A0A5K4F019_SCHMA Loading...

Cadherin domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F019, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 737 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	26.4	Very low	243 Å²	243	149.4 Å²	149.4	100%	1.197	81%	0.813	S	S	*	*				0	87.3	0	-76.5	178.4	174	0	0	107.9
2	N	26.7	Very low	26.2	Very low	164 Å²	164	151.7 Å²	151.7	88%	0.877	81%	0.813	S	S	*	*			trans	-116.3	110.8	176.7	-79.7	-11	0	0	0	107.8
3	K	27.6	Very low	26.1	Very low	189 Å²	189	156.8 Å²	156.8	82%	0.822	82%	0.817	S	S	*	*			trans	-115.3	115.7	158.5	-91.7	-171.9	175.5	-177.5	0	107.1
4	P	29.3	Very low	26.1	Very low	127 Å²	127	160.4 Å²	160.4	83%	0.825	82%	0.816	S	S	*	*			trans	-83	108.7	159.7	30	-22.9	0	0	0	107.6	S6	P4-S6 PolarHBondContact O-N 3.38Å
5	N	27.7	Very low	26	Very low	138 Å²	138	154.9 Å²	154.9	74%	0.738	81%	0.805	S	S	*	*			trans	-79.1	106.6	167.2	-86.6	-4.1	0	0	0	108.7
6	S	26.6	Very low	25.9	Very low	100 Å²	100	153.8 Å²	153.8	70%	0.699	80%	0.799	S	S	*	*			trans	10.3	116.1	133.4	58.1	0	0	0	0	117.8	P4	P4-S6 PolarHBondContact O-N 3.38Å
7	S	26.1	Very low	25.8	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	79%	0.794	S	S	*	*				-149.3	79.8	127.4	58.5	0	0	0	0	108.5	T9	S7-T9 PolarHBondContact O-N 3.08Å
8	I	24	Very low	25.7	Very low	149 Å²	149	151.2 Å²	151.2	76%	0.764	79%	0.787	S	S	*	*			trans	-62.7	113.1	154.9	-69.8	166.9	0	0	0	105.9	Q10	I8-Q10 HydrophobicContact CG2-CG 4.39Å
9	T	24	Very low	25.6	Very low	123 Å²	123	151.3 Å²	151.3	76%	0.755	78%	0.783	S	S	*	*			trans	-122.1	90.2	147.6	38.5	0	0	0	0	106.2	S7 N11	S7-T9 PolarHBondContact O-N 3.08Å; T9-N11 VanDerWaalsContact C-N 3.25Å; T9-N11 PolarHBondContact O-N 3.11Å
10	Q	24.3	Very low	25.5	Very low	167 Å²	167	148.1 Å²	148.1	78%	0.78	77%	0.771	S	S	*	*			trans	-63.6	98	153.1	-80.8	177.8	-30.6	0	0	106.2	I8	I8-Q10 HydrophobicContact CG2-CG 4.39Å
11	N	24.7	Very low	25.4	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	76%	0.764	S	S	*	*			trans	-120.2	105.2	152.4	-88.7	-20.9	0	0	0	106	T9 Y13	T9-N11 VanDerWaalsContact C-N 3.25Å; T9-N11 PolarHBondContact O-N 3.11Å; N11-Y13 VanDerWaalsContact C-N 3.26Å; N11-Y13 PolarHBondContact O-N 2.64Å
12	H	24	Very low	25.2	Very low	177 Å²	177	143.4 Å²	143.4	82%	0.819	74%	0.743	S	S	*	*			trans	-45.3	99.9	151.2	-75.9	-75	0	0	0	107.2	Y14	H12-Y14 VanDerWaalsContact C-N 3.32Å; H12-Y14 PolarHBondContact O-N 2.64Å
13	Y	25.3	Very low	25	Very low	219 Å²	219	142.7 Å²	142.7	86%	0.859	74%	0.735	S	S	*	*			trans	-69.2	105.1	165.4	-112.7	-92.1	0	0	0	105.2	N11 A15	N11-Y13 VanDerWaalsContact C-N 3.26Å; N11-Y13 PolarHBondContact O-N 2.64Å; Y13-A15 PolarHBondContact O-N 3.29Å
14	Y	25.6	Very low	24.9	Very low	206 Å²	206	140.2 Å²	140.2	81%	0.808	73%	0.73	S	S	*	*			trans	-29.1	113.5	167.5	-77.5	-94.1	0	0	0	109.5	H12 I16	H12-Y14 VanDerWaalsContact C-N 3.32Å; H12-Y14 PolarHBondContact O-N 2.64Å; Y14-I16 VanDerWaalsContact C-N 3.25Å; Y14-I16 PolarHBondContact O-N 3.06Å
15	A	24.3	Very low	24.6	Very low	79 Å²	79	141.9 Å²	141.9	65%	0.653	73%	0.727	S	S	*	*			trans	-48.4	110.2	141.3	0	0	0	0	0	104.3	Y13 D17	Y13-A15 PolarHBondContact O-N 3.29Å; A15-D17 PolarHBondContact O-N 3.33Å
16	I	25.2	Very low	24.5	Very low	136 Å²	136	140.5 Å²	140.5	70%	0.697	72%	0.723	S	S	*	*			trans	-64.8	95.9	163.7	-62.8	174.7	0	0	0	102.7	Y14 L18	Y14-I16 VanDerWaalsContact C-N 3.25Å; Y14-I16 PolarHBondContact O-N 3.06Å; I16-L18 HydrophobicContact CG2-CB 4.26Å; I16-L18 HydrophobicContact CG2-CD1 3.57Å; I16-L18 HydrophobicContact CG2-CG 3.82Å; I16-L18 PolarHBondContact O-N 3.16Å
17	D	23.8	Very low	24.4	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	72%	0.72	S	S	*	*			trans	-56.6	74.4	153.4	-80.4	-36.4	0	0	0	106.7	A15 Q19	A15-D17 PolarHBondContact O-N 3.33Å; D17-Q19 PolarHBondContact O-N 3.08Å; D17-Q19 VanDerWaalsContact O-N 3.11Å
18	L	23.9	Very low	24.3	Very low	126 Å²	126	140.4 Å²	140.4	66%	0.66	72%	0.719	S	S	*	*			trans	-78	70.3	144.6	-90.7	147.5	0	0	0	105.2	I16 T20	I16-L18 HydrophobicContact CG2-CB 4.26Å; I16-L18 HydrophobicContact CG2-CD1 3.57Å; I16-L18 HydrophobicContact CG2-CG 3.82Å; I16-L18 PolarHBondContact O-N 3.16Å; L18-T20 PolarHBondContact O-N 2.85Å
19	Q	22.8	Very low	24.5	Very low	154 Å²	154	139 Å²	139	72%	0.72	71%	0.712	S	S	*	*			trans	-64.6	56.1	149.8	-137.2	176.4	2.2	0	0	107.6	D17 D21	D17-Q19 PolarHBondContact O-N 3.08Å; D17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-D21 PolarHBondContact O-N 3.47Å
20	T	24	Very low	24.5	Very low	87 Å²	87	137.3 Å²	137.3	53%	0.534	71%	0.705	S	S	.	*			trans	-78.8	87.5	151.4	14.1	0	0	0	0	104	L18 F22	L18-T20 PolarHBondContact O-N 2.85Å; T20-F22 PolarHBondContact O-N 3.16Å
21	D	24.6	Very low	24.7	Very low	120 Å²	120	135 Å²	135	64%	0.642	70%	0.698	S	S	*	*			trans	-53	86.3	153.8	-78.5	-32.4	0	0	0	107	Q19 Q23	Q19-D21 PolarHBondContact O-N 3.47Å; D21-Q23 PolarHBondContact O-N 3.46Å
22	F	23.8	Very low	24.9	Very low	172 Å²	172	136.5 Å²	136.5	75%	0.754	70%	0.699	S	S	*	*			trans	-68.7	71.5	148.4	-88.6	-82.5	0	0	0	106.1	T20 L24	T20-F22 PolarHBondContact O-N 3.16Å; F22-L24 PolarHBondContact O-N 3.26Å
23	Q	24.1	Very low	25	Very low	150 Å²	150	135.9 Å²	135.9	70%	0.701	70%	0.701	S	S	*	*			trans	-60.1	91.6	140.6	-74.4	-174.6	2.4	0	0	104.4	D21 Q25	D21-Q23 PolarHBondContact O-N 3.46Å; Q23-Q25 PolarHBondContact O-N 3.29Å
24	L	24.7	Very low	24.9	Very low	136 Å²	136	131.3 Å²	131.3	71%	0.712	69%	0.691	S	S	*	*			trans	-57.9	86.6	148.6	-97.9	117.2	0	0	0	104.8	F22 T26	F22-L24 PolarHBondContact O-N 3.26Å; L24-T26 PolarHBondContact O-N 3.41Å
25	Q	22.8	Very low	25	Very low	162 Å²	162	131 Å²	131	76%	0.757	69%	0.69	S	S	*	*			trans	-50.2	96.7	142.5	-82.6	-179.1	-16.3	0	0	103.8	Q23 P27	Q23-Q25 PolarHBondContact O-N 3.29Å; Q25-P27 WeakPolarHBondContact O-CD 3.35Å
26	T	25.5	Very low	25	Very low	109 Å²	109	133.7 Å²	133.7	67%	0.669	69%	0.693	S	S	*	*			trans	-50.9	113.1	155.5	27.8	0	0	0	0	103.5	L24 C28	L24-T26 PolarHBondContact O-N 3.41Å; T26-C28 PolarHBondContact O-N 2.84Å
27	P	24.6	Very low	25	Very low	97 Å²	97	134.9 Å²	134.9	63%	0.63	70%	0.7	S	S	*	*			trans	-56.4	119.6	169	22.6	-28.4	0	0	0	103.9	Q25 I29	Q25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-I29 HydrophobicContact CB-CG1 4.17Å; P27-I29 HydrophobicContact CG-CD1 4.3Å; P27-I29 HydrophobicContact CG-CG1 4.14Å; P27-I29 PolarHBondContact O-N 3.16Å
28	C	24.4	Very low	25.1	Very low	114 Å²	114	132.6 Å²	132.6	77%	0.77	70%	0.695	S	S	*	*			trans	-57.2	88.4	162.8	-52.1	0	0	0	0	104.6	T26 S30	T26-C28 PolarHBondContact O-N 2.84Å; C28-S30 PolarHBondContact O-N 2.87Å
29	I	27.6	Very low	25.2	Very low	120 Å²	120	132.5 Å²	132.5	62%	0.615	70%	0.702	S	S	*	*			trans	-77.6	69.2	168.4	-58.7	169.9	0	0	0	104.5	P27 N31 F32	P27-I29 HydrophobicContact CB-CG1 4.17Å; P27-I29 HydrophobicContact CG-CD1 4.3Å; P27-I29 HydrophobicContact CG-CG1 4.14Å; P27-I29 PolarHBondContact O-N 3.16Å; I29-N31 VanDerWaalsContact C-N 3.32Å; I29-F32 HydrophobicContact CG2-CB 4.11Å; I29-F32 HydrophobicContact CG2-CD2 3.88Å; I29-F32 HydrophobicContact CG2-CG 4.5Å
30	S	25.2	Very low	25.4	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	71%	0.706	S	S	*	*			trans	-94	11.5	160.7	78.2	0	0	0	0	111.5	C28	C28-S30 PolarHBondContact O-N 2.87Å
31	N	28.6	Very low	25.5	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	72%	0.72	S	S	*	*	S	Bend	trans	-124.8	28.3	-176	-71.2	20.1	0	0	0	114.1	I29	I29-N31 VanDerWaalsContact C-N 3.32Å
32	F	27.7	Very low	25.6	Very low	164 Å²	164	137.6 Å²	137.6	72%	0.719	73%	0.733	S	S	*	*	S	Bend	trans	-116	16.6	164.9	-88.7	-70.6	0	0	0	113.7	I29	I29-F32 HydrophobicContact CG2-CB 4.11Å; I29-F32 HydrophobicContact CG2-CD2 3.88Å; I29-F32 HydrophobicContact CG2-CG 4.5Å
33	L	25.6	Very low	25.4	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	74%	0.736	S	S	*	*	S	Bend	trans	-116.7	8.2	168.8	-75.2	173.4	0	0	0	114.4	Y35	L33-Y35 PolarHBondContact O-N 2.64Å
34	D	25	Very low	25.4	Very low	123 Å²	123	140.2 Å²	140.2	66%	0.658	74%	0.743	S	S	*	*			trans	-89.9	59.4	161.7	-62.2	-23.8	0	0	0	109.2	D36	D34-D36 VanDerWaalsContact C-N 3.3Å
35	Y	26	Very low	25.4	Very low	199 Å²	199	139.4 Å²	139.4	78%	0.78	74%	0.74	S	S	*	*			trans	-91.9	87.1	146.3	-96.1	-86.9	0	0	0	105.4	L33 L37	L33-Y35 PolarHBondContact O-N 2.64Å; Y35-L37 PolarHBondContact O-N 3.4Å
36	D	24.7	Very low	25.5	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	74%	0.74	S	S	*	*			trans	-48.8	95.1	155.9	-82.9	-37.4	0	0	0	108	D34 S38	D34-D36 VanDerWaalsContact C-N 3.3Å; D36-S38 PolarHBondContact O-N 3.2Å
37	L	25.6	Very low	25.5	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	75%	0.75	S	S	*	*			trans	-71.6	70.7	151.6	-70.3	171.1	0	0	0	106.2	Y35	Y35-L37 PolarHBondContact O-N 3.4Å
38	S	25.1	Very low	25.4	Very low	87 Å²	87	143.7 Å²	143.7	61%	0.608	76%	0.759	S	S	*	*			trans	-54.4	127.9	157	-70.7	0	0	0	0	106.6	D36 S40	D36-S38 PolarHBondContact O-N 3.2Å; S38-S40 PolarHBondContact O-N 3.28Å
39	P	26.1	Very low	25.4	Very low	124 Å²	124	146 Å²	146	81%	0.805	76%	0.763	S	S	*	*			trans	-60.6	125.1	-168.4	-18.3	29.1	0	0	0	109.6	E41	P39-E41 VanDerWaalsContact C-N 3.3Å; P39-E41 PolarHBondContact O-N 2.85Å
40	S	27.9	Very low	25	Very low	115 Å²	115	147 Å²	147	80%	0.804	77%	0.769	S	S	*	*			trans	-58.8	99.4	167.5	-49.3	0	0	0	0	108.4	S38 L42	S38-S40 PolarHBondContact O-N 3.28Å; S40-L42 PolarHBondContact O-N 2.93Å
41	E	26.3	Very low	25	Very low	181 Å²	181	151.3 Å²	151.3	85%	0.846	78%	0.784	S	S	*	*			trans	48.9	74	138.9	-61.7	174.4	178.3	0	0	114.1	P39 R43	P39-E41 VanDerWaalsContact C-N 3.3Å; P39-E41 PolarHBondContact O-N 2.85Å; E41-R43 PolarHBondContact O-N 3.29Å
42	L	25.9	Very low	24.6	Very low	172 Å²	172	154 Å²	154	90%	0.901	79%	0.793	S	S	*	*			trans	-56.7	95.2	141.4	-97.7	159.4	0	0	0	107.3	S40 N44	S40-L42 PolarHBondContact O-N 2.93Å; L42-N44 PolarHBondContact O-N 3.45Å
43	R	20.8	Very low	24.4	Very low	218 Å²	218	150 Å²	150	82%	0.823	80%	0.798	S	S	*	*			trans	-42.6	101.8	167.9	-160.5	-178.6	-171.6	-167.7	2.5	109.1	E41	E41-R43 PolarHBondContact O-N 3.29Å
44	N	24.6	Very low	24.2	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	80%	0.797	S	S	*	*			trans	-116.5	105.6	170	-146.5	8.1	0	0	0	107.5	L42	L42-N44 PolarHBondContact O-N 3.45Å
45	D	23.6	Very low	24	Very low	119 Å²	119	144 Å²	144	64%	0.636	81%	0.805	S	S	*	*			trans	-60.2	143	173.1	-67.8	-48.6	0	0	0	109.9
46	N	24	Very low	24.1	Very low	144 Å²	144	143.6 Å²	143.6	77%	0.77	81%	0.81	S	S	*	*			trans	81.9	90.9	171.8	-55.3	-33.1	0	0	0	117.9
47	N	27	Very low	24	Very low	163 Å²	163	146 Å²	146	87%	0.872	82%	0.817	S	S	*	*				173.8	133.7	101.8	-91.4	-28.8	0	0	0	112.3
48	N	22.8	Very low	23.8	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	82%	0.82	S	S	*	*			trans	-60.9	127.4	169.7	-66.5	-40	0	0	0	111.4
49	N	23.7	Very low	23.7	Very low	162 Å²	162	149 Å²	149	87%	0.866	83%	0.83	S	S	*	*				-179.9	129.9	114.5	-90.8	-20.2	0	0	0	112.5
50	L	19.4	Very low	23.4	Very low	140 Å²	140	151.8 Å²	151.8	73%	0.733	83%	0.833	S	S	*	*			trans	-48.5	138.4	167.1	-173.4	75.6	0	0	0	113.2
51	L	24.2	Very low	23.2	Very low	178 Å²	178	153.2 Å²	153.2	93%	0.932	83%	0.83	S	S	*	*			trans	-158.2	105	140	-99.1	164.6	0	0	0	109.2
52	E	21	Very low	22.9	Very low	175 Å²	175	149.6 Å²	149.6	82%	0.818	83%	0.825	S	S	*	*			trans	-72.6	155	165.7	-83.1	175.7	126.9	0	0	112.1
53	G	22.8	Very low	22.9	Very low	80 Å²	80	150.4 Å²	150.4	83%	0.825	82%	0.821	S	S	*	*			trans	136.4	93.6	165.3	0	0	0	0	0	110.1
54	G	22	Very low	23	Very low	81 Å²	81	146.4 Å²	146.4	84%	0.835	82%	0.82	S	S	*	*				99.6	120.1	72.7	0	0	0	0	0	107.2
55	G	21.2	Very low	22.8	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	81%	0.814	S	S	*	*			cis	109.3	55.2	30.1	0	0	0	0	0	109.8
56	E	27	Very low	22.9	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	82%	0.824	S	S	*	*			trans	-96.9	109.4	178.6	-69.3	-171.1	165.9	0	0	110.9
57	Q	22.7	Very low	22.9	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	83%	0.825	S	S	*	*			trans	-77.5	117.4	170.1	-79.4	178.3	-29.5	0	0	110.3	Q59	Q57-Q59 PolarHBondContact O-N 3.03Å
58	C	22.7	Very low	22.8	Very low	135 Å²	135	147.5 Å²	147.5	91%	0.912	82%	0.818	S	S	*	*			trans	-81.2	111.3	168.3	-72.6	0	0	0	0	110.4
59	Q	22.5	Very low	22.8	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	81%	0.814	S	S	*	*			trans	-80.2	138.8	170.3	-82.6	178.2	-7.6	0	0	112.1	Q57	Q57-Q59 PolarHBondContact O-N 3.03Å
60	E	19.2	Very low	22.7	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	81%	0.809	S	S	*	*			trans	-73.9	122.2	-178.2	-165.7	174.3	-157.5	0	0	111.6
61	I	23.2	Very low	22.9	Very low	145 Å²	145	148.3 Å²	148.3	74%	0.744	81%	0.807	S	S	*	*			trans	-102	94.7	176.4	-57.4	175.5	0	0	0	109.1	K63	I61-K63 HydrophobicContact CG2-CG 4.08Å; I61-K63 PolarHBondContact O-N 2.74Å
62	S	21.1	Very low	22.8	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	79%	0.794	S	S	*	*			trans	-75.4	111.9	163.3	-72.7	0	0	0	0	110
63	K	24.9	Very low	23	Very low	189 Å²	189	146.4 Å²	146.4	82%	0.822	79%	0.793	S	S	*	*			trans	-99.3	100.5	169.7	-78.8	-179.6	-179.7	177.3	0	109.8	I61	I61-K63 HydrophobicContact CG2-CG 4.08Å; I61-K63 PolarHBondContact O-N 2.74Å
64	V	23.2	Very low	23.6	Very low	134 Å²	134	147.2 Å²	147.2	81%	0.812	78%	0.784	S	S	*	*			trans	-90	122.8	160.7	177.6	0	0	0	0	108.4
65	S	21.2	Very low	23.5	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	78%	0.781	S	S	*	*			trans	-61.8	132.3	170.6	-45.2	0	0	0	0	111.5
66	Q	25.6	Very low	23.5	Very low	180 Å²	180	153.7 Å²	153.7	84%	0.841	77%	0.771	S	S	*	*			trans	-162.8	113.8	139.5	-110.7	168.4	68	0	0	111.9
67	Q	22.7	Very low	23.2	Very low	168 Å²	168	151 Å²	151	79%	0.785	76%	0.759	S	S	*	*			trans	4.6	129.5	141.7	-63.1	170.5	-14.2	0	0	117
68	Q	24.8	Very low	23.2	Very low	156 Å²	156	148.9 Å²	148.9	73%	0.729	75%	0.748	S	S	*	*				177.7	130.6	104.7	-93.4	173.7	40.9	0	0	111.4
69	Q	23.3	Very low	23.1	Very low	154 Å²	154	148.9 Å²	148.9	72%	0.72	74%	0.735	S	S	*	*			trans	62.1	104.7	136.4	-60.7	-169.9	1.3	0	0	117.9
70	H	22.5	Very low	23.2	Very low	165 Å²	165	147.3 Å²	147.3	76%	0.764	73%	0.728	S	S	*	*				73.6	103.6	95.1	-84.5	-56.7	0	0	0	113.9
71	H	23.5	Very low	23.3	Very low	151 Å²	151	145.9 Å²	145.9	70%	0.699	72%	0.721	S	S	*	*				150.1	134.4	122.1	-88.9	28.1	0	0	0	114.3
72	H	22.5	Very low	23.4	Very low	142 Å²	142	149.8 Å²	149.8	66%	0.657	73%	0.728	S	S	*	*			trans	78.3	100	145.6	-65.5	-37.8	0	0	0	122.4
73	H	24	Very low	23.3	Very low	172 Å²	172	153.6 Å²	153.6	80%	0.796	73%	0.734	S	S	*	*				77.3	152.3	117.4	-85.3	-40.4	0	0	0	120.8
74	P	35.5	Very low	23.3	Very low	97 Å²	97	152 Å²	152	63%	0.63	73%	0.734	S	S	*	*			trans	-119	-164.4	-144.2	36.8	-15.9	0	0	0	111.2
75	Q	20.9	Very low	23.3	Very low	164 Å²	164	152.3 Å²	152.3	77%	0.766	73%	0.731	S	S	*	*			trans	80.9	146.2	173.7	-59	-175.8	-14.5	0	0	113.9
76	Q	20.7	Very low	23.5	Very low	133 Å²	133	155.6 Å²	155.6	62%	0.621	73%	0.734	S	S	*	*			cis	-173.9	153.1	-14	-110.5	176.5	19.6	0	0	102.8
77	Q	21.1	Very low	23.5	Very low	134 Å²	134	153.5 Å²	153.5	63%	0.626	73%	0.734	S	S	*	*			trans	74.9	123.5	139.9	-76.9	177.2	30.2	0	0	121.5
78	Q	21.7	Very low	23.3	Very low	139 Å²	139	148.3 Å²	148.3	65%	0.65	73%	0.725	S	S	*	*			trans	79.9	142.7	132.4	-69	176	27.6	0	0	115.7
79	Q	22	Very low	23.3	Very low	135 Å²	135	149.5 Å²	149.5	63%	0.631	73%	0.731	S	S	*	*			cis	-172.6	151.5	8.4	-111.2	167.7	29	0	0	101.7
80	Q	24.8	Very low	23.4	Very low	142 Å²	142	148.2 Å²	148.2	66%	0.664	74%	0.735	S	S	*	*				173	144.2	56.7	-120.2	159.3	38.6	0	0	106.9
81	E	20	Very low	23.4	Very low	154 Å²	154	149.1 Å²	149.1	72%	0.72	74%	0.74	S	S	*	*			trans	45.4	121.4	140.9	-66	175.4	142.4	0	0	121.3
82	Y	25.5	Very low	23.4	Very low	228 Å²	228	150.7 Å²	150.7	89%	0.894	75%	0.748	S	S	*	*				-169	137.1	105.8	-109.5	-86.8	0	0	0	110.8
83	Q	18.9	Very low	23.4	Very low	184 Å²	184	155.7 Å²	155.7	86%	0.86	76%	0.762	S	S	*	*			trans	-72.3	139.8	-176.9	-69	165.9	-30.5	0	0	113.3
84	L	26.1	Very low	23.2	Very low	157 Å²	157	150.6 Å²	150.6	82%	0.822	76%	0.756	S	S	*	*			trans	-163.9	120.7	133.7	-133.4	93.2	0	0	0	111.7
85	N	23.1	Very low	22.7	Very low	140 Å²	140	153 Å²	153	75%	0.749	76%	0.764	S	S	*	*			trans	56.3	113.8	153.9	-69.3	-22	0	0	0	123.1
86	H	25.1	Very low	22.8	Very low	173 Å²	173	151.4 Å²	151.4	80%	0.801	77%	0.765	S	S	*	*			trans	-18.4	148.7	153.9	-52.2	-73.2	0	0	0	116.7
