36Å; F191-W257 AromaticContact CE2-CH2 3.45Å; F191-W257 HydrophobicContact CE2-CH2 3.45Å; F191-W257 VanDerWaalsContact CE2-CH2 3.45Å; F191-W257 AromaticContact CE2-CZ2 3.99Å; F191-W257 HydrophobicContact CE2-CZ2 3.99Å; F191-W257 HydrophobicContact CE2-CZ3 4.25Å; F191-W257 HydrophobicContact CZ-CH2 4.01Å; T255-W257 HydrophobicContact CG2-CE3 4.12Å; T255-W257 HydrophobicContact CG2-CZ3 3.99Å; W257-E259 PolarHBondContact NE1-OE1 3.34Å; W257-Y418 HydrophobicContact CD2-CG 4.41Å; W257-Y418 VanDerWaalsContact CE2-CB 3.47Å; W257-Y418 AromaticContact CE2-CG 3.71Å; W257-Y418 HydrophobicContact CH2-CG 4.48Å; W257-Y418 AromaticContact CZ2-CD1 3.97Å; W257-Y418 HydrophobicContact CZ2-CD1 3.97Å; W257-Y418 HydrophobicContact CZ2-CD2 4.49Å; W257-Y418 AromaticContact CZ2-CG 3.77Å; W257-Y418 HydrophobicContact CZ2-CG 3.77Å; W257-Y418 PolarHBondContact N-O 2.56Å; W257-Y418 AromaticContact NE1-CD2 3.63Å; W257-Y418 AromaticContact NE1-CG 3.78Å; W257-Y418 PolarHBondContact O-N 3.27Å; W257-Q420 HydrophobicContact CZ3-CB 4.13Å
258	M	79.2	Confident	69.6	Low	31 Å²	31	66.7 Å²	66.7	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.7	-179.7	-69.7	172.2	58.3	0	0	111.6	T136 L415 M416 L417	T136-M258 PolarHBondContact OG1-O 3.01Å; M258-L415 HydrophobicContact CE-CB 4.25Å; M258-L415 HydrophobicContact CE-CD1 3.75Å; M258-L415 HydrophobicContact CE-CD2 3.98Å; M258-L415 HydrophobicContact CE-CG 4.22Å; M258-M416 WeakPolarHBondContact CA-O 3.37Å; M258-L417 HydrophobicContact CG-CB 4.32Å; M258-L417 HydrophobicContact CG-CD1 3.57Å; M258-L417 HydrophobicContact SD-CD1 4.37Å
259	E	76.7	Confident	66.4	Low	7 Å²	7	68 Å²	68	3%	0.033	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.8	173.2	-52.3	-176.1	-178.6	0	0	109.5	T136 S185 R186 Y187 W257 M416 Y418	T136-E259 HydrophobicContact CG2-CG 4.21Å; S185-E259 WeakPolarHBondContact CA-OE2 3.48Å; S185-E259 WeakPolarHBondContact CB-OE2 3.32Å; S185-E259 VanDerWaalsContact OG-CD 3.3Å; S185-E259 PolarHBondContact OG-OE1 3.32Å; S185-E259 PolarHBondContact OG-OE2 3.37Å; R186-E259 WeakPolarHBondContact CA-OE1 3.45Å; R186-E259 WeakPolarHBondContact CB-OE1 3.4Å; R186-E259 PolarHBondContact N-OE1 3.3Å; Y187-E259 PolarHBondContact N-OE1 2.89Å; W257-E259 PolarHBondContact NE1-OE1 3.34Å; E259-M416 PolarHBondContact N-O 3.18Å; E259-M416 PolarHBondContact O-N 2.81Å; E259-Y418 HydrophobicContact CB-CE2 3.89Å; E259-Y418 VanDerWaalsContact CD-CE2 3.49Å; E259-Y418 HydrophobicContact CG-CD2 4.03Å; E259-Y418 HydrophobicContact CG-CE2 3.59Å; E259-Y418 PolarHBondContact OE2-OH 3.26Å
260	H	68.6	Low	63.1	Low	57 Å²	57	75.6 Å²	75.6	26%	0.264	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.3	165.5	-78	-73.7	0	0	0	110	Q140 L415	Q140-H260 PolarHBondContact OE1-CD2 3.01Å; H260-L415 WeakPolarHBondContact ND1-CD2 3.41Å
261	V	68.3	Low	59.9	Low	42 Å²	42	82.8 Å²	82.8	26%	0.255	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.8	172.7	-71.5	0	0	0	0	108.9	L223 H414 M416	L223-V261 HydrophobicContact CD1-CG2 3.63Å; V261-H414 HydrophobicContact CG2-CB 3.89Å; V261-H414 PolarHBondContact N-O 3.06Å; V261-H414 VanDerWaalsContact N-O 3.07Å; V261-H414 WeakPolarHBondContact O-CB 3.17Å; V261-M416 HydrophobicContact CG1-CB 4.07Å; V261-M416 HydrophobicContact CG2-CB 4.2Å; V261-M416 HydrophobicContact CG2-CE 4.49Å
262	Q	54.2	Low	56.7	Low	167 Å²	167	88.2 Å²	88.2	78%	0.78	48%	0.479	S	S	*	.			trans	-93.3	140.1	166.4	-69.1	-177	-7.3	0	0	108.4	A264	Q262-A264 PolarHBondContact O-N 2.94Å
263	P	44.9	Very low	53.7	Low	73 Å²	73	91.5 Å²	91.5	47%	0.474	50%	0.504	S	S	.	.			trans	-57	136.1	166.4	-22.6	34.1	0	0	0	109.9	V265 H414	P263-V265 PolarHBondContact O-N 3.26Å; P263-H414 VanDerWaalsContact CG-CE1 3.44Å; P263-H414 WeakPolarHBondContact CG-CE1 3.34Å
264	A	40.4	Very low	50.6	Low	62 Å²	62	96.5 Å²	96.5	51%	0.512	53%	0.534	S	S	.	.			trans	-63.1	109.6	168.5	0	0	0	0	0	108.4	Q262 H266	Q262-A264 PolarHBondContact O-N 2.94Å; A264-H266 PolarHBondContact O-N 3.06Å
265	V	34.9	Very low	47.7	Very low	128 Å²	128	101.6 Å²	101.6	78%	0.776	56%	0.558	S	S	*	*			trans	-66.1	115.5	166.1	-180	0	0	0	0	106	P263 L267	P263-V265 PolarHBondContact O-N 3.26Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.48Å
266	H	28.3	Very low	44.8	Very low	176 Å²	176	104.9 Å²	104.9	82%	0.815	58%	0.583	S	S	*	*			trans	-63.3	99.5	167.8	-90.8	-88.1	0	0	0	107.8	A264 E268	A264-H266 PolarHBondContact O-N 3.06Å; H266-E268 PolarHBondContact O-N 3.14Å
267	L	29	Very low	41.9	Very low	160 Å²	160	111 Å²	111	84%	0.838	62%	0.622	S	S	*	*			trans	-76	85.4	169.7	-168.8	74	0	0	0	107.1	V265 S269	V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.48Å; L267-S269 PolarHBondContact O-N 2.89Å; L267-S269 VanDerWaalsContact O-N 3.12Å
268	E	24.8	Very low	39.2	Very low	157 Å²	157	114.1 Å²	114.1	73%	0.734	66%	0.655	S	S	*	*			trans	-54.4	118.8	170.2	-70.4	-175.8	148.2	0	0	108.4	H266 H270	H266-E268 PolarHBondContact O-N 3.14Å; E268-H270 PolarHBondContact O-N 2.97Å
269	S	28.5	Very low	36.9	Very low	111 Å²	111	122.2 Å²	122.2	78%	0.776	69%	0.693	S	S	*	*			trans	-80.9	52.2	-168.2	60.2	0	0	0	0	112.4	L267 L271	L267-S269 PolarHBondContact O-N 2.89Å; L267-S269 VanDerWaalsContact O-N 3.12Å; S269-L271 PolarHBondContact O-N 2.9Å
270	H	27.4	Very low	34.7	Very low	169 Å²	169	131 Å²	131	78%	0.782	73%	0.731	S	S	*	*			trans	-74.8	72.7	167.5	-81.3	-68.6	0	0	0	110.2	E268	E268-H270 PolarHBondContact O-N 2.97Å
271	L	27.9	Very low	32.9	Very low	154 Å²	154	135.7 Å²	135.7	81%	0.806	76%	0.758	S	S	*	*			trans	-62	127.8	154.9	-69.3	170.7	0	0	0	107.6	S269 A273	S269-L271 PolarHBondContact O-N 2.9Å; L271-A273 PolarHBondContact O-N 3.5Å; L271-A273 VanDerWaalsContact O-N 3.09Å
272	P	27.7	Very low	30.9	Very low	123 Å²	123	137 Å²	137	80%	0.799	78%	0.78	S	S	*	*			trans	-66.7	111.7	171.5	27.3	-32.1	0	0	0	108.4
273	A	28.1	Very low	29.7	Very low	92 Å²	92	138.7 Å²	138.7	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.7	173.7	0	0	0	0	0	109.5	L271 E275	L271-A273 PolarHBondContact O-N 3.5Å; L271-A273 VanDerWaalsContact O-N 3.09Å; A273-E275 PolarHBondContact O-N 3.17Å
274	L	26.8	Very low	28.9	Very low	172 Å²	172	142 Å²	142	90%	0.901	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.9	121.7	174.9	-73.3	162.6	0	0	0	109.4	S276	L274-S276 PolarHBondContact O-N 2.82Å
275	E	27.8	Very low	28.4	Very low	200 Å²	200	146.1 Å²	146.1	94%	0.935	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.8	131.5	171.4	-65.2	-173.7	147.5	0	0	110.2	A273	A273-E275 PolarHBondContact O-N 3.17Å
276	S	26.6	Very low	28.1	Very low	107 Å²	107	144 Å²	144	75%	0.748	80%	0.803	S	S	*	*			trans	-123.4	134.8	165	60.8	0	0	0	0	109.3	L274 G278	L274-S276 PolarHBondContact O-N 2.82Å; S276-G278 PolarHBondContact O-N 2.86Å
277	P	27.5	Very low	28.2	Very low	137 Å²	137	143.3 Å²	143.3	89%	0.89	81%	0.805	S	S	*	*			trans	-87.5	110.2	-159	31.6	-35.4	0	0	0	113.9
278	G	26.6	Very low	28.2	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	80%	0.8	S	S	*	*			trans	76.7	122.7	136	0	0	0	0	0	119.7	S276	S276-G278 PolarHBondContact O-N 2.86Å
279	Q	30.6	Very low	28.3	Very low	201 Å²	201	141.8 Å²	141.8	94%	0.939	80%	0.802	S	S	*	*				-146.3	161.8	127.1	-112.9	170.4	0.9	0	0	109.6
280	K	30	Very low	28.3	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	80%	0.796	S	S	*	*			trans	-107	156	-175.2	-70.6	-177	175.9	-177.7	0	111.7
281	D	29.8	Very low	28.4	Very low	157 Å²	157	138.1 Å²	138.1	84%	0.84	80%	0.796	S	S	*	*			trans	147.8	123.8	139	-70	-12.9	0	0	0	106.6
282	G	27.6	Very low	28.4	Very low	69 Å²	69	135.8 Å²	135.8	71%	0.711	79%	0.792	S	S	*	*				86	113.5	71.2	0	0	0	0	0	108.7
283	F	28	Very low	28.7	Very low	202 Å²	202	135.7 Å²	135.7	89%	0.886	79%	0.794	S	S	*	*			cis	-143.5	151.7	19.7	-100.3	-111.3	0	0	0	112.8
284	D	29.3	Very low	28.7	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	80%	0.795	S	S	*	*				20.6	121.9	128.4	-156.8	25.3	0	0	0	121
285	D	28.9	Very low	28.7	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	79%	0.79	S	S	*	*				-157.4	170.4	114.8	-153	-18.1	0	0	0	109.8
286	S	28.5	Very low	28.5	Very low	84 Å²	84	129.9 Å²	129.9	59%	0.587	79%	0.785	S	S	*	*			trans	-104.2	151.7	-166.2	60.2	0	0	0	0	114.1
287	L	30.4	Very low	28.8	Very low	162 Å²	162	131.3 Å²	131.3	85%	0.848	78%	0.783	S	S	*	*				170.1	144.5	120.1	-97.2	153	0	0	0	113.6
288	D	28.9	Very low	28.8	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	78%	0.779	S	S	*	*			trans	-60.2	160.2	157.7	-57.9	-72.4	0	0	0	109.8
289	N	28.6	Very low	28.7	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	78%	0.784	S	S	*	*				-172	177.9	54.7	-145.5	-40.1	0	0	0	113.5
290	S	28	Very low	28.5	Very low	91 Å²	91	135.8 Å²	135.8	64%	0.636	78%	0.779	S	S	*	*			trans	-58.9	160.4	177.3	59.9	0	0	0	0	117.2
291	S	29.1	Very low	28.3	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	77%	0.773	S	S	*	*			trans	109.2	157.8	130.8	83.9	0	0	0	0	120.3
292	S	28.8	Very low	28.2	Very low	104 Å²	104	132 Å²	132	73%	0.727	77%	0.77	S	S	*	*			trans	59	98.2	162.3	-141.6	0	0	0	0	119.9	S294	S292-S294 PolarHBondContact O-N 2.91Å
293	S	33.8	Very low	28.3	Very low	121 Å²	121	133.8 Å²	133.8	85%	0.846	77%	0.772	S	S	*	*				-20.9	120.8	125.9	179.1	0	0	0	0	113.7
294	S	26.5	Very low	28.5	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	77%	0.767	S	S	*	*			trans	-155.2	142.3	156.2	-170.1	0	0	0	0	110.1	S292	S292-S294 PolarHBondContact O-N 2.91Å
295	S	27.2	Very low	28.4	Very low	112 Å²	112	129 Å²	129	78%	0.783	77%	0.768	S	S	*	*			trans	-95.2	135.8	178	55	0	0	0	0	111.4
296	S	25	Very low	28.5	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	77%	0.769	S	S	*	*			trans	-154.1	158.8	150.7	-161.3	0	0	0	0	111.6
297	I	31.7	Very low	28.5	Very low	137 Å²	137	132.4 Å²	132.4	70%	0.703	78%	0.778	S	S	*	*			trans	-117.6	134.9	179	-62.9	169.7	0	0	0	108.2	F299	I297-F299 HydrophobicContact CG2-CD2 3.98Å; I297-F299 HydrophobicContact CG2-CE2 4.2Å
298	V	27.1	Very low	28.3	Very low	133 Å²	133	128.2 Å²	128.2	81%	0.806	77%	0.774	S	S	*	*			trans	-137.1	126.5	156	-177	0	0	0	0	108.4
299	F	26.1	Very low	28.3	Very low	192 Å²	192	126.3 Å²	126.3	84%	0.842	78%	0.778	S	S	*	*			trans	-92.4	138	162.5	-84.4	-95.8	0	0	0	108.6	I297	I297-F299 HydrophobicContact CG2-CD2 3.98Å; I297-F299 HydrophobicContact CG2-CE2 4.2Å
300	Q	24.9	Very low	28.3	Very low	177 Å²	177	123.8 Å²	123.8	83%	0.827	78%	0.777	S	S	*	*			trans	-127.4	106.2	172.3	-173.4	171.9	-1.6	0	0	111
301	S	26.6	Very low	28.3	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	79%	0.785	S	S	*	*			trans	-79.9	143.1	157.9	-52.6	0	0	0	0	108.9
302	H	27.7	Very low	28.2	Very low	168 Å²	168	125.3 Å²	125.3	78%	0.778	79%	0.788	S	S	*	*			trans	175.5	126.9	140	-95.1	-54.2	0	0	0	114.5
303	S	30.4	Very low	28.2	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	79%	0.786	S	S	*	*			trans	-159	126.9	133.5	50.6	0	0	0	0	105.7
304	Q	31	Very low	27.9	Very low	170 Å²	170	128.6 Å²	128.6	79%	0.794	79%	0.789	S	S	*	*				58.2	116.9	55.4	-61.3	-176.8	-21.7	0	0	111.3
305	G	27.4	Very low	27.8	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	79%	0.788	S	S	*	*			cis	-175.5	-171.2	-1	0	0	0	0	0	110.9
306	E	29.8	Very low	28.6	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	79%	0.789	S	S	*	*			cis	-158.7	-118.1	-4	-149.3	174.4	98	0	0	114.1
307	T	29.2	Very low	29.4	Very low	126 Å²	126	127 Å²	127	77%	0.773	78%	0.784	S	S	*	*			trans	-72.9	159.1	-170.7	57	0	0	0	0	117.5
308	G	27.2	Very low	29.1	Very low	73 Å²	73	126 Å²	126	75%	0.753	78%	0.784	S	S	*	*			trans	153.5	57.5	145.3	0	0	0	0	0	122.9
309	A	28.6	Very low	29	Very low	101 Å²	101	128 Å²	128	84%	0.835	79%	0.785	S	S	*	*			trans	41.7	122.3	149.3	0	0	0	0	0	124
310	A	27.5	Very low	28.9	Very low	91 Å²	91	124.5 Å²	124.5	75%	0.752	78%	0.784	S	S	*	*				83.4	130.9	129.5	0	0	0	0	0	124.5
311	S	28.9	Very low	28.9	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	79%	0.786	S	S	*	*			trans	81.2	103	144	65	0	0	0	0	122.9
312	S	26.5	Very low	29.7	Very low	121 Å²	121	125 Å²	125	85%	0.846	78%	0.784	S	S	*	*				50	113.3	123.4	-160.4	0	0	0	0	121.6
313	A	28.2	Very low	29.5	Very low	83 Å²	83	123.7 Å²	123.7	69%	0.686	78%	0.782	S	S	*	*				154.6	141.2	106.6	0	0	0	0	0	115.6
314	K	27.8	Very low	29.2	Very low	211 Å²	211	129 Å²	129	92%	0.917	79%	0.785	S	S	*	*			trans	46.5	120.8	147.4	-64.2	176.5	177.8	179.1	0	121.9
315	G	24.9	Very low	28.8	Very low	73 Å²	73	126.8 Å²	126.8	75%	0.753	78%	0.783	S	S	*	*				109.9	135.9	114.3	0	0	0	0	0	119.5
316	P	43.5	Very low	28.6	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	79%	0.788	S	S	*	*			trans	-94	-171.3	171.2	42.5	-37.7	0	0	0	111.3
317	P	42.9	Very low	28.3	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	79%	0.786	S	S	*	*			cis	-125.1	-151.5	8.4	27.6	0.5	0	0	0	112.3
318	T	25.5	Very low	27.9	Very low	116 Å²	116	128.8 Å²	128.8	71%	0.712	79%	0.79	S	S	*	*			cis	-158.7	-174.6	18.2	-27.1	0	0	0	0	114.4
319	E	23.5	Very low	27.7	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	79%	0.788	S	S	*	*			trans	-57.2	154.6	-178.5	-59.7	158.2	147	0	0	118.3
320	S	25	Very low	27.5	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	79%	0.791	S	S	*	*				-176.9	145.8	112	38.1	0	0	0	0	115.3
321	Q	24.6	Very low	27.2	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	79%	0.788	S	S	*	*			trans	-132.8	-171.6	158.7	-71.8	-165.2	-0.1	0	0	106.3
322	P	43.2	Very low	26.9	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	79%	0.787	S	S	*	*			cis	-118.6	-163.7	-19.2	16.4	9.5	0	0	0	111.1
323	I	24.6	Very low	26.6	Very low	142 Å²	142	142.4 Å²	142.4	73%	0.728	79%	0.785	S	S	*	*				173.9	144.2	87	-101	166.2	0	0	0	113.7
324	R	23.1	Very low	26.4	Very low	219 Å²	219	145 Å²	145	83%	0.826	79%	0.792	S	S	*	*			trans	48.3	113.3	154.5	-74.3	177.7	175.1	157.8	-0.9	124.1
325	T	23.6	Very low	26.2	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	79%	0.786	S	S	*	*				-21.3	148	125.3	54	0	0	0	0	119.5
326	L	22.3	Very low	26	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	79%	0.79	S	S	*	*				-157.4	161.5	128.8	-125.8	137.9	0	0	0	111.9
327	V	23.2	Very low	25.2	Very low	128 Å²	128	142 Å²	142	78%	0.776	79%	0.791	S	S	*	*			trans	-122	147	-172.8	173.5	0	0	0	0	110.8
328	S	20.9	Very low	24.3	Very low	124 Å²	124	146.1 Å²	146.1	87%	0.867	80%	0.797	S	S	*	*			trans	-146.7	153	156.9	-171.5	0	0	0	0	109.6
329	A	24.1	Very low	24.4	Very low	84 Å²	84	147.3 Å²	147.3	69%	0.694	80%	0.804	S	S	*	*			trans	-152.4	145.5	-174.1	0	0	0	0	0	112
330	Q	23.9	Very low	24.5	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	81%	0.805	S	S	*	*			trans	-161	104.1	155.7	-115.8	163.4	13.5	0	0	114.8
331	D	22	Very low	24.7	Very low	127 Å²	127	151 Å²	151	68%	0.679	81%	0.807	S	S	*	*			trans	73.9	144.1	130.8	-149.1	20.1	0	0	0	123.7
332	R	21.1	Very low	24.9	Very low	205 Å²	205	153.6 Å²	153.6	77%	0.774	81%	0.809	S	S	*	*			trans	84.1	110.8	159.6	-49.5	-154.7	173.9	-162	-5.9	123.7
333	Q	21.1	Very low	24.2	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	81%	0.806	S	S	*	*			trans	82.9	104.7	135	-71.5	-173.5	-45.7	0	0	122.9
334	V	24.3	Very low	24.8	Very low	137 Å²	137	151.1 Å²	151.1	83%	0.83	80%	0.795	S	S	*	*				59.2	104.1	129.3	-171.5	0	0	0	0	119.9
335	A	22.3	Very low	25.3	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	80%	0.798	S	S	*	*			trans	-160.7	137	132.2	0	0	0	0	0	111.1
336	C	21.5	Very low	25.9	Very low	124 Å²	124	150.9 Å²	150.9	84%	0.838	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-100.3	127.6	170.4	-63.4	0	0	0	0	110.5
337	P	26.6	Very low	26.7	Very low	127 Å²	127	146.3 Å²	146.3	83%	0.825	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.7	133.2	170.4	-17.4	31.3	0	0	0	111.1	T339	P337-T339 PolarHBondContact O-N 3.13Å
338	K	24.2	Very low	27.1	Very low	200 Å²	200	145.8 Å²	145.8	87%	0.87	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.3	118.3	177.8	-62.7	171.9	-176.7	172.9	0	109.9	V340	K338-V340 PolarHBondContact O-N 3.48Å
339	T	27.5	Very low	27.4	Very low	140 Å²	140	143 Å²	143	86%	0.859	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-73.3	118.9	170.6	38.6	0	0	0	0	110.6	P337 R341	P337-T339 PolarHBondContact O-N 3.13Å; T339-R341 PolarHBondContact O-N 3.22Å
340	V	26.4	Very low	27.8	Very low	136 Å²	136	144.4 Å²	144.4	82%	0.824	75%	0.751	S	S	*	*			trans	-75.8	115.3	178.6	178.1	0	0	0	0	109.3	K338 R342	K338-V340 PolarHBondContact O-N 3.48Å; V340-R342 PolarHBondContact O-N 2.88Å
341	R	28.1	Very low	28.1	Very low	235 Å²	235	140.5 Å²	140.5	89%	0.887	74%	0.74	S	S	*	*			trans	-67.1	109.9	170.9	-67.7	-179.9	176.9	177.6	-2	109.4	T339	T339-R341 PolarHBondContact O-N 3.22Å
342	R	28.8	Very low	28.3	Very low	237 Å²	237	143.8 Å²	143.8	89%	0.894	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.8	125.5	160.5	-79.8	-170	174.5	-164.5	-1.3	108.7	V340	V340-R342 PolarHBondContact O-N 2.88Å
343	L	29.2	Very low	28.7	Very low	115 Å²	115	141.1 Å²	141.1	60%	0.602	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-79.2	149.4	164.2	-72.9	163.6	0	0	0	109	Y347	L343-Y347 HydrophobicContact CD2-CD1 4.33Å
344	P	36.1	Very low	29	Very low	79 Å²	79	136.2 Å²	136.2	51%	0.513	75%	0.746	S	S	.	*	P	Polyproline II helix	trans	-64.5	141.9	171.1	-18.7	32	0	0	0	111.1	N346 Y347	P344-N346 PolarHBondContact O-N 3.35Å; P344-Y347 PolarHBondContact O-N 3.43Å
345	E	33.8	Very low	29.2	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-2.3	-175.5	-62.9	170.6	155.5	0	0	114.8
346	N	35.8	Very low	29.5	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	21.2	-177.8	-66.1	-91.4	0	0	0	112.7	P344	P344-N346 PolarHBondContact O-N 3.35Å
347	Y	39.3	Very low	29.8	Very low	72 Å²	72	140.7 Å²	140.7	28%	0.282	75%	0.749	S	S	.	*			trans	-129.7	115.6	-177.7	-177.4	-92.9	0	0	0	112.6	T184 L188 L343 P344 P349	T184-Y347 WeakPolarHBondContact CB-OH 3.41Å; T184-Y347 PolarHBondContact OG1-OH 3.13Å; L188-Y347 HydrophobicContact CD1-CD2 3.95Å; L188-Y347 HydrophobicContact CD1-CE2 3.87Å; L343-Y347 HydrophobicContact CD2-CD1 4.33Å; P344-Y347 PolarHBondContact O-N 3.43Å; Y347-P349 HydrophobicContact CD1-CG 4.38Å; Y347-P349 HydrophobicContact CE1-CB 4.31Å; Y347-P349 HydrophobicContact CE1-CG 3.91Å
348	V	33.1	Very low	30	Very low	118 Å²	118	140.3 Å²	140.3	72%	0.715	75%	0.746	S	S	*	*			trans	-108.5	116.8	174	-179	0	0	0	0	108.8
349	P	26.9	Very low	30.1	Very low	66 Å²	66	142.7 Å²	142.7	43%	0.429	75%	0.75	S	S	.	*			trans	-66.2	142.6	168.8	-9.4	22.8	0	0	0	110.4	Y347 V351	Y347-P349 HydrophobicContact CD1-CG 4.38Å; Y347-P349 HydrophobicContact CE1-CB 4.31Å; Y347-P349 HydrophobicContact CE1-CG 3.91Å; P349-V351 PolarHBondContact O-N 2.75Å
350	C	32.3	Very low	30.4	Very low	113 Å²	113	144 Å²	144	76%	0.764	75%	0.752	S	S	*	*			trans	-64	111.3	178.3	-54.6	0	0	0	0	111.3
351	V	29	Very low	31	Very low	114 Å²	114	141.4 Å²	141.4	69%	0.691	75%	0.752	S	S	*	*			trans	-122.5	105.4	160.6	180	0	0	0	0	106.4	P349 L353	P349-V351 PolarHBondContact O-N 2.75Å; V351-L353 HydrophobicContact CG1-CD2 4.27Å; V351-L353 HydrophobicContact CG1-CG 4.4Å; V351-L353 PolarHBondContact O-N 3.41Å
352	F	28.1	Very low	31.1	Very low	196 Å²	196	136.1 Å²	136.1	86%	0.86	75%	0.751	S	S	*	*			trans	-70.5	101.5	170.4	-98.9	-83.2	0	0	0	108.6	G354	F352-G354 PolarHBondContact O-N 3.17Å
353	L	28.6	Very low	31.2	Very low	148 Å²	148	134.6 Å²	134.6	78%	0.775	75%	0.751	S	S	*	*			trans	-73.8	67.2	171.5	-73.7	174.2	0	0	0	110.7	V351 Q355	V351-L353 HydrophobicContact CG1-CD2 4.27Å; V351-L353 HydrophobicContact CG1-CG 4.4Å; V351-L353 PolarHBondContact O-N 3.41Å; L353-Q355 PolarHBondContact O-N 2.62Å
354	G	27.6	Very low	31.1	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	76%	0.759	S	S	*	*			trans	-76.1	49.7	171	0	0	0	0	0	112.8	F352	F352-G354 PolarHBondContact O-N 3.17Å
355	Q	28.8	Very low	30.9	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.874	78%	0.778	S	S	*	*			trans	-98.7	85.8	171.7	-78.2	-165.6	-21.3	0	0	110.7	L353	L353-Q355 PolarHBondContact O-N 2.62Å
356	G	27.8	Very low	30.8	Very low	74 Å²	74	132.3 Å²	132.3	76%	0.763	77%	0.768	S	S	*	*			trans	-114	109.6	156.7	0	0	0	0	0	108.5
357	E	28.3	Very low	30.6	Very low	188 Å²	188	134.4 Å²	134.4	88%	0.879	78%	0.776	S	S	*	*			trans	-67.4	151.1	175.6	-83.3	-161.9	152.4	0	0	111.9
358	P	31.4	Very low	30.3	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	80%	0.795	S	S	*	*			trans	-75.1	134.2	-164.3	28.9	-35.6	0	0	0	113.1
359	R	25.9	Very low	30	Very low	250 Å²	250	141.2 Å²	141.2	94%	0.943	81%	0.809	S	S	*	*			trans	-107.4	135.6	155.1	-92	-173.9	163.5	-167.6	-4.8	110.3
360	N	32.8	Very low	30.1	Very low	168 Å²	168	145.7 Å²	145.7	90%	0.898	83%	0.829	S	S	*	*			trans	-61.7	143.9	-168	-68.4	-34.2	0	0	0	114.2
361	G	38.6	Very low	29.9	Very low	81 Å²	81	151.2 Å²	151.2	84%	0.835	83%	0.834	S	S	*	*			trans	108.9	68.1	135.7	0	0	0	0	0	118.7
362	S	30.1	Very low	29.8	Very low	124 Å²	124	151.4 Å²	151.4	87%	0.867	84%	0.84	S	S	*	*			trans	-151	146.2	143.9	54.2	0	0	0	0	110.5
363	K	32.3	Very low	29.7	Very low	205 Å²	205	146.6 Å²	146.6	89%	0.891	84%	0.837	S	S	*	*			trans	-91.4	138.6	-177.2	-63.8	177.4	-179.4	178.1	0	110
364	C	26.3	Very low	29.6	Very low	113 Å²	113	147.4 Å²	147.4	76%	0.764	84%	0.839	S	S	*	*			trans	-66.2	128.6	170.2	-62.2	0	0	0	0	110.5	A366	C364-A366 PolarHBondContact O-N 3.23Å
365	P	32.9	Very low	29.6	Very low	140 Å²	140	150.5 Å²	150.5	91%	0.909	84%	0.837	S	S	*	*	S	Bend	trans	-82.5	47.7	-178.1	36	-37.5	0	0	0	112.1
366	A	31.9	Very low	29.7	Very low	84 Å²	84	149.4 Å²	149.4	69%	0.694	84%	0.837	S	S	*	*			trans	-140.3	29.1	-169.4	0	0	0	0	0	113.8	C364	C364-A366 PolarHBondContact O-N 3.23Å
367	M	31.4	Very low	29.8	Very low	189 Å²	189	154.8 Å²	154.8	93%	0.931	84%	0.843	S	S	*	*			trans	-139.9	109.4	167	-87.2	-66.4	-178.2	0	0	108.5
368	G	31.7	Very low	29.7	Very low	66 Å²	66	152.7 Å²	152.7	68%	0.68	84%	0.838	S	S	*	*			trans	159.3	66.9	-176.6	0	0	0	0	0	114.8
369	W	28.2	Very low	29.5	Very low	268 Å²	268	151.1 Å²	151.1	100%	1.015	83%	0.829	S	S	*	*				-152.5	135.6	124.2	-81.6	-24.3	0	0	0	108.4
370	D	27.8	Very low	29.6	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	82%	0.816	S	S	*	*			trans	-98.6	164.7	-172	-146.6	-26.9	0	0	0	111.3
371	R	29.2	Very low	29.4	Very low	229 Å²	229	146.9 Å²	146.9	86%	0.864	82%	0.816	S	S	*	*			trans	-77.5	128.6	178.4	-73	168.6	155.5	-179.6	-7	111.4
372	S	26.5	Very low	28.8	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	81%	0.812	S	S	*	*			trans	-174.8	142.3	138.4	-86.8	0	0	0	0	113.1
373	A	26.2	Very low	28.6	Very low	96 Å²	96	147.3 Å²	147.3	79%	0.793	81%	0.806	S	S	*	*			trans	62	148.5	161	0	0	0	0	0	118.1
374	M	24.8	Very low	28.4	Very low	165 Å²	165	144.3 Å²	144.3	81%	0.813	80%	0.798	S	S	*	*			cis	-149.5	-173.1	-15.6	-104.2	-99.2	77.4	0	0	107.4
375	L	28.6	Very low	28.4	Very low	139 Å²	139	147.1 Å²	147.1	73%	0.728	80%	0.8	S	S	*	*			trans	-63.4	149.7	174.4	-61.3	158.6	0	0	0	111.6
376	D	29.9	Very low	28.3	Very low	163 Å²	163	148.9 Å²	148.9	87%	0.872	80%	0.8	S	S	*	*				-170.8	171.6	105	-90.2	-16.6	0	0	0	111.1
377	E	31.1	Very low	28.1	Very low	188 Å²	188	152 Å²	152	88%	0.879	81%	0.805	S	S	*	*			trans	-94.6	167.6	-168.1	-62.3	-168.5	116.5	0	0	115.4
378	D	26.4	Very low	28.2	Very low	144 Å²	144	150 Å²	150	77%	0.77	80%	0.799	S	S	*	*			trans	102.7	141.6	132.5	-150	8	0	0	0	120.4
379	S	27.1	Very low	28.2	Very low	85 Å²	85	153.5 Å²	153.5	59%	0.594	80%	0.802	S	S	*	*			trans	66.2	107	145.5	-88.6	0	0	0	0	123.3
380	S	28.4	Very low	28.4	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	79%	0.789	S	S	*	*				82.1	109.6	109.5	-63.5	0	0	0	0	121.2
381	R	27.5	Very low	28.4	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	79%	0.788	S	S	*	*				76.3	159.3	129.9	-76.6	178.3	153.8	159.9	-5.5	120.5
382	S	26.5	Very low	28.5	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	78%	0.78	S	S	*	*			trans	65.7	137.2	175.5	34.8	0	0	0	0	116.2
383	S	25.2	Very low	28.7	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	77%	0.773	S	S	*	*			cis	116.3	129.8	8.2	-75.4	0	0	0	0	111.9
384	I	27.9	Very low	29	Very low	142 Å²	142	147.4 Å²	147.4	73%	0.728	77%	0.773	S	S	*	*			trans	88.2	140.5	150.9	-67.4	159.2	0	0	0	118.5
385	E	26.3	Very low	29.4	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	77%	0.768	S	S	*	*			trans	60.6	102.1	162.8	-79.9	144	-141.5	0	0	122.6
386	L	31.7	Very low	29.6	Very low	176 Å²	176	147.2 Å²	147.2	92%	0.921	77%	0.77	S	S	*	*				-5.8	127.4	124	-60.9	167.2	0	0	0	115.8
387	N	28.3	Very low	29.7	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	77%	0.77	S	S	*	*			trans	-136.9	138.8	140.9	-162.8	-1.3	0	0	0	109.9
388	N	33.5	Very low	29.7	Very low	149 Å²	149	147.5 Å²	147.5	80%	0.797	77%	0.766	S	S	*	*			trans	-115.7	109.4	-177.1	179.7	26.1	0	0	0	108.2
389	N	30.9	Very low	29.8	Very low	139 Å²	139	150 Å²	150	74%	0.743	77%	0.765	S	S	*	*			trans	-145	136.9	172	-103	-44.7	0	0	0	111.3
390	S	33	Very low	29.9	Very low	106 Å²	106	149.3 Å²	149.3	74%	0.741	77%	0.765	S	S	*	*			trans	-81.9	137.2	-177.1	44.2	0	0	0	0	111.8
391	Y	27.3	Very low	30.1	Very low	210 Å²	210	152.2 Å²	152.2	82%	0.824	77%	0.767	S	S	*	*			trans	-121.2	122.6	157.6	-165	-97.1	0	0	0	108.1	D393	Y391-D393 PolarHBondContact O-N 3.23Å
392	V	32.2	Very low	30.3	Very low	116 Å²	116	147.6 Å²	147.6	70%	0.703	76%	0.759	S	S	*	*			trans	-94.2	96.2	-177.1	179.1	0	0	0	0	108.5
393	D	29.3	Very low	30.5	Very low	128 Å²	128	149.7 Å²	149.7	68%	0.684	76%	0.756	S	S	*	*			trans	-87.4	149	169.8	-157.2	-0	0	0	0	111.2	Y391	Y391-D393 PolarHBondContact O-N 3.23Å
394	K	33.2	Very low	30.8	Very low	182 Å²	182	150 Å²	150	79%	0.791	75%	0.754	S	S	*	*			trans	-120.9	33.8	-160.5	-82.9	-167.1	174.9	-175.6	0	115.3
395	D	32.7	Very low	31	Very low	130 Å²	130	154.5 Å²	154.5	70%	0.695	76%	0.762	S	S	*	*			trans	-123.2	40.2	-178.5	-88.9	-46.6	0	0	0	114.7
396	H	32.6	Very low	31.2	Very low	170 Å²	170	152 Å²	152	79%	0.787	76%	0.759	S	S	*	*			trans	-123.3	26.1	-178	-83.6	11.6	0	0	0	115.5
397	Q	33.2	Very low	31.2	Very low	184 Å²	184	149 Å²	149	86%	0.86	75%	0.752	S	S	*	*	S	Bend	trans	-106.2	-1.3	175.5	-82.8	-175.6	-41	0	0	115.9
398	Q	30.1	Very low	31.4	Very low	173 Å²	173	146.8 Å²	146.8	81%	0.808	75%	0.748	S	S	*	*	S	Bend	trans	-109.1	-2.7	-177.1	-141	169.3	30.6	0	0	116.1
399	W	28.7	Very low	31.3	Very low	197 Å²	197	148.9 Å²	148.9	75%	0.746	75%	0.75	S	S	*	*	S	Bend	trans	-101.8	-10	173.9	-81.1	-62.7	0	0	0	114.9
400	A	30.3	Very low	31.5	Very low	70 Å²	70	149.1 Å²	149.1	58%	0.579	75%	0.751	S	S	*	*	S	Bend	trans	-76.8	-31	-175.3	0	0	0	0	0	114.1
401	E	31.3	Very low	31.8	Very low	156 Å²	156	149.1 Å²	149.1	73%	0.729	75%	0.747	S	S	*	*	S	Bend	trans	-84.4	-18.5	-165.9	-60.4	-167	136.6	0	0	114.6	T404	E401-T404 PolarHBondContact O-OG1 2.85Å
402	I	32.2	Very low	32.7	Very low	136 Å²	136	143.6 Å²	143.6	70%	0.697	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-22	-173.3	-65.4	176.8	0	0	0	113.1	T404	I402-T404 PolarHBondContact O-N 3.09Å
403	H	30.8	Very low	33.5	Very low	152 Å²	152	144.4 Å²	144.4	70%	0.704	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	6.8	-176.7	-74.4	96.7	0	0	0	114.9	R405	H403-R405 VanDerWaalsContact C-N 3.3Å; H403-R405 PolarHBondContact O-N 3.02Å
404	T	30.3	Very low	35.3	Very low	114 Å²	114	139.2 Å²	139.2	70%	0.699	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	9.3	-177.1	57.5	0	0	0	0	114.7	E401 I402	E401-T404 PolarHBondContact O-OG1 2.85Å; I402-T404 PolarHBondContact O-N 3.09Å
405	R	33.8	Very low	37.3	Very low	236 Å²	236	131.2 Å²	131.2	89%	0.891	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	46	-179.6	-72.7	-167	175	-173.9	-0.1	115.2	H403	H403-R405 VanDerWaalsContact C-N 3.3Å; H403-R405 PolarHBondContact O-N 3.02Å
406	T	30.6	Very low	39.7	Very low	120 Å²	120	126.6 Å²	126.6	74%	0.736	64%	0.635	S	S	*	*			trans	-114.3	120.9	155	35.9	0	0	0	0	109.3	S408	T406-S408 PolarHBondContact O-N 3.38Å
407	S	31.3	Very low	42.2	Very low	113 Å²	113	118.7 Å²	118.7	79%	0.79	60%	0.598	S	S	*	*			trans	-73.4	99.3	174.8	42.2	0	0	0	0	109.7	K409	S407-K409 PolarHBondContact O-N 2.93Å
408	S	31.3	Very low	44.9	Very low	101 Å²	101	110.6 Å²	110.6	71%	0.706	56%	0.56	S	S	*	*			trans	-58.5	103.3	168.2	50.2	0	0	0	0	109	T406 D410	T406-S408 PolarHBondContact O-N 3.38Å; S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 PolarHBondContact O-N 2.94Å
409	K	32.1	Very low	47.8	Very low	193 Å²	193	102.4 Å²	102.4	84%	0.839	52%	0.522	S	S	*	.			trans	-69.3	93.2	168.6	-71.4	-175.6	178	-178.9	0	107.6	S407 V411	S407-K409 PolarHBondContact O-N 2.93Å; K409-V411 PolarHBondContact O-N 3.41Å; K409-V411 VanDerWaalsContact O-N 3.09Å
410	D	34.6	Very low	50.8	Low	144 Å²	144	93.5 Å²	93.5	77%	0.77	49%	0.489	S	S	*	.			trans	-51.5	118.3	174.6	-78.6	-25.3	0	0	0	109.6	S408 Q412	S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 PolarHBondContact O-N 2.94Å; D410-Q412 VanDerWaalsContact C-N 3.28Å; D410-Q412 PolarHBondContact O-N 2.69Å
411	V	40	Very low	53.8	Low	106 Å²	106	91 Å²	91	64%	0.642	47%	0.465	S	S	*	.			trans	-74.2	87.4	-179.8	-178.7	0	0	0	0	107.5	K409 F413	K409-V411 PolarHBondContact O-N 3.41Å; K409-V411 VanDerWaalsContact O-N 3.09Å; V411-F413 VanDerWaalsContact C-N 3.33Å; V411-F413 HydrophobicContact CB-CE2 4.29Å; V411-F413 HydrophobicContact CB-CZ 4.31Å; V411-F413 HydrophobicContact CG1-CE1 4.04Å; V411-F413 HydrophobicContact CG1-CE2 4.2Å; V411-F413 HydrophobicContact CG1-CZ 3.87Å; V411-F413 WeakPolarHBondContact O-CD2 3.44Å; V411-F413 VanDerWaalsContact O-CE2 3.31Å; V411-F413 WeakPolarHBondContact O-CE2 3.41Å; V411-F413 PolarHBondContact O-N 3.32Å
412	Q	45.8	Very low	56.8	Low	95 Å²	95	85 Å²	85	44%	0.444	44%	0.437	S	S	.	.			trans	-70.7	88.4	-177.3	-169.2	-176.2	-21.7	0	0	110.5	K225 D410 H414	K225-Q412 PolarHBondContact O-NE2 2.98Å; D410-Q412 VanDerWaalsContact C-N 3.28Å; D410-Q412 PolarHBondContact O-N 2.69Å; Q412-H414 PolarHBondContact NE2-CE1 3.36Å; Q412-H414 PolarHBondContact O-CE1 3.2Å; Q412-H414 PolarHBondContact O-N 2.96Å; Q412-H414 PolarHBondContact O-ND1 3.02Å
413	F	48.8	Very low	59.7	Low	133 Å²	133	79.8 Å²	79.8	58%	0.583	41%	0.41	S	S	*	.			trans	-57.7	125.7	173.7	-60.3	-81.9	0	0	0	110.8	V411	V411-F413 VanDerWaalsContact C-N 3.33Å; V411-F413 HydrophobicContact CB-CE2 4.29Å; V411-F413 HydrophobicContact CB-CZ 4.31Å; V411-F413 HydrophobicContact CG1-CE1 4.04Å; V411-F413 HydrophobicContact CG1-CE2 4.2Å; V411-F413 HydrophobicContact CG1-CZ 3.87Å; V411-F413 WeakPolarHBondContact O-CD2 3.44Å; V411-F413 VanDerWaalsContact O-CE2 3.31Å; V411-F413 WeakPolarHBondContact O-CE2 3.41Å; V411-F413 PolarHBondContact O-N 3.32Å
414	H	67.5	Low	62.7	Low	19 Å²	19	73.4 Å²	73.4	9%	0.088	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.3	169.8	-67.4	53.2	0	0	0	109	L223 V261 P263 Q412	L223-H414 HydrophobicContact CD1-CB 4.14Å; V261-H414 HydrophobicContact CG2-CB 3.89Å; V261-H414 PolarHBondContact N-O 3.06Å; V261-H414 VanDerWaalsContact N-O 3.07Å; V261-H414 WeakPolarHBondContact O-CB 3.17Å; P263-H414 VanDerWaalsContact CG-CE1 3.44Å; P263-H414 WeakPolarHBondContact CG-CE1 3.34Å; Q412-H414 PolarHBondContact NE2-CE1 3.36Å; Q412-H414 PolarHBondContact O-CE1 3.2Å; Q412-H414 PolarHBondContact O-N 2.96Å; Q412-H414 PolarHBondContact O-ND1 3.02Å
415	L	76	Confident	65.5	Low	14 Å²	14	73.4 Å²	73.4	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.4	177.7	-80.8	163.7	0	0	0	109.5	I224 V227 M258 H260	I224-L415 HydrophobicContact CB-CB 4.18Å; I224-L415 HydrophobicContact CD1-CB 4.46Å; I224-L415 PolarHBondContact N-O 3.4Å; I224-L415 PolarHBondContact O-N 3.01Å; V227-L415 HydrophobicContact CG1-CD1 4.37Å; V227-L415 HydrophobicContact CG2-CD1 3.92Å; M258-L415 HydrophobicContact CE-CB 4.25Å; M258-L415 HydrophobicContact CE-CD1 3.75Å; M258-L415 HydrophobicContact CE-CD2 3.98Å; M258-L415 HydrophobicContact CE-CG 4.22Å; H260-L415 WeakPolarHBondContact ND1-CD2 3.41Å
416	M	83.2	Confident	68.2	Low	32 Å²	32	65.5 Å²	65.5	16%	0.158	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.2	172.8	-170.1	74.4	73.9	0	0	108.5	K221 I222 L223 M258 E259 V261 Y418	K221-M416 HydrophobicContact CB-CG 4.43Å; K221-M416 HydrophobicContact CB-SD 3.88Å; I222-M416 VanDerWaalsContact C-SD 3.56Å; I222-M416 WeakPolarHBondContact O-CA 3.29Å; L223-M416 HydrophobicContact CB-CE 4.15Å; L223-M416 HydrophobicContact CB-SD 4.04Å; L223-M416 HydrophobicContact CD1-CE 3.91Å; L223-M416 HydrophobicContact CD1-SD 4.48Å; M258-M416 WeakPolarHBondContact CA-O 3.37Å; E259-M416 PolarHBondContact N-O 3.18Å; E259-M416 PolarHBondContact O-N 2.81Å; V261-M416 HydrophobicContact CG1-CB 4.07Å; V261-M416 HydrophobicContact CG2-CB 4.2Å; V261-M416 HydrophobicContact CG2-CE 4.49Å; M416-Y418 HydrophobicContact CB-CD2 4.42Å; M416-Y418 HydrophobicContact CB-CE2 3.69Å; M416-Y418 HydrophobicContact CG-CD2 4.01Å; M416-Y418 HydrophobicContact CG-CE1 4.34Å; M416-Y418 HydrophobicContact CG-CE2 3.37Å
417	L	84.9	Confident	71.2	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.3	164.2	179.4	75.8	0	0	0	108.6	K221 I222 V235 V239 A256 M258 I419	K221-L417 CarbonylContact C-O 3.27Å; K221-L417 WeakPolarHBondContact CA-O 3.38Å; I222-L417 HydrophobicContact CB-CB 4.32Å; I222-L417 HydrophobicContact CD1-CD2 4.27Å; I222-L417 PolarHBondContact N-O 3.19Å; I222-L417 PolarHBondContact O-N 3.03Å; V235-L417 HydrophobicContact CG1-CB 4.01Å; V235-L417 HydrophobicContact CG1-CD2 3.35Å; V235-L417 HydrophobicContact CG1-CG 4.26Å; V239-L417 HydrophobicContact CG2-CD1 4.38Å; V239-L417 HydrophobicContact CG2-CD2 3.58Å; A256-L417 HydrophobicContact CB-CD1 4.37Å; M258-L417 HydrophobicContact CG-CB 4.32Å; M258-L417 HydrophobicContact CG-CD1 3.57Å; M258-L417 HydrophobicContact SD-CD1 4.37Å; L417-I419 HydrophobicContact CD2-CD1 3.87Å; L417-I419 HydrophobicContact CD2-CG1 3.74Å; L417-I419 HydrophobicContact CG-CG1 4.11Å
418	Y	89.2	Confident	74.3	Confident	15 Å²	15	54.8 Å²	54.8	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.8	168.4	-62	-103.2	0	0	0	108.4	Y187 V219 K220 K221 A256 W257 E259 M416	Y187-Y418 VanDerWaalsContact CB-CE1 3.43Å; Y187-Y418 HydrophobicContact CD1-CE1 4.03Å; Y187-Y418 AromaticContact CD2-CD1 3.43Å; Y187-Y418 HydrophobicContact CD2-CD1 3.43Å; Y187-Y418 VanDerWaalsContact CD2-CD1 3.43Å; Y187-Y418 AromaticContact CD2-CE1 3.49Å; Y187-Y418 HydrophobicContact CD2-CE1 3.49Å; Y187-Y418 VanDerWaalsContact CD2-CE1 3.49Å; Y187-Y418 HydrophobicContact CE2-CD1 4.14Å; Y187-Y418 HydrophobicContact CE2-CE1 4.21Å; Y187-Y418 AromaticContact CG-CD1 3.8Å; Y187-Y418 HydrophobicContact CG-CD1 3.8Å; Y187-Y418 AromaticContact CG-CE1 3.37Å; Y187-Y418 HydrophobicContact CG-CE1 3.37Å; V219-Y418 HydrophobicContact CG1-CD1 3.95Å; K220-Y418 WeakPolarHBondContact O-CA 3.35Å; K221-Y418 HydrophobicContact CD-CD1 4.29Å; K221-Y418 HydrophobicContact CD-CE1 3.78Å; K221-Y418 HydrophobicContact CG-CD1 3.84Å; K221-Y418 HydrophobicContact CG-CE1 3.84Å; A256-Y418 CarbonylContact C-O 3.54Å; A256-Y418 WeakPolarHBondContact CA-O 3.39Å; A256-Y418 WeakPolarHBondContact CB-O 3.44Å; W257-Y418 HydrophobicContact CD2-CG 4.41Å; W257-Y418 VanDerWaalsContact CE2-CB 3.47Å; W257-Y418 AromaticContact CE2-CG 3.71Å; W257-Y418 HydrophobicContact CH2-CG 4.48Å; W257-Y418 AromaticContact CZ2-CD1 3.97Å; W257-Y418 HydrophobicContact CZ2-CD1 3.97Å; W257-Y418 HydrophobicContact CZ2-CD2 4.49Å; W257-Y418 AromaticContact CZ2-CG 3.77Å; W257-Y418 HydrophobicContact CZ2-CG 3.77Å; W257-Y418 PolarHBondContact N-O 2.56Å; W257-Y418 AromaticContact NE1-CD2 3.63Å; W257-Y418 AromaticContact NE1-CG 3.78Å; W257-Y418 PolarHBondContact O-N 3.27Å; E259-Y418 HydrophobicContact CB-CE2 3.89Å; E259-Y418 VanDerWaalsContact CD-CE2 3.49Å; E259-Y418 HydrophobicContact CG-CD2 4.03Å; E259-Y418 HydrophobicContact CG-CE2 3.59Å; E259-Y418 PolarHBondContact OE2-OH 3.26Å; M416-Y418 HydrophobicContact CB-CD2 4.42Å; M416-Y418 HydrophobicContact CB-CE2 3.69Å; M416-Y418 HydrophobicContact CG-CD2 4.01Å; M416-Y418 HydrophobicContact CG-CE1 4.34Å; M416-Y418 HydrophobicContact CG-CE2 3.37Å
419	I	90.5	Very high	77.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.9	170.8	-49.1	178.9	0	0	0	107.5	V219 K220 I222 E238 V239 L242 Y253 A256 L417 M421	V219-I419 VanDerWaalsContact CA-O 3.31Å; V219-I419 WeakPolarHBondContact CA-O 3.44Å; K220-I419 HydrophobicContact CB-CB 4.38Å; K220-I419 PolarHBondContact N-O 3.27Å; K220-I419 PolarHBondContact O-N 3.25Å; I222-I419 HydrophobicContact CD1-CD1 4.11Å; E238-I419 HydrophobicContact CG-CD1 4.39Å; V239-I419 HydrophobicContact CG2-CD1 3.97Å; V239-I419 HydrophobicContact CG2-CG1 4.19Å; L242-I419 HydrophobicContact CD1-CG2 4.25Å; Y253-I419 HydrophobicContact CD2-CG2 4.15Å; Y253-I419 HydrophobicContact CE2-CG2 4.1Å; A256-I419 HydrophobicContact CB-CG1 4.31Å; L417-I419 HydrophobicContact CD2-CD1 3.87Å; L417-I419 HydrophobicContact CD2-CG1 3.74Å; L417-I419 HydrophobicContact CG-CG1 4.11Å; I419-M421 HydrophobicContact CG2-CG 3.86Å; I419-M421 HydrophobicContact CG2-SD 4.26Å
420	Q	93.4	Very high	80.1	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.8	172.8	-176.3	-172.9	-7.9	0	0	109.9	Y217 V219 H254 T255 W257	Y217-Q420 HydrophobicContact CD1-CG 4.12Å; Y217-Q420 VanDerWaalsContact CD1-NE2 3.32Å; Y217-Q420 VanDerWaalsContact CD2-NE2 3.27Å; Y217-Q420 HydrophobicContact CG-CG 4.03Å; V219-Q420 HydrophobicContact CG2-CB 4.25Å; V219-Q420 HydrophobicContact CG2-CG 4.32Å; H254-Q420 HydrophobicContact CB-CB 4.21Å; H254-Q420 HydrophobicContact CB-CG 3.91Å; H254-Q420 PolarHBondContact N-O 3.13Å; T255-Q420 HydrophobicContact CG2-CB 3.99Å; T255-Q420 VanDerWaalsContact CG2-OE1 3.24Å; T255-Q420 PolarHBondContact O-N 3.5Å; W257-Q420 HydrophobicContact CZ3-CB 4.13Å
421	M	93.1	Very high	82.9	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.8	-173.1	-51.2	-179.3	75.8	0	0	109.4	A218 L242 V251 G252 I419 L423	A218-M421 HydrophobicContact CB-CB 4.45Å; A218-M421 PolarHBondContact N-O 3.34Å; A218-M421 PolarHBondContact O-N 2.93Å; L242-M421 HydrophobicContact CD1-CE 3.79Å; L242-M421 HydrophobicContact CD2-CE 4.13Å; V251-M421 HydrophobicContact CB-CE 4.45Å; V251-M421 HydrophobicContact CG1-CB 4.08Å; V251-M421 HydrophobicContact CG1-CE 3.89Å; G252-M421 CarbonylContact O-C 3.28Å; G252-M421 WeakPolarHBondContact O-CA 3.49Å; I419-M421 HydrophobicContact CG2-CG 3.86Å; I419-M421 HydrophobicContact CG2-SD 4.26Å; M421-L423 PolarHBondContact O-N 2.97Å
422	Q	93.8	Very high	85.5	Confident	32 Å²	32	34.7 Å²	34.7	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	132.9	168.1	178.1	179.6	9.1	0	0	109.6	V251 G252 H489 R496	V251-Q422 HydrophobicContact CG1-CB 4.24Å; G252-Q422 PolarHBondContact O-N 2.93Å; Q422-H489 PolarHBondContact NE2-CD2 3.45Å; Q422-H489 PolarHBondContact NE2-NE2 3.46Å; Q422-R496 VanDerWaalsContact OE1-CZ 3.31Å
423	L	93.6	Very high	87.7	Confident	26 Å²	26	32.4 Å²	32.4	14%	0.136	16%	0.157	C	C	.	.			trans	-74.1	133.3	170.2	-177.9	63.2	0	0	0	109.7	L197 K207 A218 M421	L197-L423 HydrophobicContact CD1-CD1 3.58Å; K207-L423 HydrophobicContact CD-CD2 3.83Å; K207-L423 HydrophobicContact CG-CD1 4.45Å; K207-L423 HydrophobicContact CG-CD2 4Å; A218-L423 HydrophobicContact CB-CD1 4.2Å; M421-L423 PolarHBondContact O-N 2.97Å
424	C	92.8	Very high	89.7	Confident	17 Å²	17	29.4 Å²	29.4	12%	0.115	15%	0.145	C	C	.	.			trans	-119.7	149	166.6	-57.5	0	0	0	0	109.4	F487	C424-F487 HydrophobicContact CB-CB 3.55Å; C424-F487 HydrophobicContact CB-CG 4.28Å
425	E	89.9	Confident	90.8	Very high	115 Å²	115	29 Å²	29	54%	0.537	14%	0.143	S	C	.	.	S	Bend	trans	-82.1	-33.2	-163.2	-67.8	88.7	122.8	0	0	113.2	L488 H489 G490	E425-L488 PolarHBondContact N-O 2.95Å; E425-H489 IonicContact OE1-ND1 3.62Å; E425-H489 PolarHBondContact OE1-ND1 3.15Å; E425-H489 WeakPolarHBondContact OE2-CA 3.27Å; E425-H489 IonicContact OE2-CE1 3.7Å; E425-H489 IonicContact OE2-CG 3.26Å; E425-H489 IonicContact OE2-ND1 2.75Å; E425-H489 PolarHBondContact OE2-ND1 3.47Å; E425-G490 WeakPolarHBondContact OE1-CA 3.4Å; E425-G490 PolarHBondContact OE1-N 3.03Å
426	R	90.4	Very high	91.4	Very high	69 Å²	69	30.5 Å²	30.5	26%	0.26	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.4	178.4	59.3	-177.2	167.5	-164.8	-9.4	111.5	D430 E434 L488 C493	R426-D430 HydrophobicContact CB-CB 4.28Å; R426-E434 IonicContact CZ-OE2 3.99Å; R426-E434 IonicContact NH1-OE2 2.75Å; R426-E434 PolarHBondContact NH1-OE2 3.34Å; R426-L488 HydrophobicContact CG-CB 4.23Å; R426-L488 PolarHBondContact O-N 2.87Å; R426-C493 PolarHBondContact NH2-SG 3.32Å
427	S	93.7	Very high	91.5	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.063	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	160.9	167.2	78.2	0	0	0	0	111	K429 D430 W431 I486	S427-K429 PolarHBondContact O-N 2.96Å; S427-K429 PolarHBondContact OG-N 3.14Å; S427-D430 WeakPolarHBondContact CA-OD2 3.5Å; S427-D430 VanDerWaalsContact CB-OD2 3.25Å; S427-D430 WeakPolarHBondContact CB-OD2 3.33Å; S427-D430 PolarHBondContact N-OD2 3.44Å; S427-D430 WeakPolarHBondContact O-CB 3.25Å; S427-D430 PolarHBondContact O-N 3.05Å; S427-D430 PolarHBondContact OG-N 3.34Å; S427-D430 PolarHBondContact OG-OD2 2.64Å; S427-W431 PolarHBondContact O-N 2.92Å; S427-W431 VanDerWaalsContact O-N 3.09Å; S427-I486 CarbonylContact C-O 3.53Å; S427-I486 WeakPolarHBondContact CA-O 3.44Å
428	L	95.3	Very high	91.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-30.5	173.2	-176.7	67.1	0	0	0	111.1	D430 W431 I432 L460 I464 P483 I486 L488 L556 L560	L428-D430 VanDerWaalsContact C-N 3.29Å; L428-D430 PolarHBondContact O-N 2.72Å; L428-W431 HydrophobicContact CD1-CE3 4.08Å; L428-W431 PolarHBondContact O-N 2.67Å; L428-I432 HydrophobicContact CG-CD1 4.29Å; L428-I432 VanDerWaalsContact O-CG1 3.28Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 2.77Å; L428-L460 HydrophobicContact CD1-CD1 4.25Å; L428-I464 HydrophobicContact CD2-CD1 3.79Å; L428-P483 CarbonylContact C-O 3.49Å; L428-P483 HydrophobicContact CB-CB 4.04Å; L428-P483 WeakPolarHBondContact CB-O 3.44Å; L428-P483 HydrophobicContact CD2-CB 4.23Å; L428-P483 HydrophobicContact CG-CB 4.14Å; L428-P483 PolarHBondContact N-O 3.35Å; L428-P483 VanDerWaalsContact N-O 3.15Å; L428-I486 HydrophobicContact CB-CB 4.16Å; L428-I486 HydrophobicContact CB-CG2 4.3Å; L428-I486 WeakPolarHBondContact CB-O 3.45Å; L428-I486 HydrophobicContact CD2-CB 4.26Å; L428-I486 HydrophobicContact CD2-CG2 4.2Å; L428-I486 PolarHBondContact N-O 3.42Å; L428-L488 HydrophobicContact CD1-CD1 4.32Å; L428-L488 HydrophobicContact CD1-CD2 4.29Å; L428-L556 HydrophobicContact CD2-CD1 4.22Å; L428-L556 HydrophobicContact CD2-CD2 4.22Å; L428-L560 HydrophobicContact CD1-CD2 4.04Å; L428-L560 HydrophobicContact CD2-CD2 4.19Å; L428-L560 HydrophobicContact CG-CD2 4.38Å
429	K	93.4	Very high	90.1	Very high	35 Å²	35	45.3 Å²	45.3	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-41.2	172.9	-163.8	-150.8	163.3	-70.8	0	110.8	S427 I432 S433 P483 R484	S427-K429 PolarHBondContact O-N 2.96Å; S427-K429 PolarHBondContact OG-N 3.14Å; K429-I432 PolarHBondContact O-N 2.67Å; K429-S433 PolarHBondContact NZ-OG 2.74Å; K429-S433 WeakPolarHBondContact O-CB 3.41Å; K429-S433 PolarHBondContact O-N 3.44Å; K429-S433 PolarHBondContact O-OG 3.28Å; K429-P483 HydrophobicContact CB-CB 3.88Å; K429-P483 PolarHBondContact N-O 2.87Å; K429-R484 HydrophobicContact CB-CG 4.09Å; K429-R484 HydrophobicContact CD-CG 3.97Å; K429-R484 HydrophobicContact CG-CG 4.42Å
430	D	92.6	Very high	88.7	Confident	64 Å²	64	49.1 Å²	49.1	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-43.6	-178.6	-49.5	-44.4	0	0	0	109.3	R426 S427 L428 I432 S433 E434	R426-D430 HydrophobicContact CB-CB 4.28Å; S427-D430 WeakPolarHBondContact CA-OD2 3.5Å; S427-D430 VanDerWaalsContact CB-OD2 3.25Å; S427-D430 WeakPolarHBondContact CB-OD2 3.33Å; S427-D430 PolarHBondContact N-OD2 3.44Å; S427-D430 WeakPolarHBondContact O-CB 3.25Å; S427-D430 PolarHBondContact O-N 3.05Å; S427-D430 PolarHBondContact OG-N 3.34Å; S427-D430 PolarHBondContact OG-OD2 2.64Å; L428-D430 VanDerWaalsContact C-N 3.29Å; L428-D430 PolarHBondContact O-N 2.72Å; D430-I432 PolarHBondContact O-N 3.09Å; D430-S433 CarbonylContact O-C 3.47Å; D430-S433 WeakPolarHBondContact O-CB 3.33Å; D430-S433 PolarHBondContact O-N 2.52Å; D430-S433 VanDerWaalsContact O-N 3.08Å; D430-E434 WeakPolarHBondContact O-CB 3.23Å; D430-E434 VanDerWaalsContact O-CG 3.29Å; D430-E434 WeakPolarHBondContact O-CG 3.29Å; D430-E434 PolarHBondContact O-N 3.29Å
431	W	93.9	Very high	86.9	Confident	15 Å²	15	56.8 Å²	56.8	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-44.9	171.4	-178.4	93.3	0	0	0	113.8	S427 L428 S433 E434 R435 L456 L460 L488 L560	S427-W431 PolarHBondContact O-N 2.92Å; S427-W431 VanDerWaalsContact O-N 3.09Å; L428-W431 HydrophobicContact CD1-CE3 4.08Å; L428-W431 PolarHBondContact O-N 2.67Å; W431-S433 VanDerWaalsContact C-N 3.3Å; W431-S433 PolarHBondContact O-N 3.2Å; W431-E434 PolarHBondContact O-N 3.36Å; W431-R435 WeakPolarHBondContact O-CB 3.41Å; W431-R435 PolarHBondContact O-N 3.41Å; W431-L456 HydrophobicContact CZ2-CD2 3.92Å; W431-L456 HydrophobicContact CZ2-CG 4.24Å; W431-L460 HydrophobicContact CD2-CD1 4.28Å; W431-L460 HydrophobicContact CE3-CD1 4.28Å; W431-L460 HydrophobicContact CH2-CD1 3.77Å; W431-L460 HydrophobicContact CZ2-CD1 3.74Å; W431-L460 HydrophobicContact CZ3-CD1 4.04Å; W431-L488 HydrophobicContact CB-CD1 3.59Å; W431-L488 HydrophobicContact CD2-CD1 4.4Å; W431-L488 HydrophobicContact CG-CD1 3.59Å; W431-L560 HydrophobicContact CZ3-CD2 4.17Å
432	I	93.2	Very high	84.9	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-40	175.4	-66.8	170.4	0	0	0	110.4	L428 K429 D430 N436 P483 E559 L560	L428-I432 HydrophobicContact CG-CD1 4.29Å; L428-I432 VanDerWaalsContact O-CG1 3.28Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 2.77Å; K429-I432 PolarHBondContact O-N 2.67Å; D430-I432 PolarHBondContact O-N 3.09Å; I432-N436 WeakPolarHBondContact O-CB 3.32Å; I432-N436 PolarHBondContact O-N 3.29Å; I432-N436 PolarHBondContact O-OD1 3.42Å; I432-P483 HydrophobicContact CD1-CB 4.19Å; I432-P483 HydrophobicContact CD1-CG 4.14Å; I432-E559 HydrophobicContact CD1-CG 4.15Å; I432-L560 HydrophobicContact CD1-CD2 4.2Å; I432-L560 HydrophobicContact CG1-CD2 4.45Å
433	S	91.8	Very high	83.2	Confident	48 Å²	48	70.8 Å²	70.8	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-69.8	-45.4	-179.4	-49.8	0	0	0	0	111.2	K429 D430 W431 N436 S437	K429-S433 PolarHBondContact NZ-OG 2.74Å; K429-S433 WeakPolarHBondContact O-CB 3.41Å; K429-S433 PolarHBondContact O-N 3.44Å; K429-S433 PolarHBondContact O-OG 3.28Å; D430-S433 CarbonylContact O-C 3.47Å; D430-S433 WeakPolarHBondContact O-CB 3.33Å; D430-S433 PolarHBondContact O-N 2.52Å; D430-S433 VanDerWaalsContact O-N 3.08Å; W431-S433 VanDerWaalsContact C-N 3.3Å; W431-S433 PolarHBondContact O-N 3.2Å; S433-N436 PolarHBondContact O-N 2.98Å; S433-S437 WeakPolarHBondContact O-CB 3.47Å; S433-S437 PolarHBondContact O-N 2.83Å; S433-S437 PolarHBondContact O-OG 2.61Å