87	T	24.2	Very low	22.9	Very low	136 Å²	136	152.5 Å²	152.5	83%	0.834	77%	0.77	S	S	*	*			cis	-167.8	140	32.6	-30.8	0	0	0	0	108.1
88	G	19.9	Very low	22.9	Very low	58 Å²	58	156.8 Å²	156.8	60%	0.598	78%	0.782	S	S	*	*			trans	-74.6	152.1	176.8	0	0	0	0	0	114.1
89	H	24.7	Very low	22.9	Very low	182 Å²	182	156.5 Å²	156.5	84%	0.843	78%	0.784	S	S	*	*				-173.8	119.7	121.1	-87.5	-60	0	0	0	108.6
90	P	23.9	Very low	22.9	Very low	126 Å²	126	158.4 Å²	158.4	82%	0.818	80%	0.798	S	S	*	*			trans	-85.6	119.8	169.9	31.9	-25.9	0	0	0	108.6
91	Q	24.5	Very low	22.6	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	79%	0.793	S	S	*	*			trans	-133.2	142.7	164.1	-75.2	-161.7	2.3	0	0	111
92	Q	23.4	Very low	22.8	Very low	185 Å²	185	158.7 Å²	158.7	86%	0.864	80%	0.8	S	S	*	*			trans	-57.8	147.9	-163.5	-69.8	159.4	-41.9	0	0	113.7	G94	Q92-G94 PolarHBondContact O-N 2.77Å
93	Y	21.5	Very low	22.8	Very low	246 Å²	246	156 Å²	156	97%	0.965	80%	0.8	S	S	*	*			trans	-36.8	107	164	-75.9	-95.8	0	0	0	111.9
94	G	20.7	Very low	23	Very low	65 Å²	65	151.4 Å²	151.4	67%	0.67	79%	0.788	S	S	*	*			trans	-106.6	123.5	170.7	0	0	0	0	0	110	Q92 V96	Q92-G94 PolarHBondContact O-N 2.77Å; G94-V96 PolarHBondContact O-N 2.91Å
95	N	23.6	Very low	22.7	Very low	149 Å²	149	151.6 Å²	151.6	80%	0.797	79%	0.79	S	S	*	*			trans	-46.2	129.9	174.2	-79.2	-29	0	0	0	112.6	H97	N95-H97 VanDerWaalsContact C-N 3.34Å; N95-H97 PolarHBondContact O-N 3.31Å
96	V	23.4	Very low	22.7	Very low	130 Å²	130	154.9 Å²	154.9	79%	0.788	79%	0.794	S	S	*	*			trans	-75.4	86.6	172.1	-175.6	0	0	0	0	108.5	G94 Y98	G94-V96 PolarHBondContact O-N 2.91Å; V96-Y98 HydrophobicContact CG1-CD2 4.41Å; V96-Y98 HydrophobicContact CG1-CE2 4.42Å
97	H	22.3	Very low	22.6	Very low	155 Å²	155	152 Å²	152	72%	0.718	79%	0.79	S	S	*	*			trans	-77	114.1	161.7	-88.4	-64.3	0	0	0	108.8	N95 I99	N95-H97 VanDerWaalsContact C-N 3.34Å; N95-H97 PolarHBondContact O-N 3.31Å; H97-I99 PolarHBondContact O-N 2.75Å
98	Y	21.9	Very low	22.5	Very low	224 Å²	224	155.2 Å²	155.2	88%	0.878	79%	0.788	S	S	*	*			trans	-64.9	102.6	162.7	-93.4	-91.7	0	0	0	108.9	V96 N100	V96-Y98 HydrophobicContact CG1-CD2 4.41Å; V96-Y98 HydrophobicContact CG1-CE2 4.42Å; Y98-N100 PolarHBondContact O-N 2.88Å
99	I	21.9	Very low	22.6	Very low	134 Å²	134	158.8 Å²	158.8	69%	0.687	79%	0.794	S	S	*	*			trans	-82.6	103.9	172.2	-64.1	173	0	0	0	107.9	H97 S101	H97-I99 PolarHBondContact O-N 2.75Å; I99-S101 PolarHBondContact O-N 3.43Å
100	N	20.8	Very low	22.5	Very low	175 Å²	175	158.2 Å²	158.2	94%	0.936	79%	0.792	S	S	*	*			trans	-71.9	107.2	155.5	-100.9	-30.9	0	0	0	107.8	Y98	Y98-N100 PolarHBondContact O-N 2.88Å
101	S	19.9	Very low	22.3	Very low	78 Å²	78	162 Å²	162	55%	0.545	79%	0.791	S	S	.	*			trans	-115.9	63.1	-174.4	39.8	0	0	0	0	111.6	I99	I99-S101 PolarHBondContact O-N 3.43Å
102	Y	22.9	Very low	22.1	Very low	223 Å²	223	161.9 Å²	161.9	88%	0.875	80%	0.795	S	S	*	*			trans	-155.1	90.3	159.3	-73.7	-72.1	0	0	0	110.4
103	L	25.4	Very low	22	Very low	171 Å²	171	161 Å²	161	90%	0.895	79%	0.791	S	S	*	*	S	Bend	trans	-174.6	109.6	144.1	-99.6	145.5	0	0	0	111.5
104	S	23.5	Very low	22.1	Very low	88 Å²	88	154.8 Å²	154.8	62%	0.615	78%	0.784	S	S	*	*			trans	60.8	105.6	147.8	57.3	0	0	0	0	120.8	Y106	S104-Y106 PolarHBondContact O-N 3.04Å
105	N	20.6	Very low	22.1	Very low	161 Å²	161	155 Å²	155	86%	0.861	79%	0.786	S	S	*	*			trans	-35.8	118.9	141.9	-83.4	-41.8	0	0	0	113.1
106	Y	22.8	Very low	21.9	Very low	210 Å²	210	155.9 Å²	155.9	82%	0.824	79%	0.791	S	S	*	*			trans	-124.5	114.5	147.8	-92.7	-84.8	0	0	0	107.8	S104	S104-Y106 PolarHBondContact O-N 3.04Å
107	P	23.6	Very low	21.8	Very low	111 Å²	111	155.3 Å²	155.3	72%	0.721	79%	0.791	S	S	*	*			trans	-91.5	104	170.2	32.5	-24.2	0	0	0	108.7
108	Y	21.3	Very low	21.6	Very low	204 Å²	204	155.9 Å²	155.9	80%	0.8	80%	0.799	S	S	*	*			trans	-143.3	110.7	157.8	-113	-90.2	0	0	0	108.8
109	N	22.9	Very low	21.5	Very low	133 Å²	133	152.4 Å²	152.4	71%	0.711	79%	0.794	S	S	*	*			trans	49.2	100.3	154.9	-57.6	-25.5	0	0	0	117.6
110	Q	21.1	Very low	21.4	Very low	171 Å²	171	152.9 Å²	152.9	80%	0.799	80%	0.798	S	S	*	*				43.9	106.9	85.1	-83.5	-170.9	-10.7	0	0	115.6
111	Y	21.5	Very low	21.5	Very low	206 Å²	206	149.7 Å²	149.7	81%	0.808	79%	0.789	S	S	*	*			trans	58.8	104.7	151.1	-69.8	-88.2	0	0	0	119.1
112	L	20.2	Very low	21.5	Very low	180 Å²	180	152.2 Å²	152.2	94%	0.942	80%	0.801	S	S	*	*				-154.5	127.9	117	-105.7	152.5	0	0	0	110.8
113	Q	21.4	Very low	21.7	Very low	168 Å²	168	149.4 Å²	149.4	79%	0.785	80%	0.8	S	S	*	*			trans	-66.5	146.5	-178.6	-136.4	164.1	-7.3	0	0	110.6
114	S	22.3	Very low	21.6	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	79%	0.792	S	S	*	*	S	Bend	trans	-22	126.8	160.9	47.4	0	0	0	0	116.8
115	G	20.2	Very low	22	Very low	70 Å²	70	149 Å²	149	72%	0.722	80%	0.798	S	S	*	*			trans	152.1	106.3	163.6	0	0	0	0	0	114.1
116	D	20.4	Very low	22.1	Very low	166 Å²	166	147.7 Å²	147.7	89%	0.888	79%	0.791	S	S	*	*			trans	38.3	106.8	154.1	-55.4	-27.5	0	0	0	119.9
117	C	20.8	Very low	22.3	Very low	119 Å²	119	146.6 Å²	146.6	80%	0.804	80%	0.795	S	S	*	*			trans	-147.6	103.4	144.6	-150.9	0	0	0	0	111.9
118	L	17.6	Very low	22.4	Very low	167 Å²	167	147.9 Å²	147.9	87%	0.874	80%	0.796	S	S	*	*			trans	-48.3	126.5	149.8	-73.8	153.1	0	0	0	110.2
119	I	21.4	Very low	22.5	Very low	150 Å²	150	144.4 Å²	144.4	77%	0.769	79%	0.792	S	S	*	*			trans	-144.5	110.7	144.8	-58.3	-173.1	0	0	0	109.9
120	N	19.8	Very low	22.6	Very low	145 Å²	145	147.4 Å²	147.4	78%	0.775	80%	0.804	S	S	*	*			trans	-3.9	137.6	148.5	-63.4	-24.9	0	0	0	118.8
121	S	21	Very low	22.7	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	80%	0.802	S	S	*	*				161.9	142.2	86.4	-161.6	0	0	0	0	113
122	T	22	Very low	22.7	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	80%	0.802	S	S	*	*			trans	82	70.6	157.5	6.3	0	0	0	0	118.6
123	I	26.2	Very low	22.7	Very low	165 Å²	165	139.8 Å²	139.8	85%	0.846	79%	0.794	S	S	*	*			trans	-79.1	117.6	151.8	-61.2	173.2	0	0	0	107.1	P125	I123-P125 WeakPolarHBondContact O-CD 3.22Å
124	N	23.2	Very low	22.7	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	79%	0.791	S	S	*	*			trans	-67.3	114.9	175.6	-168.4	-0.4	0	0	0	109.7	N126	N124-N126 PolarHBondContact O-N 2.73Å; N124-N126 VanDerWaalsContact O-N 3.16Å
125	P	31	Very low	22.5	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	79%	0.793	S	S	*	*			trans	-87.7	82.2	-179.4	34.2	-27.9	0	0	0	108.9	I123	I123-P125 WeakPolarHBondContact O-CD 3.22Å
126	N	23.3	Very low	22.6	Very low	133 Å²	133	147.1 Å²	147.1	71%	0.711	80%	0.799	S	S	*	*			trans	-147.1	42.1	165.7	-140.2	11.9	0	0	0	113.4	N124	N124-N126 PolarHBondContact O-N 2.73Å; N124-N126 VanDerWaalsContact O-N 3.16Å
127	M	26.4	Very low	22.7	Very low	187 Å²	187	149 Å²	149	92%	0.921	80%	0.799	S	S	*	*			trans	-117	65.8	162.9	-72.9	-68.5	-142.8	0	0	108
128	N	26.1	Very low	22.9	Very low	138 Å²	138	151.1 Å²	151.1	74%	0.738	80%	0.8	S	S	*	*			trans	-78.9	127.7	162.6	-83.3	-4.5	0	0	0	108.4
129	D	24	Very low	23.2	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	78%	0.783	S	S	*	*			trans	76.1	68.6	150.6	-52.4	-26.7	0	0	0	118.1	T131	D129-T131 VanDerWaalsContact C-N 3.26Å; D129-T131 PolarHBondContact O-N 3.16Å; D129-T131 VanDerWaalsContact O-N 3.14Å
130	M	24.6	Very low	23.4	Very low	196 Å²	196	144.6 Å²	144.6	97%	0.966	78%	0.784	S	S	*	*			trans	-74.1	90.1	142.4	-160	170.1	-143.3	0	0	107.9	M132	M130-M132 PolarHBondContact O-N 3.47Å
131	T	22.5	Very low	23.6	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	79%	0.786	S	S	*	*			trans	-60.2	101.9	179.2	-34	0	0	0	0	110	D129 S133	D129-T131 VanDerWaalsContact C-N 3.26Å; D129-T131 PolarHBondContact O-N 3.16Å; D129-T131 VanDerWaalsContact O-N 3.14Å; T131-S133 PolarHBondContact O-N 3.16Å
132	M	21.6	Very low	23.7	Very low	162 Å²	162	146.9 Å²	146.9	80%	0.798	79%	0.788	S	S	*	*			trans	-63.6	103.6	165.2	-79.4	-82.6	-74.7	0	0	108.4	M130 I134	M130-M132 PolarHBondContact O-N 3.47Å; M132-I134 VanDerWaalsContact C-N 3.26Å; M132-I134 PolarHBondContact O-N 3.46Å
133	S	20.6	Very low	23.8	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	79%	0.786	S	S	*	*			trans	-67.7	87.9	167.1	178.7	0	0	0	0	108.9	T131 M135	T131-S133 PolarHBondContact O-N 3.16Å; S133-M135 PolarHBondContact O-N 2.96Å
134	I	21.3	Very low	23.7	Very low	143 Å²	143	149.9 Å²	149.9	73%	0.733	79%	0.791	S	S	*	*			trans	-75	100.6	162.2	-60.7	173.2	0	0	0	105.4	M132 K136	M132-I134 VanDerWaalsContact C-N 3.26Å; M132-I134 PolarHBondContact O-N 3.46Å; I134-K136 PolarHBondContact O-N 3.11Å
135	M	19.6	Very low	23.6	Very low	172 Å²	172	148.4 Å²	148.4	85%	0.847	79%	0.792	S	S	*	*			trans	-55.3	107.1	166.4	-85.4	-173.8	-75.5	0	0	108.3	S133 K137	S133-M135 PolarHBondContact O-N 2.96Å; M135-K137 PolarHBondContact O-N 3.45Å; M135-K137 VanDerWaalsContact O-N 3.16Å
136	K	21.3	Very low	23.2	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	79%	0.793	S	S	*	*			trans	-53.8	119.6	169.2	-102.7	178.7	174.4	177.7	0	107.9	I134 I138	I134-K136 PolarHBondContact O-N 3.11Å; K136-I138 PolarHBondContact O-N 2.85Å
137	K	22.9	Very low	23.1	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	80%	0.801	S	S	*	*			trans	-53.1	109.4	164.6	-164.1	177.8	-173.7	-178	0	106.7	M135 G139	M135-K137 PolarHBondContact O-N 3.45Å; M135-K137 VanDerWaalsContact O-N 3.16Å; K137-G139 PolarHBondContact O-N 2.77Å
138	I	24.4	Very low	23	Very low	163 Å²	163	149.6 Å²	149.6	84%	0.836	80%	0.797	S	S	*	*			trans	-56.9	112	174.2	-68.3	168.9	0	0	0	105.8	K136	K136-I138 PolarHBondContact O-N 2.85Å
139	G	24.4	Very low	22.7	Very low	49 Å²	49	152.4 Å²	152.4	51%	0.505	81%	0.806	S	S	.	*			trans	-63.1	149.7	172.7	0	0	0	0	0	109.4	K137 D141	K137-G139 PolarHBondContact O-N 2.77Å; G139-D141 PolarHBondContact O-N 3.1Å
140	T	25.5	Very low	22.7	Very low	131 Å²	131	152.6 Å²	152.6	80%	0.804	81%	0.805	S	S	*	*			trans	-56	96.1	169.7	43.8	0	0	0	0	110.7	N142	T140-N142 PolarHBondContact O-N 3.17Å
141	D	24.7	Very low	22.6	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	79%	0.794	S	S	*	*			trans	-88.5	100.8	162.3	-73.5	-26.8	0	0	0	108.2	G139 D143	G139-D141 PolarHBondContact O-N 3.1Å; D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 VanDerWaalsContact O-N 3.12Å
142	N	23.2	Very low	22.6	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	80%	0.799	S	S	*	*			trans	-60.7	97.2	159.3	-73.6	-33.6	0	0	0	108.4	T140	T140-N142 PolarHBondContact O-N 3.17Å
143	D	22.9	Very low	22.6	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	80%	0.797	S	S	*	*			trans	-143.4	71.7	158.2	-88.1	-33.4	0	0	0	108.5	D141	D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 VanDerWaalsContact O-N 3.12Å
144	F	25	Very low	22.7	Very low	216 Å²	216	152.7 Å²	152.7	95%	0.947	80%	0.799	S	S	*	*			trans	-164	88.5	143	-101.9	-71.5	0	0	0	107.8
145	S	20.4	Very low	22.7	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	81%	0.805	S	S	*	*			trans	-72.7	141.2	162.9	-61.4	0	0	0	0	109.8
146	S	22.8	Very low	22.7	Very low	111 Å²	111	150.8 Å²	150.8	78%	0.776	80%	0.8	S	S	*	*			trans	55.6	80.5	142.4	61.1	0	0	0	0	119.1
147	E	21.5	Very low	22.8	Very low	188 Å²	188	146.9 Å²	146.9	88%	0.879	80%	0.797	S	S	*	*	S	Bend	trans	-153.6	133.5	136.3	-116.4	172.6	-175.6	0	0	107.1
148	L	23.8	Very low	22.8	Very low	159 Å²	159	141.7 Å²	141.7	83%	0.832	79%	0.787	S	S	*	*			trans	89.4	55.6	-171.9	-55.1	158.2	0	0	0	116.1	I150	L148-I150 HydrophobicContact CD2-CD1 4.39Å
149	Q	19.7	Very low	22.8	Very low	198 Å²	198	143.1 Å²	143.1	93%	0.925	79%	0.789	S	S	*	*			trans	-78.9	104.2	135.5	-89.8	172.8	-4.9	0	0	108.4
150	I	25.2	Very low	22.8	Very low	135 Å²	135	146.1 Å²	146.1	69%	0.692	80%	0.803	S	S	*	*			trans	-123.3	135.4	152.8	-61.3	-179.7	0	0	0	106.8	L148	L148-I150 HydrophobicContact CD2-CD1 4.39Å
151	P	21.5	Very low	22.7	Very low	111 Å²	111	148.7 Å²	148.7	72%	0.721	80%	0.803	S	S	*	*			trans	-73.4	136.9	-156.7	-13.9	30	0	0	0	113	N153	P151-N153 PolarHBondContact O-N 2.78Å
152	I	21.7	Very low	22.7	Very low	172 Å²	172	147.1 Å²	147.1	88%	0.882	80%	0.8	S	S	*	*			trans	-65.4	95.9	166.2	-61.2	166.4	0	0	0	107.5
153	N	22.2	Very low	22.8	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	80%	0.798	S	S	*	*			trans	-120.9	118	160.6	-96.6	-17.5	0	0	0	109	P151	P151-N153 PolarHBondContact O-N 2.78Å
154	Q	22.1	Very low	22.8	Very low	171 Å²	171	148 Å²	148	80%	0.799	80%	0.801	S	S	*	*			trans	70.5	95.6	154.4	-57	-171.5	-7.6	0	0	118.9	S156	Q154-S156 PolarHBondContact O-N 2.98Å
155	I	21.3	Very low	22.9	Very low	167 Å²	167	142.5 Å²	142.5	86%	0.856	78%	0.782	S	S	*	*				16.8	102.8	119.9	-51.4	167.1	0	0	0	114.7
156	S	21.2	Very low	23.4	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	78%	0.782	S	S	*	*				170.9	135.7	122.8	39.4	0	0	0	0	112.7	Q154	Q154-S156 PolarHBondContact O-N 2.98Å
157	S	22	Very low	23.9	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	77%	0.774	S	S	*	*	S	Bend	trans	71.8	120	164.1	68.3	0	0	0	0	120
158	S	23	Very low	24.6	Very low	97 Å²	97	141 Å²	141	68%	0.678	76%	0.763	S	S	*	*			trans	53.6	92.9	155.4	61	0	0	0	0	118.6
159	H	24.7	Very low	25.2	Very low	193 Å²	193	143.5 Å²	143.5	89%	0.894	76%	0.761	S	S	*	*				-157.6	88.3	125.5	-90.4	-53.4	0	0	0	108.7	K161	H159-K161 PolarHBondContact O-N 2.74Å
160	S	24.3	Very low	26.3	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	74%	0.741	S	S	*	*			trans	-54	124.9	162.1	35	0	0	0	0	109.5
161	K	23.6	Very low	27	Very low	185 Å²	185	135.4 Å²	135.4	80%	0.804	73%	0.729	S	S	*	*			trans	-53.3	130.8	161.2	-76.8	175.7	175.4	176.7	0	107.9	H159 T163	H159-K161 PolarHBondContact O-N 2.74Å; K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 2.72Å
162	P	23.7	Very low	27.9	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	73%	0.728	S	S	*	*			trans	-71.8	90.6	176.3	29	-30.7	0	0	0	108.1	F164	P162-F164 PolarHBondContact O-N 2.82Å
163	T	25.7	Very low	29	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	71%	0.708	S	S	*	*			trans	-62.8	103.8	164	-9.6	0	0	0	0	106.9	K161 N165	K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 2.72Å; T163-N165 PolarHBondContact O-N 3.17Å
164	F	23.5	Very low	29.9	Very low	189 Å²	189	131.9 Å²	131.9	83%	0.829	70%	0.695	S	S	*	*			trans	-51.3	102.8	173.6	-109.3	-102	0	0	0	109.7	P162 F166	P162-F164 PolarHBondContact O-N 2.82Å; F164-F166 HydrophobicContact CD1-CD2 4.2Å; F164-F166 HydrophobicContact CE1-CD2 4.46Å
165	N	27.2	Very low	31	Very low	100 Å²	100	127 Å²	127	54%	0.535	67%	0.672	S	S	.	*			trans	-109.1	50.6	-170.7	-137.5	-7.4	0	0	0	110.6	T163 G167	T163-N165 PolarHBondContact O-N 3.17Å; N165-G167 VanDerWaalsContact C-N 3.35Å
166	F	30.1	Very low	32.1	Very low	169 Å²	169	125.7 Å²	125.7	74%	0.741	66%	0.66	S	S	*	*	H	α-helix	trans	-77.7	-18.7	174.4	-98	-80.2	0	0	0	113.1	F164	F164-F166 HydrophobicContact CD1-CD2 4.2Å; F164-F166 HydrophobicContact CE1-CD2 4.46Å
167	G	33.3	Very low	33.2	Very low	60 Å²	60	125.9 Å²	125.9	62%	0.619	65%	0.649	S	S	*	*	H	α-helix	trans	-71.9	-34.1	-176.6	0	0	0	0	0	115.1	N165	N165-G167 VanDerWaalsContact C-N 3.35Å
168	K	37.7	Very low	34.5	Very low	145 Å²	145	124.7 Å²	124.7	63%	0.63	63%	0.634	S	S	*	*	H	α-helix	trans	-82.1	-37.7	-173.9	-69.4	-174.1	178.5	-173.9	0	113.5	F172	K168-F172 WeakPolarHBondContact O-CD2 3.36Å; K168-F172 PolarHBondContact O-N 2.78Å; K168-F172 VanDerWaalsContact O-N 3.09Å
169	R	35.5	Very low	35.2	Very low	210 Å²	210	123.8 Å²	123.8	79%	0.792	62%	0.621	S	S	*	*	H	α-helix	trans	-71.1	-40.3	-176.8	-76.1	-174.4	176.7	-174.2	-0.6	112.7	F172 H173	R169-F172 PolarHBondContact O-N 3.13Å; R169-H173 PolarHBondContact O-N 3.14Å
170	Q	42.4	Very low	36.1	Very low	108 Å²	108	118.6 Å²	118.6	51%	0.505	60%	0.599	S	S	.	*	H	α-helix	trans	-66.5	-44	176.7	-169.7	62.9	40.9	0	0	111.3	F172 H173 D174	Q170-F172 VanDerWaalsContact C-N 3.3Å; Q170-F172 PolarHBondContact O-N 2.88Å; Q170-H173 PolarHBondContact O-N 2.85Å; Q170-H173 VanDerWaalsContact O-N 3.11Å; Q170-D174 PolarHBondContact NE2-OD1 3.14Å; Q170-D174 WeakPolarHBondContact O-CB 3.41Å; Q170-D174 PolarHBondContact O-N 3.4Å
171	A	40.6	Very low	37	Very low	55 Å²	55	117.8 Å²	117.8	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-60.2	-39.2	176.3	0	0	0	0	0	112.4	F175	A171-F175 WeakPolarHBondContact O-CB 3.29Å; A171-F175 PolarHBondContact O-N 3.06Å