434	E	91.1	Very high	81.7	Confident	69 Å²	69	76.8 Å²	76.8	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-55.1	-54.1	172.9	-74.7	166.9	-150.3	0	0	110.6	R426 D430 W431 N436 S437 R438	R426-E434 IonicContact CZ-OE2 3.99Å; R426-E434 IonicContact NH1-OE2 2.75Å; R426-E434 PolarHBondContact NH1-OE2 3.34Å; D430-E434 WeakPolarHBondContact O-CB 3.23Å; D430-E434 VanDerWaalsContact O-CG 3.29Å; D430-E434 WeakPolarHBondContact O-CG 3.29Å; D430-E434 PolarHBondContact O-N 3.29Å; W431-E434 PolarHBondContact O-N 3.36Å; E434-N436 PolarHBondContact O-N 3.3Å; E434-S437 WeakPolarHBondContact CA-OG 3.32Å; E434-S437 PolarHBondContact O-N 3.14Å; E434-S437 PolarHBondContact O-OG 3.33Å; E434-R438 PolarHBondContact O-N 2.93Å
435	R	90.8	Very high	80.3	Confident	12 Å²	12	79.7 Å²	79.7	5%	0.045	40%	0.402	C	S	.	.	H	α-helix	trans	-56.3	-50.6	179.5	-177.6	-161.4	68.9	-170.3	-1	112	W431 S437 R438 C451 L560	W431-R435 WeakPolarHBondContact O-CB 3.41Å; W431-R435 PolarHBondContact O-N 3.41Å; R435-S437 PolarHBondContact O-N 2.91Å; R435-R438 PolarHBondContact O-N 2.86Å; R435-C451 VanDerWaalsContact CD-O 3.3Å; R435-C451 WeakPolarHBondContact CD-O 3.46Å; R435-C451 VanDerWaalsContact CG-O 3.31Å; R435-C451 WeakPolarHBondContact CG-O 3.42Å; R435-L560 PolarHBondContact NH1-O 3.36Å
436	N	89.2	Confident	79.3	Confident	44 Å²	44	80.5 Å²	80.5	24%	0.235	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-20.2	-180	-65.2	4.6	0	0	0	112.6	I432 S433 E434 F564	I432-N436 WeakPolarHBondContact O-CB 3.32Å; I432-N436 PolarHBondContact O-N 3.29Å; I432-N436 PolarHBondContact O-OD1 3.42Å; S433-N436 PolarHBondContact O-N 2.98Å; E434-N436 PolarHBondContact O-N 3.3Å; N436-F564 PolarHBondContact ND2-N 2.77Å; N436-F564 PolarHBondContact ND2-O 3.11Å
437	S	85.4	Confident	78.6	Confident	87 Å²	87	78.3 Å²	78.3	61%	0.608	41%	0.41	S	S	*	.	H	α-helix	trans	-92.5	-6.8	178.8	74	0	0	0	0	115	S433 E434 R435	S433-S437 WeakPolarHBondContact O-CB 3.47Å; S433-S437 PolarHBondContact O-N 2.83Å; S433-S437 PolarHBondContact O-OG 2.61Å; E434-S437 WeakPolarHBondContact CA-OG 3.32Å; E434-S437 PolarHBondContact O-N 3.14Å; E434-S437 PolarHBondContact O-OG 3.33Å; R435-S437 PolarHBondContact O-N 2.91Å
438	R	78.2	Confident	77.9	Confident	163 Å²	163	82.3 Å²	82.3	62%	0.615	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-66.8	130.3	179.3	-71	-177.7	-179.2	-172	-1.4	110.1	E434 R435 L440	E434-R438 PolarHBondContact O-N 2.93Å; R435-R438 PolarHBondContact O-N 2.86Å; R438-L440 PolarHBondContact O-N 2.97Å
439	P	65.3	Low	77.4	Confident	112 Å²	112	83.1 Å²	83.1	73%	0.727	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-62.7	136.9	164.5	28.8	-33	0	0	0	108.6	E441	P439-E441 PolarHBondContact O-N 2.91Å
440	L	62.5	Low	76.9	Confident	81 Å²	81	84.7 Å²	84.7	42%	0.424	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-72.4	120.6	166.4	-79.9	83.8	0	0	0	107.8	R438 P445 D450	R438-L440 PolarHBondContact O-N 2.97Å; L440-P445 HydrophobicContact CD1-CG 4.28Å; L440-P445 HydrophobicContact CD2-CB 4Å; L440-P445 HydrophobicContact CD2-CG 4Å; L440-P445 HydrophobicContact CG-CG 4.49Å; L440-D450 HydrophobicContact CD2-CB 4.2Å
441	E	54.8	Low	76.5	Confident	171 Å²	171	83.4 Å²	83.4	80%	0.799	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-73.9	129	179.3	-66.2	179.2	145.9	0	0	110.3	P439 H443	P439-E441 PolarHBondContact O-N 2.91Å; E441-H443 PolarHBondContact O-N 3.15Å
442	E	51.8	Low	76.2	Confident	194 Å²	194	83.4 Å²	83.4	91%	0.907	45%	0.446	S	S	*	.	S	Bend	trans	52.2	-3.3	168.6	-54.8	-161.2	154	0	0	119.5
443	H	57.8	Low	76.1	Confident	148 Å²	148	87.3 Å²	87.3	69%	0.685	47%	0.467	S	S	*	.	S	Bend	trans	-124.7	136.7	-178.4	-69.2	-5.1	0	0	0	112.2	E441	E441-H443 PolarHBondContact O-N 3.15Å
444	I	61.9	Low	76	Confident	153 Å²	153	86.2 Å²	86.2	79%	0.785	46%	0.461	S	S	*	.			trans	-66.6	124.3	177.4	-60.4	172.5	0	0	0	108.2	T446	I444-T446 PolarHBondContact O-N 3.06Å; I444-T446 VanDerWaalsContact O-N 3.12Å; I444-T446 PolarHBondContact O-OG1 2.84Å
445	P	62.4	Low	75.8	Confident	78 Å²	78	89 Å²	89	51%	0.506	47%	0.474	S	S	.	.			trans	-57.1	119.4	177.9	-18.6	27.2	0	0	0	110.1	L440	L440-P445 HydrophobicContact CD1-CG 4.28Å; L440-P445 HydrophobicContact CD2-CB 4Å; L440-P445 HydrophobicContact CD2-CG 4Å; L440-P445 HydrophobicContact CG-CG 4.49Å
446	T	68.8	Low	75.8	Confident	132 Å²	132	91.2 Å²	91.2	81%	0.81	49%	0.487	S	S	*	.	S	Bend	trans	-92.4	-25.1	-177.4	-58.8	0	0	0	0	110.9	I444 D450	I444-T446 PolarHBondContact O-N 3.06Å; I444-T446 VanDerWaalsContact O-N 3.12Å; I444-T446 PolarHBondContact O-OG1 2.84Å; T446-D450 WeakPolarHBondContact CA-OD2 2.87Å; T446-D450 PolarHBondContact N-OD2 2.86Å
447	S	76.7	Confident	76	Confident	23 Å²	23	89.1 Å²	89.1	16%	0.161	48%	0.476	C	S	.	.	S	Bend	trans	-143.5	156.2	164.3	92.2	0	0	0	0	111.5	Y449 D450 R589	S447-Y449 PolarHBondContact O-N 3.11Å; S447-Y449 VanDerWaalsContact O-N 3.09Å; S447-Y449 PolarHBondContact OG-N 3.42Å; S447-D450 WeakPolarHBondContact CB-OD1 3.3Å; S447-D450 VanDerWaalsContact N-CG 3.34Å; S447-D450 PolarHBondContact N-OD1 2.8Å; S447-D450 PolarHBondContact N-OD2 3.29Å; S447-D450 WeakPolarHBondContact O-CB 3.31Å; S447-D450 PolarHBondContact O-N 2.81Å; S447-D450 PolarHBondContact OG-OD1 3.19Å; S447-R589 PolarHBondContact OG-NH2 2.87Å
448	P	79.1	Confident	76.4	Confident	93 Å²	93	87.2 Å²	87.2	60%	0.604	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.4	176.8	28.8	-36.5	0	0	0	113.3	P563	P448-P563 WeakPolarHBondContact O-CG 3.14Å
449	Y	85.1	Confident	77.1	Confident	17 Å²	17	81.7 Å²	81.7	7%	0.067	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.4	178.3	-52.8	-68.5	0	0	0	113.3	S447 C451 V452 S585 F586 R589	S447-Y449 PolarHBondContact O-N 3.11Å; S447-Y449 VanDerWaalsContact O-N 3.09Å; S447-Y449 PolarHBondContact OG-N 3.42Å; Y449-C451 PolarHBondContact O-N 2.91Å; Y449-C451 VanDerWaalsContact O-N 3.13Å; Y449-V452 WeakPolarHBondContact O-CB 3.18Å; Y449-V452 PolarHBondContact O-N 2.83Å; Y449-S585 PolarHBondContact OH-OG 2.95Å; Y449-F586 HydrophobicContact CE1-CD2 4.1Å; Y449-F586 PolarHBondContact OH-N 3.16Å; Y449-R589 HydrophobicContact CD2-CG 4.47Å
450	D	81.8	Confident	78.6	Confident	68 Å²	68	76.5 Å²	76.5	36%	0.364	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	-171	-61.4	-3.4	0	0	0	113	L440 T446 S447 V452 R589	L440-D450 HydrophobicContact CD2-CB 4.2Å; T446-D450 WeakPolarHBondContact CA-OD2 2.87Å; T446-D450 PolarHBondContact N-OD2 2.86Å; S447-D450 WeakPolarHBondContact CB-OD1 3.3Å; S447-D450 VanDerWaalsContact N-CG 3.34Å; S447-D450 PolarHBondContact N-OD1 2.8Å; S447-D450 PolarHBondContact N-OD2 3.29Å; S447-D450 WeakPolarHBondContact O-CB 3.31Å; S447-D450 PolarHBondContact O-N 2.81Å; S447-D450 PolarHBondContact OG-OD1 3.19Å; D450-V452 VanDerWaalsContact C-N 3.34Å; D450-R589 IonicContact OD1-NH2 3.63Å
451	C	84.6	Confident	80.2	Confident	37 Å²	37	72.7 Å²	72.7	25%	0.25	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.2	171.8	67.1	0	0	0	0	114.4	R435 Y449 P563	R435-C451 VanDerWaalsContact CD-O 3.3Å; R435-C451 WeakPolarHBondContact CD-O 3.46Å; R435-C451 VanDerWaalsContact CG-O 3.31Å; R435-C451 WeakPolarHBondContact CG-O 3.42Å; Y449-C451 PolarHBondContact O-N 2.91Å; Y449-C451 VanDerWaalsContact O-N 3.13Å; C451-P563 VanDerWaalsContact SG-CG 3.52Å
452	V	88.9	Confident	82.2	Confident	14 Å²	14	66.3 Å²	66.3	9%	0.085	36%	0.356	C	S	.	.			trans	-96.4	100	178.8	-173.9	0	0	0	0	110.3	Y449 D450 A454 F561 P563	Y449-V452 WeakPolarHBondContact O-CB 3.18Å; Y449-V452 PolarHBondContact O-N 2.83Å; D450-V452 VanDerWaalsContact C-N 3.34Å; V452-A454 PolarHBondContact O-N 3.21Å; V452-F561 HydrophobicContact CG1-CD1 4.2Å; V452-P563 HydrophobicContact CG2-CG 3.39Å
453	D	89.5	Confident	84.4	Confident	90 Å²	90	59.6 Å²	59.6	48%	0.481	33%	0.326	S	S	.	.			trans	-62.3	105	160.7	178.7	-19.6	0	0	0	108.9	E455 L456 T457	D453-E455 PolarHBondContact OD1-N 3.05Å; D453-L456 HydrophobicContact CB-CB 4.08Å; D453-L456 PolarHBondContact OD1-N 3.14Å; D453-L456 WeakPolarHBondContact OD2-CB 3.44Å; D453-T457 WeakPolarHBondContact O-CB 3.35Å; D453-T457 PolarHBondContact O-N 2.82Å; D453-T457 PolarHBondContact O-OG1 2.96Å
454	A	89.8	Confident	86.3	Confident	25 Å²	25	52.6 Å²	52.6	21%	0.207	29%	0.293	C	S	.	.	H	α-helix	trans	-73	-30	-174	0	0	0	0	0	113.4	V452 L458 F561 W590	V452-A454 PolarHBondContact O-N 3.21Å; A454-L458 WeakPolarHBondContact O-CB 3.26Å; A454-L458 VanDerWaalsContact O-CG 3.31Å; A454-L458 WeakPolarHBondContact O-CG 3.33Å; A454-L458 PolarHBondContact O-N 2.84Å; A454-F561 HydrophobicContact CB-CE1 4.44Å; A454-W590 HydrophobicContact CB-CH2 3.28Å; A454-W590 HydrophobicContact CB-CZ2 3.88Å; A454-W590 HydrophobicContact CB-CZ3 4.01Å
455	E	87.8	Confident	88	Confident	128 Å²	128	45.3 Å²	45.3	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-74.2	-49.6	-179.9	-175.1	175.7	167.5	0	0	109.9	D453 T457 L458 N459	D453-E455 PolarHBondContact OD1-N 3.05Å; E455-T457 VanDerWaalsContact C-N 3.29Å; E455-T457 PolarHBondContact O-N 3.11Å; E455-L458 PolarHBondContact O-N 3.12Å; E455-N459 WeakPolarHBondContact O-CB 3.47Å; E455-N459 PolarHBondContact O-N 3.38Å; E455-N459 PolarHBondContact O-ND2 3.32Å
456	L	90.6	Very high	89.7	Confident	58 Å²	58	44.5 Å²	44.5	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-57.9	-43.1	172.6	179.7	58	0	0	0	111.2	W431 D453 N459 L460	W431-L456 HydrophobicContact CZ2-CD2 3.92Å; W431-L456 HydrophobicContact CZ2-CG 4.24Å; D453-L456 HydrophobicContact CB-CB 4.08Å; D453-L456 PolarHBondContact OD1-N 3.14Å; D453-L456 WeakPolarHBondContact OD2-CB 3.44Å; L456-N459 PolarHBondContact O-N 2.87Å; L456-L460 HydrophobicContact CD1-CG 4.44Å; L456-L460 HydrophobicContact CG-CD1 4.46Å; L456-L460 VanDerWaalsContact O-CG 3.32Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.19Å
457	T	93.9	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.9	-36.4	-179.3	-53.5	0	0	0	0	112.4	D453 E455 L461 L560 F561	D453-T457 WeakPolarHBondContact O-CB 3.35Å; D453-T457 PolarHBondContact O-N 2.82Å; D453-T457 PolarHBondContact O-OG1 2.96Å; E455-T457 VanDerWaalsContact C-N 3.29Å; E455-T457 PolarHBondContact O-N 3.11Å; T457-L461 PolarHBondContact O-N 2.99Å; T457-L560 HydrophobicContact CG2-CB 3.68Å; T457-L560 HydrophobicContact CG2-CD1 4.43Å; T457-L560 HydrophobicContact CG2-CD2 4.13Å; T457-L560 HydrophobicContact CG2-CG 4.3Å; T457-L560 WeakPolarHBondContact CG2-O 3.38Å; T457-F561 HydrophobicContact CG2-CD1 4.23Å; T457-F561 HydrophobicContact CG2-CD2 3.67Å; T457-F561 HydrophobicContact CG2-CE1 3.96Å; T457-F561 HydrophobicContact CG2-CE2 3.38Å; T457-F561 HydrophobicContact CG2-CG 4.1Å; T457-F561 HydrophobicContact CG2-CZ 3.51Å
458	L	93.5	Very high	92.1	Very high	46 Å²	46	37.1 Å²	37.1	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-40.6	171.2	-79.8	176.2	0	0	0	111.8	A454 E455 L461 R462 F561 L619 F620	A454-L458 WeakPolarHBondContact O-CB 3.26Å; A454-L458 VanDerWaalsContact O-CG 3.31Å; A454-L458 WeakPolarHBondContact O-CG 3.33Å; A454-L458 PolarHBondContact O-N 2.84Å; E455-L458 PolarHBondContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 3.35Å; L458-R462 PolarHBondContact O-N 3.32Å; L458-F561 HydrophobicContact CB-CZ 4.46Å; L458-F561 HydrophobicContact CD2-CE1 4.49Å; L458-F561 HydrophobicContact CD2-CE2 4.45Å; L458-F561 HydrophobicContact CD2-CZ 3.73Å; L458-F561 HydrophobicContact CG-CE1 4.3Å; L458-F561 HydrophobicContact CG-CZ 3.76Å; L458-L619 HydrophobicContact CD2-CD1 4.05Å; L458-L619 HydrophobicContact CD2-CG 4.44Å; L458-F620 HydrophobicContact CD2-CE1 4.17Å
459	N	92.8	Very high	92.9	Very high	47 Å²	47	35.5 Å²	35.5	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-39.5	178	-70.5	-23.7	0	0	0	111.6	E455 L456 R462 N463	E455-N459 WeakPolarHBondContact O-CB 3.47Å; E455-N459 PolarHBondContact O-N 3.38Å; E455-N459 PolarHBondContact O-ND2 3.32Å; L456-N459 PolarHBondContact O-N 2.87Å; N459-R462 PolarHBondContact O-N 3.01Å; N459-R462 PolarHBondContact OD1-NH1 3.49Å; N459-N463 WeakPolarHBondContact O-CB 3.33Å; N459-N463 VanDerWaalsContact O-CG 3.26Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.25Å
460	L	95.9	Very high	93.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-47.5	169.2	-71.2	175.5	0	0	0	111.3	L428 W431 L456 R462 N463 I464 L488 C493 V495	L428-L460 HydrophobicContact CD1-CD1 4.25Å; W431-L460 HydrophobicContact CD2-CD1 4.28Å; W431-L460 HydrophobicContact CE3-CD1 4.28Å; W431-L460 HydrophobicContact CH2-CD1 3.77Å; W431-L460 HydrophobicContact CZ2-CD1 3.74Å; W431-L460 HydrophobicContact CZ3-CD1 4.04Å; L456-L460 HydrophobicContact CD1-CG 4.44Å; L456-L460 HydrophobicContact CG-CD1 4.46Å; L456-L460 VanDerWaalsContact O-CG 3.32Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.19Å; L460-R462 PolarHBondContact O-N 3.43Å; L460-N463 PolarHBondContact O-N 2.89Å; L460-I464 VanDerWaalsContact O-CG1 3.27Å; L460-I464 WeakPolarHBondContact O-CG1 3.49Å; L460-I464 PolarHBondContact O-N 3.44Å; L460-L488 HydrophobicContact CD2-CD2 3.7Å; L460-C493 HydrophobicContact CD2-CB 4.42Å; L460-V495 HydrophobicContact CD2-CG2 3.64Å
461	L	97.4	Very high	94.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-39.5	178.8	-176.8	61.1	0	0	0	112.7	T457 L458 I464 L465 V553 A557 L560 F561 L593 L619 F620	T457-L461 PolarHBondContact O-N 2.99Å; L458-L461 PolarHBondContact O-N 3.35Å; L461-I464 PolarHBondContact O-N 3.4Å; L461-L465 HydrophobicContact CG-CD1 4.38Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 2.64Å; L461-V553 HydrophobicContact CD1-CG1 4.16Å; L461-A557 HydrophobicContact CD1-CB 4.12Å; L461-A557 HydrophobicContact CD2-CB 4.11Å; L461-L560 HydrophobicContact CB-CD1 4.08Å; L461-L560 HydrophobicContact CD1-CD1 4.19Å; L461-F561 HydrophobicContact CD2-CE2 4.4Å; L461-L593 HydrophobicContact CD2-CD1 4.09Å; L461-L619 HydrophobicContact CD2-CD2 4.36Å; L461-F620 HydrophobicContact CD2-CZ 4.21Å; L461-F620 HydrophobicContact CG-CZ 4.13Å
462	R	96.4	Very high	94.6	Very high	37 Å²	37	33 Å²	33	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-46.2	174.7	-169.1	-174.2	-59.9	103.2	7.7	111.8	L458 N459 L460 I464 L465 H466 L615 F620 M625	L458-R462 PolarHBondContact O-N 3.32Å; N459-R462 PolarHBondContact O-N 3.01Å; N459-R462 PolarHBondContact OD1-NH1 3.49Å; L460-R462 PolarHBondContact O-N 3.43Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 2.96Å; R462-L465 WeakPolarHBondContact O-CA 3.32Å; R462-L465 WeakPolarHBondContact O-CB 3.44Å; R462-L465 PolarHBondContact O-N 3.16Å; R462-H466 PolarHBondContact O-CD2 3.48Å; R462-H466 PolarHBondContact O-N 2.92Å; R462-L615 HydrophobicContact CG-CD2 3.56Å; R462-F620 HydrophobicContact CB-CD1 4.2Å; R462-F620 HydrophobicContact CB-CE1 3.97Å; R462-F620 HydrophobicContact CB-CZ 4.43Å; R462-M625 PolarHBondContact NH2-SD 2.92Å
463	N	96.7	Very high	94.9	Very high	52 Å²	52	36.7 Å²	36.7	28%	0.278	19%	0.192	S	C	.	.	H	α-helix	trans	-67.4	-30.3	179.7	-70.1	-19.4	0	0	0	112.5	N249 N459 L460 G467 V495	N249-N463 VanDerWaalsContact CB-O 3.31Å; N249-N463 WeakPolarHBondContact CB-O 3.35Å; N249-N463 PolarHBondContact OD1-O 3.31Å; N459-N463 WeakPolarHBondContact O-CB 3.33Å; N459-N463 VanDerWaalsContact O-CG 3.26Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.25Å; L460-N463 PolarHBondContact O-N 2.89Å; N463-G467 PolarHBondContact O-N 3.38Å; N463-V495 HydrophobicContact CB-CB 3.81Å; N463-V495 HydrophobicContact CB-CG2 3.71Å
464	I	98.2	Very high	94.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-45.8	167.6	-67.1	167.7	0	0	0	110.1	L428 L460 L461 R462 G467 V468 I486 V495 L556 L560	L428-I464 HydrophobicContact CD2-CD1 3.79Å; L460-I464 VanDerWaalsContact O-CG1 3.27Å; L460-I464 WeakPolarHBondContact O-CG1 3.49Å; L460-I464 PolarHBondContact O-N 3.44Å; L461-I464 PolarHBondContact O-N 3.4Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 2.96Å; I464-G467 WeakPolarHBondContact O-CA 3.36Å; I464-G467 PolarHBondContact O-N 2.87Å; I464-G467 VanDerWaalsContact O-N 3.15Å; I464-V468 HydrophobicContact CG2-CG2 4.38Å; I464-V468 WeakPolarHBondContact O-CG2 3.28Å; I464-V468 PolarHBondContact O-N 2.61Å; I464-I486 HydrophobicContact CD1-CD1 3.88Å; I464-I486 HydrophobicContact CD1-CG2 4.35Å; I464-I486 HydrophobicContact CG1-CD1 3.96Å; I464-I486 HydrophobicContact CG1-CG2 4.15Å; I464-I486 HydrophobicContact CG2-CD1 3.85Å; I464-V495 HydrophobicContact CB-CG1 4.47Å; I464-V495 HydrophobicContact CG1-CG1 3.61Å; I464-V495 HydrophobicContact CG1-CG2 4.23Å; I464-L556 HydrophobicContact CD1-CD2 3.64Å; I464-L560 HydrophobicContact CD1-CD1 4.37Å
465	L	98.1	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-41.8	-178.8	-77.2	166.2	0	0	0	113.4	L461 R462 G467 V468 E469 M550 V553 A611 L614 L615 F620	L461-L465 HydrophobicContact CG-CD1 4.38Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 2.64Å; R462-L465 WeakPolarHBondContact O-CA 3.32Å; R462-L465 WeakPolarHBondContact O-CB 3.44Å; R462-L465 PolarHBondContact O-N 3.16Å; L465-G467 VanDerWaalsContact C-N 3.28Å; L465-G467 PolarHBondContact O-N 2.68Å; L465-V468 PolarHBondContact O-N 2.95Å; L465-V468 VanDerWaalsContact O-N 3.13Å; L465-E469 VanDerWaalsContact O-CB 3.27Å; L465-E469 WeakPolarHBondContact O-CB 3.48Å; L465-E469 PolarHBondContact O-N 3.36Å; L465-M550 HydrophobicContact CD2-CE 3.85Å; L465-V553 HydrophobicContact CD2-CG1 4.02Å; L465-A611 HydrophobicContact CD2-CB 4.13Å; L465-L614 HydrophobicContact CD1-CB 4.49Å; L465-L614 HydrophobicContact CD1-CD2 3.71Å; L465-L614 HydrophobicContact CD1-CG 3.96Å; L465-L614 HydrophobicContact CD2-CD2 3.88Å; L465-L614 HydrophobicContact CG-CD2 4.45Å; L465-L615 HydrophobicContact CB-CD1 4.17Å; L465-L615 HydrophobicContact CB-CD2 3.72Å; L465-L615 HydrophobicContact CB-CG 3.91Å; L465-L615 HydrophobicContact CD1-CD2 4.29Å; L465-L615 HydrophobicContact CD1-CG 4.49Å; L465-F620 HydrophobicContact CD1-CE2 3.51Å; L465-F620 HydrophobicContact CD1-CZ 3.59Å
466	H	98.1	Very high	95	Very high	61 Å²	61	32.3 Å²	32.3	28%	0.282	17%	0.168	S	C	.	.	H	α-helix	trans	-62.2	-35.8	172.1	-69.8	-53.9	0	0	0	112.4	R462 E469 Y470 L615	R462-H466 PolarHBondContact O-CD2 3.48Å; R462-H466 PolarHBondContact O-N 2.92Å; H466-E469 IonicContact CE1-OE2 2.66Å; H466-E469 IonicContact ND1-OE2 2.7Å; H466-E469 PolarHBondContact ND1-OE2 3.46Å; H466-E469 VanDerWaalsContact ND1-OE2 3.08Å; H466-Y470 VanDerWaalsContact O-CB 3.29Å; H466-Y470 WeakPolarHBondContact O-CB 3.33Å; H466-Y470 PolarHBondContact O-N 3.12Å; H466-L615 WeakPolarHBondContact ND1-CD1 3.5Å
467	G	97.6	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-40.9	171.2	0	0	0	0	0	113.2	N463 I464 L465 I471	N463-G467 PolarHBondContact O-N 3.38Å; I464-G467 WeakPolarHBondContact O-CA 3.36Å; I464-G467 PolarHBondContact O-N 2.87Å; I464-G467 VanDerWaalsContact O-N 3.15Å; L465-G467 VanDerWaalsContact C-N 3.28Å; L465-G467 PolarHBondContact O-N 2.68Å; G467-I471 PolarHBondContact O-N 3.1Å
468	V	97.7	Very high	94.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.3	-43.7	178	174.9	0	0	0	0	111.8	I464 L465 Y470 I471 H472 L481 I497 M550 V553 A611	I464-V468 HydrophobicContact CG2-CG2 4.38Å; I464-V468 WeakPolarHBondContact O-CG2 3.28Å; I464-V468 PolarHBondContact O-N 2.61Å; L465-V468 PolarHBondContact O-N 2.95Å; L465-V468 VanDerWaalsContact O-N 3.13Å; V468-Y470 VanDerWaalsContact C-N 3.34Å; V468-Y470 PolarHBondContact O-N 3.29Å; V468-I471 WeakPolarHBondContact O-CG1 3.48Å; V468-I471 PolarHBondContact O-N 3.33Å; V468-H472 WeakPolarHBondContact CG1-CE1 3.3Å; V468-H472 WeakPolarHBondContact O-CB 3.32Å; V468-H472 VanDerWaalsContact O-CG 3.26Å; V468-H472 PolarHBondContact O-N 2.94Å; V468-L481 HydrophobicContact CG2-CD1 3.76Å; V468-L481 HydrophobicContact CG2-CD2 4.49Å; V468-I497 HydrophobicContact CG2-CD1 3.96Å; V468-M550 HydrophobicContact CG1-SD 3.9Å; V468-V553 HydrophobicContact CG2-CG2 4.16Å; V468-A611 HydrophobicContact CB-CB 4.48Å; V468-A611 HydrophobicContact CG1-CB 4.23Å
469	E	97.4	Very high	94.6	Very high	60 Å²	60	28.8 Å²	28.8	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-56.3	-45.1	173.1	175.9	174	-116.6	0	0	112.2	L465 H466 I471 H472 S473 A611 S612 L615	L465-E469 VanDerWaalsContact O-CB 3.27Å; L465-E469 WeakPolarHBondContact O-CB 3.48Å; L465-E469 PolarHBondContact O-N 3.36Å; H466-E469 IonicContact CE1-OE2 2.66Å; H466-E469 IonicContact ND1-OE2 2.7Å; H466-E469 PolarHBondContact ND1-OE2 3.46Å; H466-E469 VanDerWaalsContact ND1-OE2 3.08Å; E469-I471 PolarHBondContact O-N 3.2Å; E469-H472 PolarHBondContact O-N 3Å; E469-S473 WeakPolarHBondContact O-CB 3.41Å; E469-S473 PolarHBondContact O-N 3.33Å; E469-S473 PolarHBondContact O-OG 3.36Å; E469-A611 HydrophobicContact CB-CB 3.83Å; E469-S612 VanDerWaalsContact OE1-CA 3.24Å; E469-S612 WeakPolarHBondContact OE1-CA 3.37Å; E469-S612 VanDerWaalsContact OE1-CB 3.22Å; E469-S612 WeakPolarHBondContact OE1-CB 3.36Å; E469-L615 HydrophobicContact CB-CD1 4.46Å; E469-L615 VanDerWaalsContact OE2-CD1 3.22Å; E469-L615 WeakPolarHBondContact OE2-CD1 3.16Å
470	Y	97.1	Very high	94.4	Very high	30 Å²	30	28.3 Å²	28.3	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-40.2	178.2	176.3	-96.3	0	0	0	113.4	L245 Q246 H247 I250 H466 V468 S473 R474	L245-Y470 HydrophobicContact CB-CE1 4.24Å; L245-Y470 HydrophobicContact CD2-CD1 4.23Å; L245-Y470 HydrophobicContact CD2-CE1 3.62Å; Q246-Y470 VanDerWaalsContact C-OH 3.29Å; Q246-Y470 PolarHBondContact N-OH 3.41Å; Q246-Y470 PolarHBondContact O-OH 3.48Å; H247-Y470 HydrophobicContact CB-CD1 3.49Å; H247-Y470 VanDerWaalsContact CB-CD1 3.49Å; H247-Y470 HydrophobicContact CB-CD2 3.72Å; H247-Y470 HydrophobicContact CB-CE1 3.51Å; H247-Y470 HydrophobicContact CB-CE2 3.74Å; H247-Y470 HydrophobicContact CB-CG 3.59Å; H247-Y470 AromaticContact CD2-CD2 3.84Å; H247-Y470 AromaticContact CG-CD1 3.95Å; H247-Y470 AromaticContact CG-CD2 3.76Å; H247-Y470 AromaticContact CG-CG 3.59Å; H247-Y470 AromaticContact ND1-CG 3.91Å; I250-Y470 HydrophobicContact CD1-CD1 4.48Å; I250-Y470 HydrophobicContact CG1-CD1 3.93Å; I250-Y470 HydrophobicContact CG1-CE1 4.32Å; H466-Y470 VanDerWaalsContact O-CB 3.29Å; H466-Y470 WeakPolarHBondContact O-CB 3.33Å; H466-Y470 PolarHBondContact O-N 3.12Å; V468-Y470 VanDerWaalsContact C-N 3.34Å; V468-Y470 PolarHBondContact O-N 3.29Å; Y470-S473 PolarHBondContact O-OG 3Å; Y470-S473 VanDerWaalsContact O-OG 3.05Å; Y470-R474 PolarHBondContact OH-NE 3.2Å; Y470-R474 PolarHBondContact OH-NH1 3.26Å; Y470-R474 PolarHBondContact OH-NH2 2.86Å
471	I	94.9	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.2	-39.8	177.6	61.9	172.6	0	0	0	111.2	L245 I250 G467 V468 E469 S473 R474 G475 I476 H478 F500	L245-I471 HydrophobicContact CD1-CG2 4.18Å; L245-I471 HydrophobicContact CD2-CG2 4.02Å; I250-I471 HydrophobicContact CD1-CG2 3.81Å; G467-I471 PolarHBondContact O-N 3.1Å; V468-I471 WeakPolarHBondContact O-CG1 3.48Å; V468-I471 PolarHBondContact O-N 3.33Å; E469-I471 PolarHBondContact O-N 3.2Å; I471-S473 PolarHBondContact O-N 3.24Å; I471-R474 CarbonylContact O-C 3.59Å; I471-R474 WeakPolarHBondContact O-CA 3.34Å; I471-R474 PolarHBondContact O-N 2.89Å; I471-G475 PolarHBondContact O-N 3.28Å; I471-I476 CarbonylContact C-O 3.59Å; I471-I476 VanDerWaalsContact C-O 3.27Å; I471-I476 HydrophobicContact CB-CB 4.17Å; I471-I476 HydrophobicContact CB-CG2 4.23Å; I471-I476 WeakPolarHBondContact CB-O 3.46Å; I471-I476 WeakPolarHBondContact CG1-O 3.42Å; I471-I476 WeakPolarHBondContact O-CA 3.36Å; I471-I476 PolarHBondContact O-N 3.16Å; I471-H478 HydrophobicContact CD1-CB 3.66Å; I471-F500 HydrophobicContact CD1-CE1 4.36Å; I471-F500 HydrophobicContact CG2-CE1 3.92Å; I471-F500 HydrophobicContact CG2-CZ 4.03Å
472	H	94.9	Very high	94.1	Very high	38 Å²	38	29.4 Å²	29.4	18%	0.176	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-39.7	178.9	-71.5	179.5	0	0	0	112.4	V468 E469 R474 G475 S546 D549	V468-H472 WeakPolarHBondContact CG1-CE1 3.3Å; V468-H472 WeakPolarHBondContact O-CB 3.32Å; V468-H472 VanDerWaalsContact O-CG 3.26Å; V468-H472 PolarHBondContact O-N 2.94Å; E469-H472 PolarHBondContact O-N 3Å; H472-R474 PolarHBondContact O-N 3.04Å; H472-G475 PolarHBondContact O-N 2.89Å; H472-S546 PolarHBondContact CE1-O 3.41Å; H472-D549 IonicContact CD2-OD2 3.74Å; H472-D549 IonicContact CE1-OD2 2.69Å; H472-D549 WeakPolarHBondContact NE2-CB 3.31Å; H472-D549 IonicContact NE2-OD2 2.63Å; H472-D549 PolarHBondContact NE2-OD2 3.15Å
473	S	93.9	Very high	94	Very high	93 Å²	93	27.7 Å²	27.7	65%	0.65	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16	173.1	53.8	0	0	0	0	113.8	E469 Y470 I471	E469-S473 WeakPolarHBondContact O-CB 3.41Å; E469-S473 PolarHBondContact O-N 3.33Å; E469-S473 PolarHBondContact O-OG 3.36Å; Y470-S473 PolarHBondContact O-OG 3Å; Y470-S473 VanDerWaalsContact O-OG 3.05Å; I471-S473 PolarHBondContact O-N 3.24Å
474	R	90.9	Very high	93.7	Very high	118 Å²	118	32.2 Å²	32.2	45%	0.445	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.2	170.2	-66.7	-173.7	171.1	-135.4	-9.7	113.5	S244 Y470 I471 H472 I476	S244-R474 PolarHBondContact O-NH1 2.96Å; Y470-R474 PolarHBondContact OH-NE 3.2Å; Y470-R474 PolarHBondContact OH-NH1 3.26Å; Y470-R474 PolarHBondContact OH-NH2 2.86Å; I471-R474 CarbonylContact O-C 3.59Å; I471-R474 WeakPolarHBondContact O-CA 3.34Å; I471-R474 PolarHBondContact O-N 2.89Å; H472-R474 PolarHBondContact O-N 3.04Å; R474-I476 HydrophobicContact CB-CD1 4.16Å; R474-I476 PolarHBondContact O-N 3.26Å
475	G	89.1	Confident	93.5	Very high	33 Å²	33	32.5 Å²	32.5	34%	0.34	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-3.7	-175.1	0	0	0	0	0	114.7	I471 H472 M477 R505	I471-G475 PolarHBondContact O-N 3.28Å; H472-G475 PolarHBondContact O-N 2.89Å; G475-M477 PolarHBondContact O-N 2.7Å; G475-R505 CarbonylContact C-O 3.48Å; G475-R505 CarbonylContact O-C 3.6Å; G475-R505 VanDerWaalsContact O-C 3.28Å; G475-R505 WeakPolarHBondContact O-CA 3.25Å
476	I	89.7	Confident	93.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.			trans	-86.2	109.1	-169.4	-67.2	159.7	0	0	0	110.4	V241 L245 I471 R474 F500 A503 C504 R505	V241-I476 HydrophobicContact CG1-CD1 4.29Å; V241-I476 HydrophobicContact CG1-CG2 3.95Å; L245-I476 HydrophobicContact CD2-CD1 3.7Å; L245-I476 HydrophobicContact CG-CD1 4.23Å; I471-I476 CarbonylContact C-O 3.59Å; I471-I476 VanDerWaalsContact C-O 3.27Å; I471-I476 HydrophobicContact CB-CB 4.17Å; I471-I476 HydrophobicContact CB-CG2 4.23Å; I471-I476 WeakPolarHBondContact CB-O 3.46Å; I471-I476 WeakPolarHBondContact CG1-O 3.42Å; I471-I476 WeakPolarHBondContact O-CA 3.36Å; I471-I476 PolarHBondContact O-N 3.16Å; R474-I476 HydrophobicContact CB-CD1 4.16Å; R474-I476 PolarHBondContact O-N 3.26Å; I476-F500 HydrophobicContact CG2-CD1 4.29Å; I476-F500 HydrophobicContact CG2-CE1 4.21Å; I476-A503 HydrophobicContact CG2-CB 4.22Å; I476-C504 WeakPolarHBondContact CA-O 3.5Å; I476-R505 HydrophobicContact CD1-CG 4.4Å; I476-R505 HydrophobicContact CG1-CG 3.65Å
477	M	89.1	Confident	93.3	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.034	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-80	138.8	165.3	-64.8	160.3	-97.3	0	0	110	G475 R479 A503 C504 D506 M507 D545 D549	G475-M477 PolarHBondContact O-N 2.7Å; M477-R479 HydrophobicContact CB-CG 3.78Å; M477-R479 PolarHBondContact SD-NH2 2.99Å; M477-A503 WeakPolarHBondContact O-CA 3.27Å; M477-A503 VanDerWaalsContact O-CB 3.31Å; M477-A503 WeakPolarHBondContact O-CB 3.33Å; M477-C504 PolarHBondContact N-O 3.23Å; M477-C504 PolarHBondContact O-N 3.04Å; M477-D506 WeakPolarHBondContact CE-O 3.28Å; M477-M507 HydrophobicContact CE-CG 4.37Å; M477-D545 VanDerWaalsContact SD-C 3.59Å; M477-D549 WeakPolarHBondContact CA-OD2 3.19Å
478	H	91.4	Very high	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.			trans	-85.3	-43.6	179.8	-172.9	-91	0	0	0	112.9	I471 D480 L481 G498 F500 D549	I471-H478 HydrophobicContact CD1-CB 3.66Å; H478-D480 PolarHBondContact CE1-O 3.37Å; H478-D480 VanDerWaalsContact ND1-C 3.3Å; H478-D480 PolarHBondContact ND1-N 3.46Å; H478-D480 PolarHBondContact O-N 2.66Å; H478-L481 HydrophobicContact CB-CD1 4.45Å; H478-L481 HydrophobicContact CB-CD2 4.01Å; H478-L481 HydrophobicContact CB-CG 3.88Å; H478-L481 WeakPolarHBondContact ND1-CD2 3.36Å; H478-L481 PolarHBondContact ND1-N 2.92Å; H478-G498 PolarHBondContact NE2-O 3.49Å; H478-G498 VanDerWaalsContact NE2-O 3.11Å; H478-F500 AromaticContact CD2-CD1 3.89Å; H478-F500 AromaticContact CD2-CE1 3.73Å; H478-F500 AromaticContact CD2-CZ 3.87Å; H478-D549 PolarHBondContact N-OD2 2.91Å
479	R	88.1	Confident	92.7	Very high	23 Å²	23	35.2 Å²	35.2	9%	0.087	17%	0.171	C	C	.	.	S	Bend	trans	69.2	-8.9	171.3	-55.6	169	159.6	-172.7	-1.6	116.4	M477 L502 Q538 Y544 D549	M477-R479 HydrophobicContact CB-CG 3.78Å; M477-R479 PolarHBondContact SD-NH2 2.99Å; R479-L502 HydrophobicContact CB-CB 4.34Å; R479-L502 VanDerWaalsContact CD-O 3.3Å; R479-L502 WeakPolarHBondContact CD-O 3.34Å; R479-Q538 PolarHBondContact O-NE2 2.93Å; R479-Y544 HydrophobicContact CB-CE2 4.26Å; R479-Y544 HydrophobicContact CG-CD2 4.5Å; R479-Y544 HydrophobicContact CG-CE2 3.73Å; R479-Y544 PolarHBondContact NH1-OH 2.68Å; R479-D549 WeakPolarHBondContact CA-OD1 3.41Å; R479-D549 PolarHBondContact N-OD1 3.45Å
480	D	89.5	Confident	92.1	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.193	17%	0.171	C	C	.	.			trans	-131.9	38.4	175.1	-159.2	23.5	0	0	0	113.1	H478 K482 N485 L502	H478-D480 PolarHBondContact CE1-O 3.37Å; H478-D480 VanDerWaalsContact ND1-C 3.3Å; H478-D480 PolarHBondContact ND1-N 3.46Å; H478-D480 PolarHBondContact O-N 2.66Å; D480-K482 PolarHBondContact O-N 3.48Å; D480-K482 VanDerWaalsContact OD1-CE 3.3Å; D480-K482 WeakPolarHBondContact OD1-CE 3.49Å; D480-K482 IonicContact OD1-NZ 3.86Å; D480-K482 PolarHBondContact OD1-NZ 2.89Å; D480-K482 VanDerWaalsContact OD2-CE 3.31Å; D480-K482 WeakPolarHBondContact OD2-CE 3.25Å; D480-K482 IonicContact OD2-NZ 2.8Å; D480-K482 PolarHBondContact OD2-NZ 3.43Å; D480-N485 PolarHBondContact O-ND2 3.33Å; D480-N485 PolarHBondContact OD2-ND2 3.4Å; D480-N485 VanDerWaalsContact OD2-ND2 3.14Å; D480-L502 HydrophobicContact CB-CD1 4.23Å
481	L	93.6	Very high	91.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.209	C	C	.	.			trans	-69	117.7	178.3	-72.5	175	0	0	0	111	V468 H478 I497 D549 V553	V468-L481 HydrophobicContact CG2-CD1 3.76Å; V468-L481 HydrophobicContact CG2-CD2 4.49Å; H478-L481 HydrophobicContact CB-CD1 4.45Å; H478-L481 HydrophobicContact CB-CD2 4.01Å; H478-L481 HydrophobicContact CB-CG 3.88Å; H478-L481 WeakPolarHBondContact ND1-CD2 3.36Å; H478-L481 PolarHBondContact ND1-N 2.92Å; L481-I497 HydrophobicContact CD2-CD1 4.45Å; L481-I497 HydrophobicContact CD2-CG2 3.9Å; L481-D549 HydrophobicContact CD1-CB 3.67Å; L481-V553 HydrophobicContact CD1-CG2 4Å
482	K	92.9	Very high	90.3	Very high	26 Å²	26	49 Å²	49	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	-161.9	159.7	178.2	62.2	-161.3	169.5	-161.4	0	109.5	D480 R484 N485 I486 T530 Y533	D480-K482 PolarHBondContact O-N 3.48Å; D480-K482 VanDerWaalsContact OD1-CE 3.3Å; D480-K482 WeakPolarHBondContact OD1-CE 3.49Å; D480-K482 IonicContact OD1-NZ 3.86Å; D480-K482 PolarHBondContact OD1-NZ 2.89Å; D480-K482 VanDerWaalsContact OD2-CE 3.31Å; D480-K482 WeakPolarHBondContact OD2-CE 3.25Å; D480-K482 IonicContact OD2-NZ 2.8Å; D480-K482 PolarHBondContact OD2-NZ 3.43Å; K482-R484 HydrophobicContact CG-CB 4.3Å; K482-R484 PolarHBondContact O-N 3.25Å; K482-N485 VanDerWaalsContact CE-CG 3.42Å; K482-N485 WeakPolarHBondContact CE-OD1 3.33Å; K482-N485 HydrophobicContact CG-CB 4.27Å; K482-N485 PolarHBondContact O-N 3.22Å; K482-I486 PolarHBondContact O-N 2.92Å; K482-T530 HydrophobicContact CD-CG2 4.31Å; K482-Y533 HydrophobicContact CB-CD1 4.27Å; K482-Y533 HydrophobicContact CB-CD2 3.62Å; K482-Y533 HydrophobicContact CB-CE1 4.29Å; K482-Y533 HydrophobicContact CB-CE2 3.63Å; K482-Y533 HydrophobicContact CB-CG 3.94Å
483	P	94.8	Very high	89.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14	-177.1	-24.8	35.5	0	0	0	115.8	L428 K429 I432 Y533 L556 E559	L428-P483 CarbonylContact C-O 3.49Å; L428-P483 HydrophobicContact CB-CB 4.04Å; L428-P483 WeakPolarHBondContact CB-O 3.44Å; L428-P483 HydrophobicContact CD2-CB 4.23Å; L428-P483 HydrophobicContact CG-CB 4.14Å; L428-P483 PolarHBondContact N-O 3.35Å; L428-P483 VanDerWaalsContact N-O 3.15Å; K429-P483 HydrophobicContact CB-CB 3.88Å; K429-P483 PolarHBondContact N-O 2.87Å; I432-P483 HydrophobicContact CD1-CB 4.19Å; I432-P483 HydrophobicContact CD1-CG 4.14Å; P483-Y533 VanDerWaalsContact CD-CZ 3.45Å; P483-Y533 WeakPolarHBondContact CD-OH 3.43Å; P483-Y533 HydrophobicContact CG-CE1 4.43Å; P483-L556 HydrophobicContact CG-CD1 3.92Å; P483-L556 HydrophobicContact CG-CG 4.19Å; P483-E559 WeakPolarHBondContact CG-OE2 3.44Å
484	R	91.6	Very high	89.5	Confident	147 Å²	147	46.6 Å²	46.6	56%	0.555	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.9	172.1	-65.9	-174.4	178.9	-84	8.3	113.9	K429 K482 F487	K429-R484 HydrophobicContact CB-CG 4.09Å; K429-R484 HydrophobicContact CD-CG 3.97Å; K429-R484 HydrophobicContact CG-CG 4.42Å; K482-R484 HydrophobicContact CG-CB 4.3Å; K482-R484 PolarHBondContact O-N 3.25Å; R484-F487 WeakPolarHBondContact O-CZ 3.49Å
485	N	93.6	Very high	89.8	Confident	8 Å²	8	41 Å²	41	4%	0.043	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	2.2	-176.1	-66.1	34.4	0	0	0	111.6	D480 K482 G498 D499	D480-N485 PolarHBondContact O-ND2 3.33Å; D480-N485 PolarHBondContact OD2-ND2 3.4Å; D480-N485 VanDerWaalsContact OD2-ND2 3.14Å; K482-N485 VanDerWaalsContact CE-CG 3.42Å; K482-N485 WeakPolarHBondContact CE-OD1 3.33Å; K482-N485 HydrophobicContact CG-CB 4.27Å; K482-N485 PolarHBondContact O-N 3.22Å; N485-G498 PolarHBondContact O-N 2.57Å; N485-G498 VanDerWaalsContact O-O 3.09Å; N485-D499 HydrophobicContact CB-CB 4.48Å
486	I	96.1	Very high	90.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.2	170.4	-55.6	-173.2	0	0	0	106.7	S427 L428 I464 K482 V495 I497 L556	S427-I486 CarbonylContact C-O 3.53Å; S427-I486 WeakPolarHBondContact CA-O 3.44Å; L428-I486 HydrophobicContact CB-CB 4.16Å; L428-I486 HydrophobicContact CB-CG2 4.3Å; L428-I486 WeakPolarHBondContact CB-O 3.45Å; L428-I486 HydrophobicContact CD2-CB 4.26Å; L428-I486 HydrophobicContact CD2-CG2 4.2Å; L428-I486 PolarHBondContact N-O 3.42Å; I464-I486 HydrophobicContact CD1-CD1 3.88Å; I464-I486 HydrophobicContact CD1-CG2 4.35Å; I464-I486 HydrophobicContact CG1-CD1 3.96Å; I464-I486 HydrophobicContact CG1-CG2 4.15Å; I464-I486 HydrophobicContact CG2-CD1 3.85Å; K482-I486 PolarHBondContact O-N 2.92Å; I486-V495 HydrophobicContact CG2-CG1 3.73Å; I486-I497 HydrophobicContact CG1-CG1 4.38Å; I486-L556 HydrophobicContact CD1-CD1 3.66Å
487	F	95.5	Very high	90.4	Very high	56 Å²	56	41.2 Å²	41.2	25%	0.246	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.6	-175.1	-54.7	-86.7	0	0	0	110.7	V251 C424 R484 V495 R496	V251-F487 HydrophobicContact CG2-CD2 3.91Å; C424-F487 HydrophobicContact CB-CB 3.55Å; C424-F487 HydrophobicContact CB-CG 4.28Å; R484-F487 WeakPolarHBondContact O-CZ 3.49Å; F487-V495 CarbonylContact O-C 3.6Å; F487-V495 WeakPolarHBondContact O-CA 3.49Å; F487-R496 HydrophobicContact CB-CB 4.39Å; F487-R496 PolarHBondContact N-O 3.45Å; F487-R496 PolarHBondContact O-N 3.08Å
488	L	93.9	Very high	90.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	176.3	-55.3	179.1	0	0	0	109.2	E425 R426 L428 W431 L460 C493 V495	E425-L488 PolarHBondContact N-O 2.95Å; R426-L488 HydrophobicContact CG-CB 4.23Å; R426-L488 PolarHBondContact O-N 2.87Å; L428-L488 HydrophobicContact CD1-CD1 4.32Å; L428-L488 HydrophobicContact CD1-CD2 4.29Å; W431-L488 HydrophobicContact CB-CD1 3.59Å; W431-L488 HydrophobicContact CD2-CD1 4.4Å; W431-L488 HydrophobicContact CG-CD1 3.59Å; L460-L488 HydrophobicContact CD2-CD2 3.7Å; L488-C493 HydrophobicContact CB-CB 4.31Å; L488-C493 HydrophobicContact CD1-CB 4.23Å; L488-C493 HydrophobicContact CD2-CB 4.44Å; L488-V495 HydrophobicContact CD2-CG2 4.1Å
489	H	88.5	Confident	90.2	Very high	57 Å²	57	43 Å²	43	26%	0.264	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.9	-177.9	-176.2	52.2	0	0	0	111.8	Q422 E425 C493 H494 R496	Q422-H489 PolarHBondContact NE2-CD2 3.45Å; Q422-H489 PolarHBondContact NE2-NE2 3.46Å; E425-H489 IonicContact OE1-ND1 3.62Å; E425-H489 PolarHBondContact OE1-ND1 3.15Å; E425-H489 WeakPolarHBondContact OE2-CA 3.27Å; E425-H489 IonicContact OE2-CE1 3.7Å; E425-H489 IonicContact OE2-CG 3.26Å; E425-H489 IonicContact OE2-ND1 2.75Å; E425-H489 PolarHBondContact OE2-ND1 3.47Å; H489-C493 PolarHBondContact O-N 2.64Å; H489-H494 PolarHBondContact N-O 3.42Å; H489-H494 PolarHBondContact O-CD2 2.94Å; H489-H494 VanDerWaalsContact O-CD2 3.32Å; H489-H494 PolarHBondContact O-N 2.95Å; H489-R496 HydrophobicContact CB-CG 4.34Å
490	G	84.3	Confident	89.8	Confident	29 Å²	29	42 Å²	42	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	174.8	-178.5	0	0	0	0	0	114.3	E425 E492 C493	E425-G490 WeakPolarHBondContact OE1-CA 3.4Å; E425-G490 PolarHBondContact OE1-N 3.03Å; G490-E492 VanDerWaalsContact C-N 3.29Å; G490-E492 PolarHBondContact O-N 2.83Å; G490-C493 PolarHBondContact O-N 3.09Å; G490-C493 VanDerWaalsContact O-N 3.16Å
491	H	76.7	Confident	88.8	Confident	197 Å²	197	41.3 Å²	41.3	91%	0.912	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.8	176.3	-70.1	-81.7	0	0	0	112.2	C493	H491-C493 PolarHBondContact O-N 3.06Å; H491-C493 PolarHBondContact O-SG 3.33Å; H491-C493 VanDerWaalsContact O-SG 3.41Å
492	E	77.4	Confident	87.5	Confident	155 Å²	155	44.9 Å²	44.9	72%	0.724	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.9	176.6	-64.8	178.4	-151	0	0	113.8	G490 H494	G490-E492 VanDerWaalsContact C-N 3.29Å; G490-E492 PolarHBondContact O-N 2.83Å; E492-H494 VanDerWaalsContact C-N 3.35Å; E492-H494 PolarHBondContact O-N 2.95Å; E492-H494 IonicContact OE2-CE1 3.78Å; E492-H494 PolarHBondContact OE2-CE1 3.4Å; E492-H494 IonicContact OE2-NE2 2.86Å
493	C	84.2	Confident	86.5	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.054	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	43.9	176.1	-59.8	0	0	0	0	113.3	R426 L460 L488 H489 G490 H491 V495	R426-C493 PolarHBondContact NH2-SG 3.32Å; L460-C493 HydrophobicContact CD2-CB 4.42Å; L488-C493 HydrophobicContact CB-CB 4.31Å; L488-C493 HydrophobicContact CD1-CB 4.23Å; L488-C493 HydrophobicContact CD2-CB 4.44Å; H489-C493 PolarHBondContact O-N 2.64Å; G490-C493 PolarHBondContact O-N 3.09Å; G490-C493 VanDerWaalsContact O-N 3.16Å; H491-C493 PolarHBondContact O-N 3.06Å; H491-C493 PolarHBondContact O-SG 3.33Å; H491-C493 VanDerWaalsContact O-SG 3.41Å; C493-V495 PolarHBondContact O-N 2.76Å; C493-V495 VanDerWaalsContact O-N 3.11Å
494	H	89.6	Confident	85.3	Confident	71 Å²	71	44.6 Å²	44.6	33%	0.329	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	119.3	177.2	-51.9	-66.9	0	0	0	110.1	H489 E492	H489-H494 PolarHBondContact N-O 3.42Å; H489-H494 PolarHBondContact O-CD2 2.94Å; H489-H494 VanDerWaalsContact O-CD2 3.32Å; H489-H494 PolarHBondContact O-N 2.95Å; E492-H494 VanDerWaalsContact C-N 3.35Å; E492-H494 PolarHBondContact O-N 2.95Å; E492-H494 IonicContact OE2-CE1 3.78Å; E492-H494 PolarHBondContact OE2-CE1 3.4Å; E492-H494 IonicContact OE2-NE2 2.86Å
495	V	96.2	Very high	83.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.4	178.9	171.5	0	0	0	0	110.5	N249 L460 N463 I464 I486 F487 L488 C493	N249-V495 VanDerWaalsContact CA-O 3.26Å; N249-V495 WeakPolarHBondContact CA-O 3.45Å; N249-V495 PolarHBondContact ND2-O 3.29Å; L460-V495 HydrophobicContact CD2-CG2 3.64Å; N463-V495 HydrophobicContact CB-CB 3.81Å; N463-V495 HydrophobicContact CB-CG2 3.71Å; I464-V495 HydrophobicContact CB-CG1 4.47Å; I464-V495 HydrophobicContact CG1-CG1 3.61Å; I464-V495 HydrophobicContact CG1-CG2 4.23Å; I486-V495 HydrophobicContact CG2-CG1 3.73Å; F487-V495 CarbonylContact O-C 3.6Å; F487-V495 WeakPolarHBondContact O-CA 3.49Å; L488-V495 HydrophobicContact CD2-CG2 4.1Å; C493-V495 PolarHBondContact O-N 2.76Å; C493-V495 VanDerWaalsContact O-N 3.11Å
496	R	95.8	Very high	81.9	Confident	39 Å²	39	47 Å²	47	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	110.7	174.5	-64.6	-73.4	179.7	162.2	-1.8	110	V248 N249 I250 V251 Q422 F487 H489	V248-R496 WeakPolarHBondContact O-CD 3.32Å; V248-R496 PolarHBondContact O-NE 2.93Å; V248-R496 PolarHBondContact O-NH1 2.72Å; N249-R496 CarbonylContact O-C 3.52Å; N249-R496 WeakPolarHBondContact O-CA 3.38Å; I250-R496 WeakPolarHBondContact O-CD 3.28Å; I250-R496 PolarHBondContact O-NH1 3.21Å; V251-R496 HydrophobicContact CG2-CB 3.71Å; Q422-R496 VanDerWaalsContact OE1-CZ 3.31Å; F487-R496 HydrophobicContact CB-CB 4.39Å; F487-R496 PolarHBondContact N-O 3.45Å; F487-R496 PolarHBondContact O-N 3.08Å; H489-R496 HydrophobicContact CB-CG 4.34Å
497	I	96.1	Very high	79.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136	173.5	-56.4	173.7	0	0	0	109.4	N249 I250 V251 V468 L481 I486 F500	N249-I497 PolarHBondContact O-N 3.06Å; I250-I497 HydrophobicContact CD1-CB 4.06Å; I250-I497 HydrophobicContact CD1-CD1 4.44Å; V251-I497 WeakPolarHBondContact CG2-O 3.32Å; V251-I497 PolarHBondContact N-O 3.45Å; V468-I497 HydrophobicContact CG2-CD1 3.96Å; L481-I497 HydrophobicContact CD2-CD1 4.45Å; L481-I497 HydrophobicContact CD2-CG2 3.9Å; I486-I497 HydrophobicContact CG1-CG1 4.38Å; I497-F500 HydrophobicContact CG2-CE2 4.39Å; I497-F500 HydrophobicContact CG2-CZ 4.3Å
498	G	90.7	Very high	76.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.			trans	-153.1	-176.3	-177.9	0	0	0	0	0	114	H478 N485	H478-G498 PolarHBondContact NE2-O 3.49Å; H478-G498 VanDerWaalsContact NE2-O 3.11Å; N485-G498 PolarHBondContact O-N 2.57Å; N485-G498 VanDerWaalsContact O-O 3.09Å
499	D	84.8	Confident	73.8	Confident	44 Å²	44	60.6 Å²	60.6	24%	0.235	31%	0.312	C	S	.	.			trans	61.4	58.6	-172.7	-161.4	23.6	0	0	0	114.3	K220 N485 G501	K220-D499 IonicContact NZ-OD1 2.66Å; K220-D499 PolarHBondContact NZ-OD1 3.24Å; N485-D499 HydrophobicContact CB-CB 4.48Å; D499-G501 PolarHBondContact O-N 3.46Å
500	F	80.6	Confident	71.1	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.009	32%	0.324	C	S	.	.			trans	-71.1	22.9	178.7	-75.3	-101.9	0	0	0	114.3	E238 V241 L242 L245 I250 I471 I476 H478 I497 L502 A503	E238-F500 HydrophobicContact CG-CB 4.46Å; V241-F500 HydrophobicContact CG1-CB 4.12Å; V241-F500 HydrophobicContact CG1-CD1 3.65Å; V241-F500 HydrophobicContact CG1-CE1 4.43Å; V241-F500 HydrophobicContact CG1-CG 4.13Å; L242-F500 HydrophobicContact CD2-CB 4.24Å; L242-F500 HydrophobicContact CD2-CD2 3.5Å; L242-F500 VanDerWaalsContact CD2-CD2 3.5Å; L242-F500 HydrophobicContact CD2-CE2 4.14Å; L242-F500 HydrophobicContact CD2-CG 4.07Å; L242-F500 HydrophobicContact CG-CB 4.34Å; L242-F500 HydrophobicContact CG-CD2 4.47Å; L245-F500 HydrophobicContact CD1-CD1 3.95Å; L245-F500 HydrophobicContact CD1-CE1 3.46Å; L245-F500 VanDerWaalsContact CD1-CE1 3.46Å; L245-F500 HydrophobicContact CD1-CE2 4.25Å; L245-F500 HydrophobicContact CD1-CZ 3.64Å; I250-F500 HydrophobicContact CD1-CZ 4.26Å; I250-F500 HydrophobicContact CG2-CE2 3.97Å; I250-F500 HydrophobicContact CG2-CZ 4.08Å; I471-F500 HydrophobicContact CD1-CE1 4.36Å; I471-F500 HydrophobicContact CG2-CE1 3.92Å; I471-F500 HydrophobicContact CG2-CZ 4.03Å; I476-F500 HydrophobicContact CG2-CD1 4.29Å; I476-F500 HydrophobicContact CG2-CE1 4.21Å; H478-F500 AromaticContact CD2-CD1 3.89Å; H478-F500 AromaticContact CD2-CE1 3.73Å; H478-F500 AromaticContact CD2-CZ 3.87Å; I497-F500 HydrophobicContact CG2-CE2 4.39Å; I497-F500 HydrophobicContact CG2-CZ 4.3Å; F500-L502 PolarHBondContact O-N 3.06Å; F500-A503 HydrophobicContact CB-CB 3.93Å; F500-A503 HydrophobicContact CD1-CB 3.73Å; F500-A503 HydrophobicContact CG-CB 4.32Å; F500-A503 VanDerWaalsContact O-CB 3.28Å; F500-A503 WeakPolarHBondContact O-CB 3.33Å; F500-A503 PolarHBondContact O-N 3.44Å
501	G	68.5	Low	68.7	Low	21 Å²	21	67.2 Å²	67.2	22%	0.216	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.3	-173.6	0	0	0	0	0	115.6	D499	D499-G501 PolarHBondContact O-N 3.46Å
502	L	65.8	Low	66.8	Low	77 Å²	77	65.1 Å²	65.1	40%	0.403	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	4.4	174.8	-64.7	-176.4	0	0	0	114	Y202 R479 D480 F500	Y202-L502 VanDerWaalsContact OH-CD2 3.32Å; Y202-L502 WeakPolarHBondContact OH-CD2 3.44Å; R479-L502 HydrophobicContact CB-CB 4.34Å; R479-L502 VanDerWaalsContact CD-O 3.3Å; R479-L502 WeakPolarHBondContact CD-O 3.34Å; D480-L502 HydrophobicContact CB-CD1 4.23Å; F500-L502 PolarHBondContact O-N 3.06Å
503	A	72.1	Confident	65	Low	2 Å²	2	64.6 Å²	64.6	2%	0.017	33%	0.328	C	S	.	.			trans	-72.7	154.2	-170.5	0	0	0	0	0	114.1	R237 V241 I476 M477 F500	R237-A503 VanDerWaalsContact CD-O 3.22Å; R237-A503 WeakPolarHBondContact CD-O 3.31Å; V241-A503 HydrophobicContact CG1-CB 4.1Å; V241-A503 HydrophobicContact CG2-CB 4.49Å; I476-A503 HydrophobicContact CG2-CB 4.22Å; M477-A503 WeakPolarHBondContact O-CA 3.27Å; M477-A503 VanDerWaalsContact O-CB 3.31Å; M477-A503 WeakPolarHBondContact O-CB 3.33Å; F500-A503 HydrophobicContact CB-CB 3.93Å; F500-A503 HydrophobicContact CD1-CB 3.73Å; F500-A503 HydrophobicContact CG-CB 4.32Å; F500-A503 VanDerWaalsContact O-CB 3.28Å; F500-A503 WeakPolarHBondContact O-CB 3.33Å; F500-A503 PolarHBondContact O-N 3.44Å
504	C	70.5	Confident	62.7	Low	19 Å²	19	71.3 Å²	71.3	13%	0.128	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-156.9	150.8	-175.2	-166.2	0	0	0	0	111.9	R237 I476 M477	R237-C504 PolarHBondContact NH1-SG 3.3Å; I476-C504 WeakPolarHBondContact CA-O 3.5Å; M477-C504 PolarHBondContact N-O 3.23Å; M477-C504 PolarHBondContact O-N 3.04Å
505	R	58	Low	59.7	Low	94 Å²	94	73.5 Å²	73.5	36%	0.355	37%	0.371	S	S	.	.	S	Bend	trans	-89.7	-21.2	-175.3	-93.8	-178.2	157.1	93.8	1.6	116.1	S244 G475 I476	S244-R505 PolarHBondContact OG-NH1 3.21Å; S244-R505 PolarHBondContact OG-NH2 3.3Å; G475-R505 CarbonylContact C-O 3.48Å; G475-R505 CarbonylContact O-C 3.6Å; G475-R505 VanDerWaalsContact O-C 3.28Å; G475-R505 WeakPolarHBondContact O-CA 3.25Å; I476-R505 HydrophobicContact CD1-CG 4.4Å; I476-R505 HydrophobicContact CG1-CG 3.65Å
506	D	54.1	Low	56.8	Low	113 Å²	113	81 Å²	81	60%	0.604	41%	0.409	S	S	*	.			trans	-134.7	157.2	-165.8	-59	-77.8	0	0	0	114.4	M477	M477-D506 WeakPolarHBondContact CE-O 3.28Å
507	M	41.2	Very low	53.4	Low	114 Å²	114	83.1 Å²	83.1	56%	0.562	43%	0.43	S	S	*	.			trans	-96.9	127.1	171.1	-66.5	179.7	62.4	0	0	110.1	M477 D545	M477-M507 HydrophobicContact CE-CG 4.37Å; M507-D545 HydrophobicContact CE-CB 3.89Å; M507-D545 HydrophobicContact SD-CB 4.02Å
508	I	41.6	Very low	50.3	Low	109 Å²	109	90 Å²	90	56%	0.559	48%	0.475	S	S	*	.			trans	64.5	151.4	179.3	-21.3	-175.1	0	0	0	110.7
509	V	33.9	Very low	47.3	Very low	122 Å²	122	93.4 Å²	93.4	74%	0.739	51%	0.51	S	S	*	.			cis	-130.1	141.5	0.7	-162.9	0	0	0	0	109.8
510	D	31.5	Very low	44.4	Very low	94 Å²	94	97.4 Å²	97.4	50%	0.503	53%	0.532	S	S	.	.			trans	-161.7	85.3	135.2	-171.9	-9	0	0	0	107.5	H512 K513	D510-H512 PolarHBondContact O-N 3.25Å; D510-H512 VanDerWaalsContact O-N 3.11Å; D510-H512 PolarHBondContact OD1-N 3.49Å; D510-H512 VanDerWaalsContact OD1-N 3.08Å; D510-K513 PolarHBondContact OD1-N 3.15Å
511	D	34.6	Very low	42.2	Very low	131 Å²	131	101.6 Å²	101.6	70%	0.701	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	1.3	-178.8	-163.8	49.9	0	0	0	112.8