172	F	41	Very low	37.7	Very low	158 Å²	158	111.2 Å²	111.2	69%	0.693	56%	0.559	S	S	*	*	H	α-helix	trans	-67.5	-38	173.7	-101.8	-86.6	0	0	0	112.9	K168 R169 Q170 F175 K176	K168-F172 WeakPolarHBondContact O-CD2 3.36Å; K168-F172 PolarHBondContact O-N 2.78Å; K168-F172 VanDerWaalsContact O-N 3.09Å; R169-F172 PolarHBondContact O-N 3.13Å; Q170-F172 VanDerWaalsContact C-N 3.3Å; Q170-F172 PolarHBondContact O-N 2.88Å; F172-F175 PolarHBondContact O-N 3.42Å; F172-K176 WeakPolarHBondContact O-CB 3.23Å; F172-K176 PolarHBondContact O-N 3.06Å
173	H	43.4	Very low	38	Very low	102 Å²	102	115 Å²	115	47%	0.472	56%	0.56	S	S	.	*	H	α-helix	trans	-67.1	-46.5	176.3	-165.8	-72	0	0	0	111.3	R169 Q170 F175 K176 E177	R169-H173 PolarHBondContact O-N 3.14Å; Q170-H173 PolarHBondContact O-N 2.85Å; Q170-H173 VanDerWaalsContact O-N 3.11Å; H173-F175 VanDerWaalsContact C-N 3.26Å; H173-F175 PolarHBondContact O-N 3.26Å; H173-K176 PolarHBondContact O-N 3.28Å; H173-E177 IonicContact CE1-OE1 3.99Å; H173-E177 PolarHBondContact O-N 3.14Å
174	D	42.5	Very low	38.6	Very low	91 Å²	91	116 Å²	116	49%	0.487	56%	0.556	S	S	.	*	H	α-helix	trans	-60.5	-37.2	175.6	-64.6	-12.1	0	0	0	111.2	Q170 L178	Q170-D174 PolarHBondContact NE2-OD1 3.14Å; Q170-D174 WeakPolarHBondContact O-CB 3.41Å; Q170-D174 PolarHBondContact O-N 3.4Å; D174-L178 WeakPolarHBondContact O-CB 3.46Å; D174-L178 PolarHBondContact O-N 2.62Å
175	F	44.2	Very low	39.1	Very low	68 Å²	68	113.4 Å²	113.4	30%	0.298	55%	0.55	S	S	.	*	H	α-helix	trans	-71	-38.2	175.3	-176.6	-106.2	0	0	0	113	A171 F172 H173 E177 L178 L179 L729	A171-F175 WeakPolarHBondContact O-CB 3.29Å; A171-F175 PolarHBondContact O-N 3.06Å; F172-F175 PolarHBondContact O-N 3.42Å; H173-F175 VanDerWaalsContact C-N 3.26Å; H173-F175 PolarHBondContact O-N 3.26Å; F175-E177 VanDerWaalsContact C-N 3.34Å; F175-L178 PolarHBondContact O-N 3.33Å; F175-L179 HydrophobicContact CD1-CD1 3.86Å; F175-L179 HydrophobicContact CD1-CG 4.39Å; F175-L179 HydrophobicContact CE1-CD1 3.28Å; F175-L179 HydrophobicContact CE1-CG 3.96Å; F175-L179 HydrophobicContact CE2-CG 4.39Å; F175-L179 HydrophobicContact CZ-CD1 3.68Å; F175-L179 HydrophobicContact CZ-CD2 4.29Å; F175-L179 HydrophobicContact CZ-CG 3.95Å; F175-L179 PolarHBondContact O-N 2.8Å; F175-L729 HydrophobicContact CD2-CD2 4.49Å; F175-L729 HydrophobicContact CE2-CD1 3.71Å; F175-L729 HydrophobicContact CE2-CD2 3.76Å; F175-L729 HydrophobicContact CE2-CG 4.41Å; F175-L729 HydrophobicContact CZ-CD1 4.23Å; F175-L729 HydrophobicContact CZ-CD2 4.37Å
176	K	45.2	Very low	39.2	Very low	141 Å²	141	113.7 Å²	113.7	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-41.3	175.8	-171	-179.2	178.4	-174.7	0	110.9	F172 H173 L179 L180	F172-K176 WeakPolarHBondContact O-CB 3.23Å; F172-K176 PolarHBondContact O-N 3.06Å; H173-K176 PolarHBondContact O-N 3.28Å; K176-L179 PolarHBondContact O-N 2.85Å; K176-L180 HydrophobicContact CG-CD1 4.33Å; K176-L180 WeakPolarHBondContact O-CG 3.47Å; K176-L180 PolarHBondContact O-N 2.97Å
177	E	43.8	Very low	39.2	Very low	111 Å²	111	113.3 Å²	113.3	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-42.7	172.8	-70.5	-143.8	154.4	0	0	112	H173 F175 L179 L180 D181	H173-E177 IonicContact CE1-OE1 3.99Å; H173-E177 PolarHBondContact O-N 3.14Å; F175-E177 VanDerWaalsContact C-N 3.34Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.04Å; E177-L180 PolarHBondContact O-N 3.2Å; E177-D181 WeakPolarHBondContact O-CB 3.33Å; E177-D181 PolarHBondContact O-N 3.12Å
178	L	49.4	Very low	38.8	Very low	85 Å²	85	113.3 Å²	113.3	45%	0.445	55%	0.554	S	S	.	*	H	α-helix	trans	-59	-40.5	176	-175.2	70.2	0	0	0	112.4	D174 F175 I182	D174-L178 WeakPolarHBondContact O-CB 3.46Å; D174-L178 PolarHBondContact O-N 2.62Å; F175-L178 PolarHBondContact O-N 3.33Å; L178-I182 HydrophobicContact CG-CD1 4.13Å; L178-I182 WeakPolarHBondContact O-CD1 3.2Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.34Å; L178-I182 PolarHBondContact O-N 2.82Å; L178-I182 VanDerWaalsContact O-N 3.1Å
179	L	38.1	Very low	38.2	Very low	77 Å²	77	111.3 Å²	111.3	40%	0.403	56%	0.558	S	S	.	*	H	α-helix	trans	-69.6	-39.8	177	-79.4	177.1	0	0	0	112.6	F175 K176 E177 D181 I182 Y183	F175-L179 HydrophobicContact CD1-CD1 3.86Å; F175-L179 HydrophobicContact CD1-CG 4.39Å; F175-L179 HydrophobicContact CE1-CD1 3.28Å; F175-L179 HydrophobicContact CE1-CG 3.96Å; F175-L179 HydrophobicContact CE2-CG 4.39Å; F175-L179 HydrophobicContact CZ-CD1 3.68Å; F175-L179 HydrophobicContact CZ-CD2 4.29Å; F175-L179 HydrophobicContact CZ-CG 3.95Å; F175-L179 PolarHBondContact O-N 2.8Å; K176-L179 PolarHBondContact O-N 2.85Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.04Å; L179-D181 VanDerWaalsContact C-N 3.35Å; L179-I182 PolarHBondContact O-N 2.75Å; L179-Y183 WeakPolarHBondContact O-CB 3.4Å; L179-Y183 PolarHBondContact O-N 3.05Å
180	L	43.8	Very low	37.6	Very low	85 Å²	85	110.2 Å²	110.2	45%	0.445	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-42.1	175.2	-74.8	165.3	0	0	0	111	K176 E177 I182 Y183 H184	K176-L180 HydrophobicContact CG-CD1 4.33Å; K176-L180 WeakPolarHBondContact O-CG 3.47Å; K176-L180 PolarHBondContact O-N 2.97Å; E177-L180 PolarHBondContact O-N 3.2Å; L180-I182 PolarHBondContact O-N 3.31Å; L180-Y183 PolarHBondContact O-N 2.9Å; L180-H184 PolarHBondContact O-CD2 2.79Å; L180-H184 PolarHBondContact O-N 2.8Å; L180-H184 VanDerWaalsContact O-N 3.08Å
181	D	42.9	Very low	36.7	Very low	94 Å²	94	113 Å²	113	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-42.8	175.4	-81.4	-5.8	0	0	0	111.9	E177 L179 Y183 H184 D185	E177-D181 WeakPolarHBondContact O-CB 3.33Å; E177-D181 PolarHBondContact O-N 3.12Å; L179-D181 VanDerWaalsContact C-N 3.35Å; D181-Y183 VanDerWaalsContact C-N 3.35Å; D181-Y183 PolarHBondContact O-N 3.38Å; D181-H184 PolarHBondContact O-N 2.75Å; D181-D185 PolarHBondContact O-N 2.82Å
182	I	38.7	Very low	35.9	Very low	47 Å²	47	117 Å²	117	24%	0.241	59%	0.59	C	S	.	*	H	α-helix	trans	-67.6	-35.7	178	-66.5	164.5	0	0	0	111.5	L178 L179 L180 I722 I725	L178-I182 HydrophobicContact CG-CD1 4.13Å; L178-I182 WeakPolarHBondContact O-CD1 3.2Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.34Å; L178-I182 PolarHBondContact O-N 2.82Å; L178-I182 VanDerWaalsContact O-N 3.1Å; L179-I182 PolarHBondContact O-N 2.75Å; L180-I182 PolarHBondContact O-N 3.31Å; I182-I722 HydrophobicContact CG2-CD1 4.08Å; I182-I722 HydrophobicContact CG2-CG1 4.09Å; I182-I725 HydrophobicContact CD1-CD1 4.42Å
183	Y	29.3	Very low	35	Very low	197 Å²	197	118.6 Å²	118.6	77%	0.773	60%	0.597	S	S	*	*	H	α-helix	trans	-75.8	-25.9	-178.2	-138.6	-89.2	0	0	0	113	L179 L180 D181	L179-Y183 WeakPolarHBondContact O-CB 3.4Å; L179-Y183 PolarHBondContact O-N 3.05Å; L180-Y183 PolarHBondContact O-N 2.9Å; D181-Y183 VanDerWaalsContact C-N 3.35Å; D181-Y183 PolarHBondContact O-N 3.38Å
184	H	38.1	Very low	34.1	Very low	145 Å²	145	120.5 Å²	120.5	67%	0.671	61%	0.611	S	S	*	*	H	α-helix	trans	-89.9	-14.5	-179.5	-74.1	-59.2	0	0	0	114.4	L180 D181	L180-H184 PolarHBondContact O-CD2 2.79Å; L180-H184 PolarHBondContact O-N 2.8Å; L180-H184 VanDerWaalsContact O-N 3.08Å; D181-H184 PolarHBondContact O-N 2.75Å
185	D	33.4	Very low	33.1	Very low	134 Å²	134	124.6 Å²	124.6	72%	0.717	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-82.8	-8.2	179.8	-125	7.4	0	0	0	114.3	D181	D181-D185 PolarHBondContact O-N 2.82Å
186	E	30.7	Very low	32.2	Very low	106 Å²	106	128.7 Å²	128.7	50%	0.495	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-96.6	3.3	-176.8	-74.6	-152.7	174.2	0	0	116.1	S719	E186-S719 PolarHBondContact OE1-OG 3.43Å
187	N	28.3	Very low	31.1	Very low	161 Å²	161	128.2 Å²	128.2	86%	0.861	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-94.3	5.7	173	-79.4	-9.4	0	0	0	114.6
188	G	26.4	Very low	29.9	Very low	60 Å²	60	130.1 Å²	130.1	62%	0.619	67%	0.668	S	S	*	*	S	Bend	trans	-91.6	101.6	165.9	0	0	0	0	0	111.1
189	S	24.8	Very low	28.6	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	68%	0.68	S	S	*	*			trans	73.6	85.4	161	174.7	0	0	0	0	118
190	F	23	Very low	27.7	Very low	186 Å²	186	134.9 Å²	134.9	82%	0.816	70%	0.702	S	S	*	*			trans	-137.8	70.4	139	-80.6	-80.3	0	0	0	109.5
191	I	23	Very low	26.6	Very low	168 Å²	168	134.3 Å²	134.3	86%	0.862	72%	0.717	S	S	*	*			trans	-105.5	83.4	153.2	-58.2	178.4	0	0	0	104.8
192	N	24.1	Very low	25.7	Very low	139 Å²	139	135 Å²	135	74%	0.743	73%	0.729	S	S	*	*			trans	-70.7	130.9	167	-131.2	-13.1	0	0	0	107.1	D194	N192-D194 PolarHBondContact O-N 2.79Å
193	K	21.7	Very low	24.8	Very low	190 Å²	190	141.8 Å²	141.8	83%	0.826	76%	0.759	S	S	*	*			trans	-61.2	117.4	174.4	-68.9	172.3	173.6	176	0	109
194	D	24.6	Very low	24.4	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	76%	0.762	S	S	*	*			trans	-127	103.7	147.3	-74.4	-41.2	0	0	0	104.1	N192	N192-D194 PolarHBondContact O-N 2.79Å
195	Q	22.1	Very low	23.6	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	77%	0.767	S	S	*	*				52.4	99.1	104.8	-80.7	-165.5	-19.1	0	0	111.4
196	D	25.4	Very low	22.9	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	77%	0.774	S	S	*	*			trans	-158.5	111.8	142.9	-86.9	-29	0	0	0	109
197	D	22.2	Very low	22.4	Very low	132 Å²	132	146.8 Å²	146.8	71%	0.706	79%	0.79	S	S	*	*			trans	55.3	108.5	143.1	-62	-22	0	0	0	120.7
198	I	19.2	Very low	21.9	Very low	150 Å²	150	144 Å²	144	77%	0.769	78%	0.783	S	S	*	*				57.5	99.7	86.5	-57.1	167	0	0	0	112.5
199	S	20.5	Very low	21.6	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	79%	0.79	S	S	*	*				158.5	130.7	115.5	53.9	0	0	0	0	114.3
200	N	20.1	Very low	21.5	Very low	162 Å²	162	149.4 Å²	149.4	87%	0.866	80%	0.796	S	S	*	*			trans	61.9	107.5	139.8	-62.4	-14.6	0	0	0	121.3
201	G	20.2	Very low	21.2	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	80%	0.795	S	S	*	*				104.6	108	109.9	0	0	0	0	0	117
202	S	23.9	Very low	21	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	79%	0.789	S	S	*	*				-177.6	127.3	115.3	40.8	0	0	0	0	110.6
203	Q	19	Very low	20.8	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	80%	0.796	S	S	*	*			trans	-67.3	127.2	168.7	-67.6	160.5	-30.4	0	0	109.1
204	Y	21.9	Very low	20.8	Very low	209 Å²	209	140.1 Å²	140.1	82%	0.82	79%	0.794	S	S	*	*			trans	-130	140	150.5	-81.3	-78.3	0	0	0	109.2
205	P	21.1	Very low	20.5	Very low	119 Å²	119	137.9 Å²	137.9	77%	0.773	79%	0.789	S	S	*	*			trans	-81.5	146.5	-157.5	31.9	-34.3	0	0	0	112.9
206	R	19.2	Very low	20.5	Very low	231 Å²	231	137.3 Å²	137.3	87%	0.872	79%	0.792	S	S	*	*			trans	-63.6	125.1	173.8	-169.2	177.3	-172.3	162.9	1.7	110.5	S208	R206-S208 PolarHBondContact O-N 2.88Å
207	P	19.2	Very low	20.1	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	79%	0.789	S	S	*	*			trans	-72.4	114.9	169.3	15.6	-9.3	0	0	0	109.4
208	S	18.9	Very low	20.2	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	79%	0.791	S	S	*	*			trans	-90.8	146.7	170.1	48.5	0	0	0	0	111.1	R206	R206-S208 PolarHBondContact O-N 2.88Å
209	S	20.1	Very low	20.2	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	79%	0.788	S	S	*	*			trans	71.7	115.8	172.2	76.7	0	0	0	0	114.2
210	I	21.3	Very low	20.1	Very low	168 Å²	168	134.6 Å²	134.6	86%	0.862	79%	0.791	S	S	*	*				-127.9	114.1	72.9	-68	157.1	0	0	0	110.8
211	V	16.9	Very low	20.2	Very low	130 Å²	130	134.5 Å²	134.5	79%	0.788	79%	0.789	S	S	*	*			trans	-120.5	134.3	160	175.9	0	0	0	0	105.8
212	S	19.2	Very low	20.2	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	79%	0.792	S	S	*	*			trans	95.5	105.3	169.2	-34	0	0	0	0	117.2
213	S	20.8	Very low	19.9	Very low	127 Å²	127	141.3 Å²	141.3	89%	0.888	79%	0.794	S	S	*	*				-151	139.4	114.8	35.4	0	0	0	0	110.4
214	T	20.2	Very low	20	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	79%	0.789	S	S	*	*			trans	-80	158.5	-164.8	27.1	0	0	0	0	114.6
215	S	19.7	Very low	19.9	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	79%	0.793	S	S	*	*			trans	64.6	117	139.9	62	0	0	0	0	119.8
216	N	21.8	Very low	19.9	Very low	165 Å²	165	138.4 Å²	138.4	88%	0.882	80%	0.795	S	S	*	*				-145.8	106.1	124.6	-92.3	-23.5	0	0	0	109.8
217	S	16.9	Very low	20	Very low	110 Å²	110	132 Å²	132	77%	0.769	79%	0.791	S	S	*	*			trans	-104.8	110.5	160.5	55.8	0	0	0	0	107.8
218	I	23.7	Very low	19.9	Very low	146 Å²	146	132.7 Å²	132.7	75%	0.749	79%	0.787	S	S	*	*			trans	-140.1	97.7	163.3	-62.1	-175.7	0	0	0	108.2
219	T	20.5	Very low	20.1	Very low	113 Å²	113	138.7 Å²	138.7	69%	0.693	80%	0.796	S	S	*	*			trans	30.9	118.4	133.4	30.2	0	0	0	0	121.1
220	S	18.2	Very low	20.2	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	79%	0.79	S	S	*	*				23.6	111.2	123.4	60.8	0	0	0	0	118.8
221	I	21.4	Very low	20.4	Very low	159 Å²	159	142.1 Å²	142.1	82%	0.815	79%	0.792	S	S	*	*			trans	-137.4	115.6	149.7	-63.5	-176.1	0	0	0	110.2
222	N	20.1	Very low	20.6	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	79%	0.786	S	S	*	*			trans	62.2	108.1	153.9	-77.4	-19.2	0	0	0	123.5
223	Q	18.6	Very low	20.9	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	79%	0.787	S	S	*	*			trans	-62.5	149	139.1	-68.8	173.4	-31.9	0	0	112.1
224	N	19.7	Very low	21.1	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	79%	0.79	S	S	*	*			trans	64.8	105.1	156	-63.7	-16.5	0	0	0	119.5
225	Q	20.9	Very low	21.3	Very low	196 Å²	196	145.2 Å²	145.2	92%	0.916	79%	0.787	S	S	*	*				-170.2	135.3	121.4	-102.1	169.7	32.3	0	0	112.6
226	S	20.2	Very low	21.7	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	80%	0.796	S	S	*	*			trans	-61.2	142	170.7	43.1	0	0	0	0	115
227	A	21.4	Very low	21.8	Very low	95 Å²	95	153.7 Å²	153.7	79%	0.785	80%	0.8	S	S	*	*			trans	-161.9	129.3	146.2	0	0	0	0	0	112
228	L	18.4	Very low	22.2	Very low	144 Å²	144	155.5 Å²	155.5	75%	0.754	80%	0.799	S	S	*	*			trans	-44.5	144	166.2	-94.5	76.8	0	0	0	113.4
229	Y	22.7	Very low	22.2	Very low	227 Å²	227	155.5 Å²	155.5	89%	0.89	80%	0.801	S	S	*	*			trans	-132.5	112.1	142	-102.1	-85	0	0	0	110.4
230	N	21	Very low	22.5	Very low	122 Å²	122	155.1 Å²	155.1	65%	0.652	80%	0.8	S	S	*	*			trans	-65.1	137	165.4	-94.4	-29.8	0	0	0	110.5
231	Y	26.9	Very low	22.8	Very low	228 Å²	228	155.2 Å²	155.2	89%	0.894	80%	0.796	S	S	*	*			trans	-132.5	92.2	147.8	-110	-89	0	0	0	108.2
232	S	20.4	Very low	23.1	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	80%	0.8	S	S	*	*			trans	-102.8	123.6	152.8	-62.1	0	0	0	0	106.6
233	N	24.9	Very low	23.3	Very low	143 Å²	143	160.5 Å²	160.5	77%	0.765	81%	0.806	S	S	*	*			trans	162	94.9	142.3	-83.3	-18.8	0	0	0	110
234	D	27	Very low	23.4	Very low	174 Å²	174	162.1 Å²	162.1	93%	0.93	81%	0.805	S	S	*	*			trans	-143.4	70.5	149.8	-100.5	-26.5	0	0	0	108
235	I	23.6	Very low	23.7	Very low	142 Å²	142	163.8 Å²	163.8	73%	0.728	81%	0.807	S	S	*	*			trans	-109.4	93.9	164.4	-61	173.3	0	0	0	105.4
236	H	28	Very low	23.9	Very low	184 Å²	184	162.8 Å²	162.8	85%	0.852	80%	0.8	S	S	*	*			trans	-170.2	81.6	153.8	-86.6	-54.8	0	0	0	110.2
237	R	24.6	Very low	23.9	Very low	254 Å²	254	164.2 Å²	164.2	96%	0.958	79%	0.794	S	S	*	*			trans	-157	84.5	147.2	-110.6	174.5	-173.2	-166.1	1.6	108.8
238	I	25.1	Very low	23.8	Very low	147 Å²	147	167.3 Å²	167.3	75%	0.754	80%	0.797	S	S	*	*			trans	-86	125.1	163.6	-65.5	169.4	0	0	0	106.1	P240	I238-P240 HydrophobicContact CG2-CB 4Å; I238-P240 HydrophobicContact CG2-CG 4.32Å
239	D	22.4	Very low	24.2	Very low	147 Å²	147	165.7 Å²	165.7	79%	0.786	80%	0.795	S	S	*	*			trans	-105.7	105.7	161.5	-153.8	-7	0	0	0	107.9	T241	D239-T241 PolarHBondContact O-N 2.89Å
240	P	27.4	Very low	24.1	Very low	104 Å²	104	161.5 Å²	161.5	68%	0.675	79%	0.793	S	S	*	*			trans	-99.6	73.6	-170.2	37	-29.8	0	0	0	111.3	I238	I238-P240 HydrophobicContact CG2-CB 4Å; I238-P240 HydrophobicContact CG2-CG 4.32Å
241	T	23.5	Very low	24.2	Very low	113 Å²	113	161.2 Å²	161.2	69%	0.693	80%	0.801	S	S	*	*			trans	-142.1	78	165.9	53.8	0	0	0	0	111.8	D239	D239-T241 PolarHBondContact O-N 2.89Å
242	L	29.3	Very low	23.9	Very low	169 Å²	169	159.9 Å²	159.9	89%	0.885	80%	0.8	S	S	*	*			trans	-168.7	62.8	141.3	-127.8	74.9	0	0	0	111.9
243	R	22.6	Very low	24	Very low	253 Å²	253	164.7 Å²	164.7	96%	0.955	81%	0.811	S	S	*	*			trans	-88.3	92.9	152	-91.7	-170.6	175.6	-176.4	0.8	108.1
244	R	22.3	Very low	23.9	Very low	207 Å²	207	164.7 Å²	164.7	78%	0.781	81%	0.812	S	S	*	*			trans	-175.9	106.8	158.4	-97.1	-167	-74.5	-174.6	0.9	102.8
245	H	26.2	Very low	23.7	Very low	180 Å²	180	161.9 Å²	161.9	83%	0.833	81%	0.806	S	S	*	*				-152.5	135.9	58.8	-79.1	-93.9	0	0	0	110.5
246	K	23.3	Very low	23.6	Very low	175 Å²	175	159.5 Å²	159.5	76%	0.761	81%	0.807	S	S	*	*			trans	-89	141	164.3	-100.5	178.8	155.7	-130.1	0	109