512	H	36.5	Very low	40.6	Very low	153 Å²	153	103.9 Å²	103.9	71%	0.708	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	0.3	-175.5	-66.8	-9.7	0	0	0	113.9	D510	D510-H512 PolarHBondContact O-N 3.25Å; D510-H512 VanDerWaalsContact O-N 3.11Å; D510-H512 PolarHBondContact OD1-N 3.49Å; D510-H512 VanDerWaalsContact OD1-N 3.08Å
513	K	38.3	Very low	38.9	Very low	143 Å²	143	106.3 Å²	106.3	62%	0.622	61%	0.606	S	S	*	*	S	Bend	trans	-129.1	30.3	177.3	-68.4	-171.8	174.5	178.2	0	115.8	E230 D510	E230-K513 IonicContact OE1-NZ 2.82Å; D510-K513 PolarHBondContact OD1-N 3.15Å
514	R	36.3	Very low	37.2	Very low	150 Å²	150	114.3 Å²	114.3	57%	0.566	64%	0.643	S	S	*	*			trans	-121.1	34.3	159.4	-76.7	-163.4	177.3	-174.9	2.4	114.2	I516 Y544	R514-I516 PolarHBondContact O-N 2.81Å; R514-Y544 VanDerWaalsContact NH1-CE1 3.31Å; R514-Y544 PolarHBondContact NH2-OH 3.32Å
515	T	26.5	Very low	35.4	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	68%	0.676	S	S	*	*			trans	-62	85.3	152.1	24.1	0	0	0	0	109.8	S517	T515-S517 PolarHBondContact O-N 3.46Å
516	I	35.1	Very low	34	Very low	156 Å²	156	120 Å²	120	80%	0.8	69%	0.692	S	S	*	*			trans	-64.8	90.9	147.8	-59.5	175.7	0	0	0	104.7	R514 P518	R514-I516 PolarHBondContact O-N 2.81Å; I516-P518 WeakPolarHBondContact O-CD 3.45Å
517	S	24.9	Very low	33.2	Very low	85 Å²	85	116.6 Å²	116.6	59%	0.594	68%	0.683	S	S	*	*			trans	-53.9	122.5	172.3	-63.4	0	0	0	0	108	T515 G519	T515-S517 PolarHBondContact O-N 3.46Å; S517-G519 PolarHBondContact O-N 3.48Å
518	P	31.6	Very low	32.9	Very low	143 Å²	143	117.9 Å²	117.9	93%	0.929	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	66.5	-178.2	31.4	-35.3	0	0	0	109.9	I516	I516-P518 WeakPolarHBondContact O-CD 3.45Å
519	G	27.5	Very low	33.1	Very low	72 Å²	72	113.3 Å²	113.3	74%	0.742	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.1	22.9	-162.7	0	0	0	0	0	118	S517	S517-G519 PolarHBondContact O-N 3.48Å
520	D	24.3	Very low	34.2	Very low	129 Å²	129	109.9 Å²	109.9	69%	0.69	66%	0.656	S	S	*	*			trans	-141.7	117.3	155.2	-164.8	-35	0	0	0	110.2	S522	D520-S522 VanDerWaalsContact C-N 3.34Å; D520-S522 PolarHBondContact O-N 3.41Å; D520-S522 WeakPolarHBondContact OD1-CB 3.4Å; D520-S522 PolarHBondContact OD1-N 3.18Å; D520-S522 VanDerWaalsContact OD1-N 3.16Å; D520-S522 PolarHBondContact OD1-OG 3.16Å
521	G	32.7	Very low	36.2	Very low	89 Å²	89	111.3 Å²	111.3	92%	0.918	66%	0.658	S	S	*	*			trans	-90.5	23.5	-172.9	0	0	0	0	0	114.8
522	S	35.8	Very low	38.6	Very low	70 Å²	70	105.8 Å²	105.8	49%	0.49	63%	0.629	S	S	.	*			trans	-107.8	131.1	-169.9	63.3	0	0	0	0	115.1	D520	D520-S522 VanDerWaalsContact C-N 3.34Å; D520-S522 PolarHBondContact O-N 3.41Å; D520-S522 WeakPolarHBondContact OD1-CB 3.4Å; D520-S522 PolarHBondContact OD1-N 3.18Å; D520-S522 VanDerWaalsContact OD1-N 3.16Å; D520-S522 PolarHBondContact OD1-OG 3.16Å
523	T	31	Very low	41.2	Very low	127 Å²	127	99.2 Å²	99.2	78%	0.779	60%	0.598	S	S	*	*	S	Bend	trans	80.1	18.8	164.4	72.1	0	0	0	0	121.5
524	H	35.2	Very low	43.7	Very low	171 Å²	171	93 Å²	93	79%	0.792	57%	0.574	S	S	*	*			trans	-95.2	1.6	160.5	-96.3	-65.5	0	0	0	115.2	S526	H524-S526 PolarHBondContact O-N 3.43Å
525	T	32.1	Very low	46.4	Very low	135 Å²	135	85.9 Å²	85.9	83%	0.828	55%	0.547	S	S	*	.			trans	-83.1	64.8	-176.7	38.9	0	0	0	0	114
526	S	30.5	Very low	49.4	Very low	98 Å²	98	81.3 Å²	81.3	69%	0.685	52%	0.519	S	S	*	.	S	Bend	trans	-142.4	72	169.2	67.8	0	0	0	0	112.8	H524	H524-S526 PolarHBondContact O-N 3.43Å
527	G	35.6	Very low	51.9	Low	41 Å²	41	74.5 Å²	74.5	42%	0.423	48%	0.484	S	S	.	.			trans	134.4	88	171.7	0	0	0	0	0	113.5	G529 T530	G527-G529 PolarHBondContact O-N 2.75Å; G527-T530 PolarHBondContact O-N 3.41Å; G527-T530 PolarHBondContact O-OG1 2.93Å
528	V	35.7	Very low	54.8	Low	140 Å²	140	72.6 Å²	72.6	85%	0.848	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	126.1	160.3	-179.8	0	0	0	0	107.4
529	G	45.1	Very low	57.3	Low	14 Å²	14	70 Å²	70	14%	0.144	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-8.3	-179.1	0	0	0	0	0	117	G527 F531 V532	G527-G529 PolarHBondContact O-N 2.75Å; G529-F531 PolarHBondContact O-N 2.89Å; G529-V532 WeakPolarHBondContact O-CG2 3.15Å; G529-V532 PolarHBondContact O-N 2.92Å
530	T	57.3	Low	59.8	Low	50 Å²	50	74.7 Å²	74.7	31%	0.307	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-62.6	-31.8	177.7	-56.1	0	0	0	0	112.7	K482 G527 V532	K482-T530 HydrophobicContact CD-CG2 4.31Å; G527-T530 PolarHBondContact O-N 3.41Å; G527-T530 PolarHBondContact O-OG1 2.93Å; T530-V532 VanDerWaalsContact C-N 3.26Å; T530-V532 PolarHBondContact O-N 3.27Å
531	F	74.1	Confident	61.9	Low	124 Å²	124	70.8 Å²	70.8	54%	0.544	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-70.2	-11.6	-177.9	-60.9	-80.6	0	0	0	115	G529 Y533 A534 L539 R578	G529-F531 PolarHBondContact O-N 2.89Å; F531-Y533 VanDerWaalsContact C-N 3.3Å; F531-Y533 PolarHBondContact O-N 3.43Å; F531-A534 PolarHBondContact O-N 3.25Å; F531-A534 VanDerWaalsContact O-N 3.16Å; F531-L539 HydrophobicContact CD1-CD2 3.9Å; F531-R578 PolarHBondContact O-NH1 2.6Å
532	V	85	Confident	63.3	Low	15 Å²	15	69.1 Å²	69.1	9%	0.091	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-66.4	-29.9	-174	-55.6	0	0	0	0	113.2	G529 T530 V555 L574 R578	G529-V532 WeakPolarHBondContact O-CG2 3.15Å; G529-V532 PolarHBondContact O-N 2.92Å; T530-V532 VanDerWaalsContact C-N 3.26Å; T530-V532 PolarHBondContact O-N 3.27Å; V532-V555 HydrophobicContact CG2-CG1 4.32Å; V532-L574 HydrophobicContact CB-CB 4.17Å; V532-L574 HydrophobicContact CG1-CB 4.43Å; V532-L574 HydrophobicContact CG2-CB 4.17Å; V532-L574 HydrophobicContact CG2-CD1 3.88Å; V532-R578 PolarHBondContact O-NH1 3.38Å
533	Y	91.9	Very high	64.7	Low	15 Å²	15	71.8 Å²	71.8	6%	0.059	41%	0.412	C	S	.	.	S	Bend	trans	-79.5	-24.4	175.6	-49.5	-83.8	0	0	0	113.1	K482 P483 F531 A535 Y551 S552 V555 E559 R570	K482-Y533 HydrophobicContact CB-CD1 4.27Å; K482-Y533 HydrophobicContact CB-CD2 3.62Å; K482-Y533 HydrophobicContact CB-CE1 4.29Å; K482-Y533 HydrophobicContact CB-CE2 3.63Å; K482-Y533 HydrophobicContact CB-CG 3.94Å; P483-Y533 VanDerWaalsContact CD-CZ 3.45Å; P483-Y533 WeakPolarHBondContact CD-OH 3.43Å; P483-Y533 HydrophobicContact CG-CE1 4.43Å; F531-Y533 VanDerWaalsContact C-N 3.3Å; F531-Y533 PolarHBondContact O-N 3.43Å; Y533-A535 PolarHBondContact O-N 3.49Å; Y533-Y551 VanDerWaalsContact O-CD1 3.27Å; Y533-Y551 WeakPolarHBondContact O-CD1 3.36Å; Y533-S552 PolarHBondContact O-OG 2.94Å; Y533-V555 HydrophobicContact CD1-CB 3.93Å; Y533-V555 HydrophobicContact CD1-CG1 3.58Å; Y533-V555 HydrophobicContact CE1-CG1 3.88Å; Y533-V555 HydrophobicContact CG-CG1 4.33Å; Y533-E559 VanDerWaalsContact CE1-OE2 3.29Å; Y533-E559 WeakPolarHBondContact CE1-OE2 3.37Å; Y533-E559 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E559 VanDerWaalsContact OH-CD 3.29Å; Y533-E559 PolarHBondContact OH-OE1 3.47Å; Y533-E559 PolarHBondContact OH-OE2 3.44Å; Y533-R570 PolarHBondContact OH-NH2 3.5Å
534	A	90.6	Very high	66.5	Low	12 Å²	12	67.2 Å²	67.2	10%	0.099	38%	0.381	C	S	.	.	S	Bend	trans	-68.7	124	-173.3	0	0	0	0	0	110.8	F531 L539 R578	F531-A534 PolarHBondContact O-N 3.25Å; F531-A534 VanDerWaalsContact O-N 3.16Å; A534-L539 HydrophobicContact CB-CD2 3.66Å; A534-L539 HydrophobicContact CB-CG 4.04Å; A534-R578 PolarHBondContact O-NH1 3Å; A534-R578 PolarHBondContact O-NH2 3.5Å
535	A	91.8	Very high	68.6	Low	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.352	C	S	.	.			trans	-61.4	152.7	-177.7	0	0	0	0	0	112.6	Y533 E537 Q538 L539 Y551	Y533-A535 PolarHBondContact O-N 3.49Å; A535-E537 VanDerWaalsContact C-N 3.26Å; A535-E537 VanDerWaalsContact CB-CD 3.47Å; A535-E537 WeakPolarHBondContact CB-OE1 3.4Å; A535-E537 PolarHBondContact O-N 3.39Å; A535-Q538 HydrophobicContact CB-CB 4.43Å; A535-Q538 WeakPolarHBondContact O-CB 3.25Å; A535-Q538 PolarHBondContact O-N 3.29Å; A535-L539 PolarHBondContact O-N 3.45Å; A535-L539 VanDerWaalsContact O-N 3.07Å; A535-Y551 HydrophobicContact CB-CD1 3.87Å; A535-Y551 HydrophobicContact CB-CD2 4.37Å; A535-Y551 HydrophobicContact CB-CG 3.75Å
536	P	90.4	Very high	71.4	Confident	21 Å²	21	56.4 Å²	56.4	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-37.2	-177	-27.8	36.4	0	0	0	114.2	K540 Y551 K603	P536-K540 VanDerWaalsContact O-CG 3.3Å; P536-K540 WeakPolarHBondContact O-CG 3.15Å; P536-K540 PolarHBondContact O-N 2.83Å; P536-Y551 HydrophobicContact CG-CE2 4.07Å; P536-K603 HydrophobicContact CG-CG 4.44Å
537	E	87.4	Confident	74.5	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-69.3	-38.2	175	67.1	-75	176.8	0	0	112.7	A535 L539 K540 G541 S542 S548 P605 R608	A535-E537 VanDerWaalsContact C-N 3.26Å; A535-E537 VanDerWaalsContact CB-CD 3.47Å; A535-E537 WeakPolarHBondContact CB-OE1 3.4Å; A535-E537 PolarHBondContact O-N 3.39Å; E537-L539 VanDerWaalsContact C-N 3.31Å; E537-L539 PolarHBondContact O-N 3.33Å; E537-K540 PolarHBondContact O-N 3Å; E537-G541 PolarHBondContact O-N 3.2Å; E537-S542 WeakPolarHBondContact CB-OG 3.5Å; E537-S542 PolarHBondContact O-N 3.37Å; E537-S542 PolarHBondContact O-OG 3.02Å; E537-S548 WeakPolarHBondContact OE1-CA 3.48Å; E537-S548 WeakPolarHBondContact OE1-CB 3.37Å; E537-S548 PolarHBondContact OE1-OG 2.99Å; E537-P605 HydrophobicContact CG-CG 4.37Å; E537-R608 IonicContact OE1-CZ 2.67Å; E537-R608 IonicContact OE1-NH1 3.84Å; E537-R608 PolarHBondContact OE1-NH1 2.96Å; E537-R608 IonicContact OE1-NH2 2.77Å; E537-R608 IonicContact OE2-CZ 3.85Å; E537-R608 IonicContact OE2-NH1 3.19Å; E537-R608 IonicContact OE2-NH2 2.93Å; E537-R608 PolarHBondContact OE2-NH2 3.15Å
538	Q	84.9	Confident	77.2	Confident	44 Å²	44	51.7 Å²	51.7	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-33.6	176.2	-176.9	165.5	-62.5	0	0	111.9	R479 A535 Y544	R479-Q538 PolarHBondContact O-NE2 2.93Å; A535-Q538 HydrophobicContact CB-CB 4.43Å; A535-Q538 WeakPolarHBondContact O-CB 3.25Å; A535-Q538 PolarHBondContact O-N 3.29Å; Q538-Y544 HydrophobicContact CB-CD2 4.3Å; Q538-Y544 HydrophobicContact CG-CD2 4.25Å; Q538-Y544 HydrophobicContact CG-CE2 4.23Å; Q538-Y544 VanDerWaalsContact OE1-CE2 3.31Å
539	L	83.9	Confident	80.1	Confident	88 Å²	88	45.1 Å²	45.1	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-75.6	-27.3	173.7	-65.9	-172.8	0	0	0	113.8	F531 A534 A535 E537 G541	F531-L539 HydrophobicContact CD1-CD2 3.9Å; A534-L539 HydrophobicContact CB-CD2 3.66Å; A534-L539 HydrophobicContact CB-CG 4.04Å; A535-L539 PolarHBondContact O-N 3.45Å; A535-L539 VanDerWaalsContact O-N 3.07Å; E537-L539 VanDerWaalsContact C-N 3.31Å; E537-L539 PolarHBondContact O-N 3.33Å; L539-G541 VanDerWaalsContact C-N 3.29Å
540	K	80.5	Confident	82.6	Confident	172 Å²	172	44.5 Å²	44.5	75%	0.748	24%	0.236	S	C	*	.	H	α-helix	trans	-79.5	-10.9	175.4	-73.4	172.2	-179.6	-177.5	0	113.3	P536 E537 S542	P536-K540 VanDerWaalsContact O-CG 3.3Å; P536-K540 WeakPolarHBondContact O-CG 3.15Å; P536-K540 PolarHBondContact O-N 2.83Å; E537-K540 PolarHBondContact O-N 3Å; K540-S542 PolarHBondContact O-N 3.38Å
541	G	68.2	Low	84.5	Confident	46 Å²	46	42.1 Å²	42.1	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	3.9	-175.3	0	0	0	0	0	114.7	E537 L539	E537-G541 PolarHBondContact O-N 3.2Å; L539-G541 VanDerWaalsContact C-N 3.29Å
542	S	63.4	Low	85.5	Confident	55 Å²	55	36.3 Å²	36.3	39%	0.385	20%	0.196	S	C	.	.	S	Bend	trans	-69.7	173.2	177.9	54.7	0	0	0	0	112.1	E537 K540 Y544	E537-S542 WeakPolarHBondContact CB-OG 3.5Å; E537-S542 PolarHBondContact O-N 3.37Å; E537-S542 PolarHBondContact O-OG 3.02Å; K540-S542 PolarHBondContact O-N 3.38Å; S542-Y544 WeakPolarHBondContact O-CD1 3.35Å; S542-Y544 PolarHBondContact O-N 2.91Å
543	H	64.4	Low	86.1	Confident	126 Å²	126	35.7 Å²	35.7	58%	0.583	19%	0.193	S	C	*	.			trans	-53.8	138.7	170.3	-60.5	-53.7	0	0	0	111.2
544	Y	68.6	Low	86.4	Confident	31 Å²	31	35 Å²	35	12%	0.122	19%	0.19	C	C	.	.			trans	-152.8	141.1	-168.8	74.6	-70.7	0	0	0	108.8	R479 R514 Q538 S542 S548	R479-Y544 HydrophobicContact CB-CE2 4.26Å; R479-Y544 HydrophobicContact CG-CD2 4.5Å; R479-Y544 HydrophobicContact CG-CE2 3.73Å; R479-Y544 PolarHBondContact NH1-OH 2.68Å; R514-Y544 VanDerWaalsContact NH1-CE1 3.31Å; R514-Y544 PolarHBondContact NH2-OH 3.32Å; Q538-Y544 HydrophobicContact CB-CD2 4.3Å; Q538-Y544 HydrophobicContact CG-CD2 4.25Å; Q538-Y544 HydrophobicContact CG-CE2 4.23Å; Q538-Y544 VanDerWaalsContact OE1-CE2 3.31Å; S542-Y544 WeakPolarHBondContact O-CD1 3.35Å; S542-Y544 PolarHBondContact O-N 2.91Å; Y544-S548 WeakPolarHBondContact CB-OG 3.25Å
545	D	79.7	Confident	86.7	Confident	35 Å²	35	34.4 Å²	34.4	19%	0.187	19%	0.185	C	C	.	.			trans	-133.5	-165.5	-159.7	66.5	-1.3	0	0	0	111.4	M477 M507 K547 S548	M477-D545 VanDerWaalsContact SD-C 3.59Å; M507-D545 HydrophobicContact CE-CB 3.89Å; M507-D545 HydrophobicContact SD-CB 4.02Å; D545-K547 PolarHBondContact O-N 3.02Å; D545-K547 WeakPolarHBondContact OD1-CA 3.32Å; D545-K547 WeakPolarHBondContact OD1-CB 3.41Å; D545-K547 PolarHBondContact OD1-N 3.31Å; D545-K547 WeakPolarHBondContact OD2-CG 3.29Å; D545-S548 PolarHBondContact N-OG 3.33Å; D545-S548 WeakPolarHBondContact O-CB 3.49Å; D545-S548 PolarHBondContact O-N 3.41Å; D545-S548 VanDerWaalsContact O-N 3.1Å; D545-S548 PolarHBondContact O-OG 2.81Å; D545-S548 PolarHBondContact OD1-N 3.32Å
546	S	90.9	Very high	87	Confident	44 Å²	44	34.5 Å²	34.5	31%	0.308	19%	0.186	S	C	.	.	H	α-helix	trans	-60.4	-22.3	173.5	51.3	0	0	0	0	113.5	H472 S548 D549 M550	H472-S546 PolarHBondContact CE1-O 3.41Å; S546-S548 VanDerWaalsContact C-N 3.26Å; S546-S548 PolarHBondContact O-N 3.42Å; S546-D549 WeakPolarHBondContact O-CB 3.41Å; S546-D549 PolarHBondContact O-N 2.86Å; S546-M550 PolarHBondContact O-N 3.15Å
547	K	94.7	Very high	87.3	Confident	39 Å²	39	33.6 Å²	33.6	17%	0.17	18%	0.18	C	C	.	.	H	α-helix	trans	-73.6	-17.6	176.3	-48.4	-63.9	-153.1	74.9	0	112.2	D545 M550 Y551 P605 S606 R608	D545-K547 PolarHBondContact O-N 3.02Å; D545-K547 WeakPolarHBondContact OD1-CA 3.32Å; D545-K547 WeakPolarHBondContact OD1-CB 3.41Å; D545-K547 PolarHBondContact OD1-N 3.31Å; D545-K547 WeakPolarHBondContact OD2-CG 3.29Å; K547-M550 PolarHBondContact O-N 2.77Å; K547-Y551 PolarHBondContact O-N 2.93Å; K547-P605 HydrophobicContact CB-CB 3.91Å; K547-P605 HydrophobicContact CG-CB 4.41Å; K547-P605 WeakPolarHBondContact CG-O 3.43Å; K547-P605 PolarHBondContact NZ-O 2.55Å; K547-S606 PolarHBondContact NZ-O 2.97Å; K547-R608 HydrophobicContact CB-CB 4.41Å; K547-R608 WeakPolarHBondContact CE-O 3.27Å; K547-R608 PolarHBondContact NZ-O 3.26Å; K547-R608 VanDerWaalsContact O-CD 3.24Å; K547-R608 WeakPolarHBondContact O-CD 3.33Å; K547-R608 PolarHBondContact O-NH1 2.92Å
548	S	93.4	Very high	87.7	Confident	1 Å²	1	33 Å²	33	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-70.5	-35.2	171.3	-54.4	0	0	0	0	112.1	E537 Y544 D545 S546 Y551 S552	E537-S548 WeakPolarHBondContact OE1-CA 3.48Å; E537-S548 WeakPolarHBondContact OE1-CB 3.37Å; E537-S548 PolarHBondContact OE1-OG 2.99Å; Y544-S548 WeakPolarHBondContact CB-OG 3.25Å; D545-S548 PolarHBondContact N-OG 3.33Å; D545-S548 WeakPolarHBondContact O-CB 3.49Å; D545-S548 PolarHBondContact O-N 3.41Å; D545-S548 VanDerWaalsContact O-N 3.1Å; D545-S548 PolarHBondContact O-OG 2.81Å; D545-S548 PolarHBondContact OD1-N 3.32Å; S546-S548 VanDerWaalsContact C-N 3.26Å; S546-S548 PolarHBondContact O-N 3.42Å; S548-Y551 PolarHBondContact O-N 2.75Å; S548-S552 PolarHBondContact O-N 2.86Å; S548-S552 PolarHBondContact O-OG 2.86Å
549	D	95.5	Very high	88.3	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-42.5	168.7	-76.7	-29.9	0	0	0	110.5	H472 M477 H478 R479 L481 S546 Y551 S552 V553	H472-D549 IonicContact CD2-OD2 3.74Å; H472-D549 IonicContact CE1-OD2 2.69Å; H472-D549 WeakPolarHBondContact NE2-CB 3.31Å; H472-D549 IonicContact NE2-OD2 2.63Å; H472-D549 PolarHBondContact NE2-OD2 3.15Å; M477-D549 WeakPolarHBondContact CA-OD2 3.19Å; H478-D549 PolarHBondContact N-OD2 2.91Å; R479-D549 WeakPolarHBondContact CA-OD1 3.41Å; R479-D549 PolarHBondContact N-OD1 3.45Å; L481-D549 HydrophobicContact CD1-CB 3.67Å; S546-D549 WeakPolarHBondContact O-CB 3.41Å; S546-D549 PolarHBondContact O-N 2.86Å; D549-Y551 VanDerWaalsContact C-N 3.32Å; D549-Y551 PolarHBondContact O-N 3.23Å; D549-S552 WeakPolarHBondContact O-CA 3.27Å; D549-S552 VanDerWaalsContact O-CB 3.25Å; D549-S552 WeakPolarHBondContact O-CB 3.5Å; D549-S552 PolarHBondContact O-N 2.95Å; D549-V553 WeakPolarHBondContact O-CG2 3.44Å; D549-V553 PolarHBondContact O-N 3.48Å
550	M	97.6	Very high	88.8	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-34.2	177.6	-60.6	-52.5	-59.3	0	0	113.2	L465 V468 S546 K547 S552 V553 G554 L600 P609 A611 L614	L465-M550 HydrophobicContact CD2-CE 3.85Å; V468-M550 HydrophobicContact CG1-SD 3.9Å; S546-M550 PolarHBondContact O-N 3.15Å; K547-M550 PolarHBondContact O-N 2.77Å; M550-S552 VanDerWaalsContact C-N 3.35Å; M550-V553 PolarHBondContact O-N 2.56Å; M550-G554 PolarHBondContact O-N 3.05Å; M550-L600 HydrophobicContact CB-CD2 3.96Å; M550-L600 HydrophobicContact CE-CD2 3.72Å; M550-L600 WeakPolarHBondContact O-CD2 3.47Å; M550-P609 WeakPolarHBondContact CG-O 3.46Å; M550-A611 HydrophobicContact CE-CB 4.22Å; M550-A611 HydrophobicContact SD-CB 4Å; M550-L614 HydrophobicContact CE-CD2 4.32Å
551	Y	96.9	Very high	89.5	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-44.8	169.6	-179.8	-78.4	0	0	0	111.6	Y533 A535 P536 K547 S548 D549 V553 G554 V555 R578 L600 T601	Y533-Y551 VanDerWaalsContact O-CD1 3.27Å; Y533-Y551 WeakPolarHBondContact O-CD1 3.36Å; A535-Y551 HydrophobicContact CB-CD1 3.87Å; A535-Y551 HydrophobicContact CB-CD2 4.37Å; A535-Y551 HydrophobicContact CB-CG 3.75Å; P536-Y551 HydrophobicContact CG-CE2 4.07Å; K547-Y551 PolarHBondContact O-N 2.93Å; S548-Y551 PolarHBondContact O-N 2.75Å; D549-Y551 VanDerWaalsContact C-N 3.32Å; D549-Y551 PolarHBondContact O-N 3.23Å; Y551-V553 VanDerWaalsContact C-N 3.29Å; Y551-V553 PolarHBondContact O-N 3Å; Y551-G554 WeakPolarHBondContact O-CA 3.49Å; Y551-G554 PolarHBondContact O-N 2.93Å; Y551-V555 HydrophobicContact CD1-CG2 4.1Å; Y551-V555 HydrophobicContact CE1-CG2 3.66Å; Y551-V555 PolarHBondContact O-N 3.16Å; Y551-V555 VanDerWaalsContact O-N 3.09Å; Y551-R578 PolarHBondContact OH-NH1 3.14Å; Y551-L600 WeakPolarHBondContact CA-O 3.44Å; Y551-T601 HydrophobicContact CE2-CG2 4.49Å; Y551-T601 WeakPolarHBondContact CE2-O 3.33Å
552	S	96.3	Very high	90.8	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-39.1	177.9	-51.2	0	0	0	0	111.4	Y533 S548 D549 M550 V555 L556	Y533-S552 PolarHBondContact O-OG 2.94Å; S548-S552 PolarHBondContact O-N 2.86Å; S548-S552 PolarHBondContact O-OG 2.86Å; D549-S552 WeakPolarHBondContact O-CA 3.27Å; D549-S552 VanDerWaalsContact O-CB 3.25Å; D549-S552 WeakPolarHBondContact O-CB 3.5Å; D549-S552 PolarHBondContact O-N 2.95Å; M550-S552 VanDerWaalsContact C-N 3.35Å; S552-V555 PolarHBondContact O-N 2.86Å; S552-L556 WeakPolarHBondContact O-CB 3.44Å; S552-L556 PolarHBondContact O-N 2.82Å
553	V	97.9	Very high	92.1	Very high	3 Å²	3	16 Å²	16	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-38	171.6	175.8	0	0	0	0	111.9	L461 L465 V468 L481 D549 M550 Y551 L556 A557	L461-V553 HydrophobicContact CD1-CG1 4.16Å; L465-V553 HydrophobicContact CD2-CG1 4.02Å; V468-V553 HydrophobicContact CG2-CG2 4.16Å; L481-V553 HydrophobicContact CD1-CG2 4Å; D549-V553 WeakPolarHBondContact O-CG2 3.44Å; D549-V553 PolarHBondContact O-N 3.48Å; M550-V553 PolarHBondContact O-N 2.56Å; Y551-V553 VanDerWaalsContact C-N 3.29Å; Y551-V553 PolarHBondContact O-N 3Å; V553-L556 PolarHBondContact O-N 3.41Å; V553-A557 VanDerWaalsContact O-CB 3.28Å; V553-A557 WeakPolarHBondContact O-CB 3.41Å; V553-A557 PolarHBondContact O-N 3.39Å
554	G	97.8	Very high	93.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.5	-43.1	174.5	0	0	0	0	0	113.6	M550 Y551 A557 L558	M550-G554 PolarHBondContact O-N 3.05Å; Y551-G554 WeakPolarHBondContact O-CA 3.49Å; Y551-G554 PolarHBondContact O-N 2.93Å; G554-A557 PolarHBondContact O-N 3.01Å; G554-L558 PolarHBondContact O-N 2.87Å
555	V	97.1	Very high	94.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.9	-43.1	174.8	-179.6	0	0	0	0	111	V532 Y533 Y551 S552 A557 L558 E559 L574 L577 T601	V532-V555 HydrophobicContact CG2-CG1 4.32Å; Y533-V555 HydrophobicContact CD1-CB 3.93Å; Y533-V555 HydrophobicContact CD1-CG1 3.58Å; Y533-V555 HydrophobicContact CE1-CG1 3.88Å; Y533-V555 HydrophobicContact CG-CG1 4.33Å; Y551-V555 HydrophobicContact CD1-CG2 4.1Å; Y551-V555 HydrophobicContact CE1-CG2 3.66Å; Y551-V555 PolarHBondContact O-N 3.16Å; Y551-V555 VanDerWaalsContact O-N 3.09Å; S552-V555 PolarHBondContact O-N 2.86Å; V555-A557 VanDerWaalsContact C-N 3.33Å; V555-A557 PolarHBondContact O-N 2.82Å; V555-L558 PolarHBondContact O-N 2.66Å; V555-E559 PolarHBondContact O-N 2.94Å; V555-L574 HydrophobicContact CG1-CD2 4.09Å; V555-L577 HydrophobicContact CB-CD2 4.32Å; V555-L577 HydrophobicContact CG1-CD2 4.39Å; V555-L577 HydrophobicContact CG2-CD2 4.07Å; V555-T601 HydrophobicContact CG2-CG2 4.04Å
556	L	96.8	Very high	94.6	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-35.7	177.2	-173.3	146.5	0	0	0	112.2	L428 I464 P483 I486 S552 V553 E559 L560	L428-L556 HydrophobicContact CD2-CD1 4.22Å; L428-L556 HydrophobicContact CD2-CD2 4.22Å; I464-L556 HydrophobicContact CD1-CD2 3.64Å; P483-L556 HydrophobicContact CG-CD1 3.92Å; P483-L556 HydrophobicContact CG-CG 4.19Å; I486-L556 HydrophobicContact CD1-CD1 3.66Å; S552-L556 WeakPolarHBondContact O-CB 3.44Å; S552-L556 PolarHBondContact O-N 2.82Å; V553-L556 PolarHBondContact O-N 3.41Å; L556-E559 PolarHBondContact O-N 2.63Å; L556-L560 HydrophobicContact CD2-CD1 3.57Å; L556-L560 HydrophobicContact CD2-CG 3.89Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CG 3.37Å; L556-L560 PolarHBondContact O-N 2.82Å
557	A	97.5	Very high	94.4	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-67.3	-33.6	176.2	0	0	0	0	0	112.7	L461 V553 G554 V555 F561 L593 I597	L461-A557 HydrophobicContact CD1-CB 4.12Å; L461-A557 HydrophobicContact CD2-CB 4.11Å; V553-A557 VanDerWaalsContact O-CB 3.28Å; V553-A557 WeakPolarHBondContact O-CB 3.41Å; V553-A557 PolarHBondContact O-N 3.39Å; G554-A557 PolarHBondContact O-N 3.01Å; V555-A557 VanDerWaalsContact C-N 3.33Å; V555-A557 PolarHBondContact O-N 2.82Å; A557-F561 WeakPolarHBondContact O-CD2 3.48Å; A557-F561 PolarHBondContact O-N 2.75Å; A557-L593 HydrophobicContact CB-CD1 4.4Å; A557-I597 HydrophobicContact CB-CD1 4.25Å; A557-I597 HydrophobicContact CB-CG1 3.99Å
558	L	96.8	Very high	94	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-48	170.1	-176.5	61.5	0	0	0	110.9	G554 V555 L560 F561 H562 T573 L574 L577 I582 F586 I597	G554-L558 PolarHBondContact O-N 2.87Å; V555-L558 PolarHBondContact O-N 2.66Å; L558-L560 VanDerWaalsContact C-N 3.29Å; L558-L560 PolarHBondContact O-N 3.37Å; L558-F561 PolarHBondContact O-N 3.44Å; L558-F561 VanDerWaalsContact O-N 3.11Å; L558-H562 HydrophobicContact CD1-CB 4.2Å; L558-H562 HydrophobicContact CG-CB 4.4Å; L558-H562 WeakPolarHBondContact O-CB 3.32Å; L558-H562 PolarHBondContact O-N 3.16Å; L558-T573 HydrophobicContact CD2-CG2 4.12Å; L558-L574 HydrophobicContact CD2-CD2 4.25Å; L558-L577 HydrophobicContact CB-CD2 4.02Å; L558-L577 HydrophobicContact CD2-CB 4.08Å; L558-L577 HydrophobicContact CD2-CD1 4.3Å; L558-L577 HydrophobicContact CD2-CD2 3.67Å; L558-L577 HydrophobicContact CD2-CG 4.22Å; L558-L577 HydrophobicContact CG-CD2 4.48Å; L558-I582 HydrophobicContact CD1-CG2 4.49Å; L558-F586 HydrophobicContact CD1-CD1 4.07Å; L558-F586 HydrophobicContact CD1-CD2 3.91Å; L558-F586 HydrophobicContact CD1-CE1 3.79Å; L558-F586 HydrophobicContact CD1-CE2 3.59Å; L558-F586 HydrophobicContact CD1-CG 4.13Å; L558-F586 HydrophobicContact CD1-CZ 3.53Å; L558-I597 HydrophobicContact CB-CD1 4.11Å; L558-I597 HydrophobicContact CD1-CD1 4.39Å