247	E	20.8	Very low	23.4	Very low	146 Å²	146	157.9 Å²	157.9	68%	0.682	80%	0.804	S	S	*	*			trans	80.4	111.6	142.2	-67.4	163.7	-155.5	0	0	120.5
248	L	20.5	Very low	23.3	Very low	160 Å²	160	153.2 Å²	153.2	84%	0.838	79%	0.792	S	S	*	*			trans	71.6	157.6	144.6	-99.9	74.4	0	0	0	120.8
249	P	26.4	Very low	23.3	Very low	109 Å²	109	153.7 Å²	153.7	71%	0.708	80%	0.796	S	S	*	*			cis	-129.3	160	4.3	35.4	-15.6	0	0	0	117.6
250	T	20	Very low	23.3	Very low	139 Å²	139	153.3 Å²	153.3	85%	0.853	80%	0.795	S	S	*	*			trans	-65.2	123.5	166	45.5	0	0	0	0	112.2
251	S	23	Very low	23.3	Very low	117 Å²	117	154.9 Å²	154.9	82%	0.818	80%	0.803	S	S	*	*			trans	-131.3	121.2	152.6	54	0	0	0	0	109.5
252	K	20.7	Very low	23.4	Very low	200 Å²	200	157.7 Å²	157.7	87%	0.87	81%	0.808	S	S	*	*			trans	-74.3	123.9	161.9	-78.4	174.9	171.9	177.3	0	107.1
253	E	23.4	Very low	23.2	Very low	195 Å²	195	156.9 Å²	156.9	91%	0.911	80%	0.804	S	S	*	*			trans	-140.8	135.4	147.7	-103.8	177.7	-175.6	0	0	109.2
254	N	21.7	Very low	23.2	Very low	144 Å²	144	154.8 Å²	154.8	77%	0.77	80%	0.802	S	S	*	*			trans	-83.6	160.2	-165.5	-70.2	-42.8	0	0	0	112.6
255	S	22.6	Very low	23.4	Very low	115 Å²	115	152.4 Å²	152.4	80%	0.804	80%	0.804	S	S	*	*			trans	71.5	129.9	133.8	62.3	0	0	0	0	120.8
256	A	22.2	Very low	23.2	Very low	92 Å²	92	150.5 Å²	150.5	76%	0.76	80%	0.8	S	S	*	*			trans	110.8	117.3	170	0	0	0	0	0	109.5
257	L	23.7	Very low	23.2	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	80%	0.801	S	S	*	*			cis	-170.2	145.9	32	-147.8	95.4	0	0	0	108.3
258	H	23.4	Very low	23.3	Very low	155 Å²	155	150.6 Å²	150.6	72%	0.718	81%	0.807	S	S	*	*			trans	55.8	106.2	152.1	-92.8	-74.3	0	0	0	121.6	D260	H258-D260 PolarHBondContact O-N 2.81Å
259	N	23.4	Very low	23.6	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	80%	0.799	S	S	*	*			trans	-58	100.4	151.6	-71.5	-28.6	0	0	0	110.4
260	D	23.3	Very low	23.5	Very low	140 Å²	140	149 Å²	149	75%	0.749	80%	0.797	S	S	*	*			trans	-127.1	83.6	154.1	-77.9	-35.4	0	0	0	107	H258	H258-D260 PolarHBondContact O-N 2.81Å
261	T	27.1	Very low	23.7	Very low	137 Å²	137	150.6 Å²	150.6	84%	0.84	80%	0.801	S	S	*	*			trans	-142.2	51.3	163	-20.7	0	0	0	0	108.4	N263	T261-N263 PolarHBondContact O-N 3.33Å; T261-N263 VanDerWaalsContact O-N 3.12Å
262	E	26.5	Very low	23.8	Very low	171 Å²	171	152.7 Å²	152.7	80%	0.799	80%	0.798	S	S	*	*			trans	-65.7	105.3	158	-76.7	-170.5	157.8	0	0	108.3	F264	E262-F264 PolarHBondContact O-N 2.87Å
263	N	24.9	Very low	24.1	Very low	153 Å²	153	149 Å²	149	82%	0.818	79%	0.788	S	S	*	*			trans	51.1	54	133.3	-63.1	-27.5	0	0	0	117.4	T261 I265	T261-N263 PolarHBondContact O-N 3.33Å; T261-N263 VanDerWaalsContact O-N 3.12Å; N263-I265 PolarHBondContact O-N 3Å
264	F	22.4	Very low	24.2	Very low	208 Å²	208	146.5 Å²	146.5	91%	0.912	78%	0.779	S	S	*	*			trans	-88.9	74.8	150.6	-89.4	-85	0	0	0	110.1	E262	E262-F264 PolarHBondContact O-N 2.87Å
265	I	27.1	Very low	24.3	Very low	158 Å²	158	148.9 Å²	148.9	81%	0.81	78%	0.779	S	S	*	*			trans	-138.3	76.7	152.6	-52.1	179.6	0	0	0	107.1	N263	N263-I265 PolarHBondContact O-N 3Å
266	N	21	Very low	24.7	Very low	140 Å²	140	150.4 Å²	150.4	75%	0.749	78%	0.777	S	S	*	*			trans	-117.5	121.7	165.3	-133	-5.8	0	0	0	106.5
267	N	23.7	Very low	24.8	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	78%	0.775	S	S	*	*	S	Bend	trans	72.6	134.9	170.8	-58.9	-37.5	0	0	0	118.7
268	Q	22.6	Very low	24.8	Very low	175 Å²	175	151.1 Å²	151.1	82%	0.818	77%	0.769	S	S	*	*			trans	74.3	74.1	177.2	-71.1	-176.2	-30.2	0	0	117.4
269	V	27.2	Very low	25	Very low	109 Å²	109	150.1 Å²	150.1	66%	0.661	77%	0.769	S	S	*	*			trans	-99.3	91.8	148.5	-176.6	0	0	0	0	106.8
270	N	23	Very low	25.2	Very low	126 Å²	126	149.4 Å²	149.4	67%	0.674	77%	0.765	S	S	*	*			trans	-58.5	145.1	155	-76	-24	0	0	0	107.3	E272	N270-E272 PolarHBondContact O-N 3.04Å
271	N	25.3	Very low	25.4	Very low	173 Å²	173	149.2 Å²	149.2	93%	0.925	76%	0.764	S	S	*	*	S	Bend	trans	-59.8	68.2	175.8	-87.4	-12.4	0	0	0	112.4
272	E	24.1	Very low	25.2	Very low	162 Å²	162	151 Å²	151	76%	0.757	77%	0.767	S	S	*	*			trans	-119.4	123	166.3	-66.4	-152	169.8	0	0	109.2	N270 I274	N270-E272 PolarHBondContact O-N 3.04Å; E272-I274 PolarHBondContact O-N 3.18Å; E272-I274 VanDerWaalsContact O-N 3.12Å
273	D	27.3	Very low	25.1	Very low	123 Å²	123	148 Å²	148	66%	0.658	76%	0.761	S	S	*	*			trans	-45.7	110.4	-178.8	-60.1	-62.2	0	0	0	111.3	Y275	D273-Y275 VanDerWaalsContact C-N 3.32Å; D273-Y275 HydrophobicContact CB-CD2 3.99Å; D273-Y275 HydrophobicContact CB-CE2 3.67Å; D273-Y275 WeakPolarHBondContact O-CD2 3.49Å; D273-Y275 PolarHBondContact O-N 2.77Å
274	I	26.1	Very low	25	Very low	142 Å²	142	150.3 Å²	150.3	73%	0.728	76%	0.764	S	S	*	*			trans	-72.8	94.5	167.3	-59.1	176.4	0	0	0	106.8	E272 L276	E272-I274 PolarHBondContact O-N 3.18Å; E272-I274 VanDerWaalsContact O-N 3.12Å; I274-L276 PolarHBondContact O-N 3.36Å
275	Y	24.7	Very low	25.2	Very low	194 Å²	194	148.1 Å²	148.1	76%	0.761	76%	0.76	S	S	*	*			trans	-69.9	103.2	164.3	-74.4	-90.9	0	0	0	108.2	D273 N277	D273-Y275 VanDerWaalsContact C-N 3.32Å; D273-Y275 HydrophobicContact CB-CD2 3.99Å; D273-Y275 HydrophobicContact CB-CE2 3.67Å; D273-Y275 WeakPolarHBondContact O-CD2 3.49Å; D273-Y275 PolarHBondContact O-N 2.77Å; Y275-N277 PolarHBondContact O-N 3.12Å
276	L	29.4	Very low	25.1	Very low	146 Å²	146	149.1 Å²	149.1	76%	0.764	76%	0.761	S	S	*	*			trans	-66.5	115	160.2	-84.5	162.4	0	0	0	107.3	I274 D278	I274-L276 PolarHBondContact O-N 3.36Å; L276-D278 PolarHBondContact O-N 2.97Å
277	N	25	Very low	25.2	Very low	136 Å²	136	151.7 Å²	151.7	73%	0.727	77%	0.768	S	S	*	*			trans	-66.3	111.7	178.4	-164.5	9.3	0	0	0	108.8	Y275 N279	Y275-N277 PolarHBondContact O-N 3.12Å; N277-N279 PolarHBondContact O-N 3.05Å
278	D	24.6	Very low	25.2	Very low	122 Å²	122	147.3 Å²	147.3	65%	0.652	76%	0.758	S	S	*	*			trans	-66.4	66.5	176	-78.7	-35.1	0	0	0	111.1	L276 N280	L276-D278 PolarHBondContact O-N 2.97Å; D278-N280 VanDerWaalsContact C-N 3.32Å; D278-N280 PolarHBondContact O-N 3.18Å; D278-N280 VanDerWaalsContact O-N 3.13Å
279	N	26.3	Very low	25.2	Very low	134 Å²	134	147.8 Å²	147.8	72%	0.717	76%	0.758	S	S	*	*			trans	-81.2	91	161	-86.6	-16.3	0	0	0	107.9	N277 N281	N277-N279 PolarHBondContact O-N 3.05Å; N279-N281 VanDerWaalsContact C-N 3.29Å; N279-N281 PolarHBondContact O-N 2.88Å
280	N	28.7	Very low	25.2	Very low	141 Å²	141	149 Å²	149	75%	0.754	76%	0.76	S	S	*	*			trans	-44	90.2	163.7	-81	-45.5	0	0	0	111.3	D278	D278-N280 VanDerWaalsContact C-N 3.32Å; D278-N280 PolarHBondContact O-N 3.18Å; D278-N280 VanDerWaalsContact O-N 3.13Å
281	N	25.7	Very low	25.3	Very low	137 Å²	137	150 Å²	150	73%	0.733	76%	0.763	S	S	*	*			trans	-149.2	84.8	154.8	-90	-31.2	0	0	0	107	N279 T283	N279-N281 VanDerWaalsContact C-N 3.29Å; N279-N281 PolarHBondContact O-N 2.88Å; N281-T283 PolarHBondContact O-N 3.05Å
282	L	23.9	Very low	25.5	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	75%	0.749	S	S	*	*			trans	-60.7	71.3	155.7	-94.2	85	0	0	0	108.7	K284	L282-K284 PolarHBondContact O-N 3.46Å
283	T	23.9	Very low	26.2	Very low	107 Å²	107	143.6 Å²	143.6	66%	0.656	74%	0.741	S	S	*	*			trans	-80.8	103.7	157.7	45.3	0	0	0	0	105.9	N281 I285	N281-T283 PolarHBondContact O-N 3.05Å; T283-I285 VanDerWaalsContact C-N 3.32Å; T283-I285 PolarHBondContact O-N 3Å
284	K	23	Very low	27.2	Very low	203 Å²	203	147.1 Å²	147.1	88%	0.883	75%	0.751	S	S	*	*			trans	-22.3	90.1	166.2	-77	176.2	171.9	178.9	0	111.2	L282 Q286	L282-K284 PolarHBondContact O-N 3.46Å; K284-Q286 VanDerWaalsContact C-N 3.34Å; K284-Q286 PolarHBondContact O-N 2.98Å
285	I	26.7	Very low	28.4	Very low	162 Å²	162	142 Å²	142	83%	0.831	72%	0.724	S	S	*	*			trans	-66.9	110	159.1	-63.2	176.9	0	0	0	102.1	T283 E287	T283-I285 VanDerWaalsContact C-N 3.32Å; T283-I285 PolarHBondContact O-N 3Å; I285-E287 PolarHBondContact O-N 3.07Å
286	Q	24.2	Very low	30	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	70%	0.699	S	S	*	*			trans	-45.4	132.5	173.9	-75.6	173.7	-1.5	0	0	107.9	K284 G288	K284-Q286 VanDerWaalsContact C-N 3.34Å; K284-Q286 PolarHBondContact O-N 2.98Å; Q286-G288 PolarHBondContact O-N 2.93Å
287	E	24.8	Very low	31.9	Very low	194 Å²	194	136 Å²	136	91%	0.907	70%	0.699	S	S	*	*			trans	-54.7	75.5	175.1	-64.4	171.6	163.3	0	0	110.3	I285 K289	I285-E287 PolarHBondContact O-N 3.07Å; E287-K289 PolarHBondContact O-N 3.04Å; E287-K289 VanDerWaalsContact O-N 3.11Å
288	G	22.7	Very low	34.4	Very low	56 Å²	56	130.4 Å²	130.4	58%	0.577	68%	0.675	S	S	*	*			trans	-61	111.3	150.4	0	0	0	0	0	104.1	Q286 L290	Q286-G288 PolarHBondContact O-N 2.93Å; G288-L290 PolarHBondContact O-N 3.47Å
289	K	23.8	Very low	37.4	Very low	185 Å²	185	131.8 Å²	131.8	80%	0.804	68%	0.675	S	S	*	*			trans	-52.4	75.3	166.9	-82.2	177.7	171.2	178	0	109.5	E287 I291	E287-K289 PolarHBondContact O-N 3.04Å; E287-K289 VanDerWaalsContact O-N 3.11Å; K289-I291 HydrophobicContact CB-CG1 4.26Å; K289-I291 HydrophobicContact CD-CD1 4.46Å; K289-I291 PolarHBondContact O-N 2.99Å; K289-I291 VanDerWaalsContact O-N 3.08Å
290	L	27.3	Very low	40.4	Very low	135 Å²	135	125.5 Å²	125.5	71%	0.707	64%	0.641	S	S	*	*			trans	-78.1	75.6	152.9	-93.2	104.1	0	0	0	105.4	G288 N292	G288-L290 PolarHBondContact O-N 3.47Å; L290-N292 HydrophobicContact CB-CB 4.43Å; L290-N292 HydrophobicContact CD2-CB 4.03Å; L290-N292 VanDerWaalsContact CD2-ND2 3.34Å; L290-N292 WeakPolarHBondContact CD2-ND2 3.47Å; L290-N292 HydrophobicContact CG-CB 4.48Å; L290-N292 PolarHBondContact O-N 2.85Å
291	I	24.9	Very low	43.3	Very low	145 Å²	145	122.8 Å²	122.8	74%	0.744	62%	0.624	S	S	*	*			trans	-76.5	52.2	152.2	-43.2	171.2	0	0	0	105.9	K289 S293	K289-I291 HydrophobicContact CB-CG1 4.26Å; K289-I291 HydrophobicContact CD-CD1 4.46Å; K289-I291 PolarHBondContact O-N 2.99Å; K289-I291 VanDerWaalsContact O-N 3.08Å; I291-S293 PolarHBondContact O-N 3.16Å
292	N	29.6	Very low	46.4	Very low	119 Å²	119	116.4 Å²	116.4	64%	0.636	59%	0.59	S	S	*	*			trans	-92.1	89.9	174.6	-75.5	4.8	0	0	0	105	L290	L290-N292 HydrophobicContact CB-CB 4.43Å; L290-N292 HydrophobicContact CD2-CB 4.03Å; L290-N292 VanDerWaalsContact CD2-ND2 3.34Å; L290-N292 WeakPolarHBondContact CD2-ND2 3.47Å; L290-N292 HydrophobicContact CG-CB 4.48Å; L290-N292 PolarHBondContact O-N 2.85Å
293	S	37	Very low	49.4	Very low	83 Å²	83	113.6 Å²	113.6	58%	0.58	57%	0.57	S	S	*	*			trans	27.4	102.6	164.5	59.3	0	0	0	0	115.2	I291 L295	I291-S293 PolarHBondContact O-N 3.16Å; S293-L295 PolarHBondContact O-N 2.86Å
294	K	48	Very low	52.4	Low	197 Å²	197	109.2 Å²	109.2	86%	0.857	54%	0.542	S	S	*	.			trans	-60.1	16.5	167.8	-87.3	-173.2	174.5	-172.1	0	114.3
295	L	53	Low	55.1	Low	33 Å²	33	102.2 Å²	102.2	17%	0.173	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-76.9	126.1	177.7	-80.2	133.6	0	0	0	109.1	S293 K297 F377 F383 L492	S293-L295 PolarHBondContact O-N 2.86Å; L295-K297 PolarHBondContact O-N 2.91Å; L295-F377 HydrophobicContact CD2-CE1 3.71Å; L295-F377 HydrophobicContact CD2-CZ 4.25Å; L295-F377 HydrophobicContact CG-CE1 3.81Å; L295-F377 HydrophobicContact CG-CZ 3.99Å; L295-F383 HydrophobicContact CD2-CE1 4.16Å; L295-F383 HydrophobicContact CD2-CZ 4.48Å; L295-L492 HydrophobicContact CB-CD2 4.05Å; L295-L492 HydrophobicContact CD1-CD2 4.01Å; L295-L492 HydrophobicContact CD2-CD1 3.82Å; L295-L492 HydrophobicContact CD2-CD2 3.69Å; L295-L492 HydrophobicContact CD2-CG 4.42Å; L295-L492 HydrophobicContact CG-CD2 4.11Å
296	P	57.1	Low	57	Low	36 Å²	36	97.1 Å²	97.1	23%	0.234	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-64.8	132.1	179.2	25.7	-31.9	0	0	0	109.5	G298 Y350 M378	P296-G298 PolarHBondContact O-N 3.04Å; P296-Y350 HydrophobicContact CG-CD2 4.44Å; P296-M378 HydrophobicContact CG-CE 3.33Å; P296-M378 HydrophobicContact CG-SD 4.39Å
297	K	69.6	Low	58.5	Low	178 Å²	178	92.8 Å²	92.8	77%	0.774	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-61	129.6	169.3	-71.9	-173.6	177.2	-177.2	0	108.3	L295 L351	L295-K297 PolarHBondContact O-N 2.91Å; K297-L351 PolarHBondContact O-N 2.87Å
298	G	78.5	Confident	59.5	Low	20 Å²	20	91.7 Å²	91.7	21%	0.206	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	172.4	-178.2	0	0	0	0	0	113.2	P296 H349 S493	P296-G298 PolarHBondContact O-N 3.04Å; G298-H349 CarbonylContact C-O 3.51Å; G298-H349 WeakPolarHBondContact CA-O 3.34Å; G298-S493 PolarHBondContact O-OG 2.96Å; G298-S493 VanDerWaalsContact O-OG 3.06Å
299	K	87.1	Confident	60.3	Low	150 Å²	150	95.8 Å²	95.8	65%	0.652	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	125	-177.3	-176.1	178.8	179.3	-177.4	0	109.7	H349 S493	K299-H349 PolarHBondContact N-O 2.95Å; K299-H349 PolarHBondContact O-CD2 2.79Å; K299-H349 PolarHBondContact O-N 2.82Å; K299-S493 WeakPolarHBondContact CA-OG 3.43Å
300	L	89.9	Confident	60.9	Low	2 Å²	2	91.7 Å²	91.7	1%	0.01	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132	167.8	-156.1	66	0	0	0	110	I346 Q347 F348 L385 V482 S493 I495	L300-I346 HydrophobicContact CD1-CG2 3.62Å; L300-I346 HydrophobicContact CD2-CG2 4.19Å; L300-I346 HydrophobicContact CG-CG2 3.95Å; L300-Q347 CarbonylContact C-O 3.57Å; L300-F348 HydrophobicContact CD1-CB 4.15Å; L300-F348 HydrophobicContact CD1-CD2 4.33Å; L300-L385 HydrophobicContact CD1-CD2 4.29Å; L300-L385 HydrophobicContact CD2-CD2 4.1Å; L300-V482 HydrophobicContact CD2-CB 4.29Å; L300-V482 HydrophobicContact CD2-CG1 3.91Å; L300-S493 PolarHBondContact N-OG 3.18Å; L300-I495 HydrophobicContact CB-CB 4.49Å; L300-I495 HydrophobicContact CB-CG2 4.37Å; L300-I495 HydrophobicContact CD2-CG2 3.83Å; L300-I495 HydrophobicContact CG-CG2 4.26Å
301	E	89.5	Confident	61.3	Low	84 Å²	84	90.9 Å²	90.9	39%	0.393	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.3	170.8	-177.2	-178	177.5	0	0	108.9	I346 Q347 H349	E301-I346 WeakPolarHBondContact O-CA 3.44Å; E301-Q347 PolarHBondContact N-O 2.81Å; E301-Q347 PolarHBondContact O-N 3.22Å; E301-H349 WeakPolarHBondContact CB-NE2 3.46Å; E301-H349 IonicContact OE2-CD2 3.28Å; E301-H349 IonicContact OE2-CE1 3.96Å; E301-H349 PolarHBondContact OE2-CE1 3.02Å; E301-H349 IonicContact OE2-NE2 3.88Å; E301-H349 PolarHBondContact OE2-NE2 3.12Å
302	L	89.3	Confident	62.1	Low	4 Å²	4	90.9 Å²	90.9	2%	0.021	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.3	178	-171.1	150.5	0	0	0	109.5	F304 Q332 T344 I346 V482 I495 F497	L302-F304 HydrophobicContact CD2-CD1 4.16Å; L302-F304 HydrophobicContact CD2-CD2 3.8Å; L302-F304 HydrophobicContact CD2-CE1 3.65Å; L302-F304 HydrophobicContact CD2-CE2 3.25Å; L302-F304 HydrophobicContact CD2-CG 4.24Å; L302-F304 HydrophobicContact CD2-CZ 3.17Å; L302-F304 HydrophobicContact CG-CZ 4.49Å; L302-Q332 PolarHBondContact O-NE2 3.32Å; L302-T344 HydrophobicContact CD1-CG2 4.21Å; L302-T344 HydrophobicContact CD2-CG2 3.99Å; L302-T344 HydrophobicContact CG-CG2 3.92Å; L302-I346 HydrophobicContact CD1-CD1 4.37Å; L302-I346 HydrophobicContact CD1-CG1 4.29Å; L302-I346 HydrophobicContact CG-CG1 4.32Å; L302-V482 HydrophobicContact CD1-CG2 3.97Å; L302-I495 HydrophobicContact CB-CD1 3.94Å; L302-I495 HydrophobicContact CB-CG2 4.16Å; L302-I495 HydrophobicContact CD1-CG2 4.39Å; L302-F497 HydrophobicContact CD1-CD1 3.99Å; L302-F497 HydrophobicContact CD1-CE1 3.81Å
303	K	87.7	Confident	62.6	Low	114 Å²	114	93.6 Å²	93.6	50%	0.496	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.5	178.9	-173.6	176.6	-176.3	178.2	0	111.1	L305 R345	K303-L305 PolarHBondContact O-N 3.12Å; K303-R345 HydrophobicContact CB-CB 4.47Å; K303-R345 PolarHBondContact N-O 3.38Å; K303-R345 PolarHBondContact O-N 2.74Å
304	F	86.1	Confident	62.6	Low	15 Å²	15	94.2 Å²	94.2	7%	0.066	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.5	172.3	-56.3	-75.6	0	0	0	110.5	L302 L306 T324 L334 I342 T344 F497	L302-F304 HydrophobicContact CD2-CD1 4.16Å; L302-F304 HydrophobicContact CD2-CD2 3.8Å; L302-F304 HydrophobicContact CD2-CE1 3.65Å; L302-F304 HydrophobicContact CD2-CE2 3.25Å; L302-F304 HydrophobicContact CD2-CG 4.24Å; L302-F304 HydrophobicContact CD2-CZ 3.17Å; L302-F304 HydrophobicContact CG-CZ 4.49Å; F304-L306 HydrophobicContact CB-CD2 4.44Å; F304-L306 PolarHBondContact O-N 3.06Å; F304-T324 HydrophobicContact CD2-CG2 4.16Å; F304-T324 WeakPolarHBondContact CD2-OG1 3.44Å; F304-T324 HydrophobicContact CE2-CG2 4.49Å; F304-L334 HydrophobicContact CB-CD1 4.39Å; F304-L334 HydrophobicContact CD1-CD1 4.18Å; F304-L334 HydrophobicContact CD1-CD2 4.02Å; F304-L334 HydrophobicContact CD2-CD1 3.97Å; F304-L334 HydrophobicContact CE1-CD1 4.47Å; F304-L334 HydrophobicContact CE1-CD2 3.64Å; F304-L334 HydrophobicContact CE2-CB 4.2Å; F304-L334 HydrophobicContact CE2-CD1 4.26Å; F304-L334 HydrophobicContact CE2-CD2 4.36Å; F304-L334 HydrophobicContact CG-CD1 3.9Å; F304-L334 HydrophobicContact CZ-CB 4.3Å; F304-L334 HydrophobicContact CZ-CD1 4.49Å; F304-L334 HydrophobicContact CZ-CD2 3.82Å; F304-L334 HydrophobicContact CZ-CG 4.43Å; F304-I342 HydrophobicContact CB-CG2 4.3Å; F304-I342 HydrophobicContact CD1-CG2 3.82Å; F304-I342 HydrophobicContact CG-CG2 4.5Å; F304-T344 HydrophobicContact CD1-CG2 3.87Å; F304-T344 HydrophobicContact CE1-CG2 3.87Å; F304-F497 HydrophobicContact CE1-CE2 4.12Å; F304-F497 HydrophobicContact CE1-CZ 4.35Å; F304-F497 HydrophobicContact CE2-CD2 4.28Å; F304-F497 HydrophobicContact CE2-CG 4.49Å; F304-F497 HydrophobicContact CZ-CD1 4.34Å; F304-F497 AromaticContact CZ-CD2 3.58Å; F304-F497 HydrophobicContact CZ-CD2 3.58Å; F304-F497 HydrophobicContact CZ-CE1 4.35Å; F304-F497 AromaticContact CZ-CE2 3.56Å; F304-F497 HydrophobicContact CZ-CE2 3.56Å; F304-F497 AromaticContact CZ-CG 3.96Å; F304-F497 HydrophobicContact CZ-CG 3.96Å; F304-F497 AromaticContact CZ-CZ 3.99Å; F304-F497 HydrophobicContact CZ-CZ 3.99Å
305	L	80	Confident	62.3	Low	56 Å²	56	89.3 Å²	89.3	29%	0.293	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	95.5	173.3	-54.4	179	0	0	0	107.6	K303 N307 D343 R345 I458	K303-L305 PolarHBondContact O-N 3.12Å; L305-N307 PolarHBondContact O-N 3.06Å; L305-D343 WeakPolarHBondContact CA-O 3.49Å; L305-D343 HydrophobicContact CB-CB 3.92Å; L305-D343 WeakPolarHBondContact CB-O 3.3Å; L305-D343 HydrophobicContact CD1-CB 4.37Å; L305-D343 PolarHBondContact N-O 2.86Å; L305-R345 HydrophobicContact CD1-CB 4.26Å; L305-R345 HydrophobicContact CD2-CB 4.43Å; L305-R345 HydrophobicContact CG-CB 4.27Å; L305-I458 HydrophobicContact CD1-CD1 3.76Å; L305-I458 HydrophobicContact CD1-CG1 4.14Å; L305-I458 HydrophobicContact CD1-CG2 4.33Å
306	L	68	Low	61.8	Low	56 Å²	56	93.1 Å²	93.1	29%	0.293	48%	0.479	S	S	.	.			trans	-72.7	99.9	178.8	-56.1	175.6	0	0	0	107.8	F304 Q308 A322	F304-L306 HydrophobicContact CB-CD2 4.44Å; F304-L306 PolarHBondContact O-N 3.06Å; L306-Q308 WeakPolarHBondContact O-CG 3.31Å; L306-Q308 PolarHBondContact O-N 2.74Å; L306-A322 HydrophobicContact CD2-CB 3.43Å; L306-A322 VanDerWaalsContact CD2-CB 3.43Å; L306-A322 WeakPolarHBondContact CD2-O 3.32Å
307	N	53.8	Low	61	Low	87 Å²	87	99.8 Å²	99.8	47%	0.465	50%	0.504	S	S	.	.			trans	-44.7	108.7	178.9	-89.9	-32.7	0	0	0	110.6	L305 D309 D343	L305-N307 PolarHBondContact O-N 3.06Å; N307-D309 VanDerWaalsContact C-N 3.3Å; N307-D343 PolarHBondContact ND2-OD2 2.7Å; N307-D343 PolarHBondContact OD1-OD2 3.44Å
308	Q	47.1	Very low	59.6	Low	171 Å²	171	99.1 Å²	99.1	80%	0.799	50%	0.498	S	S	*	.			trans	-85.4	-9.5	175.9	-63.8	-171.2	3.4	0	0	111.2	L306 N310	L306-Q308 WeakPolarHBondContact O-CG 3.31Å; L306-Q308 PolarHBondContact O-N 2.74Å; Q308-N310 PolarHBondContact O-N 3.23Å
309	D	38.5	Very low	58.2	Low	142 Å²	142	99.3 Å²	99.3	76%	0.759	50%	0.5	S	S	*	.			trans	-87.3	39.8	-164	-62.9	-22.5	0	0	0	114.5	N307	N307-D309 VanDerWaalsContact C-N 3.3Å
310	N	36.6	Very low	57.4	Low	98 Å²	98	97.7 Å²	97.7	52%	0.524	49%	0.493	S	S	.	.	S	Bend	trans	-89.8	106	149.1	-79.8	1.9	0	0	0	106.5	Q308 I312	Q308-N310 PolarHBondContact O-N 3.23Å; N310-I312 PolarHBondContact O-N 3.42Å
311	T	35.5	Very low	56.9	Low	118 Å²	118	99.5 Å²	99.5	72%	0.724	50%	0.504	S	S	*	.			trans	-32.3	135.8	171.6	47.6	0	0	0	0	112.1	H313 D314	T311-H313 PolarHBondContact O-N 3.13Å; T311-D314 PolarHBondContact O-N 2.83Å
312	I	43	Very low	56.7	Low	146 Å²	146	95.5 Å²	95.5	75%	0.749	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.2	-18.2	-167.6	-66.7	161.8	0	0	0	117.2	N310	N310-I312 PolarHBondContact O-N 3.42Å
313	H	39.1	Very low	56.7	Low	175 Å²	175	99 Å²	99	81%	0.81	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.3	-177.5	-78	-62.7	0	0	0	116.9	T311	T311-H313 PolarHBondContact O-N 3.13Å
314	D	37.2	Very low	56.8	Low	97 Å²	97	95.1 Å²	95.1	52%	0.519	49%	0.487	S	S	.	.	S	Bend	trans	-117.7	15.2	-176.5	-100	-27.1	0	0	0	115.4	T311 S316	T311-D314 PolarHBondContact O-N 2.83Å; D314-S316 PolarHBondContact O-N 2.85Å
315	I	40.8	Very low	56.9	Low	93 Å²	93	95 Å²	95	48%	0.477	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.6	-178.4	-55.9	170.9	0	0	0	112.1	G319	I315-G319 WeakPolarHBondContact O-CA 3.36Å
316	S	44.1	Very low	57.4	Low	113 Å²	113	98.5 Å²	98.5	79%	0.79	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.9	-167.1	64.3	0	0	0	0	115	D314	D314-S316 PolarHBondContact O-N 2.85Å
317	K	40.5	Very low	58.4	Low	176 Å²	176	96.7 Å²	96.7	77%	0.765	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-31.8	-176.3	-95.8	-176.6	178.7	175.1	0	115.1
318	Y	38.3	Very low	59.7	Low	164 Å²	164	100 Å²	100	64%	0.643	51%	0.506	S	S	*	.	S	Bend	trans	-111.4	33.2	-180	-59.6	-76	0	0	0	111.6	K320	Y318-K320 PolarHBondContact O-N 3.39Å
319	G	50.6	Low	61.4	Low	25 Å²	25	98 Å²	98	26%	0.258	50%	0.5	S	S	.	.			trans	-54.3	125	-172.1	0	0	0	0	0	113.8	I315	I315-G319 WeakPolarHBondContact O-CA 3.36Å
320	K	69.3	Low	63.6	Low	116 Å²	116	93.7 Å²	93.7	50%	0.504	49%	0.49	S	S	.	.			trans	41.5	107.4	170.3	-54.8	-177.6	-178.7	175.1	0	115.1	Y318 A322 I506	Y318-K320 PolarHBondContact O-N 3.39Å; K320-A322 PolarHBondContact O-N 2.88Å; K320-A322 VanDerWaalsContact O-N 3.1Å; K320-I506 HydrophobicContact CB-CD1 3.8Å; K320-I506 HydrophobicContact CB-CG1 3.96Å; K320-I506 HydrophobicContact CD-CD1 3.77Å; K320-I506 HydrophobicContact CD-CG1 4.19Å; K320-I506 HydrophobicContact CG-CD1 3.83Å; K320-I506 HydrophobicContact CG-CG1 4.4Å
321	V	79.3	Confident	66.1	Low	39 Å²	39	90.2 Å²	90.2	24%	0.236	47%	0.471	C	S	.	.	S	Bend	trans	-56.5	-26.8	175.2	-178.1	0	0	0	0	113.1	I337 R340 I342 P505	V321-I337 HydrophobicContact CG1-CB 4.5Å; V321-I337 PolarHBondContact O-N 3Å; V321-R340 HydrophobicContact CG1-CB 3.19Å; V321-R340 HydrophobicContact CG1-CG 3.79Å; V321-I342 HydrophobicContact CB-CD1 4.34Å; V321-I342 HydrophobicContact CG1-CD1 3.65Å; V321-P505 WeakPolarHBondContact O-CG 3.24Å
322	A	86.2	Confident	68.8	Low	1 Å²	1	86.5 Å²	86.5	1%	0.008	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.1	174.2	0	0	0	0	0	112.8	L306 K320 L334 F335 V336 I342	L306-A322 HydrophobicContact CD2-CB 3.43Å; L306-A322 VanDerWaalsContact CD2-CB 3.43Å; L306-A322 WeakPolarHBondContact CD2-O 3.32Å; K320-A322 PolarHBondContact O-N 2.88Å; K320-A322 VanDerWaalsContact O-N 3.1Å; A322-L334 HydrophobicContact CB-CD1 3.95Å; A322-F335 CarbonylContact C-O 3.58Å; A322-F335 WeakPolarHBondContact CA-O 3.47Å; A322-F335 WeakPolarHBondContact CB-O 3.47Å; A322-V336 HydrophobicContact CB-CB 4.17Å; A322-V336 HydrophobicContact CB-CG2 4.27Å; A322-I342 HydrophobicContact CB-CD1 3.57Å; A322-I342 HydrophobicContact CB-CG1 4.49Å
323	K	88.8	Confident	71.1	Confident	77 Å²	77	79.9 Å²	79.9	34%	0.335	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.6	172.2	176.9	63.5	177.7	-179.1	0	108.6	F335 P505 A509	K323-F335 PolarHBondContact N-O 3.18Å; K323-F335 WeakPolarHBondContact O-CB 3.25Å; K323-F335 PolarHBondContact O-N 2.72Å; K323-P505 HydrophobicContact CB-CB 4.23Å; K323-A509 HydrophobicContact CB-CB 4.26Å; K323-A509 HydrophobicContact CG-CB 3.7Å
324	T	89.8	Confident	73.6	Confident	33 Å²	33	71.5 Å²	71.5	20%	0.202	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.8	172.9	-48.3	0	0	0	0	110	F304 Q332 K333 L334	F304-T324 HydrophobicContact CD2-CG2 4.16Å; F304-T324 WeakPolarHBondContact CD2-OG1 3.44Å; F304-T324 HydrophobicContact CE2-CG2 4.49Å; T324-Q332 HydrophobicContact CG2-CB 4.2Å; T324-K333 WeakPolarHBondContact CA-O 3.26Å; T324-L334 WeakPolarHBondContact OG1-CD1 3.48Å
325	I	89.4	Confident	76	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.056	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.8	166.8	64.9	175.5	0	0	0	108.8	K333 F335 A509 Y512 Q513	I325-K333 HydrophobicContact CD1-CB 4.32Å; I325-K333 HydrophobicContact CD1-CD 4.36Å; I325-K333 HydrophobicContact CG1-CB 3.81Å; I325-K333 PolarHBondContact N-O 3.38Å; I325-K333 PolarHBondContact O-N 3.4Å; I325-F335 HydrophobicContact CD1-CE2 3.64Å; I325-F335 HydrophobicContact CD1-CZ 4.31Å; I325-F335 HydrophobicContact CG1-CE2 3.93Å; I325-A509 HydrophobicContact CG2-CB 4.22Å; I325-Y512 HydrophobicContact CD1-CD1 3.17Å; I325-Y512 HydrophobicContact CD1-CE1 3.41Å; I325-Y512 VanDerWaalsContact CD1-CE1 3.41Å; I325-Y512 HydrophobicContact CD1-CG 4.18Å; I325-Q513 HydrophobicContact CD1-CG 4.27Å; I325-Q513 HydrophobicContact CG2-CG 4.43Å
326	I	90.6	Very high	78.2	Confident	130 Å²	130	62.8 Å²	62.8	67%	0.667	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.9	169.9	-59.6	174.6	0	0	0	106.6	L331	I326-L331 WeakPolarHBondContact CA-O 3.46Å
327	T	87.1	Confident	79.9	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.117	30%	0.299	C	S	.	.			trans	-76.3	166.4	176.3	51	0	0	0	0	110.4	N329 G330 L331 K333 Y512	T327-N329 WeakPolarHBondContact CB-OD1 3.36Å; T327-N329 PolarHBondContact O-N 3.22Å; T327-N329 VanDerWaalsContact O-N 3.16Å; T327-N329 PolarHBondContact OG1-OD1 2.69Å; T327-G330 WeakPolarHBondContact O-CA 3.41Å; T327-G330 PolarHBondContact O-N 3.08Å; T327-L331 PolarHBondContact N-O 2.91Å; T327-L331 WeakPolarHBondContact OG1-CB 3.48Å; T327-L331 PolarHBondContact OG1-N 3.44Å; T327-L331 PolarHBondContact OG1-O 3.31Å; T327-K333 HydrophobicContact CG2-CB 4.1Å; T327-K333 HydrophobicContact CG2-CD 4.41Å; T327-Y512 HydrophobicContact CG2-CE1 4.16Å
328	K	81.9	Confident	81.7	Confident	156 Å²	156	55 Å²	55	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.9	-176.7	-71.1	-178.9	155	-148	0	115.2	G330 E520	K328-G330 PolarHBondContact O-N 3.18Å; K328-E520 WeakPolarHBondContact CE-OE1 3.47Å; K328-E520 WeakPolarHBondContact CE-OE2 3.38Å; K328-E520 VanDerWaalsContact NZ-CG 3.25Å; K328-E520 IonicContact NZ-OE1 2.54Å; K328-E520 PolarHBondContact NZ-OE1 3.14Å; K328-E520 IonicContact NZ-OE2 3.59Å
329	N	83.2	Confident	83.4	Confident	128 Å²	128	47.6 Å²	47.6	68%	0.684	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	5.4	174.7	63.9	-14	0	0	0	113.1	T327 L331	T327-N329 WeakPolarHBondContact CB-OD1 3.36Å; T327-N329 PolarHBondContact O-N 3.22Å; T327-N329 VanDerWaalsContact O-N 3.16Å; T327-N329 PolarHBondContact OG1-OD1 2.69Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 3.18Å; N329-L331 WeakPolarHBondContact OD1-CB 3.47Å; N329-L331 PolarHBondContact OD1-N 3.23Å
330	G	84.9	Confident	84.7	Confident	52 Å²	52	53.2 Å²	53.2	54%	0.536	27%	0.265	S	S	.	.	S	Bend	trans	81.8	-0.1	-178.9	0	0	0	0	0	114.9	T327 K328	T327-G330 WeakPolarHBondContact O-CA 3.41Å; T327-G330 PolarHBondContact O-N 3.08Å; K328-G330 PolarHBondContact O-N 3.18Å
331	L	89.2	Confident	85	Confident	25 Å²	25	51.1 Å²	51.1	13%	0.131	26%	0.258	C	S	.	.			trans	-71.7	140.3	177.4	-172.4	73.8	0	0	0	110.6	I326 T327 N329 E496 E498	I326-L331 WeakPolarHBondContact CA-O 3.46Å; T327-L331 PolarHBondContact N-O 2.91Å; T327-L331 WeakPolarHBondContact OG1-CB 3.48Å; T327-L331 PolarHBondContact OG1-N 3.44Å; T327-L331 PolarHBondContact OG1-O 3.31Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 3.18Å; N329-L331 WeakPolarHBondContact OD1-CB 3.47Å; N329-L331 PolarHBondContact OD1-N 3.23Å; L331-E496 HydrophobicContact CD1-CB 3.89Å; L331-E496 HydrophobicContact CD1-CG 3.9Å; L331-E496 VanDerWaalsContact CD1-O 3.29Å; L331-E496 WeakPolarHBondContact CD1-O 3.15Å; L331-E498 HydrophobicContact CD2-CB 4.13Å
332	Q	91.3	Very high	85.1	Confident	41 Å²	41	49.5 Å²	49.5	19%	0.192	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128	172.2	-61.7	-170.2	30.1	0	0	109.6	L302 T324 F497 E498	L302-Q332 PolarHBondContact O-NE2 3.32Å; T324-Q332 HydrophobicContact CG2-CB 4.2Å; Q332-F497 HydrophobicContact CB-CB 3.99Å; Q332-F497 CarbonylContact O-C 3.42Å; Q332-F497 WeakPolarHBondContact O-CA 2.91Å; Q332-F497 WeakPolarHBondContact O-CB 3.32Å; Q332-E498 PolarHBondContact O-N 2.97Å
333	K	91.2	Very high	84.9	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.2	171.8	-171.5	172.2	-170.9	125.2	0	109.4	T324 I325 T327 F335 D477 E498 V500 Y512	T324-K333 WeakPolarHBondContact CA-O 3.26Å; I325-K333 HydrophobicContact CD1-CB 4.32Å; I325-K333 HydrophobicContact CD1-CD 4.36Å; I325-K333 HydrophobicContact CG1-CB 3.81Å; I325-K333 PolarHBondContact N-O 3.38Å; I325-K333 PolarHBondContact O-N 3.4Å; T327-K333 HydrophobicContact CG2-CB 4.1Å; T327-K333 HydrophobicContact CG2-CD 4.41Å; K333-F335 HydrophobicContact CB-CE2 4.39Å; K333-F335 HydrophobicContact CD-CE2 3.92Å; K333-F335 HydrophobicContact CD-CZ 3.89Å; K333-F335 HydrophobicContact CG-CD2 4.43Å; K333-F335 HydrophobicContact CG-CE2 3.72Å; K333-F335 HydrophobicContact CG-CZ 4.11Å; K333-D477 IonicContact NZ-OD2 3.09Å; K333-D477 PolarHBondContact NZ-OD2 3.48Å; K333-E498 CarbonylContact C-O 3.59Å; K333-E498 WeakPolarHBondContact CA-O 3.34Å; K333-E498 HydrophobicContact CB-CB 4.36Å; K333-E498 VanDerWaalsContact CD-OE2 3.27Å; K333-E498 WeakPolarHBondContact CD-OE2 2.9Å; K333-E498 VanDerWaalsContact CE-CD 3.45Å; K333-E498 WeakPolarHBondContact CE-OE1 3.1Å; K333-E498 VanDerWaalsContact CE-OE2 3.32Å; K333-E498 WeakPolarHBondContact CE-OE2 3.12Å; K333-E498 HydrophobicContact CG-CB 4.19Å; K333-E498 HydrophobicContact CG-CG 4.46Å; K333-E498 IonicContact NZ-OE1 2.77Å; K333-E498 PolarHBondContact NZ-OE1 3.42Å; K333-E498 IonicContact NZ-OE2 2.82Å; K333-E498 PolarHBondContact NZ-OE2 2.93Å; K333-V500 HydrophobicContact CG-CG2 4.35Å; K333-Y512 HydrophobicContact CD-CD1 4.43Å; K333-Y512 HydrophobicContact CD-CD2 4.31Å; K333-Y512 HydrophobicContact CD-CE1 4.02Å; K333-Y512 HydrophobicContact CD-CE2 3.91Å
334	L	91.2	Very high	84.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.9	-179.8	177.8	70.5	0	0	0	110	F304 A322 T324 V336 F463 F497 E498 V499 V500	F304-L334 HydrophobicContact CB-CD1 4.39Å; F304-L334 HydrophobicContact CD1-CD1 4.18Å; F304-L334 HydrophobicContact CD1-CD2 4.02Å; F304-L334 HydrophobicContact CD2-CD1 3.97Å; F304-L334 HydrophobicContact CE1-CD1 4.47Å; F304-L334 HydrophobicContact CE1-CD2 3.64Å; F304-L334 HydrophobicContact CE2-CB 4.2Å; F304-L334 HydrophobicContact CE2-CD1 4.26Å; F304-L334 HydrophobicContact CE2-CD2 4.36Å; F304-L334 HydrophobicContact CG-CD1 3.9Å; F304-L334 HydrophobicContact CZ-CB 4.3Å; F304-L334 HydrophobicContact CZ-CD1 4.49Å; F304-L334 HydrophobicContact CZ-CD2 3.82Å; F304-L334 HydrophobicContact CZ-CG 4.43Å; A322-L334 HydrophobicContact CB-CD1 3.95Å; T324-L334 WeakPolarHBondContact OG1-CD1 3.48Å; L334-V336 HydrophobicContact CD2-CB 4.43Å; L334-V336 HydrophobicContact CD2-CG1 4.46Å; L334-V336 HydrophobicContact CG-CB 4.31Å; L334-F463 HydrophobicContact CD2-CD2 4.36Å; L334-F463 HydrophobicContact CD2-CE2 3.64Å; L334-F463 HydrophobicContact CD2-CZ 3.86Å; L334-F497 HydrophobicContact CB-CD2 4.48Å; L334-F497 HydrophobicContact CD2-CE2 4.39Å; L334-E498 PolarHBondContact N-O 3.16Å; L334-V499 HydrophobicContact CB-CG2 4.41Å; L334-V499 HydrophobicContact CD2-CG2 4.26Å; L334-V499 WeakPolarHBondContact O-CA 3.3Å; L334-V500 PolarHBondContact O-N 2.69Å
335	F	88.4	Confident	84.5	Confident	7 Å²	7	50 Å²	50	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.6	166.1	-64.2	-100	0	0	0	108.3	A322 K323 I325 K333 V500 P505 D508 A509 Y512	A322-F335 CarbonylContact C-O 3.58Å; A322-F335 WeakPolarHBondContact CA-O 3.47Å; A322-F335 WeakPolarHBondContact CB-O 3.47Å; K323-F335 PolarHBondContact N-O 3.18Å; K323-F335 WeakPolarHBondContact O-CB 3.25Å; K323-F335 PolarHBondContact O-N 2.72Å; I325-F335 HydrophobicContact CD1-CE2 3.64Å; I325-F335 HydrophobicContact CD1-CZ 4.31Å; I325-F335 HydrophobicContact CG1-CE2 3.93Å; K333-F335 HydrophobicContact CB-CE2 4.39Å; K333-F335 HydrophobicContact CD-CE2 3.92Å; K333-F335 HydrophobicContact CD-CZ 3.89Å; K333-F335 HydrophobicContact CG-CD2 4.43Å; K333-F335 HydrophobicContact CG-CE2 3.72Å; K333-F335 HydrophobicContact CG-CZ 4.11Å; F335-V500 CarbonylContact C-O 3.6Å; F335-V500 WeakPolarHBondContact CA-O 3.48Å; F335-V500 HydrophobicContact CD1-CB 3.82Å; F335-V500 HydrophobicContact CD1-CG1 3.89Å; F335-V500 HydrophobicContact CD1-CG2 4.41Å; F335-V500 HydrophobicContact CE1-CB 4.01Å; F335-V500 HydrophobicContact CE1-CG1 4Å; F335-V500 HydrophobicContact CE1-CG2 4.14Å; F335-V500 HydrophobicContact CG-CB 4.38Å; F335-V500 HydrophobicContact CZ-CG2 4.47Å; F335-P505 HydrophobicContact CB-CB 3.93Å; F335-D508 HydrophobicContact CD1-CB 4.07Å; F335-D508 HydrophobicContact CE1-CB 4.33Å; F335-A509 HydrophobicContact CD1-CB 4.44Å; F335-A509 HydrophobicContact CD2-CB 3.67Å; F335-A509 HydrophobicContact CE2-CB 3.95Å; F335-A509 HydrophobicContact CG-CB 3.95Å; F335-A509 HydrophobicContact CZ-CB 4.44Å; F335-Y512 HydrophobicContact CZ-CD1 4.39Å; F335-Y512 HydrophobicContact CZ-CD2 4.37Å; F335-Y512 AromaticContact CZ-CG 3.91Å; F335-Y512 HydrophobicContact CZ-CG 3.91Å