559	E	95.5	Very high	93.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-32.9	-178.4	-168.1	178.6	-167	0	0	113.1	I432 P483 Y533 V555 L556 F564 R570 L574	I432-E559 HydrophobicContact CD1-CG 4.15Å; P483-E559 WeakPolarHBondContact CG-OE2 3.44Å; Y533-E559 VanDerWaalsContact CE1-OE2 3.29Å; Y533-E559 WeakPolarHBondContact CE1-OE2 3.37Å; Y533-E559 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E559 VanDerWaalsContact OH-CD 3.29Å; Y533-E559 PolarHBondContact OH-OE1 3.47Å; Y533-E559 PolarHBondContact OH-OE2 3.44Å; V555-E559 PolarHBondContact O-N 2.94Å; L556-E559 PolarHBondContact O-N 2.63Å; E559-F564 HydrophobicContact CG-CE2 4.1Å; E559-R570 IonicContact OE1-CZ 2.72Å; E559-R570 IonicContact OE1-NE 3.81Å; E559-R570 PolarHBondContact OE1-NE 2.84Å; E559-R570 IonicContact OE1-NH2 3.97Å; E559-R570 PolarHBondContact OE1-NH2 2.78Å; E559-R570 IonicContact OE2-NH2 3.08Å; E559-L574 HydrophobicContact CB-CD2 4.33Å
560	L	95.6	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-40.3	171.7	-86.3	-178.8	0	0	0	112.4	L428 W431 I432 R435 T457 L461 I464 L556 L558	L428-L560 HydrophobicContact CD1-CD2 4.04Å; L428-L560 HydrophobicContact CD2-CD2 4.19Å; L428-L560 HydrophobicContact CG-CD2 4.38Å; W431-L560 HydrophobicContact CZ3-CD2 4.17Å; I432-L560 HydrophobicContact CD1-CD2 4.2Å; I432-L560 HydrophobicContact CG1-CD2 4.45Å; R435-L560 PolarHBondContact NH1-O 3.36Å; T457-L560 HydrophobicContact CG2-CB 3.68Å; T457-L560 HydrophobicContact CG2-CD1 4.43Å; T457-L560 HydrophobicContact CG2-CD2 4.13Å; T457-L560 HydrophobicContact CG2-CG 4.3Å; T457-L560 WeakPolarHBondContact CG2-O 3.38Å; L461-L560 HydrophobicContact CB-CD1 4.08Å; L461-L560 HydrophobicContact CD1-CD1 4.19Å; I464-L560 HydrophobicContact CD1-CD1 4.37Å; L556-L560 HydrophobicContact CD2-CD1 3.57Å; L556-L560 HydrophobicContact CD2-CG 3.89Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CG 3.37Å; L556-L560 PolarHBondContact O-N 2.82Å; L558-L560 VanDerWaalsContact C-N 3.29Å; L558-L560 PolarHBondContact O-N 3.37Å
561	F	95.5	Very high	93.3	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-102.5	-4.1	-174	-74.3	-97.7	0	0	0	114.7	V452 A454 T457 L458 L461 A557 L558 F586 W590 L593	V452-F561 HydrophobicContact CG1-CD1 4.2Å; A454-F561 HydrophobicContact CB-CE1 4.44Å; T457-F561 HydrophobicContact CG2-CD1 4.23Å; T457-F561 HydrophobicContact CG2-CD2 3.67Å; T457-F561 HydrophobicContact CG2-CE1 3.96Å; T457-F561 HydrophobicContact CG2-CE2 3.38Å; T457-F561 HydrophobicContact CG2-CG 4.1Å; T457-F561 HydrophobicContact CG2-CZ 3.51Å; L458-F561 HydrophobicContact CB-CZ 4.46Å; L458-F561 HydrophobicContact CD2-CE1 4.49Å; L458-F561 HydrophobicContact CD2-CE2 4.45Å; L458-F561 HydrophobicContact CD2-CZ 3.73Å; L458-F561 HydrophobicContact CG-CE1 4.3Å; L458-F561 HydrophobicContact CG-CZ 3.76Å; L461-F561 HydrophobicContact CD2-CE2 4.4Å; A557-F561 WeakPolarHBondContact O-CD2 3.48Å; A557-F561 PolarHBondContact O-N 2.75Å; L558-F561 PolarHBondContact O-N 3.44Å; L558-F561 VanDerWaalsContact O-N 3.11Å; F561-F586 HydrophobicContact CB-CE2 3.58Å; F561-F586 HydrophobicContact CB-CZ 3.82Å; F561-W590 HydrophobicContact CD1-CD2 4.22Å; F561-W590 AromaticContact CD1-CE2 3.88Å; F561-W590 HydrophobicContact CD1-CZ2 4.27Å; F561-W590 AromaticContact CD1-NE1 3.92Å; F561-L593 HydrophobicContact CB-CD2 3.78Å; F561-L593 HydrophobicContact CD1-CD2 3.86Å; F561-L593 HydrophobicContact CD2-CD2 3.37Å; F561-L593 HydrophobicContact CE1-CD2 4.29Å; F561-L593 HydrophobicContact CE2-CD2 3.84Å; F561-L593 HydrophobicContact CG-CD2 3.38Å; F561-L593 HydrophobicContact CZ-CD2 4.28Å
562	H	93.9	Very high	93	Very high	22 Å²	22	37.8 Å²	37.8	10%	0.102	20%	0.199	C	C	.	.	S	Bend	trans	-116	105	-179	-161.5	116.4	0	0	0	110.6	L558 F564 F586	L558-H562 HydrophobicContact CD1-CB 4.2Å; L558-H562 HydrophobicContact CG-CB 4.4Å; L558-H562 WeakPolarHBondContact O-CB 3.32Å; L558-H562 PolarHBondContact O-N 3.16Å; H562-F564 HydrophobicContact CB-CE2 4.41Å; H562-F564 HydrophobicContact CB-CZ 4.06Å; H562-F564 AromaticContact CD2-CD1 3.76Å; H562-F564 AromaticContact CD2-CE1 3.23Å; H562-F564 WeakPolarHBondContact CD2-CE1 3.37Å; H562-F564 AromaticContact CD2-CZ 3.57Å; H562-F564 AromaticContact CG-CZ 3.99Å; H562-F564 AromaticContact NE2-CE1 3.74Å; H562-F564 VanDerWaalsContact O-CD2 3.32Å; H562-F564 WeakPolarHBondContact O-CD2 3.49Å; H562-F564 WeakPolarHBondContact O-CE2 3.19Å; H562-F586 HydrophobicContact CB-CD2 4.22Å; H562-F586 HydrophobicContact CB-CE2 4.15Å; H562-F586 AromaticContact ND1-CD2 3.79Å
563	P	92.3	Very high	92.8	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.143	21%	0.206	C	C	.	.			trans	-66.3	143.3	172	-25.1	38.6	0	0	0	111.9	P448 C451 V452	P448-P563 WeakPolarHBondContact O-CG 3.14Å; C451-P563 VanDerWaalsContact SG-CG 3.52Å; V452-P563 HydrophobicContact CG2-CG 3.39Å
564	F	89.9	Confident	92.6	Very high	19 Å²	19	38.8 Å²	38.8	8%	0.083	21%	0.205	C	C	.	.			trans	-124.2	130.3	178	-61.3	-69.3	0	0	0	109	N436 E559 H562 E569 R570 T573 L574	N436-F564 PolarHBondContact ND2-N 2.77Å; N436-F564 PolarHBondContact ND2-O 3.11Å; E559-F564 HydrophobicContact CG-CE2 4.1Å; H562-F564 HydrophobicContact CB-CE2 4.41Å; H562-F564 HydrophobicContact CB-CZ 4.06Å; H562-F564 AromaticContact CD2-CD1 3.76Å; H562-F564 AromaticContact CD2-CE1 3.23Å; H562-F564 WeakPolarHBondContact CD2-CE1 3.37Å; H562-F564 AromaticContact CD2-CZ 3.57Å; H562-F564 AromaticContact CG-CZ 3.99Å; H562-F564 AromaticContact NE2-CE1 3.74Å; H562-F564 VanDerWaalsContact O-CD2 3.32Å; H562-F564 WeakPolarHBondContact O-CD2 3.49Å; H562-F564 WeakPolarHBondContact O-CE2 3.19Å; F564-E569 HydrophobicContact CD1-CB 4.19Å; F564-R570 HydrophobicContact CB-CB 4.03Å; F564-R570 HydrophobicContact CD1-CB 3.99Å; F564-R570 HydrophobicContact CD2-CB 3.91Å; F564-R570 HydrophobicContact CD2-CG 3.79Å; F564-R570 HydrophobicContact CE1-CB 4.46Å; F564-R570 HydrophobicContact CE2-CB 4.38Å; F564-R570 HydrophobicContact CE2-CG 4.01Å; F564-R570 HydrophobicContact CG-CB 3.69Å; F564-R570 HydrophobicContact CG-CG 4.12Å; F564-T573 HydrophobicContact CE1-CG2 3.9Å; F564-T573 HydrophobicContact CZ-CG2 4.16Å; F564-L574 HydrophobicContact CZ-CD2 4.45Å; F564-L574 HydrophobicContact CZ-CG 4.5Å
565	G	85.9	Confident	92.3	Very high	72 Å²	72	40 Å²	40	74%	0.742	22%	0.218	S	C	*	.	S	Bend	trans	-81.4	-33.4	173.4	0	0	0	0	0	111.9	E569	G565-E569 WeakPolarHBondContact CA-OE2 3.4Å; G565-E569 PolarHBondContact N-OE2 2.74Å
566	T	88.6	Confident	92.1	Very high	67 Å²	67	42.2 Å²	42.2	41%	0.411	23%	0.23	S	C	.	.	S	Bend	trans	-129.8	154.5	175.4	71	0	0	0	0	113.9	M568 E569 R570	T566-M568 PolarHBondContact O-N 3.07Å; T566-E569 WeakPolarHBondContact CB-OE1 3.41Å; T566-E569 VanDerWaalsContact CG2-OE1 3.26Å; T566-E569 WeakPolarHBondContact CG2-OE1 3.42Å; T566-E569 PolarHBondContact N-OE1 3.21Å; T566-E569 PolarHBondContact N-OE2 3.04Å; T566-E569 PolarHBondContact O-N 3Å; T566-E569 WeakPolarHBondContact OG1-CG 3.5Å; T566-E569 PolarHBondContact OG1-N 3.43Å; T566-E569 PolarHBondContact OG1-OE1 3.37Å; T566-R570 PolarHBondContact O-N 3.32Å; T566-R570 VanDerWaalsContact O-N 3.09Å
567	E	87.1	Confident	92	Very high	93 Å²	93	42.2 Å²	42.2	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-24.6	171.6	-171.9	63.3	-121.2	0	0	111.9	R570 V571	E567-R570 WeakPolarHBondContact OE1-CD 3Å; E567-R570 IonicContact OE1-CZ 2.68Å; E567-R570 IonicContact OE1-NE 3.54Å; E567-R570 IonicContact OE1-NH1 3.78Å; E567-R570 PolarHBondContact OE1-NH1 3.43Å; E567-V571 WeakPolarHBondContact O-CB 3.14Å; E567-V571 WeakPolarHBondContact O-CG2 3.4Å; E567-V571 PolarHBondContact O-N 3.22Å
568	M	87.1	Confident	91.6	Very high	147 Å²	147	44.1 Å²	44.1	72%	0.724	24%	0.236	S	C	*	.	H	α-helix	trans	-71.8	-44.3	175.7	-172	65.1	74.4	0	0	111.9	T566 R570 R572	T566-M568 PolarHBondContact O-N 3.07Å; M568-R570 VanDerWaalsContact C-N 3.31Å; M568-R570 PolarHBondContact O-N 3.38Å; M568-R572 VanDerWaalsContact O-CB 3.32Å; M568-R572 WeakPolarHBondContact O-CB 3.31Å; M568-R572 PolarHBondContact O-N 3.04Å
569	E	90.8	Very high	91.3	Very high	84 Å²	84	49.6 Å²	49.6	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-46.4	170.4	-70.4	139.6	-131.5	0	0	110.8	F564 G565 T566 R572 T573	F564-E569 HydrophobicContact CD1-CB 4.19Å; G565-E569 WeakPolarHBondContact CA-OE2 3.4Å; G565-E569 PolarHBondContact N-OE2 2.74Å; T566-E569 WeakPolarHBondContact CB-OE1 3.41Å; T566-E569 VanDerWaalsContact CG2-OE1 3.26Å; T566-E569 WeakPolarHBondContact CG2-OE1 3.42Å; T566-E569 PolarHBondContact N-OE1 3.21Å; T566-E569 PolarHBondContact N-OE2 3.04Å; T566-E569 PolarHBondContact O-N 3Å; T566-E569 WeakPolarHBondContact OG1-CG 3.5Å; T566-E569 PolarHBondContact OG1-N 3.43Å; T566-E569 PolarHBondContact OG1-OE1 3.37Å; E569-R572 PolarHBondContact O-N 3.38Å; E569-T573 WeakPolarHBondContact O-CB 3.14Å; E569-T573 PolarHBondContact O-N 3.47Å; E569-T573 PolarHBondContact O-OG1 3.07Å
570	R	91.3	Very high	91	Very high	26 Å²	26	52 Å²	52	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-53.5	178.9	-177.9	-179.1	169.9	-73.1	-12.5	112	Y533 E559 F564 T566 E567 M568 R572 T573 L574	Y533-R570 PolarHBondContact OH-NH2 3.5Å; E559-R570 IonicContact OE1-CZ 2.72Å; E559-R570 IonicContact OE1-NE 3.81Å; E559-R570 PolarHBondContact OE1-NE 2.84Å; E559-R570 IonicContact OE1-NH2 3.97Å; E559-R570 PolarHBondContact OE1-NH2 2.78Å; E559-R570 IonicContact OE2-NH2 3.08Å; F564-R570 HydrophobicContact CB-CB 4.03Å; F564-R570 HydrophobicContact CD1-CB 3.99Å; F564-R570 HydrophobicContact CD2-CB 3.91Å; F564-R570 HydrophobicContact CD2-CG 3.79Å; F564-R570 HydrophobicContact CE1-CB 4.46Å; F564-R570 HydrophobicContact CE2-CB 4.38Å; F564-R570 HydrophobicContact CE2-CG 4.01Å; F564-R570 HydrophobicContact CG-CB 3.69Å; F564-R570 HydrophobicContact CG-CG 4.12Å; T566-R570 PolarHBondContact O-N 3.32Å; T566-R570 VanDerWaalsContact O-N 3.09Å; E567-R570 WeakPolarHBondContact OE1-CD 3Å; E567-R570 IonicContact OE1-CZ 2.68Å; E567-R570 IonicContact OE1-NE 3.54Å; E567-R570 IonicContact OE1-NH1 3.78Å; E567-R570 PolarHBondContact OE1-NH1 3.43Å; M568-R570 VanDerWaalsContact C-N 3.31Å; M568-R570 PolarHBondContact O-N 3.38Å; R570-R572 VanDerWaalsContact C-N 3.31Å; R570-R572 PolarHBondContact O-N 2.81Å; R570-T573 PolarHBondContact O-N 3.38Å; R570-L574 HydrophobicContact CG-CD1 3.95Å; R570-L574 WeakPolarHBondContact O-CB 3.4Å; R570-L574 VanDerWaalsContact O-CG 3.26Å; R570-L574 WeakPolarHBondContact O-CG 3.48Å; R570-L574 PolarHBondContact O-N 2.83Å
571	V	88.4	Confident	90.9	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.279	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-37.9	178.6	170.1	0	0	0	0	111.5	E567 G575	E567-V571 WeakPolarHBondContact O-CB 3.14Å; E567-V571 WeakPolarHBondContact O-CG2 3.4Å; E567-V571 PolarHBondContact O-N 3.22Å; V571-G575 PolarHBondContact O-N 2.72Å
572	R	90.9	Very high	90.9	Very high	182 Å²	182	59 Å²	59	69%	0.687	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-55.4	175.8	-179.8	-179.8	173.8	179.5	-0.9	112	M568 E569 R570 L574 G575 D576	M568-R572 VanDerWaalsContact O-CB 3.32Å; M568-R572 WeakPolarHBondContact O-CB 3.31Å; M568-R572 PolarHBondContact O-N 3.04Å; E569-R572 PolarHBondContact O-N 3.38Å; R570-R572 VanDerWaalsContact C-N 3.31Å; R570-R572 PolarHBondContact O-N 2.81Å; R572-L574 PolarHBondContact O-N 2.94Å; R572-G575 CarbonylContact O-C 3.58Å; R572-G575 WeakPolarHBondContact O-CA 3.35Å; R572-G575 PolarHBondContact O-N 3.02Å; R572-D576 IonicContact NE-OD2 2.94Å; R572-D576 PolarHBondContact O-N 3.44Å
573	T	93.1	Very high	90.8	Very high	25 Å²	25	60.8 Å²	60.8	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-41	-175.4	-61.9	0	0	0	0	111.9	L558 F564 E569 R570 G575 D576 L577	L558-T573 HydrophobicContact CD2-CG2 4.12Å; F564-T573 HydrophobicContact CE1-CG2 3.9Å; F564-T573 HydrophobicContact CZ-CG2 4.16Å; E569-T573 WeakPolarHBondContact O-CB 3.14Å; E569-T573 PolarHBondContact O-N 3.47Å; E569-T573 PolarHBondContact O-OG1 3.07Å; R570-T573 PolarHBondContact O-N 3.38Å; T573-G575 PolarHBondContact O-N 3.31Å; T573-D576 PolarHBondContact O-N 3.42Å; T573-L577 PolarHBondContact O-N 2.84Å
574	L	93.2	Very high	90.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-70.1	-21	173.4	-60.5	-179	0	0	0	112.4	V532 V555 L558 E559 F564 R570 R572 R578	V532-L574 HydrophobicContact CB-CB 4.17Å; V532-L574 HydrophobicContact CG1-CB 4.43Å; V532-L574 HydrophobicContact CG2-CB 4.17Å; V532-L574 HydrophobicContact CG2-CD1 3.88Å; V555-L574 HydrophobicContact CG1-CD2 4.09Å; L558-L574 HydrophobicContact CD2-CD2 4.25Å; E559-L574 HydrophobicContact CB-CD2 4.33Å; F564-L574 HydrophobicContact CZ-CD2 4.45Å; F564-L574 HydrophobicContact CZ-CG 4.5Å; R570-L574 HydrophobicContact CG-CD1 3.95Å; R570-L574 WeakPolarHBondContact O-CB 3.4Å; R570-L574 VanDerWaalsContact O-CG 3.26Å; R570-L574 WeakPolarHBondContact O-CG 3.48Å; R570-L574 PolarHBondContact O-N 2.83Å; R572-L574 PolarHBondContact O-N 2.94Å; L574-R578 WeakPolarHBondContact O-CG 3.31Å
575	G	90.6	Very high	90.7	Very high	26 Å²	26	67.7 Å²	67.7	27%	0.268	37%	0.373	S	S	.	.	H	α-helix	trans	-76.3	-48.4	170	0	0	0	0	0	113	V571 R572 T573 L577 R578	V571-G575 PolarHBondContact O-N 2.72Å; R572-G575 CarbonylContact O-C 3.58Å; R572-G575 WeakPolarHBondContact O-CA 3.35Å; R572-G575 PolarHBondContact O-N 3.02Å; T573-G575 PolarHBondContact O-N 3.31Å; G575-L577 PolarHBondContact O-N 3.49Å; G575-R578 VanDerWaalsContact O-CB 3.31Å; G575-R578 WeakPolarHBondContact O-CB 3.34Å; G575-R578 PolarHBondContact O-N 3.29Å
576	D	93.3	Very high	91.1	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-34.5	176.3	-91.2	-48.6	0	0	0	111.6	R572 T573 R578 E579 G580 K581	R572-D576 IonicContact NE-OD2 2.94Å; R572-D576 PolarHBondContact O-N 3.44Å; T573-D576 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact C-N 3.29Å; D576-R578 PolarHBondContact O-N 2.99Å; D576-E579 CarbonylContact O-C 3.59Å; D576-E579 PolarHBondContact O-N 3.06Å; D576-E579 VanDerWaalsContact O-N 3.08Å; D576-G580 PolarHBondContact O-N 2.94Å; D576-K581 CarbonylContact C-O 3.54Å; D576-K581 HydrophobicContact CB-CB 4.2Å; D576-K581 WeakPolarHBondContact O-CB 3.07Å; D576-K581 PolarHBondContact O-N 3.12Å; D576-K581 WeakPolarHBondContact OD1-CD 3.44Å; D576-K581 IonicContact OD1-NZ 3.55Å; D576-K581 PolarHBondContact OD1-NZ 3.28Å
577	L	94.8	Very high	91.3	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-57.2	-36	170.6	174.7	63.6	0	0	0	113.2	V555 L558 T573 G575 E579 G580 K581 I582 I597 T601	V555-L577 HydrophobicContact CB-CD2 4.32Å; V555-L577 HydrophobicContact CG1-CD2 4.39Å; V555-L577 HydrophobicContact CG2-CD2 4.07Å; L558-L577 HydrophobicContact CB-CD2 4.02Å; L558-L577 HydrophobicContact CD2-CB 4.08Å; L558-L577 HydrophobicContact CD2-CD1 4.3Å; L558-L577 HydrophobicContact CD2-CD2 3.67Å; L558-L577 HydrophobicContact CD2-CG 4.22Å; L558-L577 HydrophobicContact CG-CD2 4.48Å; T573-L577 PolarHBondContact O-N 2.84Å; G575-L577 PolarHBondContact O-N 3.49Å; L577-E579 PolarHBondContact O-N 2.73Å; L577-G580 PolarHBondContact O-N 3.1Å; L577-K581 WeakPolarHBondContact CA-O 3.47Å; L577-K581 PolarHBondContact N-O 2.97Å; L577-I582 HydrophobicContact CD1-CD1 4.01Å; L577-I582 HydrophobicContact CD1-CG1 3.92Å; L577-I597 HydrophobicContact CD1-CG2 3.73Å; L577-T601 HydrophobicContact CD1-CG2 4.04Å; L577-T601 HydrophobicContact CD2-CG2 4.03Å; L577-T601 HydrophobicContact CG-CG2 4.08Å
578	R	89.9	Confident	91.4	Very high	43 Å²	43	65.8 Å²	65.8	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-24.9	178.2	-53.6	-175.3	61.5	87.8	2.9	112.4	F531 V532 A534 Y551 L574 G575 D576 G580 K603	F531-R578 PolarHBondContact O-NH1 2.6Å; V532-R578 PolarHBondContact O-NH1 3.38Å; A534-R578 PolarHBondContact O-NH1 3Å; A534-R578 PolarHBondContact O-NH2 3.5Å; Y551-R578 PolarHBondContact OH-NH1 3.14Å; L574-R578 WeakPolarHBondContact O-CG 3.31Å; G575-R578 VanDerWaalsContact O-CB 3.31Å; G575-R578 WeakPolarHBondContact O-CB 3.34Å; G575-R578 PolarHBondContact O-N 3.29Å; D576-R578 VanDerWaalsContact C-N 3.29Å; D576-R578 PolarHBondContact O-N 2.99Å; R578-G580 VanDerWaalsContact C-N 3.33Å; R578-K603 WeakPolarHBondContact O-CE 3.32Å
579	E	90.1	Very high	91.5	Very high	116 Å²	116	64.6 Å²	64.6	54%	0.542	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15.9	173.5	-61	-51.5	123.7	0	0	112.7	D576 L577 K581 K603	D576-E579 CarbonylContact O-C 3.59Å; D576-E579 PolarHBondContact O-N 3.06Å; D576-E579 VanDerWaalsContact O-N 3.08Å; L577-E579 PolarHBondContact O-N 2.73Å; E579-K581 VanDerWaalsContact C-N 3.34Å; E579-K581 PolarHBondContact O-N 3.18Å; E579-K603 IonicContact OE1-NZ 2.64Å; E579-K603 PolarHBondContact OE1-NZ 3.04Å; E579-K603 IonicContact OE2-NZ 2.68Å; E579-K603 PolarHBondContact OE2-NZ 2.92Å
580	G	89.8	Confident	91.7	Very high	53 Å²	53	63.4 Å²	63.4	55%	0.546	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	12.8	173.8	0	0	0	0	0	114.8	D576 L577 R578	D576-G580 PolarHBondContact O-N 2.94Å; L577-G580 PolarHBondContact O-N 3.1Å; R578-G580 VanDerWaalsContact C-N 3.33Å
581	K	93.2	Very high	91.8	Very high	118 Å²	118	66.1 Å²	66.1	51%	0.513	34%	0.343	S	S	.	.			trans	-98.4	132.7	-178.3	-50.9	-179.6	-150	150.8	0	111.1	D576 L577 E579	D576-K581 CarbonylContact C-O 3.54Å; D576-K581 HydrophobicContact CB-CB 4.2Å; D576-K581 WeakPolarHBondContact O-CB 3.07Å; D576-K581 PolarHBondContact O-N 3.12Å; D576-K581 WeakPolarHBondContact OD1-CD 3.44Å; D576-K581 IonicContact OD1-NZ 3.55Å; D576-K581 PolarHBondContact OD1-NZ 3.28Å; L577-K581 WeakPolarHBondContact CA-O 3.47Å; L577-K581 PolarHBondContact N-O 2.97Å; E579-K581 VanDerWaalsContact C-N 3.34Å; E579-K581 PolarHBondContact O-N 3.18Å
582	I	94.2	Very high	92	Very high	30 Å²	30	66.5 Å²	66.5	15%	0.154	35%	0.346	C	S	.	.			trans	-132.2	145.2	173	-60.3	174.6	0	0	0	106.7	L558 L577 F586 T594 I597 V598	L558-I582 HydrophobicContact CD1-CG2 4.49Å; L577-I582 HydrophobicContact CD1-CD1 4.01Å; L577-I582 HydrophobicContact CD1-CG1 3.92Å; I582-F586 HydrophobicContact CG2-CB 4.09Å; I582-F586 HydrophobicContact CG2-CD1 3.65Å; I582-F586 HydrophobicContact CG2-CE1 4.46Å; I582-F586 HydrophobicContact CG2-CG 4.13Å; I582-T594 HydrophobicContact CD1-CG2 4.02Å; I582-T594 HydrophobicContact CG2-CG2 4.49Å; I582-I597 HydrophobicContact CD1-CB 4.38Å; I582-I597 HydrophobicContact CD1-CG2 3.76Å; I582-V598 HydrophobicContact CD1-CG2 3.67Å
583	T	92.3	Very high	92.2	Very high	59 Å²	59	58.1 Å²	58.1	36%	0.362	31%	0.314	S	S	.	.			trans	-71	134.5	-177.3	53.8	0	0	0	0	111.5	S585 F586 C587	T583-S585 PolarHBondContact O-N 2.75Å; T583-S585 VanDerWaalsContact O-N 3.07Å; T583-F586 WeakPolarHBondContact O-CA 3.42Å; T583-F586 WeakPolarHBondContact O-CB 3.29Å; T583-F586 PolarHBondContact O-N 2.66Å; T583-C587 PolarHBondContact O-N 3.09Å; T583-C587 VanDerWaalsContact O-N 3.1Å; T583-C587 PolarHBondContact O-SG 2.75Å; T583-C587 VanDerWaalsContact O-SG 3.41Å
584	D	90.8	Very high	92.4	Very high	121 Å²	121	57.6 Å²	57.6	65%	0.647	31%	0.311	S	S	*	.	H	α-helix	trans	-55.1	-33.3	-176.6	-55.7	-51	0	0	0	113.6	F586 C587 H588	D584-F586 VanDerWaalsContact C-N 3.27Å; D584-F586 PolarHBondContact O-N 2.82Å; D584-C587 WeakPolarHBondContact O-CB 3.48Å; D584-C587 PolarHBondContact O-N 3.24Å; D584-H588 WeakPolarHBondContact O-CB 3.43Å; D584-H588 PolarHBondContact O-N 2.96Å
585	S	90	Very high	92.5	Very high	65 Å²	65	62 Å²	62	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-33.3	173.8	58.4	0	0	0	0	113.6	Y449 T583 R589	Y449-S585 PolarHBondContact OH-OG 2.95Å; T583-S585 PolarHBondContact O-N 2.75Å; T583-S585 VanDerWaalsContact O-N 3.07Å; S585-R589 WeakPolarHBondContact O-CB 3.46Å; S585-R589 PolarHBondContact O-N 2.85Å
586	F	93.5	Very high	92.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-79.6	-43.4	174.5	-174	-81.1	0	0	0	110.3	Y449 L558 F561 H562 I582 T583 D584 H588 R589 W590 L593 T594 I597	Y449-F586 HydrophobicContact CE1-CD2 4.1Å; Y449-F586 PolarHBondContact OH-N 3.16Å; L558-F586 HydrophobicContact CD1-CD1 4.07Å; L558-F586 HydrophobicContact CD1-CD2 3.91Å; L558-F586 HydrophobicContact CD1-CE1 3.79Å; L558-F586 HydrophobicContact CD1-CE2 3.59Å; L558-F586 HydrophobicContact CD1-CG 4.13Å; L558-F586 HydrophobicContact CD1-CZ 3.53Å; F561-F586 HydrophobicContact CB-CE2 3.58Å; F561-F586 HydrophobicContact CB-CZ 3.82Å; H562-F586 HydrophobicContact CB-CD2 4.22Å; H562-F586 HydrophobicContact CB-CE2 4.15Å; H562-F586 AromaticContact ND1-CD2 3.79Å; I582-F586 HydrophobicContact CG2-CB 4.09Å; I582-F586 HydrophobicContact CG2-CD1 3.65Å; I582-F586 HydrophobicContact CG2-CE1 4.46Å; I582-F586 HydrophobicContact CG2-CG 4.13Å; T583-F586 WeakPolarHBondContact O-CA 3.42Å; T583-F586 WeakPolarHBondContact O-CB 3.29Å; T583-F586 PolarHBondContact O-N 2.66Å; D584-F586 VanDerWaalsContact C-N 3.27Å; D584-F586 PolarHBondContact O-N 2.82Å; F586-H588 VanDerWaalsContact C-N 3.31Å; F586-H588 PolarHBondContact O-N 2.8Å; F586-R589 PolarHBondContact O-N 2.91Å; F586-W590 HydrophobicContact CE1-CB 4.21Å; F586-W590 AromaticContact CE2-CD1 3.75Å; F586-W590 HydrophobicContact CZ-CB 4.4Å; F586-W590 AromaticContact CZ-CD1 4Å; F586-W590 PolarHBondContact O-N 3.02Å; F586-L593 HydrophobicContact CE1-CD2 4.38Å; F586-L593 HydrophobicContact CZ-CD2 3.82Å; F586-T594 WeakPolarHBondContact CD1-OG1 3.5Å; F586-T594 WeakPolarHBondContact CE1-OG1 3.26Å; F586-I597 HydrophobicContact CE1-CD1 3.87Å; F586-I597 HydrophobicContact CZ-CD1 3.89Å
587	C	93.1	Very high	93.1	Very high	32 Å²	32	59.8 Å²	59.8	22%	0.216	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-43.1	176.3	-58.1	0	0	0	0	112.2	T583 D584 P591 T594	T583-C587 PolarHBondContact O-N 3.09Å; T583-C587 VanDerWaalsContact O-N 3.1Å; T583-C587 PolarHBondContact O-SG 2.75Å; T583-C587 VanDerWaalsContact O-SG 3.41Å; D584-C587 WeakPolarHBondContact O-CB 3.48Å; D584-C587 PolarHBondContact O-N 3.24Å; C587-P591 VanDerWaalsContact O-CA 3.29Å; C587-P591 WeakPolarHBondContact O-CA 3.31Å; C587-T594 HydrophobicContact CB-CG2 4.33Å
588	H	89.5	Confident	93.2	Very high	161 Å²	161	63.3 Å²	63.3	75%	0.745	33%	0.332	S	S	*	.	H	α-helix	trans	-73.4	-35.6	177.2	-68.7	167	0	0	0	113.5	D584 F586	D584-H588 WeakPolarHBondContact O-CB 3.43Å; D584-H588 PolarHBondContact O-N 2.96Å; F586-H588 VanDerWaalsContact C-N 3.31Å; F586-H588 PolarHBondContact O-N 2.8Å
589	R	89.6	Confident	93.5	Very high	122 Å²	122	65.8 Å²	65.8	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-74.4	-39.6	178.7	-179.4	68	86.5	157.7	10.6	112.1	S447 Y449 D450 S585 F586	S447-R589 PolarHBondContact OG-NH2 2.87Å; Y449-R589 HydrophobicContact CD2-CG 4.47Å; D450-R589 IonicContact OD1-NH2 3.63Å; S585-R589 WeakPolarHBondContact O-CB 3.46Å; S585-R589 PolarHBondContact O-N 2.85Å; F586-R589 PolarHBondContact O-N 2.91Å