336	V	86.2	Confident	84.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.5	-172.5	58.9	0	0	0	0	112.1	A322 L334 R338 I342 F463 V499 V500 S501 C502	A322-V336 HydrophobicContact CB-CB 4.17Å; A322-V336 HydrophobicContact CB-CG2 4.27Å; L334-V336 HydrophobicContact CD2-CB 4.43Å; L334-V336 HydrophobicContact CD2-CG1 4.46Å; L334-V336 HydrophobicContact CG-CB 4.31Å; V336-R338 PolarHBondContact O-N 3.32Å; V336-I342 HydrophobicContact CG2-CD1 3.77Å; V336-I342 HydrophobicContact CG2-CG1 3.63Å; V336-F463 HydrophobicContact CG1-CB 4.11Å; V336-F463 HydrophobicContact CG1-CD2 3.93Å; V336-F463 HydrophobicContact CG1-CG 4.17Å; V336-F463 HydrophobicContact CG2-CD2 4.12Å; V336-V499 HydrophobicContact CG1-CG1 3.77Å; V336-V500 PolarHBondContact N-O 3.02Å; V336-S501 CarbonylContact O-C 3.6Å; V336-S501 VanDerWaalsContact O-CA 3.31Å; V336-S501 WeakPolarHBondContact O-CA 3.49Å; V336-C502 PolarHBondContact O-N 2.54Å
337	I	81.5	Confident	84.3	Confident	42 Å²	42	44.1 Å²	44.1	22%	0.215	22%	0.216	C	C	.	.			trans	-70.9	125.6	169.7	-59.7	179.9	0	0	0	109.2	V321 G339 R340 C502 P505	V321-I337 HydrophobicContact CG1-CB 4.5Å; V321-I337 PolarHBondContact O-N 3Å; I337-G339 PolarHBondContact O-N 2.92Å; I337-R340 HydrophobicContact CB-CB 4.35Å; I337-R340 HydrophobicContact CB-CG 3.7Å; I337-R340 HydrophobicContact CG2-CG 3.57Å; I337-R340 WeakPolarHBondContact O-CB 3.48Å; I337-R340 PolarHBondContact O-N 3.16Å; I337-R340 VanDerWaalsContact O-N 3.12Å; I337-C502 WeakPolarHBondContact CA-O 3.4Å; I337-P505 HydrophobicContact CD1-CG 4.49Å; I337-P505 HydrophobicContact CG1-CG 3.59Å
338	R	76.8	Confident	84.3	Confident	84 Å²	84	43.3 Å²	43.3	32%	0.317	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	132.2	176.1	-179.9	172.1	165	-129.9	-23.5	112.2	V336 R340 Y403 D405 P464 S501	V336-R338 PolarHBondContact O-N 3.32Å; R338-R340 PolarHBondContact O-N 3.5Å; R338-R340 VanDerWaalsContact O-N 3.15Å; R338-Y403 PolarHBondContact NE-OH 2.78Å; R338-Y403 VanDerWaalsContact NH2-CD1 3.33Å; R338-Y403 VanDerWaalsContact NH2-CZ 3.34Å; R338-D405 IonicContact NH2-OD2 2.73Å; R338-P464 WeakPolarHBondContact CD-O 3.29Å; R338-P464 WeakPolarHBondContact CG-O 3.33Å; R338-P464 PolarHBondContact NE-O 2.81Å; R338-S501 WeakPolarHBondContact CA-OG 3.39Å; R338-S501 WeakPolarHBondContact CB-OG 3.4Å
339	G	74.2	Confident	84.3	Confident	8 Å²	8	36.8 Å²	36.8	8%	0.082	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	2.6	172.6	0	0	0	0	0	114.2	I337 M407 V462 F463	I337-G339 PolarHBondContact O-N 2.92Å; G339-M407 WeakPolarHBondContact O-CE 3.37Å; G339-V462 WeakPolarHBondContact O-CG1 3.42Å; G339-F463 PolarHBondContact N-O 2.82Å
340	R	77.3	Confident	84.1	Confident	142 Å²	142	31.7 Å²	31.7	54%	0.536	15%	0.154	S	C	.	.			trans	-85.6	149.6	176.4	-61.7	-65.8	-171.9	150.1	-0.2	111.1	V321 I337 R338	V321-R340 HydrophobicContact CG1-CB 3.19Å; V321-R340 HydrophobicContact CG1-CG 3.79Å; I337-R340 HydrophobicContact CB-CB 4.35Å; I337-R340 HydrophobicContact CB-CG 3.7Å; I337-R340 HydrophobicContact CG2-CG 3.57Å; I337-R340 WeakPolarHBondContact O-CB 3.48Å; I337-R340 PolarHBondContact O-N 3.16Å; I337-R340 VanDerWaalsContact O-N 3.12Å; R338-R340 PolarHBondContact O-N 3.5Å; R338-R340 VanDerWaalsContact O-N 3.15Å
341	I	76.7	Confident	83.4	Confident	72 Å²	72	32.7 Å²	32.7	37%	0.369	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.1	177	-53.4	177.2	0	0	0	108.9	I425 H460 V462	I341-I425 HydrophobicContact CD1-CD1 3.42Å; I341-I425 VanDerWaalsContact CD1-CD1 3.42Å; I341-I425 HydrophobicContact CG1-CD1 3.54Å; I341-I425 HydrophobicContact CG2-CD1 4.26Å; I341-H460 HydrophobicContact CG2-CB 3.81Å; I341-V462 HydrophobicContact CB-CG2 4.42Å; I341-V462 HydrophobicContact CG1-CG2 3.88Å
342	I	81.4	Confident	82.3	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.3	174.6	-57.9	-58.6	0	0	0	109.1	F304 V321 A322 V336 T344 L461 F463	F304-I342 HydrophobicContact CB-CG2 4.3Å; F304-I342 HydrophobicContact CD1-CG2 3.82Å; F304-I342 HydrophobicContact CG-CG2 4.5Å; V321-I342 HydrophobicContact CB-CD1 4.34Å; V321-I342 HydrophobicContact CG1-CD1 3.65Å; A322-I342 HydrophobicContact CB-CD1 3.57Å; A322-I342 HydrophobicContact CB-CG1 4.49Å; V336-I342 HydrophobicContact CG2-CD1 3.77Å; V336-I342 HydrophobicContact CG2-CG1 3.63Å; I342-T344 PolarHBondContact O-N 2.95Å; I342-T344 PolarHBondContact O-OG1 3.08Å; I342-L461 PolarHBondContact N-O 3.35Å; I342-L461 PolarHBondContact O-N 2.87Å; I342-F463 HydrophobicContact CB-CE2 4.45Å; I342-F463 HydrophobicContact CG1-CD2 4.45Å; I342-F463 HydrophobicContact CG1-CE2 4.29Å
343	D	81.9	Confident	80.8	Confident	28 Å²	28	37.5 Å²	37.5	15%	0.15	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.1	173.6	-58.9	-16.1	0	0	0	108.2	L305 N307 I458 H460	L305-D343 WeakPolarHBondContact CA-O 3.49Å; L305-D343 HydrophobicContact CB-CB 3.92Å; L305-D343 WeakPolarHBondContact CB-O 3.3Å; L305-D343 HydrophobicContact CD1-CB 4.37Å; L305-D343 PolarHBondContact N-O 2.86Å; N307-D343 PolarHBondContact ND2-OD2 2.7Å; N307-D343 PolarHBondContact OD1-OD2 3.44Å; D343-I458 HydrophobicContact CB-CG2 4.09Å; D343-H460 IonicContact OD1-CD2 2.74Å; D343-H460 PolarHBondContact OD1-CD2 3.17Å; D343-H460 IonicContact OD1-CG 2.72Å; D343-H460 IonicContact OD1-NE2 2.98Å
344	T	84.8	Confident	79.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	108.5	-171.9	-55.4	0	0	0	0	108.9	L302 F304 I342 I346 Y459 L461	L302-T344 HydrophobicContact CD1-CG2 4.21Å; L302-T344 HydrophobicContact CD2-CG2 3.99Å; L302-T344 HydrophobicContact CG-CG2 3.92Å; F304-T344 HydrophobicContact CD1-CG2 3.87Å; F304-T344 HydrophobicContact CE1-CG2 3.87Å; I342-T344 PolarHBondContact O-N 2.95Å; I342-T344 PolarHBondContact O-OG1 3.08Å; T344-I346 HydrophobicContact CG2-CG1 4.17Å; T344-Y459 WeakPolarHBondContact CA-O 3.48Å; T344-Y459 WeakPolarHBondContact CB-O 3.48Å; T344-Y459 PolarHBondContact N-O 2.87Å; T344-Y459 PolarHBondContact O-N 3.24Å; T344-L461 HydrophobicContact CG2-CD1 3.93Å; T344-L461 WeakPolarHBondContact OG1-CD1 3.48Å
345	R	85.5	Confident	78	Confident	94 Å²	94	46.7 Å²	46.7	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125	173.9	179.1	177	167.6	170.4	-1.9	109.4	K303 L305 C456 D457 I458	K303-R345 HydrophobicContact CB-CB 4.47Å; K303-R345 PolarHBondContact N-O 3.38Å; K303-R345 PolarHBondContact O-N 2.74Å; L305-R345 HydrophobicContact CD1-CB 4.26Å; L305-R345 HydrophobicContact CD2-CB 4.43Å; L305-R345 HydrophobicContact CG-CB 4.27Å; R345-C456 VanDerWaalsContact CZ-SG 3.6Å; R345-C456 PolarHBondContact NE-SG 3.18Å; R345-D457 WeakPolarHBondContact CA-O 3.07Å; R345-I458 HydrophobicContact CB-CG1 4.39Å
346	I	89.2	Confident	76.5	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	174.4	-59.7	176.8	0	0	0	107.7	L300 E301 L302 T344 L385 F387 F452 C456 D457 Y459 V482	L300-I346 HydrophobicContact CD1-CG2 3.62Å; L300-I346 HydrophobicContact CD2-CG2 4.19Å; L300-I346 HydrophobicContact CG-CG2 3.95Å; E301-I346 WeakPolarHBondContact O-CA 3.44Å; L302-I346 HydrophobicContact CD1-CD1 4.37Å; L302-I346 HydrophobicContact CD1-CG1 4.29Å; L302-I346 HydrophobicContact CG-CG1 4.32Å; T344-I346 HydrophobicContact CG2-CG1 4.17Å; I346-L385 HydrophobicContact CB-CD1 4.3Å; I346-L385 HydrophobicContact CD1-CD1 3.65Å; I346-L385 HydrophobicContact CG2-CD1 3.97Å; I346-L385 HydrophobicContact CG2-CD2 4.16Å; I346-F387 HydrophobicContact CD1-CE1 4.31Å; I346-F387 HydrophobicContact CD1-CZ 3.77Å; I346-F452 HydrophobicContact CG2-CE2 4.21Å; I346-C456 WeakPolarHBondContact O-CA 2.99Å; I346-D457 PolarHBondContact N-O 2.98Å; I346-D457 PolarHBondContact O-N 3.11Å; I346-Y459 HydrophobicContact CB-CD2 4.07Å; I346-Y459 HydrophobicContact CB-CE2 4Å; I346-Y459 HydrophobicContact CD1-CD2 3.7Å; I346-Y459 HydrophobicContact CD1-CE2 4.13Å; I346-Y459 HydrophobicContact CD1-CG 4.37Å; I346-Y459 HydrophobicContact CG1-CD2 3.93Å; I346-Y459 HydrophobicContact CG1-CE2 4.34Å; I346-V482 HydrophobicContact CD1-CG1 4.36Å
347	Q	86.1	Confident	75.3	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.2	-177.4	179.1	167.9	-0.7	0	0	110.4	L300 E301 H349 F455 C456	L300-Q347 CarbonylContact C-O 3.57Å; E301-Q347 PolarHBondContact N-O 2.81Å; E301-Q347 PolarHBondContact O-N 3.22Å; Q347-H349 PolarHBondContact NE2-CE1 3.48Å; Q347-F455 CarbonylContact C-O 3.59Å; Q347-F455 VanDerWaalsContact CA-O 3.31Å; Q347-F455 WeakPolarHBondContact CA-O 3.48Å; Q347-C456 HydrophobicContact CB-CB 4.34Å; Q347-C456 HydrophobicContact CG-CB 4.17Å
348	F	86.7	Confident	74.1	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.8	174.2	-178.8	-113.5	0	0	0	110.4	L300 Y350 M378 F452 F455 L484	L300-F348 HydrophobicContact CD1-CB 4.15Å; L300-F348 HydrophobicContact CD1-CD2 4.33Å; F348-Y350 HydrophobicContact CD1-CD1 4.45Å; F348-M378 HydrophobicContact CD1-CE 4.49Å; F348-M378 HydrophobicContact CE1-CE 3.74Å; F348-F452 HydrophobicContact CB-CE1 3.98Å; F348-F452 HydrophobicContact CB-CZ 4Å; F348-F455 HydrophobicContact CB-CD1 4.32Å; F348-F455 AromaticContact CD1-CD1 3.84Å; F348-F455 HydrophobicContact CD1-CD1 3.84Å; F348-F455 AromaticContact CD1-CE1 3.9Å; F348-F455 HydrophobicContact CD1-CE1 3.9Å; F348-F455 HydrophobicContact CE1-CE1 4.46Å; F348-F455 PolarHBondContact N-O 2.75Å; F348-L484 HydrophobicContact CB-CD2 4.35Å; F348-L484 HydrophobicContact CD1-CD2 4.02Å; F348-L484 HydrophobicContact CD2-CD2 3.51Å; F348-L484 HydrophobicContact CE1-CD2 4.13Å; F348-L484 HydrophobicContact CE2-CD2 3.65Å; F348-L484 HydrophobicContact CG-CD2 3.69Å; F348-L484 HydrophobicContact CZ-CD2 3.95Å
349	H	82.1	Confident	73.3	Confident	20 Å²	20	61.5 Å²	61.5	9%	0.093	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	175.8	-57.6	-86.7	0	0	0	108.7	G298 K299 E301 Q347 Y362	G298-H349 CarbonylContact C-O 3.51Å; G298-H349 WeakPolarHBondContact CA-O 3.34Å; K299-H349 PolarHBondContact N-O 2.95Å; K299-H349 PolarHBondContact O-CD2 2.79Å; K299-H349 PolarHBondContact O-N 2.82Å; E301-H349 WeakPolarHBondContact CB-NE2 3.46Å; E301-H349 IonicContact OE2-CD2 3.28Å; E301-H349 IonicContact OE2-CE1 3.96Å; E301-H349 PolarHBondContact OE2-CE1 3.02Å; E301-H349 IonicContact OE2-NE2 3.88Å; E301-H349 PolarHBondContact OE2-NE2 3.12Å; Q347-H349 PolarHBondContact NE2-CE1 3.48Å; H349-Y362 AromaticContact CE1-CD1 3.32Å; H349-Y362 WeakPolarHBondContact CE1-CD1 3.48Å; H349-Y362 AromaticContact CE1-CE1 3.37Å; H349-Y362 WeakPolarHBondContact CE1-CE1 3.46Å; H349-Y362 AromaticContact ND1-CD1 3.16Å; H349-Y362 WeakPolarHBondContact ND1-CD1 3.47Å; H349-Y362 AromaticContact ND1-CE1 3.24Å; H349-Y362 WeakPolarHBondContact ND1-CE1 3.36Å
350	Y	78.9	Confident	72.7	Confident	20 Å²	20	63.3 Å²	63.3	8%	0.078	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150	176.6	63.9	-86.8	0	0	0	110.8	P296 F348 C361 M378 F455	P296-Y350 HydrophobicContact CG-CD2 4.44Å; F348-Y350 HydrophobicContact CD1-CD1 4.45Å; Y350-C361 HydrophobicContact CD1-CB 4.31Å; Y350-C361 HydrophobicContact CD2-CB 4.01Å; Y350-C361 HydrophobicContact CE1-CB 3.81Å; Y350-C361 HydrophobicContact CE2-CB 3.47Å; Y350-C361 VanDerWaalsContact CE2-CB 3.47Å; Y350-C361 HydrophobicContact CG-CB 4.39Å; Y350-C361 PolarHBondContact O-N 3.11Å; Y350-M378 HydrophobicContact CG-CE 4.47Å; Y350-F455 HydrophobicContact CD1-CD1 4.39Å; Y350-F455 HydrophobicContact CD1-CE1 4.06Å; Y350-F455 HydrophobicContact CD1-CZ 4.24Å; Y350-F455 HydrophobicContact CE1-CD1 4.44Å; Y350-F455 HydrophobicContact CE1-CD2 4.41Å; Y350-F455 HydrophobicContact CE1-CE1 4.13Å; Y350-F455 HydrophobicContact CE1-CE2 4.09Å; Y350-F455 AromaticContact CE1-CZ 3.89Å; Y350-F455 HydrophobicContact CE1-CZ 3.89Å
351	L	70	Confident	71.9	Confident	74 Å²	74	57.1 Å²	57.1	39%	0.387	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.3	178.8	-64.1	161.8	0	0	0	109.3	K297 L358 I359	K297-L351 PolarHBondContact O-N 2.87Å; L351-L358 HydrophobicContact CB-CD1 3.88Å; L351-L358 HydrophobicContact CB-CD2 4.36Å; L351-L358 HydrophobicContact CB-CG 4.06Å; L351-L358 HydrophobicContact CD1-CD2 4.06Å; L351-L358 HydrophobicContact CD2-CD2 3.87Å; L351-L358 HydrophobicContact CD2-CG 3.98Å; L351-L358 HydrophobicContact CG-CD2 4.31Å; L351-L358 HydrophobicContact CG-CG 4.44Å; L351-I359 WeakPolarHBondContact CA-O 3.42Å
352	K	67.3	Low	71.1	Confident	22 Å²	22	59.9 Å²	59.9	10%	0.096	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.4	176	-171.7	171.3	-173	156.4	0	110	L358 I359 N371 D374	K352-L358 CarbonylContact O-C 3.5Å; K352-I359 PolarHBondContact N-O 2.95Å; K352-I359 PolarHBondContact O-N 3.32Å; K352-N371 PolarHBondContact NZ-O 3.2Å; K352-D374 WeakPolarHBondContact CE-OD2 3.28Å; K352-D374 IonicContact NZ-OD2 4Å
353	F	59.7	Low	69.8	Low	145 Å²	145	59.8 Å²	59.8	64%	0.636	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	119	166.5	-80.7	-85.6	0	0	0	109.3	K357 L358	F353-K357 CarbonylContact C-O 3.57Å; F353-K357 WeakPolarHBondContact CA-O 3.35Å; F353-L358 HydrophobicContact CD1-CD1 4.2Å; F353-L358 HydrophobicContact CD2-CD1 3.77Å; F353-L358 HydrophobicContact CE1-CD1 3.96Å; F353-L358 HydrophobicContact CE2-CD1 3.51Å; F353-L358 HydrophobicContact CG-CD1 4.12Å; F353-L358 HydrophobicContact CZ-CD1 3.63Å
354	K	60.8	Low	68.3	Low	54 Å²	54	60.8 Å²	60.8	24%	0.235	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.8	171	-168.8	-174.7	-175.8	-166.4	0	108.8	N356 K357 I359 D369	K354-N356 VanDerWaalsContact C-N 3.34Å; K354-N356 PolarHBondContact O-N 3.17Å; K354-K357 PolarHBondContact N-O 2.8Å; K354-K357 WeakPolarHBondContact O-CA 3.41Å; K354-K357 WeakPolarHBondContact O-CB 3.28Å; K354-K357 PolarHBondContact O-N 2.81Å; K354-K357 VanDerWaalsContact O-O 3.09Å; K354-I359 HydrophobicContact CB-CD1 3.59Å; K354-I359 HydrophobicContact CB-CG1 4.26Å; K354-I359 HydrophobicContact CD-CD1 3.82Å; K354-I359 HydrophobicContact CG-CD1 4.26Å; K354-D369 VanDerWaalsContact NZ-CB 3.3Å; K354-D369 IonicContact NZ-OD1 3.65Å; K354-D369 IonicContact NZ-OD2 2.77Å; K354-D369 PolarHBondContact NZ-OD2 3.12Å
355	N	63.3	Low	66.4	Low	144 Å²	144	68.1 Å²	68.1	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	51.8	178.3	-60.8	-6.8	0	0	0	113.1	K357	N355-K357 PolarHBondContact O-N 3.19Å
356	N	55.9	Low	64.6	Low	141 Å²	141	68.2 Å²	68.2	75%	0.754	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	13.2	-176.4	-63.8	-2.6	0	0	0	115.4	K354	K354-N356 VanDerWaalsContact C-N 3.34Å; K354-N356 PolarHBondContact O-N 3.17Å
357	K	60.7	Low	62.7	Low	139 Å²	139	70.6 Å²	70.6	60%	0.604	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.6	174	-65.9	-171.5	177.1	-168.9	0	110.8	F353 K354 N355	F353-K357 CarbonylContact C-O 3.57Å; F353-K357 WeakPolarHBondContact CA-O 3.35Å; K354-K357 PolarHBondContact N-O 2.8Å; K354-K357 WeakPolarHBondContact O-CA 3.41Å; K354-K357 WeakPolarHBondContact O-CB 3.28Å; K354-K357 PolarHBondContact O-N 2.81Å; K354-K357 VanDerWaalsContact O-O 3.09Å; N355-K357 PolarHBondContact O-N 3.19Å
358	L	56.7	Low	60.7	Low	93 Å²	93	72.9 Å²	72.9	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118	170.8	-162.5	74.3	0	0	0	108.7	L351 K352 F353	L351-L358 HydrophobicContact CB-CD1 3.88Å; L351-L358 HydrophobicContact CB-CD2 4.36Å; L351-L358 HydrophobicContact CB-CG 4.06Å; L351-L358 HydrophobicContact CD1-CD2 4.06Å; L351-L358 HydrophobicContact CD2-CD2 3.87Å; L351-L358 HydrophobicContact CD2-CG 3.98Å; L351-L358 HydrophobicContact CG-CD2 4.31Å; L351-L358 HydrophobicContact CG-CG 4.44Å; K352-L358 CarbonylContact O-C 3.5Å; F353-L358 HydrophobicContact CD1-CD1 4.2Å; F353-L358 HydrophobicContact CD2-CD1 3.77Å; F353-L358 HydrophobicContact CE1-CD1 3.96Å; F353-L358 HydrophobicContact CE2-CD1 3.51Å; F353-L358 HydrophobicContact CG-CD1 4.12Å; F353-L358 HydrophobicContact CZ-CD1 3.63Å
359	I	60.3	Low	58.8	Low	71 Å²	71	77.4 Å²	77.4	36%	0.364	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.4	178.2	-55.6	-174.6	0	0	0	108	L351 K352 K354	L351-I359 WeakPolarHBondContact CA-O 3.42Å; K352-I359 PolarHBondContact N-O 2.95Å; K352-I359 PolarHBondContact O-N 3.32Å; K354-I359 HydrophobicContact CB-CD1 3.59Å; K354-I359 HydrophobicContact CB-CG1 4.26Å; K354-I359 HydrophobicContact CD-CD1 3.82Å; K354-I359 HydrophobicContact CG-CD1 4.26Å
360	S	60.7	Low	57.1	Low	46 Å²	46	83.6 Å²	83.6	32%	0.322	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.6	168	-173.5	0	0	0	0	108.6
361	C	62	Low	55.7	Low	13 Å²	13	86 Å²	86	9%	0.088	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.6	179.7	-65.3	0	0	0	0	110.2	Y350	Y350-C361 HydrophobicContact CD1-CB 4.31Å; Y350-C361 HydrophobicContact CD2-CB 4.01Å; Y350-C361 HydrophobicContact CE1-CB 3.81Å; Y350-C361 HydrophobicContact CE2-CB 3.47Å; Y350-C361 VanDerWaalsContact CE2-CB 3.47Å; Y350-C361 HydrophobicContact CG-CB 4.39Å; Y350-C361 PolarHBondContact O-N 3.11Å
362	Y	59.7	Low	54.7	Low	130 Å²	130	90.1 Å²	90.1	51%	0.51	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	82.4	-178.9	-63.3	-90.3	0	0	0	110.4	H349 D366	H349-Y362 AromaticContact CE1-CD1 3.32Å; H349-Y362 WeakPolarHBondContact CE1-CD1 3.48Å; H349-Y362 AromaticContact CE1-CE1 3.37Å; H349-Y362 WeakPolarHBondContact CE1-CE1 3.46Å; H349-Y362 AromaticContact ND1-CD1 3.16Å; H349-Y362 WeakPolarHBondContact ND1-CD1 3.47Å; H349-Y362 AromaticContact ND1-CE1 3.24Å; H349-Y362 WeakPolarHBondContact ND1-CE1 3.36Å; Y362-D366 PolarHBondContact N-OD2 3.34Å; Y362-D366 VanDerWaalsContact N-OD2 3.16Å
363	G	52.9	Low	53.8	Low	2 Å²	2	97.2 Å²	97.2	2%	0.021	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	55.1	-155.3	170.9	0	0	0	0	0	116.8	N365	G363-N365 PolarHBondContact O-N 2.87Å; G363-N365 VanDerWaalsContact O-N 3.07Å
364	D	51.8	Low	53.3	Low	49 Å²	49	94.4 Å²	94.4	26%	0.262	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-67.4	-10.6	-160.3	-64.3	-57.5	0	0	0	115.8	I367 H454 F455	D364-I367 WeakPolarHBondContact O-CD1 3.2Å; D364-I367 WeakPolarHBondContact O-CG1 3.28Å; D364-H454 WeakPolarHBondContact OD2-CB 3.06Å; D364-H454 IonicContact OD2-CD2 3.56Å; D364-F455 VanDerWaalsContact OD1-CD2 3.26Å; D364-F455 WeakPolarHBondContact OD1-CD2 3.33Å; D364-F455 PolarHBondContact OD2-N 2.85Å; D364-F455 VanDerWaalsContact OD2-N 3.14Å
365	N	43.5	Very low	52.8	Low	154 Å²	154	93.1 Å²	93.1	82%	0.824	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-106.5	-14	-171.3	-68.4	-32.2	0	0	0	114.7	G363 I367	G363-N365 PolarHBondContact O-N 2.87Å; G363-N365 VanDerWaalsContact O-N 3.07Å; N365-I367 PolarHBondContact O-N 3.16Å; N365-I367 VanDerWaalsContact O-N 3.12Å
366	D	48	Very low	52.2	Low	96 Å²	96	90.8 Å²	90.8	51%	0.513	48%	0.478	S	S	.	.			trans	-79.9	18.3	172.9	-79.3	-21.8	0	0	0	112.4	Y362 G368	Y362-D366 PolarHBondContact N-OD2 3.34Å; Y362-D366 VanDerWaalsContact N-OD2 3.16Å; D366-G368 PolarHBondContact O-N 3Å
367	I	48.7	Very low	52.2	Low	50 Å²	50	87 Å²	87	26%	0.256	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-1.7	-171.4	-70.1	-172	0	0	0	113.6	D364 N365 D369 I375	D364-I367 WeakPolarHBondContact O-CD1 3.2Å; D364-I367 WeakPolarHBondContact O-CG1 3.28Å; N365-I367 PolarHBondContact O-N 3.16Å; N365-I367 VanDerWaalsContact O-N 3.12Å; I367-D369 PolarHBondContact O-N 2.98Å; I367-I375 HydrophobicContact CD1-CG2 4.36Å; I367-I375 HydrophobicContact CG2-CD1 4.27Å; I367-I375 HydrophobicContact CG2-CG2 4.41Å
368	G	43.9	Very low	52.1	Low	67 Å²	67	81 Å²	81	69%	0.691	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-5.7	-172.1	0	0	0	0	0	117.5	D366	D366-G368 PolarHBondContact O-N 3Å
369	D	48.4	Very low	52.2	Low	96 Å²	96	82.6 Å²	82.6	51%	0.513	43%	0.432	S	S	.	.	S	Bend	trans	-120.4	85.4	-174.2	-82.5	-32.4	0	0	0	113.6	K354 I367 N371	K354-D369 VanDerWaalsContact NZ-CB 3.3Å; K354-D369 IonicContact NZ-OD1 3.65Å; K354-D369 IonicContact NZ-OD2 2.77Å; K354-D369 PolarHBondContact NZ-OD2 3.12Å; I367-D369 PolarHBondContact O-N 2.98Å; D369-N371 VanDerWaalsContact C-N 3.26Å; D369-N371 PolarHBondContact O-N 2.99Å
370	N	46.1	Very low	52.4	Low	150 Å²	150	84.3 Å²	84.3	80%	0.802	44%	0.442	S	S	*	.	S	Bend	trans	41.9	7.5	142.1	-65.7	-12.8	0	0	0	122.7
371	N	50	Low	52.8	Low	69 Å²	69	85 Å²	85	37%	0.369	44%	0.44	S	S	.	.			trans	-104.8	77.5	169.5	-81.6	20	0	0	0	108.9	K352 D369 E373 I375	K352-N371 PolarHBondContact NZ-O 3.2Å; D369-N371 VanDerWaalsContact C-N 3.26Å; D369-N371 PolarHBondContact O-N 2.99Å; N371-E373 PolarHBondContact O-N 2.86Å; N371-I375 WeakPolarHBondContact O-CD1 3.47Å; N371-I375 WeakPolarHBondContact O-CG1 3.38Å
372	E	48.5	Very low	53.7	Low	162 Å²	162	91.7 Å²	91.7	76%	0.757	47%	0.468	S	S	*	.	H	α-helix	trans	-55.1	-34.5	178.2	-71	-179.9	165.8	0	0	112.2	D374 I375 D376	E372-D374 PolarHBondContact O-N 3.27Å; E372-I375 PolarHBondContact O-N 2.8Å; E372-I375 VanDerWaalsContact O-N 3.16Å; E372-D376 WeakPolarHBondContact O-CB 3.33Å; E372-D376 PolarHBondContact O-N 3.2Å
373	E	48.3	Very low	55	Low	171 Å²	171	86.1 Å²	86.1	80%	0.799	45%	0.446	S	S	*	.	H	α-helix	trans	-63.1	-41.3	-173.3	-63.8	-172.9	178.7	0	0	114.9	N371 I375 F377	N371-E373 PolarHBondContact O-N 2.86Å; E373-I375 VanDerWaalsContact C-N 3.33Å; E373-F377 PolarHBondContact O-N 3.45Å
374	D	49.8	Very low	56.8	Low	85 Å²	85	88.9 Å²	88.9	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-76.1	-26.3	177.4	-63.6	-40	0	0	0	112	K352 E372	K352-D374 WeakPolarHBondContact CE-OD2 3.28Å; K352-D374 IonicContact NZ-OD2 4Å; E372-D374 PolarHBondContact O-N 3.27Å
375	I	50	Low	58.7	Low	27 Å²	27	86.5 Å²	86.5	14%	0.138	45%	0.445	C	S	.	.	H	α-helix	trans	-78.1	-41.1	-177.6	-62.9	166.2	0	0	0	109.7	I367 N371 E372 E373 F377 M378 K379	I367-I375 HydrophobicContact CD1-CG2 4.36Å; I367-I375 HydrophobicContact CG2-CD1 4.27Å; I367-I375 HydrophobicContact CG2-CG2 4.41Å; N371-I375 WeakPolarHBondContact O-CD1 3.47Å; N371-I375 WeakPolarHBondContact O-CG1 3.38Å; E372-I375 PolarHBondContact O-N 2.8Å; E372-I375 VanDerWaalsContact O-N 3.16Å; E373-I375 VanDerWaalsContact C-N 3.33Å; I375-F377 VanDerWaalsContact C-N 3.31Å; I375-M378 PolarHBondContact O-N 3.32Å; I375-K379 HydrophobicContact CG2-CD 4.25Å; I375-K379 WeakPolarHBondContact O-CG 3.4Å; I375-K379 PolarHBondContact O-N 3.15Å; I375-K379 VanDerWaalsContact O-N 3.16Å
376	D	50.3	Low	60.9	Low	96 Å²	96	80.6 Å²	80.6	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-69.2	-32.9	176.2	-140.7	18.3	0	0	0	110.7	E372 N380	E372-D376 WeakPolarHBondContact O-CB 3.33Å; E372-D376 PolarHBondContact O-N 3.2Å; D376-N380 VanDerWaalsContact CG-ND2 3.34Å; D376-N380 VanDerWaalsContact O-CB 3.22Å; D376-N380 WeakPolarHBondContact O-CB 3.01Å; D376-N380 PolarHBondContact O-N 3.12Å; D376-N380 VanDerWaalsContact O-N 3.16Å; D376-N380 PolarHBondContact O-ND2 3.05Å; D376-N380 PolarHBondContact OD1-ND2 2.74Å; D376-N380 VanDerWaalsContact OD1-ND2 3.08Å
377	F	55	Low	62.9	Low	62 Å²	62	76.1 Å²	76.1	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-57	-54.6	172.8	-172.7	-95.2	0	0	0	110.9	L295 E373 I375 N380 H381	L295-F377 HydrophobicContact CD2-CE1 3.71Å; L295-F377 HydrophobicContact CD2-CZ 4.25Å; L295-F377 HydrophobicContact CG-CE1 3.81Å; L295-F377 HydrophobicContact CG-CZ 3.99Å; E373-F377 PolarHBondContact O-N 3.45Å; I375-F377 VanDerWaalsContact C-N 3.31Å; F377-N380 PolarHBondContact O-N 2.94Å; F377-H381 AromaticContact CD2-CE1 3.47Å; F377-H381 VanDerWaalsContact CD2-CE1 3.47Å; F377-H381 WeakPolarHBondContact CD2-CE1 3.29Å; F377-H381 AromaticContact CE2-CE1 3.23Å; F377-H381 WeakPolarHBondContact CE2-CE1 3.23Å; F377-H381 AromaticContact CE2-NE2 3.56Å; F377-H381 AromaticContact CG-CE1 3.98Å; F377-H381 AromaticContact CZ-CE1 3.54Å; F377-H381 AromaticContact CZ-NE2 3.57Å; F377-H381 PolarHBondContact O-N 3.49Å; F377-H381 PolarHBondContact O-ND1 2.79Å
378	M	58.4	Low	64.8	Low	12 Å²	12	76.2 Å²	76.2	6%	0.059	39%	0.386	C	S	.	.	H	α-helix	trans	-75.3	-31.3	-174.4	-63.5	-75.2	-127.6	0	0	114.1	P296 F348 Y350 I375 N380 F383 F455	P296-M378 HydrophobicContact CG-CE 3.33Å; P296-M378 HydrophobicContact CG-SD 4.39Å; F348-M378 HydrophobicContact CD1-CE 4.49Å; F348-M378 HydrophobicContact CE1-CE 3.74Å; Y350-M378 HydrophobicContact CG-CE 4.47Å; I375-M378 PolarHBondContact O-N 3.32Å; M378-N380 VanDerWaalsContact C-N 3.29Å; M378-N380 PolarHBondContact O-N 3.35Å; M378-F383 HydrophobicContact CB-CE2 4.34Å; M378-F383 WeakPolarHBondContact O-CE2 3.29Å; M378-F383 HydrophobicContact SD-CE1 4.49Å; M378-F383 HydrophobicContact SD-CE2 3.82Å; M378-F383 HydrophobicContact SD-CZ 3.47Å; M378-F383 WeakPolarHBondContact SD-CZ 2.9Å; M378-F455 HydrophobicContact CB-CE1 4.25Å; M378-F455 HydrophobicContact CB-CE2 4.16Å; M378-F455 HydrophobicContact CB-CZ 3.39Å; M378-F455 HydrophobicContact CE-CE1 3.91Å; M378-F455 HydrophobicContact CE-CZ 4.15Å; M378-F455 HydrophobicContact CG-CE1 4.34Å; M378-F455 HydrophobicContact CG-CZ 3.71Å; M378-F455 HydrophobicContact SD-CE1 4.43Å; M378-F455 HydrophobicContact SD-CZ 4.37Å
379	K	60	Low	66.6	Low	127 Å²	127	73.1 Å²	73.1	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-69.3	-28.1	176.5	-75.2	-176.5	177.7	-178.2	0	113.2	I375	I375-K379 HydrophobicContact CG2-CD 4.25Å; I375-K379 WeakPolarHBondContact O-CG 3.4Å; I375-K379 PolarHBondContact O-N 3.15Å; I375-K379 VanDerWaalsContact O-N 3.16Å
380	N	63.3	Low	68.3	Low	107 Å²	107	70.2 Å²	70.2	57%	0.572	34%	0.336	S	S	*	.	H	α-helix	trans	-89.9	-11.6	-177.8	-67.1	-33.4	0	0	0	113.7	D376 F377 M378	D376-N380 VanDerWaalsContact CG-ND2 3.34Å; D376-N380 VanDerWaalsContact O-CB 3.22Å; D376-N380 WeakPolarHBondContact O-CB 3.01Å; D376-N380 PolarHBondContact O-N 3.12Å; D376-N380 VanDerWaalsContact O-N 3.16Å; D376-N380 PolarHBondContact O-ND2 3.05Å; D376-N380 PolarHBondContact OD1-ND2 2.74Å; D376-N380 VanDerWaalsContact OD1-ND2 3.08Å; F377-N380 PolarHBondContact O-N 2.94Å; M378-N380 VanDerWaalsContact C-N 3.29Å; M378-N380 PolarHBondContact O-N 3.35Å
381	H	70	Confident	69.9	Low	60 Å²	60	63.2 Å²	63.2	28%	0.278	30%	0.299	S	S	.	.	S	Bend	trans	-96.1	134.5	177.2	-72.4	69.3	0	0	0	110.8	F377 F383	F377-H381 AromaticContact CD2-CE1 3.47Å; F377-H381 VanDerWaalsContact CD2-CE1 3.47Å; F377-H381 WeakPolarHBondContact CD2-CE1 3.29Å; F377-H381 AromaticContact CE2-CE1 3.23Å; F377-H381 WeakPolarHBondContact CE2-CE1 3.23Å; F377-H381 AromaticContact CE2-NE2 3.56Å; F377-H381 AromaticContact CG-CE1 3.98Å; F377-H381 AromaticContact CZ-CE1 3.54Å; F377-H381 AromaticContact CZ-NE2 3.57Å; F377-H381 PolarHBondContact O-N 3.49Å; F377-H381 PolarHBondContact O-ND1 2.79Å; H381-F383 HydrophobicContact CB-CE1 4.2Å; H381-F383 HydrophobicContact CB-CE2 3.89Å; H381-F383 HydrophobicContact CB-CZ 3.64Å; H381-F383 PolarHBondContact O-N 2.63Å
382	K	81.1	Confident	71	Confident	154 Å²	154	64.8 Å²	64.8	67%	0.67	31%	0.306	S	S	*	.			trans	-82.5	115	170.5	-62.8	174.3	-178.9	177.1	0	109.5	E487	K382-E487 HydrophobicContact CB-CG 3.95Å; K382-E487 VanDerWaalsContact CB-OE1 3.29Å; K382-E487 WeakPolarHBondContact CB-OE1 3.5Å; K382-E487 WeakPolarHBondContact CG-OE1 3.49Å; K382-E487 PolarHBondContact N-OE1 3.25Å; K382-E487 VanDerWaalsContact O-CG 3.24Å; K382-E487 WeakPolarHBondContact O-CG 3.31Å
383	F	86.9	Confident	71.9	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.053	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.7	170.5	-59.2	-71.5	0	0	0	110.8	L295 M378 H381 F452 L484 I485 D486 L492	L295-F383 HydrophobicContact CD2-CE1 4.16Å; L295-F383 HydrophobicContact CD2-CZ 4.48Å; M378-F383 HydrophobicContact CB-CE2 4.34Å; M378-F383 WeakPolarHBondContact O-CE2 3.29Å; M378-F383 HydrophobicContact SD-CE1 4.49Å; M378-F383 HydrophobicContact SD-CE2 3.82Å; M378-F383 HydrophobicContact SD-CZ 3.47Å; M378-F383 WeakPolarHBondContact SD-CZ 2.9Å; H381-F383 HydrophobicContact CB-CE1 4.2Å; H381-F383 HydrophobicContact CB-CE2 3.89Å; H381-F383 HydrophobicContact CB-CZ 3.64Å; H381-F383 PolarHBondContact O-N 2.63Å; F383-F452 HydrophobicContact CB-CB 4.07Å; F383-F452 HydrophobicContact CB-CD1 4.22Å; F383-F452 PolarHBondContact O-N 3.35Å; F383-L484 HydrophobicContact CB-CD1 3.87Å; F383-L484 HydrophobicContact CG-CD1 4.48Å; F383-I485 WeakPolarHBondContact CA-O 3.19Å; F383-D486 HydrophobicContact CD1-CB 4.38Å; F383-D486 HydrophobicContact CE1-CB 4.29Å; F383-L492 HydrophobicContact CD1-CD1 3.69Å; F383-L492 HydrophobicContact CE1-CD1 3.48Å; F383-L492 VanDerWaalsContact CE1-CD1 3.48Å
384	K	90.4	Very high	72.6	Confident	60 Å²	60	57.6 Å²	57.6	26%	0.261	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.3	170.8	-62.4	179.8	178.1	178.9	0	110.7	E449 I450 D451 I485	K384-E449 HydrophobicContact CD-CB 4.4Å; K384-I450 CarbonylContact C-O 3.55Å; K384-I450 VanDerWaalsContact CA-O 3.25Å; K384-I450 WeakPolarHBondContact CA-O 3.43Å; K384-D451 VanDerWaalsContact CE-OD1 3.31Å; K384-D451 WeakPolarHBondContact CE-OD1 3.17Å; K384-I485 HydrophobicContact CB-CD1 4.03Å; K384-I485 HydrophobicContact CB-CG1 3.74Å; K384-I485 PolarHBondContact N-O 3.34Å; K384-I485 WeakPolarHBondContact O-CG1 3.48Å; K384-I485 PolarHBondContact O-N 2.67Å
385	L	91.4	Very high	73.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.4	164.2	-66.2	172.8	0	0	0	108.8	L300 I346 F387 E449 I450 F452 Y459 V482 T483 L484	L300-L385 HydrophobicContact CD1-CD2 4.29Å; L300-L385 HydrophobicContact CD2-CD2 4.1Å; I346-L385 HydrophobicContact CB-CD1 4.3Å; I346-L385 HydrophobicContact CD1-CD1 3.65Å; I346-L385 HydrophobicContact CG2-CD1 3.97Å; I346-L385 HydrophobicContact CG2-CD2 4.16Å; L385-F387 HydrophobicContact CB-CD2 4.44Å; L385-F387 HydrophobicContact CB-CE2 3.82Å; L385-F387 HydrophobicContact CD1-CE2 4.46Å; L385-E449 CarbonylContact O-C 3.55Å; L385-E449 VanDerWaalsContact O-CA 3.28Å; L385-E449 WeakPolarHBondContact O-CA 3.48Å; L385-I450 HydrophobicContact CB-CG2 3.86Å; L385-I450 HydrophobicContact CD1-CG2 4.43Å; L385-I450 PolarHBondContact N-O 2.86Å; L385-I450 PolarHBondContact O-N 3.16Å; L385-F452 HydrophobicContact CD1-CD2 3.61Å; L385-F452 HydrophobicContact CD1-CE2 4.19Å; L385-F452 HydrophobicContact CD1-CG 4.49Å; L385-F452 HydrophobicContact CD2-CD2 4.03Å; L385-F452 HydrophobicContact CD2-CE2 4.46Å; L385-F452 HydrophobicContact CD2-CG 4.42Å; L385-F452 HydrophobicContact CG-CB 4.09Å; L385-F452 HydrophobicContact CG-CD2 3.7Å; L385-F452 HydrophobicContact CG-CE2 4.49Å; L385-F452 HydrophobicContact CG-CG 4.14Å; L385-Y459 HydrophobicContact CD1-CD2 4.3Å; L385-Y459 HydrophobicContact CD1-CE1 4.22Å; L385-Y459 HydrophobicContact CD1-CE2 3.62Å; L385-V482 HydrophobicContact CB-CG1 4.42Å; L385-V482 HydrophobicContact CD2-CG1 4.1Å; L385-T483 CarbonylContact C-O 3.59Å; L385-T483 WeakPolarHBondContact CA-O 3.43Å; L385-L484 HydrophobicContact CD2-CB 4.47Å; L385-L484 HydrophobicContact CD2-CD1 4.02Å
386	R	90.8	Very high	74	Confident	30 Å²	30	56.9 Å²	56.9	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.6	172.9	-178	-179.4	-72.4	150.9	-0.5	109.5	V447 M448 E449 V482 T483 I485 D489	R386-V447 HydrophobicContact CG-CB 3.85Å; R386-V447 HydrophobicContact CG-CG1 4.16Å; R386-V447 HydrophobicContact CG-CG2 4.04Å; R386-M448 CarbonylContact C-O 3.59Å; R386-M448 WeakPolarHBondContact CA-O 3.46Å; R386-E449 HydrophobicContact CB-CG 4.28Å; R386-E449 HydrophobicContact CG-CG 4.26Å; R386-E449 IonicContact CZ-OE1 2.7Å; R386-E449 VanDerWaalsContact CZ-OE1 3.32Å; R386-E449 IonicContact NE-OE1 3.84Å; R386-E449 PolarHBondContact NE-OE1 2.91Å; R386-E449 IonicContact NH2-OE1 3.38Å; R386-E449 PolarHBondContact NH2-OE1 2.96Å; R386-V482 CarbonylContact O-C 3.56Å; R386-V482 WeakPolarHBondContact O-CA 3.45Å; R386-T483 PolarHBondContact N-O 3.5Å; R386-T483 PolarHBondContact O-N 2.89Å; R386-I485 HydrophobicContact CB-CD1 4.29Å; R386-I485 VanDerWaalsContact NH2-CD1 3.28Å; R386-D489 IonicContact CZ-OD1 3.68Å; R386-D489 IonicContact NH2-OD1 3.59Å; R386-D489 PolarHBondContact NH2-OD1 2.91Å