590	W	93.7	Very high	93.9	Very high	59 Å²	59	60.4 Å²	60.4	22%	0.223	32%	0.319	C	S	.	.			trans	-129.5	61	-172.8	-56.9	122.9	0	0	0	112.6	A454 F561 F586 V592 L593 T594	A454-W590 HydrophobicContact CB-CH2 3.28Å; A454-W590 HydrophobicContact CB-CZ2 3.88Å; A454-W590 HydrophobicContact CB-CZ3 4.01Å; F561-W590 HydrophobicContact CD1-CD2 4.22Å; F561-W590 AromaticContact CD1-CE2 3.88Å; F561-W590 HydrophobicContact CD1-CZ2 4.27Å; F561-W590 AromaticContact CD1-NE1 3.92Å; F586-W590 HydrophobicContact CE1-CB 4.21Å; F586-W590 AromaticContact CE2-CD1 3.75Å; F586-W590 HydrophobicContact CZ-CB 4.4Å; F586-W590 AromaticContact CZ-CD1 4Å; F586-W590 PolarHBondContact O-N 3.02Å; W590-V592 PolarHBondContact O-N 2.92Å; W590-L593 HydrophobicContact CB-CB 4Å; W590-L593 HydrophobicContact CB-CD2 4.2Å; W590-L593 HydrophobicContact CG-CD2 4.4Å; W590-L593 PolarHBondContact O-N 3.06Å; W590-T594 VanDerWaalsContact O-CB 3.31Å; W590-T594 WeakPolarHBondContact O-CB 3.25Å; W590-T594 PolarHBondContact O-N 2.77Å; W590-T594 PolarHBondContact O-OG1 2.87Å
591	P	93.3	Very high	94.2	Very high	82 Å²	82	58.3 Å²	58.3	53%	0.532	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-41.3	-171.7	23.3	-33.8	0	0	0	113.6	C587 T594 K595	C587-P591 VanDerWaalsContact O-CA 3.29Å; C587-P591 WeakPolarHBondContact O-CA 3.31Å; P591-T594 PolarHBondContact O-N 2.8Å; P591-K595 PolarHBondContact O-N 2.8Å
592	V	93.4	Very high	94.4	Very high	55 Å²	55	53.6 Å²	53.6	33%	0.333	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-50.5	177.1	175.1	0	0	0	0	110.8	W590 T594 K595 Y596 E618 L619	W590-V592 PolarHBondContact O-N 2.92Å; V592-T594 VanDerWaalsContact C-N 3.3Å; V592-T594 PolarHBondContact O-N 3.17Å; V592-K595 WeakPolarHBondContact O-CB 3.5Å; V592-K595 PolarHBondContact O-N 3.35Å; V592-Y596 HydrophobicContact CG1-CD2 4.24Å; V592-Y596 HydrophobicContact CG1-CE2 4.19Å; V592-Y596 VanDerWaalsContact O-CD2 3.26Å; V592-Y596 WeakPolarHBondContact O-CD2 3.22Å; V592-Y596 PolarHBondContact O-N 3.5Å; V592-E618 HydrophobicContact CG1-CG 3.9Å; V592-L619 HydrophobicContact CG1-CB 4.28Å; V592-L619 HydrophobicContact CG1-CD1 4.15Å
593	L	95.6	Very high	94.3	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-42	176.6	-179.9	66.9	0	0	0	111.6	L461 A557 F561 F586 W590 K595 Y596 I597 L619	L461-L593 HydrophobicContact CD2-CD1 4.09Å; A557-L593 HydrophobicContact CB-CD1 4.4Å; F561-L593 HydrophobicContact CB-CD2 3.78Å; F561-L593 HydrophobicContact CD1-CD2 3.86Å; F561-L593 HydrophobicContact CD2-CD2 3.37Å; F561-L593 HydrophobicContact CE1-CD2 4.29Å; F561-L593 HydrophobicContact CE2-CD2 3.84Å; F561-L593 HydrophobicContact CG-CD2 3.38Å; F561-L593 HydrophobicContact CZ-CD2 4.28Å; F586-L593 HydrophobicContact CE1-CD2 4.38Å; F586-L593 HydrophobicContact CZ-CD2 3.82Å; W590-L593 HydrophobicContact CB-CB 4Å; W590-L593 HydrophobicContact CB-CD2 4.2Å; W590-L593 HydrophobicContact CG-CD2 4.4Å; W590-L593 PolarHBondContact O-N 3.06Å; L593-K595 PolarHBondContact O-N 3.11Å; L593-Y596 CarbonylContact O-C 3.57Å; L593-Y596 PolarHBondContact O-N 2.94Å; L593-Y596 VanDerWaalsContact O-N 3.08Å; L593-I597 HydrophobicContact CD1-CD1 4.2Å; L593-I597 HydrophobicContact CD1-CG1 4.3Å; L593-I597 HydrophobicContact CD2-CD1 4.16Å; L593-I597 HydrophobicContact CG-CD1 3.72Å; L593-I597 HydrophobicContact CG-CG1 4.23Å; L593-I597 WeakPolarHBondContact O-CG1 3.45Å; L593-I597 PolarHBondContact O-N 2.86Å; L593-L619 HydrophobicContact CB-CD1 4.01Å; L593-L619 HydrophobicContact CD1-CD1 3.92Å; L593-L619 HydrophobicContact CD1-CD2 4.1Å
594	T	96.4	Very high	94.4	Very high	14 Å²	14	58.1 Å²	58.1	9%	0.086	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-45.6	177.1	-59.1	0	0	0	0	111.5	I582 F586 C587 W590 P591 V592 Y596 I597 V598	I582-T594 HydrophobicContact CD1-CG2 4.02Å; I582-T594 HydrophobicContact CG2-CG2 4.49Å; F586-T594 WeakPolarHBondContact CD1-OG1 3.5Å; F586-T594 WeakPolarHBondContact CE1-OG1 3.26Å; C587-T594 HydrophobicContact CB-CG2 4.33Å; W590-T594 VanDerWaalsContact O-CB 3.31Å; W590-T594 WeakPolarHBondContact O-CB 3.25Å; W590-T594 PolarHBondContact O-N 2.77Å; W590-T594 PolarHBondContact O-OG1 2.87Å; P591-T594 PolarHBondContact O-N 2.8Å; V592-T594 VanDerWaalsContact C-N 3.3Å; V592-T594 PolarHBondContact O-N 3.17Å; T594-Y596 PolarHBondContact O-N 2.97Å; T594-I597 PolarHBondContact O-N 3.09Å; T594-V598 HydrophobicContact CG2-CG2 4.45Å; T594-V598 WeakPolarHBondContact O-CG2 3.31Å; T594-V598 PolarHBondContact O-N 3.32Å
595	K	95.9	Very high	94.5	Very high	92 Å²	92	54 Å²	54	40%	0.4	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-34.5	173.7	162.1	-176.1	169.1	-173.8	0	112.6	P591 V592 L593 K599 E618	P591-K595 PolarHBondContact O-N 2.8Å; V592-K595 WeakPolarHBondContact O-CB 3.5Å; V592-K595 PolarHBondContact O-N 3.35Å; L593-K595 PolarHBondContact O-N 3.11Å; K595-K599 WeakPolarHBondContact O-CG 3.38Å; K595-E618 WeakPolarHBondContact CD-OE1 3.29Å; K595-E618 VanDerWaalsContact CE-OE1 3.31Å; K595-E618 WeakPolarHBondContact CE-OE1 3.35Å; K595-E618 IonicContact NZ-OE1 2.78Å; K595-E618 PolarHBondContact NZ-OE1 3.02Å; K595-E618 IonicContact NZ-OE2 3.18Å; K595-E618 PolarHBondContact NZ-OE2 3.3Å
596	Y	97.5	Very high	94.7	Very high	26 Å²	26	54.6 Å²	54.6	10%	0.102	28%	0.278	C	S	.	.	H	α-helix	trans	-85.9	-37.5	176.2	-73.7	-75.5	0	0	0	113.9	V592 L593 T594 V598 K599 L600 L614 E618 L619	V592-Y596 HydrophobicContact CG1-CD2 4.24Å; V592-Y596 HydrophobicContact CG1-CE2 4.19Å; V592-Y596 VanDerWaalsContact O-CD2 3.26Å; V592-Y596 WeakPolarHBondContact O-CD2 3.22Å; V592-Y596 PolarHBondContact O-N 3.5Å; L593-Y596 CarbonylContact O-C 3.57Å; L593-Y596 PolarHBondContact O-N 2.94Å; L593-Y596 VanDerWaalsContact O-N 3.08Å; T594-Y596 PolarHBondContact O-N 2.97Å; Y596-V598 VanDerWaalsContact C-N 3.35Å; Y596-V598 PolarHBondContact O-N 2.95Å; Y596-K599 HydrophobicContact CD1-CD 4.48Å; Y596-K599 PolarHBondContact O-N 2.8Å; Y596-L600 WeakPolarHBondContact O-CB 3.48Å; Y596-L600 VanDerWaalsContact O-CG 3.24Å; Y596-L600 WeakPolarHBondContact O-CG 3.25Å; Y596-L600 PolarHBondContact O-N 3.38Å; Y596-L614 HydrophobicContact CD1-CD1 3.3Å; Y596-L614 HydrophobicContact CD2-CD1 4.42Å; Y596-L614 HydrophobicContact CE1-CD1 3.96Å; Y596-L614 HydrophobicContact CG-CD1 3.58Å; Y596-E618 HydrophobicContact CE2-CG 3.68Å; Y596-L619 HydrophobicContact CD2-CB 4.15Å; Y596-L619 HydrophobicContact CE2-CB 4.44Å
597	I	97.9	Very high	94.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-49.7	172.8	-71.6	170.6	0	0	0	110	A557 L558 L577 I582 F586 L593 T594 K599 L600 T601	A557-I597 HydrophobicContact CB-CD1 4.25Å; A557-I597 HydrophobicContact CB-CG1 3.99Å; L558-I597 HydrophobicContact CB-CD1 4.11Å; L558-I597 HydrophobicContact CD1-CD1 4.39Å; L577-I597 HydrophobicContact CD1-CG2 3.73Å; I582-I597 HydrophobicContact CD1-CB 4.38Å; I582-I597 HydrophobicContact CD1-CG2 3.76Å; F586-I597 HydrophobicContact CE1-CD1 3.87Å; F586-I597 HydrophobicContact CZ-CD1 3.89Å; L593-I597 HydrophobicContact CD1-CD1 4.2Å; L593-I597 HydrophobicContact CD1-CG1 4.3Å; L593-I597 HydrophobicContact CD2-CD1 4.16Å; L593-I597 HydrophobicContact CG-CD1 3.72Å; L593-I597 HydrophobicContact CG-CG1 4.23Å; L593-I597 WeakPolarHBondContact O-CG1 3.45Å; L593-I597 PolarHBondContact O-N 2.86Å; T594-I597 PolarHBondContact O-N 3.09Å; I597-K599 VanDerWaalsContact C-N 3.29Å; I597-K599 PolarHBondContact O-N 3.45Å; I597-L600 PolarHBondContact O-N 3.03Å; I597-L600 VanDerWaalsContact O-N 3.11Å; I597-T601 HydrophobicContact CG2-CG2 4.41Å; I597-T601 PolarHBondContact O-N 3.48Å; I597-T601 PolarHBondContact O-OG1 2.89Å; I597-T601 VanDerWaalsContact O-OG1 3.09Å
598	V	97.1	Very high	95	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-37	179.1	172.8	0	0	0	0	112.4	I582 T594 Y596 S602	I582-V598 HydrophobicContact CD1-CG2 3.67Å; T594-V598 HydrophobicContact CG2-CG2 4.45Å; T594-V598 WeakPolarHBondContact O-CG2 3.31Å; T594-V598 PolarHBondContact O-N 3.32Å; Y596-V598 VanDerWaalsContact C-N 3.35Å; Y596-V598 PolarHBondContact O-N 2.95Å; V598-S602 PolarHBondContact O-N 3.31Å
599	K	97.1	Very high	95.3	Very high	95 Å²	95	51.4 Å²	51.4	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-68.3	-45.1	173.9	-75.6	-177.7	174.2	-168.4	0	112.2	K595 Y596 I597 S602 R608	K595-K599 WeakPolarHBondContact O-CG 3.38Å; Y596-K599 HydrophobicContact CD1-CD 4.48Å; Y596-K599 PolarHBondContact O-N 2.8Å; I597-K599 VanDerWaalsContact C-N 3.29Å; I597-K599 PolarHBondContact O-N 3.45Å; K599-S602 WeakPolarHBondContact O-CB 3.46Å; K599-S602 PolarHBondContact O-N 2.9Å; K599-R608 WeakPolarHBondContact O-CG 3.29Å
600	L	97.8	Very high	95.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-42.2	-179.9	-69.7	165.2	0	0	0	111.6	M550 Y551 Y596 I597 S602 R608 P609 L614	M550-L600 HydrophobicContact CB-CD2 3.96Å; M550-L600 HydrophobicContact CE-CD2 3.72Å; M550-L600 WeakPolarHBondContact O-CD2 3.47Å; Y551-L600 WeakPolarHBondContact CA-O 3.44Å; Y596-L600 WeakPolarHBondContact O-CB 3.48Å; Y596-L600 VanDerWaalsContact O-CG 3.24Å; Y596-L600 WeakPolarHBondContact O-CG 3.25Å; Y596-L600 PolarHBondContact O-N 3.38Å; I597-L600 PolarHBondContact O-N 3.03Å; I597-L600 VanDerWaalsContact O-N 3.11Å; L600-S602 PolarHBondContact O-N 2.9Å; L600-R608 WeakPolarHBondContact O-CD 3.38Å; L600-R608 WeakPolarHBondContact O-CG 3.23Å; L600-R608 PolarHBondContact O-NE 3.28Å; L600-P609 HydrophobicContact CD2-CG 3.87Å; L600-P609 HydrophobicContact CG-CG 4.38Å; L600-L614 HydrophobicContact CD1-CD2 3.83Å; L600-L614 HydrophobicContact CD2-CD2 4.19Å; L600-L614 HydrophobicContact CG-CD2 4.48Å
601	T	97.2	Very high	95.8	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.049	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	16.2	179.1	65.3	0	0	0	0	113.8	Y551 V555 L577 I597 K603	Y551-T601 HydrophobicContact CE2-CG2 4.49Å; Y551-T601 WeakPolarHBondContact CE2-O 3.33Å; V555-T601 HydrophobicContact CG2-CG2 4.04Å; L577-T601 HydrophobicContact CD1-CG2 4.04Å; L577-T601 HydrophobicContact CD2-CG2 4.03Å; L577-T601 HydrophobicContact CG-CG2 4.08Å; I597-T601 HydrophobicContact CG2-CG2 4.41Å; I597-T601 PolarHBondContact O-N 3.48Å; I597-T601 PolarHBondContact O-OG1 2.89Å; I597-T601 VanDerWaalsContact O-OG1 3.09Å; T601-K603 PolarHBondContact O-N 2.85Å
602	S	96.2	Very high	95.9	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	23%	0.234	C	C	.	.			trans	-54.5	136	172.9	171.4	0	0	0	0	111.6	V598 K599 L600 D604 R608	V598-S602 PolarHBondContact O-N 3.31Å; K599-S602 WeakPolarHBondContact O-CB 3.46Å; K599-S602 PolarHBondContact O-N 2.9Å; L600-S602 PolarHBondContact O-N 2.9Å; S602-D604 WeakPolarHBondContact CB-O 3.46Å; S602-D604 PolarHBondContact O-N 3.42Å; S602-D604 PolarHBondContact OG-N 2.91Å; S602-D604 PolarHBondContact OG-O 3.4Å; S602-R608 PolarHBondContact O-NE 3.44Å; S602-R608 PolarHBondContact O-NH2 2.84Å
603	K	93.1	Very high	96	Very high	114 Å²	114	45.1 Å²	45.1	50%	0.496	24%	0.242	S	C	.	.	S	Bend	trans	-68	-18.6	172.2	-66.2	-174.4	175.9	-172.9	0	112.5	P536 R578 E579 T601	P536-K603 HydrophobicContact CG-CG 4.44Å; R578-K603 WeakPolarHBondContact O-CE 3.32Å; E579-K603 IonicContact OE1-NZ 2.64Å; E579-K603 PolarHBondContact OE1-NZ 3.04Å; E579-K603 IonicContact OE2-NZ 2.68Å; E579-K603 PolarHBondContact OE2-NZ 2.92Å; T601-K603 PolarHBondContact O-N 2.85Å
604	D	93.3	Very high	96.1	Very high	71 Å²	71	44.9 Å²	44.9	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-96.6	118.9	168	178.8	-7.4	0	0	0	110.1	S602 S606 L607	S602-D604 WeakPolarHBondContact CB-O 3.46Å; S602-D604 PolarHBondContact O-N 3.42Å; S602-D604 PolarHBondContact OG-N 2.91Å; S602-D604 PolarHBondContact OG-O 3.4Å; D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 PolarHBondContact O-N 3.4Å; D604-S606 VanDerWaalsContact OD1-CB 3.25Å; D604-S606 WeakPolarHBondContact OD1-CB 3.33Å; D604-S606 PolarHBondContact OD1-N 3.11Å; D604-S606 PolarHBondContact OD1-OG 3.22Å; D604-S606 PolarHBondContact OD2-OG 3.48Å; D604-L607 HydrophobicContact CB-CD1 4.15Å; D604-L607 HydrophobicContact CB-CG 4.2Å
605	P	93.6	Very high	96	Very high	34 Å²	34	45 Å²	45	22%	0.221	24%	0.241	C	C	.	.	S	Bend	trans	-62.8	-25.3	176.3	-21.4	33.2	0	0	0	115.1	E537 K547 L607 R608	E537-P605 HydrophobicContact CG-CG 4.37Å; K547-P605 HydrophobicContact CB-CB 3.91Å; K547-P605 HydrophobicContact CG-CB 4.41Å; K547-P605 WeakPolarHBondContact CG-O 3.43Å; K547-P605 PolarHBondContact NZ-O 2.55Å; P605-L607 VanDerWaalsContact C-N 3.34Å; P605-L607 PolarHBondContact O-N 3.46Å; P605-R608 PolarHBondContact O-N 2.94Å
606	S	93.3	Very high	95.8	Very high	77 Å²	77	47.4 Å²	47.4	54%	0.538	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-41.9	-177.8	76.4	0	0	0	0	111.6	K547 D604 R608	K547-S606 PolarHBondContact NZ-O 2.97Å; D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 PolarHBondContact O-N 3.4Å; D604-S606 VanDerWaalsContact OD1-CB 3.25Å; D604-S606 WeakPolarHBondContact OD1-CB 3.33Å; D604-S606 PolarHBondContact OD1-N 3.11Å; D604-S606 PolarHBondContact OD1-OG 3.22Å; D604-S606 PolarHBondContact OD2-OG 3.48Å; S606-R608 VanDerWaalsContact C-N 3.27Å; S606-R608 PolarHBondContact O-N 3.36Å
607	L	95.8	Very high	95.6	Very high	110 Å²	110	46.6 Å²	46.6	58%	0.576	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.2	-177.4	-56	-178.9	0	0	0	114.4	D604 P605	D604-L607 HydrophobicContact CB-CD1 4.15Å; D604-L607 HydrophobicContact CB-CG 4.2Å; P605-L607 VanDerWaalsContact C-N 3.34Å; P605-L607 PolarHBondContact O-N 3.46Å
608	R	96.9	Very high	95.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.008	27%	0.272	C	S	.	.	S	Bend	trans	-75.4	126.2	178.5	-52.3	-179.3	-167.8	146.8	8.3	109.4	E537 K547 K599 L600 S602 P605 S606	E537-R608 IonicContact OE1-CZ 2.67Å; E537-R608 IonicContact OE1-NH1 3.84Å; E537-R608 PolarHBondContact OE1-NH1 2.96Å; E537-R608 IonicContact OE1-NH2 2.77Å; E537-R608 IonicContact OE2-CZ 3.85Å; E537-R608 IonicContact OE2-NH1 3.19Å; E537-R608 IonicContact OE2-NH2 2.93Å; E537-R608 PolarHBondContact OE2-NH2 3.15Å; K547-R608 HydrophobicContact CB-CB 4.41Å; K547-R608 WeakPolarHBondContact CE-O 3.27Å; K547-R608 PolarHBondContact NZ-O 3.26Å; K547-R608 VanDerWaalsContact O-CD 3.24Å; K547-R608 WeakPolarHBondContact O-CD 3.33Å; K547-R608 PolarHBondContact O-NH1 2.92Å; K599-R608 WeakPolarHBondContact O-CG 3.29Å; L600-R608 WeakPolarHBondContact O-CD 3.38Å; L600-R608 WeakPolarHBondContact O-CG 3.23Å; L600-R608 PolarHBondContact O-NE 3.28Å; S602-R608 PolarHBondContact O-NE 3.44Å; S602-R608 PolarHBondContact O-NH2 2.84Å; P605-R608 PolarHBondContact O-N 2.94Å; S606-R608 VanDerWaalsContact C-N 3.27Å; S606-R608 PolarHBondContact O-N 3.36Å
609	P	96.9	Very high	94.9	Very high	15 Å²	15	48 Å²	48	10%	0.097	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-65.7	153.6	176.1	28.4	-35	0	0	0	110.7	M550 L600 Q613	M550-P609 WeakPolarHBondContact CG-O 3.46Å; L600-P609 HydrophobicContact CD2-CG 3.87Å; L600-P609 HydrophobicContact CG-CG 4.38Å; P609-Q613 HydrophobicContact CB-CB 4.13Å
610	A	96.8	Very high	94.5	Very high	30 Å²	30	44 Å²	44	25%	0.248	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-69.8	165.3	164.8	0	0	0	0	0	111.3	S612 Q613 L614	A610-S612 PolarHBondContact O-N 2.87Å; A610-Q613 HydrophobicContact CB-CB 4.43Å; A610-Q613 HydrophobicContact CB-CG 4.16Å; A610-Q613 PolarHBondContact O-N 3.27Å; A610-L614 PolarHBondContact O-N 3.19Å; A610-L614 VanDerWaalsContact O-N 3.09Å
611	A	97	Very high	93.3	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-47.3	178.8	0	0	0	0	0	112.2	L465 V468 E469 M550 L614 L615	L465-A611 HydrophobicContact CD2-CB 4.13Å; V468-A611 HydrophobicContact CB-CB 4.48Å; V468-A611 HydrophobicContact CG1-CB 4.23Å; E469-A611 HydrophobicContact CB-CB 3.83Å; M550-A611 HydrophobicContact CE-CB 4.22Å; M550-A611 HydrophobicContact SD-CB 4Å; A611-L614 PolarHBondContact O-N 3.37Å; A611-L614 VanDerWaalsContact O-N 3.13Å; A611-L615 WeakPolarHBondContact O-CG 3.45Å; A611-L615 PolarHBondContact O-N 3Å
612	S	95.5	Very high	91.4	Very high	44 Å²	44	54.2 Å²	54.2	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-52	174.4	52.8	0	0	0	0	112.7	E469 A610 L614 L615 E616	E469-S612 VanDerWaalsContact OE1-CA 3.24Å; E469-S612 WeakPolarHBondContact OE1-CA 3.37Å; E469-S612 VanDerWaalsContact OE1-CB 3.22Å; E469-S612 WeakPolarHBondContact OE1-CB 3.36Å; A610-S612 PolarHBondContact O-N 2.87Å; S612-L614 PolarHBondContact O-N 2.61Å; S612-L614 VanDerWaalsContact O-N 3.09Å; S612-L615 WeakPolarHBondContact O-CB 3.32Å; S612-L615 PolarHBondContact O-N 3.31Å; S612-E616 WeakPolarHBondContact O-CB 3.37Å; S612-E616 WeakPolarHBondContact O-CG 3.43Å; S612-E616 PolarHBondContact O-N 3.14Å
613	Q	96	Very high	89.2	Confident	110 Å²	110	61.8 Å²	61.8	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-23.6	177.7	-65.9	177.1	-27.9	0	0	113.8	P609 A610	P609-Q613 HydrophobicContact CB-CB 4.13Å; A610-Q613 HydrophobicContact CB-CB 4.43Å; A610-Q613 HydrophobicContact CB-CG 4.16Å; A610-Q613 PolarHBondContact O-N 3.27Å
614	L	95.9	Very high	87.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-87.2	-36.4	175.1	-174.3	60.9	0	0	0	111.8	L465 M550 Y596 L600 A610 A611 S612 S617 L619 F620	L465-L614 HydrophobicContact CD1-CB 4.49Å; L465-L614 HydrophobicContact CD1-CD2 3.71Å; L465-L614 HydrophobicContact CD1-CG 3.96Å; L465-L614 HydrophobicContact CD2-CD2 3.88Å; L465-L614 HydrophobicContact CG-CD2 4.45Å; M550-L614 HydrophobicContact CE-CD2 4.32Å; Y596-L614 HydrophobicContact CD1-CD1 3.3Å; Y596-L614 HydrophobicContact CD2-CD1 4.42Å; Y596-L614 HydrophobicContact CE1-CD1 3.96Å; Y596-L614 HydrophobicContact CG-CD1 3.58Å; L600-L614 HydrophobicContact CD1-CD2 3.83Å; L600-L614 HydrophobicContact CD2-CD2 4.19Å; L600-L614 HydrophobicContact CG-CD2 4.48Å; A610-L614 PolarHBondContact O-N 3.19Å; A610-L614 VanDerWaalsContact O-N 3.09Å; A611-L614 PolarHBondContact O-N 3.37Å; A611-L614 VanDerWaalsContact O-N 3.13Å; S612-L614 PolarHBondContact O-N 2.61Å; S612-L614 VanDerWaalsContact O-N 3.09Å; L614-S617 VanDerWaalsContact O-CB 3.28Å; L614-S617 WeakPolarHBondContact O-CB 3.08Å; L614-S617 PolarHBondContact O-N 3.33Å; L614-S617 PolarHBondContact O-OG 2.92Å; L614-L619 HydrophobicContact CD1-CD2 3.99Å; L614-L619 HydrophobicContact CG-CD2 4.47Å; L614-F620 HydrophobicContact CG-CE2 4.34Å; L614-F620 WeakPolarHBondContact O-CD2 3.33Å
615	L	94.9	Very high	85.2	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-44.3	171.7	-71.5	162.9	0	0	0	111.4	R462 L465 H466 E469 A611 S612 S617 F620 H621	R462-L615 HydrophobicContact CG-CD2 3.56Å; L465-L615 HydrophobicContact CB-CD1 4.17Å; L465-L615 HydrophobicContact CB-CD2 3.72Å; L465-L615 HydrophobicContact CB-CG 3.91Å; L465-L615 HydrophobicContact CD1-CD2 4.29Å; L465-L615 HydrophobicContact CD1-CG 4.49Å; H466-L615 WeakPolarHBondContact ND1-CD1 3.5Å; E469-L615 HydrophobicContact CB-CD1 4.46Å; E469-L615 VanDerWaalsContact OE2-CD1 3.22Å; E469-L615 WeakPolarHBondContact OE2-CD1 3.16Å; A611-L615 WeakPolarHBondContact O-CG 3.45Å; A611-L615 PolarHBondContact O-N 3Å; S612-L615 WeakPolarHBondContact O-CB 3.32Å; S612-L615 PolarHBondContact O-N 3.31Å; L615-S617 PolarHBondContact O-N 2.58Å; L615-S617 VanDerWaalsContact O-N 3.12Å; L615-F620 HydrophobicContact CD2-CD2 4.5Å; L615-F620 HydrophobicContact CD2-CE2 4.44Å; L615-H621 PolarHBondContact O-CE1 2.87Å; L615-H621 PolarHBondContact O-ND1 2.9Å
616	E	92.7	Very high	83.3	Confident	143 Å²	143	63.6 Å²	63.6	67%	0.668	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-5	174.2	-70.4	175.5	171.4	0	0	114.3	S612 H621	S612-E616 WeakPolarHBondContact O-CB 3.37Å; S612-E616 WeakPolarHBondContact O-CG 3.43Å; S612-E616 PolarHBondContact O-N 3.14Å; E616-H621 PolarHBondContact O-ND1 3.41Å
617	S	92.8	Very high	81.5	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.063	33%	0.333	C	S	.	.	S	Bend	trans	-88.1	164.3	-172.1	81.5	0	0	0	0	114.6	L614 L615 L619 F620 H621	L614-S617 VanDerWaalsContact O-CB 3.28Å; L614-S617 WeakPolarHBondContact O-CB 3.08Å; L614-S617 PolarHBondContact O-N 3.33Å; L614-S617 PolarHBondContact O-OG 2.92Å; L615-S617 PolarHBondContact O-N 2.58Å; L615-S617 VanDerWaalsContact O-N 3.12Å; S617-L619 PolarHBondContact O-N 3.42Å; S617-L619 WeakPolarHBondContact OG-CB 3.37Å; S617-L619 PolarHBondContact OG-N 2.98Å; S617-F620 PolarHBondContact O-N 2.8Å; S617-H621 WeakPolarHBondContact O-CB 3.43Å; S617-H621 PolarHBondContact O-N 3.24Å; S617-H621 PolarHBondContact O-ND1 3.35Å; S617-H621 VanDerWaalsContact O-ND1 3.11Å
618	E	91.9	Very high	79.7	Confident	88 Å²	88	62.1 Å²	62.1	41%	0.411	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-16.2	169.1	60	176.1	-137.6	0	0	114.6	V592 K595 Y596 F620	V592-E618 HydrophobicContact CG1-CG 3.9Å; K595-E618 WeakPolarHBondContact CD-OE1 3.29Å; K595-E618 VanDerWaalsContact CE-OE1 3.31Å; K595-E618 WeakPolarHBondContact CE-OE1 3.35Å; K595-E618 IonicContact NZ-OE1 2.78Å; K595-E618 PolarHBondContact NZ-OE1 3.02Å; K595-E618 IonicContact NZ-OE2 3.18Å; K595-E618 PolarHBondContact NZ-OE2 3.3Å; Y596-E618 HydrophobicContact CE2-CG 3.68Å; E618-F620 VanDerWaalsContact C-N 3.27Å; E618-F620 PolarHBondContact O-N 3.43Å
619	L	88.9	Confident	77.7	Confident	16 Å²	16	67.7 Å²	67.7	8%	0.084	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.1	174.5	-176.8	59.3	0	0	0	112.5	L458 L461 V592 L593 Y596 L614 S617	L458-L619 HydrophobicContact CD2-CD1 4.05Å; L458-L619 HydrophobicContact CD2-CG 4.44Å; L461-L619 HydrophobicContact CD2-CD2 4.36Å; V592-L619 HydrophobicContact CG1-CB 4.28Å; V592-L619 HydrophobicContact CG1-CD1 4.15Å; L593-L619 HydrophobicContact CB-CD1 4.01Å; L593-L619 HydrophobicContact CD1-CD1 3.92Å; L593-L619 HydrophobicContact CD1-CD2 4.1Å; Y596-L619 HydrophobicContact CD2-CB 4.15Å; Y596-L619 HydrophobicContact CE2-CB 4.44Å; L614-L619 HydrophobicContact CD1-CD2 3.99Å; L614-L619 HydrophobicContact CG-CD2 4.47Å; S617-L619 PolarHBondContact O-N 3.42Å; S617-L619 WeakPolarHBondContact OG-CB 3.37Å; S617-L619 PolarHBondContact OG-N 2.98Å
620	F	87.4	Confident	76	Confident	12 Å²	12	68.3 Å²	68.3	5%	0.053	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-21.1	177.7	-53.6	-67.8	0	0	0	112.9	L458 L461 R462 L465 L614 L615 S617 E618 N622	L458-F620 HydrophobicContact CD2-CE1 4.17Å; L461-F620 HydrophobicContact CD2-CZ 4.21Å; L461-F620 HydrophobicContact CG-CZ 4.13Å; R462-F620 HydrophobicContact CB-CD1 4.2Å; R462-F620 HydrophobicContact CB-CE1 3.97Å; R462-F620 HydrophobicContact CB-CZ 4.43Å; L465-F620 HydrophobicContact CD1-CE2 3.51Å; L465-F620 HydrophobicContact CD1-CZ 3.59Å; L614-F620 HydrophobicContact CG-CE2 4.34Å; L614-F620 WeakPolarHBondContact O-CD2 3.33Å; L615-F620 HydrophobicContact CD2-CD2 4.5Å; L615-F620 HydrophobicContact CD2-CE2 4.44Å; S617-F620 PolarHBondContact O-N 2.8Å; E618-F620 VanDerWaalsContact C-N 3.27Å; E618-F620 PolarHBondContact O-N 3.43Å; F620-N622 VanDerWaalsContact C-N 3.26Å; F620-N622 PolarHBondContact O-N 2.93Å
621	H	72.8	Confident	74.5	Confident	114 Å²	114	71.2 Å²	71.2	53%	0.528	37%	0.368	S	S	.	.			trans	-82.7	65.3	176.8	-73.4	74.5	0	0	0	112.2	L615 E616 S617	L615-H621 PolarHBondContact O-CE1 2.87Å; L615-H621 PolarHBondContact O-ND1 2.9Å; E616-H621 PolarHBondContact O-ND1 3.41Å; S617-H621 WeakPolarHBondContact O-CB 3.43Å; S617-H621 PolarHBondContact O-N 3.24Å; S617-H621 PolarHBondContact O-ND1 3.35Å; S617-H621 VanDerWaalsContact O-ND1 3.11Å
622	N	58.6	Low	73	Confident	111 Å²	111	76 Å²	76	59%	0.594	39%	0.39	S	S	*	.			trans	-98.7	150.4	167.7	-139.7	-14.5	0	0	0	110.2	F620 D624 M625	F620-N622 VanDerWaalsContact C-N 3.26Å; F620-N622 PolarHBondContact O-N 2.93Å; N622-D624 VanDerWaalsContact C-N 3.3Å; N622-D624 PolarHBondContact O-N 2.81Å; N622-M625 WeakPolarHBondContact O-CB 3.41Å; N622-M625 PolarHBondContact O-N 2.73Å
623	K	48.7	Very low	71.7	Confident	178 Å²	178	79 Å²	79	77%	0.774	40%	0.398	S	S	*	.	H	α-helix	trans	-60.2	-36.1	-162.8	-73.7	-177.3	177.2	177.8	0	114.3	M625 V626	K623-M625 VanDerWaalsContact C-N 3.33Å; K623-M625 PolarHBondContact O-N 2.93Å; K623-V626 PolarHBondContact O-N 3.44Å
624	D	53.9	Low	70.6	Confident	115 Å²	115	80 Å²	80	62%	0.615	40%	0.397	S	S	*	.	H	α-helix	trans	-71.6	-29.3	-178.6	-46.4	-71.1	0	0	0	112	N622 V626 V627 I628	N622-D624 VanDerWaalsContact C-N 3.3Å; N622-D624 PolarHBondContact O-N 2.81Å; D624-V626 VanDerWaalsContact C-N 3.34Å; D624-V626 PolarHBondContact O-N 3.07Å; D624-V627 WeakPolarHBondContact O-CB 3.42Å; D624-V627 PolarHBondContact O-N 2.84Å; D624-V627 VanDerWaalsContact O-N 3.12Å; D624-I628 WeakPolarHBondContact O-CG1 3.37Å; D624-I628 PolarHBondContact O-N 3.06Å
625	M	49.6	Very low	70	Confident	42 Å²	42	83.5 Å²	83.5	21%	0.207	42%	0.418	C	S	.	.	H	α-helix	trans	-69.4	-27.4	177.7	-88.2	-108.8	53.8	0	0	113.5	R462 N622 K623 V627 I628 H629	R462-M625 PolarHBondContact NH2-SD 2.92Å; N622-M625 WeakPolarHBondContact O-CB 3.41Å; N622-M625 PolarHBondContact O-N 2.73Å; K623-M625 VanDerWaalsContact C-N 3.33Å; K623-M625 PolarHBondContact O-N 2.93Å; M625-V627 VanDerWaalsContact C-N 3.29Å; M625-I628 HydrophobicContact CE-CB 4.25Å; M625-I628 HydrophobicContact CE-CG2 4.17Å; M625-I628 PolarHBondContact O-N 3.44Å; M625-H629 WeakPolarHBondContact O-CB 3.15Å; M625-H629 PolarHBondContact O-N 3.39Å
626	V	53.8	Low	69.3	Low	100 Å²	100	88.8 Å²	88.8	61%	0.606	44%	0.442	S	S	*	.	H	α-helix	trans	-67.5	-34.4	171.6	-178.5	0	0	0	0	110.6	K623 D624 G630	K623-V626 PolarHBondContact O-N 3.44Å; D624-V626 VanDerWaalsContact C-N 3.34Å; D624-V626 PolarHBondContact O-N 3.07Å; V626-G630 PolarHBondContact O-N 2.85Å
627	V	54.5	Low	69.1	Low	88 Å²	88	86.4 Å²	86.4	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-72.5	-44.3	175.3	-174.3	0	0	0	0	110.7	D624 M625 G630 L631	D624-V627 WeakPolarHBondContact O-CB 3.42Å; D624-V627 PolarHBondContact O-N 2.84Å; D624-V627 VanDerWaalsContact O-N 3.12Å; M625-V627 VanDerWaalsContact C-N 3.29Å; V627-G630 CarbonylContact O-C 3.52Å; V627-G630 PolarHBondContact O-N 3.37Å; V627-L631 HydrophobicContact CG1-CD1 4.12Å; V627-L631 WeakPolarHBondContact O-CB 3.38Å; V627-L631 VanDerWaalsContact O-CG 3.3Å; V627-L631 WeakPolarHBondContact O-CG 3.46Å; V627-L631 PolarHBondContact O-N 3.16Å
628	I	57.4	Low	68.7	Low	68 Å²	68	91.5 Å²	91.5	35%	0.349	45%	0.454	S	S	.	.	H	α-helix	trans	-65.9	-48.6	178.9	-66.4	165.9	0	0	0	111.2	D624 M625 G630 L631 Q632	D624-I628 WeakPolarHBondContact O-CG1 3.37Å; D624-I628 PolarHBondContact O-N 3.06Å; M625-I628 HydrophobicContact CE-CB 4.25Å; M625-I628 HydrophobicContact CE-CG2 4.17Å; M625-I628 PolarHBondContact O-N 3.44Å; I628-G630 VanDerWaalsContact C-N 3.3Å; I628-G630 PolarHBondContact O-N 2.98Å; I628-L631 CarbonylContact O-C 3.56Å; I628-L631 WeakPolarHBondContact O-CA 3.19Å; I628-L631 WeakPolarHBondContact O-CB 3.18Å; I628-L631 PolarHBondContact O-N 3.19Å; I628-Q632 HydrophobicContact CG2-CG 4.4Å; I628-Q632 WeakPolarHBondContact O-CG 3.46Å; I628-Q632 PolarHBondContact O-N 3.3Å
629	H	55.5	Low	68.5	Low	120 Å²	120	93.4 Å²	93.4	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-65.4	-34.3	176.7	-168.9	-54.9	0	0	0	111.7	M625 L631 K633	M625-H629 WeakPolarHBondContact O-CB 3.15Å; M625-H629 PolarHBondContact O-N 3.39Å; H629-L631 VanDerWaalsContact C-N 3.3Å; H629-K633 WeakPolarHBondContact O-CB 3.47Å; H629-K633 PolarHBondContact O-N 3.07Å
630	G	62.2	Low	68.4	Low	28 Å²	28	98.9 Å²	98.9	29%	0.289	49%	0.488	S	S	.	.	H	α-helix	trans	-70.1	-21.9	171.2	0	0	0	0	0	114	V626 V627 I628 R634	V626-G630 PolarHBondContact O-N 2.85Å; V627-G630 CarbonylContact O-C 3.52Å; V627-G630 PolarHBondContact O-N 3.37Å; I628-G630 VanDerWaalsContact C-N 3.3Å; I628-G630 PolarHBondContact O-N 2.98Å; G630-R634 WeakPolarHBondContact O-CG 3.42Å; G630-R634 PolarHBondContact O-NE 2.98Å; G630-R634 PolarHBondContact O-NH2 2.95Å
631	L	64.9	Low	68.6	Low	91 Å²	91	103.7 Å²	103.7	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-80.6	-48.5	169.2	-77.3	162.1	0	0	0	110.9	V627 I628 H629 K633 R634 V635	V627-L631 HydrophobicContact CG1-CD1 4.12Å; V627-L631 WeakPolarHBondContact O-CB 3.38Å; V627-L631 VanDerWaalsContact O-CG 3.3Å; V627-L631 WeakPolarHBondContact O-CG 3.46Å; V627-L631 PolarHBondContact O-N 3.16Å; I628-L631 CarbonylContact O-C 3.56Å; I628-L631 WeakPolarHBondContact O-CA 3.19Å; I628-L631 WeakPolarHBondContact O-CB 3.18Å; I628-L631 PolarHBondContact O-N 3.19Å; H629-L631 VanDerWaalsContact C-N 3.3Å; L631-K633 PolarHBondContact O-N 3.33Å; L631-R634 PolarHBondContact O-N 3.17Å; L631-R634 VanDerWaalsContact O-N 3.08Å; L631-V635 WeakPolarHBondContact O-CG2 3.06Å; L631-V635 PolarHBondContact O-N 2.81Å
632	Q	64.3	Low	69.4	Low	103 Å²	103	102 Å²	102	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-56	-48.6	178.6	-72.6	172.7	-53	0	0	111.6	I628 R634 V635 E636	I628-Q632 HydrophobicContact CG2-CG 4.4Å; I628-Q632 WeakPolarHBondContact O-CG 3.46Å; I628-Q632 PolarHBondContact O-N 3.3Å; Q632-R634 VanDerWaalsContact C-N 3.28Å; Q632-R634 PolarHBondContact O-N 3.36Å; Q632-V635 WeakPolarHBondContact O-CA 3.17Å; Q632-V635 WeakPolarHBondContact O-CB 3.28Å; Q632-V635 PolarHBondContact O-N 3.05Å; Q632-E636 PolarHBondContact O-N 3.01Å
633	K	68.4	Low	70.7	Confident	107 Å²	107	103.3 Å²	103.3	47%	0.465	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-38.2	176.5	-167	-178.1	-175.3	-111.4	0	112.8	H629 L631 V635 E636 E637	H629-K633 WeakPolarHBondContact O-CB 3.47Å; H629-K633 PolarHBondContact O-N 3.07Å; L631-K633 PolarHBondContact O-N 3.33Å; K633-V635 VanDerWaalsContact C-N 3.34Å; K633-E636 PolarHBondContact O-N 2.89Å; K633-E637 WeakPolarHBondContact CE-OE1 3.33Å; K633-E637 IonicContact NZ-OE1 3.52Å; K633-E637 PolarHBondContact NZ-OE1 2.92Å; K633-E637 WeakPolarHBondContact O-CB 3.16Å; K633-E637 WeakPolarHBondContact O-CG 3.37Å; K633-E637 PolarHBondContact O-N 3.02Å
634	R	73.7	Confident	72.6	Confident	129 Å²	129	100.7 Å²	100.7	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-70.5	-28.6	175.7	-75.3	-176.7	-62.3	-132.8	-5.9	113	G630 L631 Q632 Q638	G630-R634 WeakPolarHBondContact O-CG 3.42Å; G630-R634 PolarHBondContact O-NE 2.98Å; G630-R634 PolarHBondContact O-NH2 2.95Å; L631-R634 PolarHBondContact O-N 3.17Å; L631-R634 VanDerWaalsContact O-N 3.08Å; Q632-R634 VanDerWaalsContact C-N 3.28Å; Q632-R634 PolarHBondContact O-N 3.36Å; R634-Q638 WeakPolarHBondContact O-CB 3.43Å; R634-Q638 VanDerWaalsContact O-CG 3.23Å; R634-Q638 WeakPolarHBondContact O-CG 3.37Å; R634-Q638 PolarHBondContact O-N 3.22Å
635	V	82.3	Confident	74.2	Confident	75 Å²	75	99 Å²	99	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-69.5	-45.3	171.8	172.7	0	0	0	0	109.8	L631 Q632 K633 Q638 E639	L631-V635 WeakPolarHBondContact O-CG2 3.06Å; L631-V635 PolarHBondContact O-N 2.81Å; Q632-V635 WeakPolarHBondContact O-CA 3.17Å; Q632-V635 WeakPolarHBondContact O-CB 3.28Å; Q632-V635 PolarHBondContact O-N 3.05Å; K633-V635 VanDerWaalsContact C-N 3.34Å; V635-Q638 CarbonylContact O-C 3.55Å; V635-Q638 PolarHBondContact O-N 3.39Å; V635-E639 HydrophobicContact CG1-CG 4.44Å; V635-E639 WeakPolarHBondContact O-CG 3.44Å; V635-E639 PolarHBondContact O-N 2.87Å
636	E	81.1	Confident	76.1	Confident	128 Å²	128	105.5 Å²	105.5	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-59.5	-47.5	174.7	-66.5	172.6	154.6	0	0	111.7	Q632 K633 Q638 E639 E640	Q632-E636 PolarHBondContact O-N 3.01Å; K633-E636 PolarHBondContact O-N 2.89Å; E636-Q638 VanDerWaalsContact C-N 3.29Å; E636-Q638 PolarHBondContact O-N 3.19Å; E636-E639 PolarHBondContact O-N 2.68Å; E636-E640 PolarHBondContact O-N 2.97Å
637	E	87.8	Confident	77.7	Confident	92 Å²	92	109.5 Å²	109.5	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-57.3	-40.1	174.5	-72.6	165.5	172.1	0	0	112	K633 E641	K633-E637 WeakPolarHBondContact CE-OE1 3.33Å; K633-E637 IonicContact NZ-OE1 3.52Å; K633-E637 PolarHBondContact NZ-OE1 2.92Å; K633-E637 WeakPolarHBondContact O-CB 3.16Å; K633-E637 WeakPolarHBondContact O-CG 3.37Å; K633-E637 PolarHBondContact O-N 3.02Å; E637-E641 PolarHBondContact O-N 3.42Å; E637-E641 VanDerWaalsContact O-N 3.1Å
638	Q	84.6	Confident	79.2	Confident	117 Å²	117	110.1 Å²	110.1	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-73.5	-33.4	176.1	-77.5	179.9	-18.5	0	0	113.3	R634 V635 E636 E641 I642	R634-Q638 WeakPolarHBondContact O-CB 3.43Å; R634-Q638 VanDerWaalsContact O-CG 3.23Å; R634-Q638 WeakPolarHBondContact O-CG 3.37Å; R634-Q638 PolarHBondContact O-N 3.22Å; V635-Q638 CarbonylContact O-C 3.55Å; V635-Q638 PolarHBondContact O-N 3.39Å; E636-Q638 VanDerWaalsContact C-N 3.29Å; E636-Q638 PolarHBondContact O-N 3.19Å; Q638-E641 PolarHBondContact O-N 2.8Å; Q638-I642 WeakPolarHBondContact O-CB 3.3Å; Q638-I642 WeakPolarHBondContact O-CD1 3.34Å; Q638-I642 WeakPolarHBondContact O-CG1 3.48Å; Q638-I642 PolarHBondContact O-N 2.81Å
639	E	87.3	Confident	80.6	Confident	127 Å²	127	111.1 Å²	111.1	59%	0.593	52%	0.519	S	S	*	.	H	α-helix	trans	-69.7	-37.3	175.2	-74.6	-166.3	165.4	0	0	111.8	V635 E636 I642 M643	V635-E639 HydrophobicContact CG1-CG 4.44Å; V635-E639 WeakPolarHBondContact O-CG 3.44Å; V635-E639 PolarHBondContact O-N 2.87Å; E636-E639 PolarHBondContact O-N 2.68Å; E639-I642 PolarHBondContact O-N 3.05Å; E639-M643 WeakPolarHBondContact O-CB 3.01Å; E639-M643 PolarHBondContact O-N 3.03Å
640	E	88.1	Confident	82.1	Confident	131 Å²	131	108.1 Å²	108.1	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-63.2	-45.5	169.6	-71.3	-157.4	151	0	0	111.9	E636 I642 M643 Q644	E636-E640 PolarHBondContact O-N 2.97Å; E640-I642 PolarHBondContact O-N 2.75Å; E640-M643 WeakPolarHBondContact O-CB 3.3Å; E640-M643 PolarHBondContact O-N 2.89Å; E640-M643 VanDerWaalsContact O-N 3.14Å; E640-Q644 WeakPolarHBondContact O-CG 3.49Å; E640-Q644 PolarHBondContact O-N 3.04Å
641	E	90.8	Very high	82.9	Confident	114 Å²	114	112.1 Å²	112.1	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-46.8	175.8	-172.7	-179.2	-166.8	0	0	111.3	E637 Q638 M643 Q644 L645	E637-E641 PolarHBondContact O-N 3.42Å; E637-E641 VanDerWaalsContact O-N 3.1Å; Q638-E641 PolarHBondContact O-N 2.8Å; E641-M643 VanDerWaalsContact C-N 3.28Å; E641-M643 PolarHBondContact O-N 3.16Å; E641-Q644 PolarHBondContact O-N 2.82Å; E641-L645 HydrophobicContact CG-CD1 4Å; E641-L645 HydrophobicContact CG-CG 4.43Å; E641-L645 WeakPolarHBondContact O-CB 3.21Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.01Å
642	I	89.8	Confident	83.6	Confident	79 Å²	79	113.2 Å²	113.2	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-38.4	175	-72.6	165.3	0	0	0	111	Q638 E639 E640 R646	Q638-I642 WeakPolarHBondContact O-CB 3.3Å; Q638-I642 WeakPolarHBondContact O-CD1 3.34Å; Q638-I642 WeakPolarHBondContact O-CG1 3.48Å; Q638-I642 PolarHBondContact O-N 2.81Å; E639-I642 PolarHBondContact O-N 3.05Å; E640-I642 PolarHBondContact O-N 2.75Å; I642-R646 HydrophobicContact CG2-CG 4.44Å; I642-R646 WeakPolarHBondContact O-CB 3.45Å; I642-R646 WeakPolarHBondContact O-CG 3.49Å; I642-R646 PolarHBondContact O-N 3.2Å
643	M	86.6	Confident	84.2	Confident	137 Å²	137	113.8 Å²	113.8	68%	0.675	53%	0.531	S	S	*	.	H	α-helix	trans	-68.3	-41.3	177.2	-163	-176.9	-56.3	0	0	112	E639 E640 E641 R646 R647	E639-M643 WeakPolarHBondContact O-CB 3.01Å; E639-M643 PolarHBondContact O-N 3.03Å; E640-M643 WeakPolarHBondContact O-CB 3.3Å; E640-M643 PolarHBondContact O-N 2.89Å; E640-M643 VanDerWaalsContact O-N 3.14Å; E641-M643 VanDerWaalsContact C-N 3.28Å; E641-M643 PolarHBondContact O-N 3.16Å; M643-R646 PolarHBondContact O-N 3.34Å; M643-R647 WeakPolarHBondContact O-CB 3.48Å; M643-R647 PolarHBondContact O-N 2.85Å
644	Q	87.9	Confident	84.3	Confident	123 Å²	123	113.5 Å²	113.5	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-46.2	174.2	-68.8	-171.1	31	0	0	111.7	E640 E641 R646 R647 Q648	E640-Q644 WeakPolarHBondContact O-CG 3.49Å; E640-Q644 PolarHBondContact O-N 3.04Å; E641-Q644 PolarHBondContact O-N 2.82Å; Q644-R646 PolarHBondContact O-N 2.86Å; Q644-R647 WeakPolarHBondContact O-CB 3.49Å; Q644-R647 PolarHBondContact O-N 3.48Å; Q644-R647 VanDerWaalsContact O-N 3.13Å; Q644-Q648 WeakPolarHBondContact O-CG 3.39Å; Q644-Q648 PolarHBondContact O-N 2.89Å
645	L	88.3	Confident	83.8	Confident	79 Å²	79	110.6 Å²	110.6	41%	0.414	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-42	177.1	-70.9	171.1	0	0	0	111.8	E641 R647 Q648 I649	E641-L645 HydrophobicContact CG-CD1 4Å; E641-L645 HydrophobicContact CG-CG 4.43Å; E641-L645 WeakPolarHBondContact O-CB 3.21Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.01Å; L645-R647 VanDerWaalsContact C-N 3.32Å; L645-R647 PolarHBondContact O-N 3.44Å; L645-Q648 PolarHBondContact O-N 3.33Å; L645-I649 WeakPolarHBondContact O-CB 3.19Å; L645-I649 VanDerWaalsContact O-CG1 3.25Å; L645-I649 WeakPolarHBondContact O-CG1 3.35Å; L645-I649 PolarHBondContact O-N 2.94Å
646	R	88.6	Confident	82.6	Confident	179 Å²	179	115 Å²	115	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-59.9	-40.4	172.5	-76.2	172.1	-177.2	-168.7	5.2	112	I642 M643 Q644 I649 S650	I642-R646 HydrophobicContact CG2-CG 4.44Å; I642-R646 WeakPolarHBondContact O-CB 3.45Å; I642-R646 WeakPolarHBondContact O-CG 3.49Å; I642-R646 PolarHBondContact O-N 3.2Å; M643-R646 PolarHBondContact O-N 3.34Å; Q644-R646 PolarHBondContact O-N 2.86Å; R646-I649 PolarHBondContact O-N 2.91Å; R646-S650 WeakPolarHBondContact O-CB 3.42Å; R646-S650 PolarHBondContact O-N 3.46Å
647	R	87.1	Confident	81.5	Confident	185 Å²	185	112.6 Å²	112.6	70%	0.698	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-43.7	176.7	-168.7	176.5	-176.1	175.3	0.5	111.8	M643 Q644 L645 S650 Q651	M643-R647 WeakPolarHBondContact O-CB 3.48Å; M643-R647 PolarHBondContact O-N 2.85Å; Q644-R647 WeakPolarHBondContact O-CB 3.49Å; Q644-R647 PolarHBondContact O-N 3.48Å; Q644-R647 VanDerWaalsContact O-N 3.13Å; L645-R647 VanDerWaalsContact C-N 3.32Å; L645-R647 PolarHBondContact O-N 3.44Å; R647-S650 PolarHBondContact O-N 3.43Å; R647-Q651 WeakPolarHBondContact O-CG 3.49Å; R647-Q651 PolarHBondContact O-N 2.87Å
648	Q	86.7	Confident	79.8	Confident	100 Å²	100	112.5 Å²	112.5	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-44.2	174.7	-70.3	-180	4	0	0	112.2	Q644 L645 S650 Q651 L652	Q644-Q648 WeakPolarHBondContact O-CG 3.39Å; Q644-Q648 PolarHBondContact O-N 2.89Å; L645-Q648 PolarHBondContact O-N 3.33Å; Q648-S650 VanDerWaalsContact C-N 3.33Å; Q648-S650 PolarHBondContact O-N 3.07Å; Q648-Q651 PolarHBondContact O-N 3.37Å; Q648-L652 WeakPolarHBondContact O-CB 3.46Å; Q648-L652 WeakPolarHBondContact O-CG 3.25Å; Q648-L652 PolarHBondContact O-N 2.89Å
649	I	87.8	Confident	78.4	Confident	90 Å²	90	110.7 Å²	110.7	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-59.5	-44.5	175.8	-71.2	164.9	0	0	0	110.5	L645 R646 Q651 L652 Q653	L645-I649 WeakPolarHBondContact O-CB 3.19Å; L645-I649 VanDerWaalsContact O-CG1 3.25Å; L645-I649 WeakPolarHBondContact O-CG1 3.35Å; L645-I649 PolarHBondContact O-N 2.94Å; R646-I649 PolarHBondContact O-N 2.91Å; I649-Q651 PolarHBondContact O-N 3.12Å; I649-L652 PolarHBondContact O-N 3.11Å; I649-Q653 HydrophobicContact CG2-CG 4.31Å; I649-Q653 WeakPolarHBondContact O-CB 3.28Å; I649-Q653 VanDerWaalsContact O-CG 3.27Å; I649-Q653 WeakPolarHBondContact O-CG 3.28Å; I649-Q653 PolarHBondContact O-N 2.84Å
650	S	85.1	Confident	76.6	Confident	57 Å²	57	107.2 Å²	107.2	40%	0.399	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-40	177.2	-174.7	0	0	0	0	112.4	R646 R647 Q648 Q653 N654	R646-S650 WeakPolarHBondContact O-CB 3.42Å; R646-S650 PolarHBondContact O-N 3.46Å; R647-S650 PolarHBondContact O-N 3.43Å; Q648-S650 VanDerWaalsContact C-N 3.33Å; Q648-S650 PolarHBondContact O-N 3.07Å; S650-Q653 PolarHBondContact O-N 2.99Å; S650-N654 WeakPolarHBondContact O-CB 3.5Å; S650-N654 VanDerWaalsContact O-CG 3.27Å; S650-N654 PolarHBondContact O-N 2.85Å; S650-N654 PolarHBondContact O-ND2 2.93Å
651	Q	80.3	Confident	74.9	Confident	111 Å²	111	108 Å²	108	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-49.1	172.4	-74	170.9	-32.5	0	0	111.7	R647 Q648 I649 Q653 N654 S655	R647-Q651 WeakPolarHBondContact O-CG 3.49Å; R647-Q651 PolarHBondContact O-N 2.87Å; Q648-Q651 PolarHBondContact O-N 3.37Å; I649-Q651 PolarHBondContact O-N 3.12Å; Q651-Q653 VanDerWaalsContact C-N 3.34Å; Q651-Q653 PolarHBondContact O-N 2.78Å; Q651-N654 PolarHBondContact O-N 3.44Å; Q651-S655 PolarHBondContact O-N 2.69Å; Q651-S655 PolarHBondContact O-OG 3.45Å; Q651-S655 VanDerWaalsContact O-OG 3.08Å
652	L	79.6	Confident	72.9	Confident	114 Å²	114	106.5 Å²	106.5	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-33.2	179.5	-70.2	169.9	0	0	0	113.2	Q648 I649 K656	Q648-L652 WeakPolarHBondContact O-CB 3.46Å; Q648-L652 WeakPolarHBondContact O-CG 3.25Å; Q648-L652 PolarHBondContact O-N 2.89Å; I649-L652 PolarHBondContact O-N 3.11Å; L652-K656 PolarHBondContact O-N 2.86Å
653	Q	77.4	Confident	71.1	Confident	115 Å²	115	109.2 Å²	109.2	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-47.1	172.1	-77.8	173.8	-21.5	0	0	110.9	I649 S650 Q651 S655 K656 V657	I649-Q653 HydrophobicContact CG2-CG 4.31Å; I649-Q653 WeakPolarHBondContact O-CB 3.28Å; I649-Q653 VanDerWaalsContact O-CG 3.27Å; I649-Q653 WeakPolarHBondContact O-CG 3.28Å; I649-Q653 PolarHBondContact O-N 2.84Å; S650-Q653 PolarHBondContact O-N 2.99Å; Q651-Q653 VanDerWaalsContact C-N 3.34Å; Q651-Q653 PolarHBondContact O-N 2.78Å; Q653-S655 VanDerWaalsContact C-N 3.33Å; Q653-S655 PolarHBondContact O-N 2.86Å; Q653-K656 PolarHBondContact O-N 3.18Å; Q653-V657 WeakPolarHBondContact O-CG2 3.44Å; Q653-V657 PolarHBondContact O-N 3.39Å
654	N	69.8	Low	69.3	Low	101 Å²	101	109.1 Å²	109.1	54%	0.54	55%	0.546	S	S	.	.	H	α-helix	trans	-59.9	-42.9	174.6	-70.6	-18.1	0	0	0	111.3	S650 Q651 K656 V657 T658	S650-N654 WeakPolarHBondContact O-CB 3.5Å; S650-N654 VanDerWaalsContact O-CG 3.27Å; S650-N654 PolarHBondContact O-N 2.85Å; S650-N654 PolarHBondContact O-ND2 2.93Å; Q651-N654 PolarHBondContact O-N 3.44Å; N654-K656 PolarHBondContact O-N 2.93Å; N654-V657 PolarHBondContact O-N 3.32Å; N654-T658 PolarHBondContact O-N 3.06Å; N654-T658 PolarHBondContact O-OG1 2.83Å
655	S	62.7	Low	67.4	Low	69 Å²	69	110.5 Å²	110.5	48%	0.483	56%	0.557	S	S	.	*	H	α-helix	trans	-59.5	-44.1	173.9	-58.3	0	0	0	0	112.8	Q651 Q653 T658 V659	Q651-S655 PolarHBondContact O-N 2.69Å; Q651-S655 PolarHBondContact O-OG 3.45Å; Q651-S655 VanDerWaalsContact O-OG 3.08Å; Q653-S655 VanDerWaalsContact C-N 3.33Å; Q653-S655 PolarHBondContact O-N 2.86Å; S655-T658 WeakPolarHBondContact O-CB 3.34Å; S655-T658 PolarHBondContact O-N 2.73Å; S655-V659 WeakPolarHBondContact O-CG2 3.35Å; S655-V659 PolarHBondContact O-N 3.39Å
656	K	58.4	Low	65.7	Low	166 Å²	166	115.3 Å²	115.3	72%	0.722	58%	0.575	S	S	*	*	H	α-helix	trans	-63.9	-40.1	175.8	-86.5	-172.6	170.4	-176.4	0	112.7	L652 Q653 N654 V659 S660	L652-K656 PolarHBondContact O-N 2.86Å; Q653-K656 PolarHBondContact O-N 3.18Å; N654-K656 PolarHBondContact O-N 2.93Å; K656-V659 PolarHBondContact O-N 3.49Å; K656-S660 PolarHBondContact O-N 3.09Å; K656-S660 PolarHBondContact O-OG 3.18Å
657	V	56.1	Low	63.5	Low	78 Å²	78	116 Å²	116	47%	0.473	60%	0.599	S	S	.	*	H	α-helix	trans	-61.5	-45.5	174.1	172.3	0	0	0	0	110.1	Q653 N654 V659 S660 F661	Q653-V657 WeakPolarHBondContact O-CG2 3.44Å; Q653-V657 PolarHBondContact O-N 3.39Å; N654-V657 PolarHBondContact O-N 3.32Å; V657-V659 VanDerWaalsContact C-N 3.34Å; V657-V659 PolarHBondContact O-N 3.09Å; V657-S660 WeakPolarHBondContact CA-OG 3.25Å; V657-S660 PolarHBondContact O-N 3.35Å; V657-S660 PolarHBondContact O-OG 2.93Å; V657-F661 HydrophobicContact CG1-CD2 3.92Å; V657-F661 HydrophobicContact CG1-CE2 4.02Å; V657-F661 PolarHBondContact O-N 2.82Å; V657-F661 VanDerWaalsContact O-N 3.07Å
658	T	53.1	Low	62.3	Low	90 Å²	90	112.5 Å²	112.5	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-57.3	-44.9	175.5	-49.3	0	0	0	0	112.2	N654 S655 F661 T662	N654-T658 PolarHBondContact O-N 3.06Å; N654-T658 PolarHBondContact O-OG1 2.83Å; S655-T658 WeakPolarHBondContact O-CB 3.34Å; S655-T658 PolarHBondContact O-N 2.73Å; T658-F661 PolarHBondContact O-N 3.16Å; T658-T662 PolarHBondContact O-N 3.39Å; T658-T662 VanDerWaalsContact O-N 3.16Å; T658-T662 PolarHBondContact O-OG1 3.23Å
659	V	54.5	Low	61	Low	80 Å²	80	113.2 Å²	113.2	49%	0.485	60%	0.601	S	S	.	*	H	α-helix	trans	-61	-46.8	176.7	173.1	0	0	0	0	111.4	S655 K656 V657 F661 T662 E663	S655-V659 WeakPolarHBondContact O-CG2 3.35Å; S655-V659 PolarHBondContact O-N 3.39Å; K656-V659 PolarHBondContact O-N 3.49Å; V657-V659 VanDerWaalsContact C-N 3.34Å; V657-V659 PolarHBondContact O-N 3.09Å; V659-F661 VanDerWaalsContact C-N 3.31Å; V659-F661 PolarHBondContact O-N 2.93Å; V659-T662 WeakPolarHBondContact CA-OG1 3.45Å; V659-T662 PolarHBondContact O-N 3.29Å; V659-T662 PolarHBondContact O-OG1 3.41Å; V659-E663 PolarHBondContact O-N 3.32Å
660	S	51.2	Low	59.5	Low	53 Å²	53	114.4 Å²	114.4	37%	0.371	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-34.2	179.3	60.6	0	0	0	0	113.9	K656 V657 E663 L664	K656-S660 PolarHBondContact O-N 3.09Å; K656-S660 PolarHBondContact O-OG 3.18Å; V657-S660 WeakPolarHBondContact CA-OG 3.25Å; V657-S660 PolarHBondContact O-N 3.35Å; V657-S660 PolarHBondContact O-OG 2.93Å; S660-E663 PolarHBondContact O-N 3.44Å; S660-L664 WeakPolarHBondContact O-CD1 3.36Å; S660-L664 PolarHBondContact O-N 3.18Å
661	F	50.7	Low	58	Low	148 Å²	148	117.8 Å²	117.8	65%	0.649	62%	0.621	S	S	*	*	H	α-helix	trans	-68.8	-35.5	172.8	-90.6	-81.6	0	0	0	112.3	V657 T658 V659 E663	V657-F661 HydrophobicContact CG1-CD2 3.92Å; V657-F661 HydrophobicContact CG1-CE2 4.02Å; V657-F661 PolarHBondContact O-N 2.82Å; V657-F661 VanDerWaalsContact O-N 3.07Å; T658-F661 PolarHBondContact O-N 3.16Å; V659-F661 VanDerWaalsContact C-N 3.31Å; V659-F661 PolarHBondContact O-N 2.93Å; F661-E663 VanDerWaalsContact C-N 3.27Å; F661-E663 PolarHBondContact O-N 3.17Å
662	T	50.3	Low	56.7	Low	82 Å²	82	118.3 Å²	118.3	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-73.4	-12.6	176.5	55.6	0	0	0	0	115.2	T658 V659	T658-T662 PolarHBondContact O-N 3.39Å; T658-T662 VanDerWaalsContact O-N 3.16Å; T658-T662 PolarHBondContact O-OG1 3.23Å; V659-T662 WeakPolarHBondContact CA-OG1 3.45Å; V659-T662 PolarHBondContact O-N 3.29Å; V659-T662 PolarHBondContact O-OG1 3.41Å
663	E	51.3	Low	55.1	Low	136 Å²	136	118.5 Å²	118.5	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-91.8	-30.8	173.8	-69.8	-172.1	134.4	0	0	113	V659 S660 F661	V659-E663 PolarHBondContact O-N 3.32Å; S660-E663 PolarHBondContact O-N 3.44Å; F661-E663 VanDerWaalsContact C-N 3.27Å; F661-E663 PolarHBondContact O-N 3.17Å
664	L	48.9	Very low	53.5	Low	136 Å²	136	118.8 Å²	118.8	71%	0.712	64%	0.636	S	S	*	*	H	α-helix	trans	-73.8	-24.8	175.6	-90.8	94.6	0	0	0	114.1	S660 K666	S660-L664 WeakPolarHBondContact O-CD1 3.36Å; S660-L664 PolarHBondContact O-N 3.18Å; L664-K666 PolarHBondContact O-N 3.46Å; L664-K666 VanDerWaalsContact O-N 3.11Å
665	D	48.1	Very low	52.3	Low	152 Å²	152	120.2 Å²	120.2	81%	0.813	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	18.2	175.3	-93.9	-12.8	0	0	0	113.6
666	K	52.3	Low	51.4	Low	180 Å²	180	124.4 Å²	124.4	78%	0.783	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	19.7	-174.9	-77.8	-172.5	176.7	173.9	0	116.1	L664	L664-K666 PolarHBondContact O-N 3.46Å; L664-K666 VanDerWaalsContact O-N 3.11Å
667	T	42.3	Very low	50.8	Low	192 Å²	192	120.6 Å²	120.6	100%	1.178	65%	0.65	S	S	*	*			trans	-124	0	172.1	58.3	0	0	0	0	111.9

Retrieved 667 of 667 residues in 656.2 ms (Link to these results)

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