387	F	89.7	Confident	74.5	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.7	172.8	-64.8	-101.5	0	0	0	109.8	I346 L385 I422 V447 M448 I450 L461 I480 T481 V482	I346-F387 HydrophobicContact CD1-CE1 4.31Å; I346-F387 HydrophobicContact CD1-CZ 3.77Å; L385-F387 HydrophobicContact CB-CD2 4.44Å; L385-F387 HydrophobicContact CB-CE2 3.82Å; L385-F387 HydrophobicContact CD1-CE2 4.46Å; F387-I422 HydrophobicContact CB-CD1 3.82Å; F387-I422 HydrophobicContact CD1-CD1 3.71Å; F387-I422 HydrophobicContact CG-CD1 4.11Å; F387-V447 WeakPolarHBondContact O-CA 3.36Å; F387-M448 HydrophobicContact CB-CB 4.26Å; F387-M448 HydrophobicContact CD2-CG 4.32Å; F387-M448 HydrophobicContact CD2-SD 4.12Å; F387-M448 HydrophobicContact CG-SD 4.48Å; F387-M448 PolarHBondContact N-O 2.69Å; F387-M448 PolarHBondContact O-N 2.81Å; F387-I450 HydrophobicContact CD2-CG2 4.47Å; F387-I450 HydrophobicContact CE2-CG2 3.79Å; F387-L461 HydrophobicContact CE1-CD1 4.04Å; F387-L461 HydrophobicContact CE1-CD2 4.46Å; F387-L461 HydrophobicContact CZ-CD2 4.43Å; F387-I480 HydrophobicContact CD1-CG2 4.16Å; F387-T481 CarbonylContact C-O 3.58Å; F387-T481 WeakPolarHBondContact CA-O 3.43Å; F387-V482 HydrophobicContact CD1-CG1 4.33Å; F387-V482 HydrophobicContact CD1-CG2 3.62Å; F387-V482 HydrophobicContact CE1-CB 4.45Å; F387-V482 HydrophobicContact CE1-CG1 4Å; F387-V482 HydrophobicContact CE1-CG2 3.61Å; F387-V482 HydrophobicContact CE2-CG1 4.43Å; F387-V482 HydrophobicContact CZ-CG1 4.05Å; F387-V482 HydrophobicContact CZ-CG2 4.47Å
388	K	87.4	Confident	74.3	Confident	53 Å²	53	53 Å²	53	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.1	-178.7	-177.4	-177.7	-174.2	172.8	0	110.4	D443 Y445 V447 I480 T481	K388-D443 IonicContact NZ-OD2 3.32Å; K388-D443 PolarHBondContact NZ-OD2 2.93Å; K388-Y445 HydrophobicContact CD-CD1 4.37Å; K388-Y445 HydrophobicContact CD-CG 4.36Å; K388-Y445 VanDerWaalsContact CE-CD2 3.44Å; K388-Y445 HydrophobicContact CG-CD1 4.06Å; K388-Y445 HydrophobicContact CG-CG 4.31Å; K388-V447 HydrophobicContact CB-CG1 4Å; K388-V447 HydrophobicContact CG-CG1 4.05Å; K388-I480 WeakPolarHBondContact O-CA 3.31Å; K388-T481 PolarHBondContact N-O 2.87Å; K388-T481 PolarHBondContact O-N 3.08Å
389	P	83.7	Confident	73.8	Confident	2 Å²	2	54 Å²	54	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.5	173.6	30.9	-31.5	0	0	0	111.7	C397 L419 F421 Y445 L446 H479 I480	P389-C397 HydrophobicContact CB-CB 3.97Å; P389-C397 HydrophobicContact CG-CB 4.22Å; P389-L419 HydrophobicContact CG-CD1 4.5Å; P389-L419 HydrophobicContact CG-CD2 4.08Å; P389-F421 HydrophobicContact CB-CB 4.15Å; P389-F421 HydrophobicContact CB-CD2 4.09Å; P389-F421 HydrophobicContact CB-CG 4.02Å; P389-F421 HydrophobicContact CG-CB 4.29Å; P389-F421 HydrophobicContact CG-CD2 3.75Å; P389-F421 HydrophobicContact CG-CE2 4.42Å; P389-F421 HydrophobicContact CG-CG 4.13Å; P389-Y445 WeakPolarHBondContact O-CD1 3.47Å; P389-L446 WeakPolarHBondContact CD-O 3.45Å; P389-H479 CarbonylContact C-O 3.54Å; P389-H479 VanDerWaalsContact CA-O 3.3Å; P389-H479 WeakPolarHBondContact CA-O 2.95Å; P389-I480 HydrophobicContact CB-CG1 4.29Å
390	F	82.8	Confident	73.1	Confident	34 Å²	34	50.2 Å²	50.2	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	172.3	177.3	71.4	-78.7	0	0	0	111.7	C397 Y445 H479 T481 E496	F390-C397 VanDerWaalsContact CA-SG 3.58Å; F390-Y445 HydrophobicContact CB-CD1 4.38Å; F390-Y445 HydrophobicContact CB-CE1 3.59Å; F390-H479 HydrophobicContact CD1-CB 3.8Å; F390-H479 HydrophobicContact CD2-CB 4.1Å; F390-H479 HydrophobicContact CE1-CB 3.37Å; F390-H479 HydrophobicContact CE2-CB 3.73Å; F390-H479 HydrophobicContact CG-CB 4.14Å; F390-H479 HydrophobicContact CZ-CB 3.35Å; F390-H479 PolarHBondContact N-O 2.82Å; F390-H479 PolarHBondContact O-N 2.79Å; F390-T481 WeakPolarHBondContact CE1-OG1 3.43Å; F390-E496 HydrophobicContact CE1-CG 4.19Å; F390-E496 HydrophobicContact CZ-CG 4.13Å
391	T	80.2	Confident	72	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155	171.9	62.7	0	0	0	0	110.7	F393 G394 G395	T391-F393 PolarHBondContact O-N 2.81Å; T391-G394 PolarHBondContact O-N 3.03Å; T391-G395 PolarHBondContact N-O 2.73Å; T391-G395 VanDerWaalsContact OG1-CA 3.3Å; T391-G395 WeakPolarHBondContact OG1-CA 3.46Å; T391-G395 PolarHBondContact OG1-N 3.26Å; T391-G395 VanDerWaalsContact OG1-N 3.11Å; T391-G395 PolarHBondContact OG1-O 2.62Å
392	I	72.4	Confident	70.6	Confident	102 Å²	102	49.7 Å²	49.7	52%	0.523	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.5	-179.1	63.8	178.1	0	0	0	115.4	G394 H479	I392-G394 VanDerWaalsContact C-N 3.31Å; I392-H479 VanDerWaalsContact CG2-CD2 3.48Å; I392-H479 WeakPolarHBondContact CG2-CD2 3.44Å; I392-H479 WeakPolarHBondContact CG2-NE2 3.47Å
393	F	68.1	Low	68.5	Low	134 Å²	134	46.5 Å²	46.5	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	11.6	177.2	-61.1	-89.7	0	0	0	112.7	T391 G395 K476	T391-F393 PolarHBondContact O-N 2.81Å; F393-G395 PolarHBondContact O-N 3.48Å; F393-K476 HydrophobicContact CD2-CD 3.45Å; F393-K476 VanDerWaalsContact CD2-CD 3.45Å; F393-K476 HydrophobicContact CE2-CD 3.43Å; F393-K476 VanDerWaalsContact CE2-CD 3.43Å; F393-K476 HydrophobicContact CE2-CG 4.29Å
394	G	63.9	Low	65.9	Low	47 Å²	47	52.5 Å²	52.5	49%	0.485	30%	0.295	S	S	.	.			trans	70.3	14.5	-174	0	0	0	0	0	113.6	T391 I392 Y445	T391-G394 PolarHBondContact O-N 3.03Å; I392-G394 VanDerWaalsContact C-N 3.31Å; G394-Y445 PolarHBondContact O-OH 3.22Å
395	G	65.3	Low	63.4	Low	29 Å²	29	54.4 Å²	54.4	30%	0.299	31%	0.308	S	S	.	.			trans	-72.7	129.3	177.8	0	0	0	0	0	110.7	T391 F393 C397	T391-G395 PolarHBondContact N-O 2.73Å; T391-G395 VanDerWaalsContact OG1-CA 3.3Å; T391-G395 WeakPolarHBondContact OG1-CA 3.46Å; T391-G395 PolarHBondContact OG1-N 3.26Å; T391-G395 VanDerWaalsContact OG1-N 3.11Å; T391-G395 PolarHBondContact OG1-O 2.62Å; F393-G395 PolarHBondContact O-N 3.48Å; G395-C397 PolarHBondContact O-N 2.67Å
396	I	63.5	Low	60.6	Low	69 Å²	69	59.9 Å²	59.9	35%	0.354	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-61	122.5	171.3	-63.7	163.3	0	0	0	108.4	T398 G444 Y445	I396-T398 HydrophobicContact CG2-CG2 4.36Å; I396-T398 PolarHBondContact O-N 3.45Å; I396-T398 VanDerWaalsContact O-N 3.08Å; I396-G444 VanDerWaalsContact CG2-O 3.28Å; I396-G444 WeakPolarHBondContact CG2-O 3.22Å; I396-Y445 HydrophobicContact CG1-CD1 4.37Å; I396-Y445 HydrophobicContact CG1-CD2 4.19Å; I396-Y445 HydrophobicContact CG1-CE1 4.21Å; I396-Y445 HydrophobicContact CG1-CE2 4.09Å; I396-Y445 HydrophobicContact CG1-CG 4.38Å
397	C	59.8	Low	58.1	Low	2 Å²	2	62.7 Å²	62.7	1%	0.014	36%	0.359	C	S	.	.			trans	-73.8	94.2	168.7	-75	0	0	0	0	108.2	P389 F390 G395 F421	P389-C397 HydrophobicContact CB-CB 3.97Å; P389-C397 HydrophobicContact CG-CB 4.22Å; F390-C397 VanDerWaalsContact CA-SG 3.58Å; G395-C397 PolarHBondContact O-N 2.67Å; C397-F421 HydrophobicContact CB-CD2 4.33Å; C397-F421 HydrophobicContact CB-CE1 4.06Å; C397-F421 HydrophobicContact CB-CE2 3.68Å; C397-F421 HydrophobicContact CB-CZ 3.54Å; C397-F421 WeakPolarHBondContact O-CE2 3.49Å
398	T	51.4	Low	55.5	Low	74 Å²	74	71.6 Å²	71.6	45%	0.454	40%	0.4	S	S	.	.			trans	-69.1	126.4	173.4	38.7	0	0	0	0	109.4	I396 F421 P471	I396-T398 HydrophobicContact CG2-CG2 4.36Å; I396-T398 PolarHBondContact O-N 3.45Å; I396-T398 VanDerWaalsContact O-N 3.08Å; T398-F421 WeakPolarHBondContact O-CZ 3.39Å; T398-P471 WeakPolarHBondContact O-CB 3.22Å; T398-P471 WeakPolarHBondContact O-CG 3.43Å; T398-P471 WeakPolarHBondContact OG1-CB 3.07Å
399	P	46.9	Very low	53.1	Low	32 Å²	32	73 Å²	73	21%	0.208	41%	0.41	C	S	.	.			trans	-67.1	136.6	174	31.9	-39.7	0	0	0	109.8	I401 L419 F421 L446	P399-I401 VanDerWaalsContact C-N 3.32Å; P399-I401 PolarHBondContact O-N 2.91Å; P399-I401 VanDerWaalsContact O-N 3.13Å; P399-L419 HydrophobicContact CB-CD2 4.43Å; P399-F421 HydrophobicContact CB-CE2 4.27Å; P399-L446 HydrophobicContact CB-CD2 4.24Å; P399-L446 HydrophobicContact CG-CD2 3.58Å
400	A	46.7	Very low	50.8	Low	48 Å²	48	78.6 Å²	78.6	40%	0.397	45%	0.446	S	S	.	.			trans	-82.9	77.4	168.2	0	0	0	0	0	109.5	G402 C420 P471	A400-G402 PolarHBondContact O-N 3.04Å; A400-C420 PolarHBondContact N-SG 3Å; A400-C420 PolarHBondContact O-SG 3.12Å; A400-P471 HydrophobicContact CB-CG 3.98Å
401	I	39.7	Very low	48.6	Very low	120 Å²	120	84.3 Å²	84.3	62%	0.615	48%	0.478	S	S	*	.	S	Bend	trans	-32.9	113.9	-178.7	-59.1	169.7	0	0	0	111.3	P399	P399-I401 VanDerWaalsContact C-N 3.32Å; P399-I401 PolarHBondContact O-N 2.91Å; P399-I401 VanDerWaalsContact O-N 3.13Å
402	G	40.6	Very low	46.6	Very low	37 Å²	37	88.1 Å²	88.1	38%	0.381	50%	0.498	S	S	.	.			trans	80.1	91.8	172.4	0	0	0	0	0	116	A400 N404	A400-G402 PolarHBondContact O-N 3.04Å; G402-N404 PolarHBondContact O-N 3.33Å
403	Y	36.4	Very low	45.1	Very low	86 Å²	86	85.2 Å²	85.2	34%	0.337	48%	0.483	S	S	.	.			trans	-68	110.4	146.7	-96.2	-75.7	0	0	0	107.8	R338 D405 P464	R338-Y403 PolarHBondContact NE-OH 2.78Å; R338-Y403 VanDerWaalsContact NH2-CD1 3.33Å; R338-Y403 VanDerWaalsContact NH2-CZ 3.34Å; Y403-D405 PolarHBondContact O-N 2.86Å; Y403-P464 HydrophobicContact CD2-CB 4.05Å; Y403-P464 HydrophobicContact CD2-CG 4.49Å; Y403-P464 HydrophobicContact CE2-CB 4.32Å; Y403-P464 WeakPolarHBondContact CE2-O 3.46Å; Y403-P464 VanDerWaalsContact CZ-O 3.25Å; Y403-P464 PolarHBondContact OH-O 2.99Å
404	N	33.9	Very low	43.7	Very low	138 Å²	138	84.5 Å²	84.5	74%	0.738	49%	0.49	S	S	*	.			trans	-76.8	6.8	170.7	-79.9	-40.6	0	0	0	113.1	G402 P406	G402-N404 PolarHBondContact O-N 3.33Å; N404-P406 WeakPolarHBondContact O-CD 3.42Å
405	D	36.6	Very low	42.6	Very low	100 Å²	100	90.2 Å²	90.2	54%	0.535	50%	0.501	S	S	.	.	S	Bend	trans	-73.2	126.1	170	-84.3	-33.4	0	0	0	108.2	R338 Y403 M407	R338-D405 IonicContact NH2-OD2 2.73Å; Y403-D405 PolarHBondContact O-N 2.86Å; D405-M407 PolarHBondContact O-N 3.46Å
406	P	33.7	Very low	41.4	Very low	115 Å²	115	96.2 Å²	96.2	75%	0.747	52%	0.522	S	S	*	.			trans	-67.4	81.5	171.7	29	-32.5	0	0	0	108.5	N404 Q408	N404-P406 WeakPolarHBondContact O-CD 3.42Å; P406-Q408 PolarHBondContact O-N 2.87Å
407	M	36.8	Very low	40.3	Very low	90 Å²	90	98.8 Å²	98.8	44%	0.443	53%	0.532	S	S	.	.			trans	-56.3	125.6	154.7	-76.7	-131.8	64.6	0	0	106.3	G339 D405 I409 V462	G339-M407 WeakPolarHBondContact O-CE 3.37Å; D405-M407 PolarHBondContact O-N 3.46Å; M407-I409 PolarHBondContact O-N 2.88Å; M407-V462 HydrophobicContact SD-CG1 4.24Å
408	Q	35.5	Very low	39.7	Very low	187 Å²	187	101.1 Å²	101.1	87%	0.874	54%	0.543	S	S	*	.	S	Bend	trans	-64.7	44.2	-165.3	-65.1	176	-2.7	0	0	115.5	P406	P406-Q408 PolarHBondContact O-N 2.87Å
409	I	37.4	Very low	39.6	Very low	84 Å²	84	97.7 Å²	97.7	43%	0.431	52%	0.522	S	S	.	.			trans	-129.4	85.1	166.5	-52	177.8	0	0	0	106.2	M407 N411 I425	M407-I409 PolarHBondContact O-N 2.88Å; I409-N411 PolarHBondContact O-N 2.9Å; I409-I425 HydrophobicContact CD1-CD1 3.81Å; I409-I425 HydrophobicContact CD1-CG1 4.39Å; I409-I425 HydrophobicContact CD1-CG2 4.13Å
410	P	34.9	Very low	39.8	Very low	118 Å²	118	96.6 Å²	96.6	77%	0.766	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-4	-163.7	-23.6	34.1	0	0	0	117.4
411	N	36.7	Very low	40.3	Very low	154 Å²	154	94.4 Å²	94.4	82%	0.824	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.2	9.3	-160	-89.6	-23.5	0	0	0	119.9	I409	I409-N411 PolarHBondContact O-N 2.9Å
412	L	38.9	Very low	41.3	Very low	84 Å²	84	88.7 Å²	88.7	44%	0.44	47%	0.467	S	S	.	.	S	Bend	trans	-102.4	-13.9	-174	-124.5	90.2	0	0	0	118.3
413	L	39.6	Very low	42.4	Very low	42 Å²	42	88.5 Å²	88.5	22%	0.22	46%	0.456	C	S	.	.	S	Bend	trans	-136.4	116.9	-173.1	-66.3	169.4	0	0	0	111.8	K415 Q418 Q423	L413-K415 PolarHBondContact O-N 2.79Å; L413-Q418 HydrophobicContact CD1-CG 4.47Å; L413-Q423 HydrophobicContact CD1-CG 3.74Å
414	T	38.9	Very low	43.5	Very low	119 Å²	119	84.7 Å²	84.7	73%	0.73	44%	0.443	S	S	*	.			trans	-53.1	126.6	170.8	42.4	0	0	0	0	109.7	Q416	T414-Q416 PolarHBondContact O-N 2.82Å
415	K	42.2	Very low	44.6	Very low	166 Å²	166	79.4 Å²	79.4	72%	0.722	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-6.6	-170.2	-71.1	-174.8	174.2	-172.1	0	117.2	L413	L413-K415 PolarHBondContact O-N 2.79Å
416	Q	39.5	Very low	45.6	Very low	155 Å²	155	77.6 Å²	77.6	72%	0.724	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-33	-157.4	-90.8	168.1	-30.7	0	0	116.3	T414	T414-Q416 PolarHBondContact O-N 2.82Å
417	E	40	Very low	46.3	Very low	124 Å²	124	77.8 Å²	77.8	58%	0.579	40%	0.397	S	S	*	.			trans	-150.1	36.8	-172	-63	-176.6	157.9	0	0	114.6	L419 Y438	E417-L419 PolarHBondContact O-N 2.76Å; E417-Y438 WeakPolarHBondContact O-CB 3.28Å; E417-Y438 VanDerWaalsContact O-CD2 3.3Å; E417-Y438 WeakPolarHBondContact O-CD2 3.47Å
418	Q	46.8	Very low	47	Very low	51 Å²	51	78.1 Å²	78.1	24%	0.238	40%	0.4	C	S	.	.			trans	-65.3	132.4	171.9	-70	178.6	-4.4	0	0	110.8	L413 C420 Y438	L413-Q418 HydrophobicContact CD1-CG 4.47Å; Q418-C420 PolarHBondContact O-N 2.95Å; Q418-C420 VanDerWaalsContact O-N 3.12Å; Q418-Y438 HydrophobicContact CG-CE2 4.38Å
419	L	49	Very low	47.4	Very low	2 Å²	2	75.5 Å²	75.5	1%	0.01	40%	0.397	C	S	.	.			trans	-58.7	117.9	159.2	-77.1	170.1	0	0	0	108.2	P389 P399 E417 F421 I422 Y438 L446 M448	P389-L419 HydrophobicContact CG-CD1 4.5Å; P389-L419 HydrophobicContact CG-CD2 4.08Å; P399-L419 HydrophobicContact CB-CD2 4.43Å; E417-L419 PolarHBondContact O-N 2.76Å; L419-F421 HydrophobicContact CB-CD2 4.44Å; L419-F421 HydrophobicContact CD2-CD2 3.96Å; L419-F421 PolarHBondContact O-N 2.8Å; L419-I422 PolarHBondContact O-N 2.99Å; L419-Y438 HydrophobicContact CB-CD1 4.17Å; L419-Y438 HydrophobicContact CB-CE1 3.71Å; L419-Y438 HydrophobicContact CD1-CD1 4.02Å; L419-Y438 HydrophobicContact CD1-CE1 4.02Å; L419-Y438 HydrophobicContact CG-CD1 3.7Å; L419-Y438 HydrophobicContact CG-CE1 3.75Å; L419-L446 HydrophobicContact CD2-CB 3.82Å; L419-L446 HydrophobicContact CD2-CD2 3.5Å; L419-L446 HydrophobicContact CD2-CG 3.74Å; L419-L446 WeakPolarHBondContact CD2-O 3.47Å; L419-L446 HydrophobicContact CG-CD2 3.94Å; L419-L446 HydrophobicContact CG-CG 4.29Å; L419-M448 HydrophobicContact CD1-CB 3.57Å
420	C	51.7	Low	47.8	Very low	9 Å²	9	77.2 Å²	77.2	6%	0.061	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	6.3	172	-55.8	0	0	0	0	113.3	A400 Q418 P464 F465	A400-C420 PolarHBondContact N-SG 3Å; A400-C420 PolarHBondContact O-SG 3.12Å; Q418-C420 PolarHBondContact O-N 2.95Å; Q418-C420 VanDerWaalsContact O-N 3.12Å; C420-P464 VanDerWaalsContact O-CD 3.31Å; C420-P464 WeakPolarHBondContact O-CD 3.48Å; C420-P464 VanDerWaalsContact O-CG 3.24Å; C420-P464 WeakPolarHBondContact O-CG 3Å; C420-F465 WeakPolarHBondContact O-CD1 3.31Å
421	F	58.3	Low	48.2	Very low	1 Å²	1	75 Å²	75	0%	0.004	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-39.9	-179.8	-56.5	-70.5	0	0	0	111.9	P389 C397 T398 P399 L419 F463 F465 V478	P389-F421 HydrophobicContact CB-CB 4.15Å; P389-F421 HydrophobicContact CB-CD2 4.09Å; P389-F421 HydrophobicContact CB-CG 4.02Å; P389-F421 HydrophobicContact CG-CB 4.29Å; P389-F421 HydrophobicContact CG-CD2 3.75Å; P389-F421 HydrophobicContact CG-CE2 4.42Å; P389-F421 HydrophobicContact CG-CG 4.13Å; C397-F421 HydrophobicContact CB-CD2 4.33Å; C397-F421 HydrophobicContact CB-CE1 4.06Å; C397-F421 HydrophobicContact CB-CE2 3.68Å; C397-F421 HydrophobicContact CB-CZ 3.54Å; C397-F421 WeakPolarHBondContact O-CE2 3.49Å; T398-F421 WeakPolarHBondContact O-CZ 3.39Å; P399-F421 HydrophobicContact CB-CE2 4.27Å; L419-F421 HydrophobicContact CB-CD2 4.44Å; L419-F421 HydrophobicContact CD2-CD2 3.96Å; L419-F421 PolarHBondContact O-N 2.8Å; F421-F463 WeakPolarHBondContact O-CA 3.45Å; F421-F463 WeakPolarHBondContact O-CD1 3.48Å; F421-F465 HydrophobicContact CB-CD1 4.44Å; F421-F465 HydrophobicContact CB-CE1 4.27Å; F421-F465 AromaticContact CD1-CD1 3.89Å; F421-F465 HydrophobicContact CD1-CD1 3.89Å; F421-F465 HydrophobicContact CD1-CE1 4.04Å; F421-F465 HydrophobicContact CD1-CG 4.23Å; F421-F465 WeakPolarHBondContact O-CE1 3.25Å; F421-V478 HydrophobicContact CD1-CG1 4.38Å
422	I	61	Low	48.4	Very low	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.398	C	S	.	.			trans	-147.5	130	-172.5	-48.4	176.4	0	0	0	108.2	F387 L419 M448 L461 V462 F463 I480	F387-I422 HydrophobicContact CB-CD1 3.82Å; F387-I422 HydrophobicContact CD1-CD1 3.71Å; F387-I422 HydrophobicContact CG-CD1 4.11Å; L419-I422 PolarHBondContact O-N 2.99Å; I422-M448 HydrophobicContact CB-CE 4.22Å; I422-M448 HydrophobicContact CB-SD 4.49Å; I422-M448 HydrophobicContact CG2-CE 4.23Å; I422-M448 HydrophobicContact CG2-SD 4.13Å; I422-M448 WeakPolarHBondContact O-CE 3.3Å; I422-L461 HydrophobicContact CG2-CB 4.29Å; I422-L461 HydrophobicContact CG2-CD1 4.47Å; I422-L461 HydrophobicContact CG2-CD2 3.73Å; I422-L461 HydrophobicContact CG2-CG 4.38Å; I422-V462 CarbonylContact C-O 3.53Å; I422-V462 VanDerWaalsContact CA-O 3.22Å; I422-V462 WeakPolarHBondContact CA-O 3.49Å; I422-F463 HydrophobicContact CG1-CD1 4.33Å; I422-F463 HydrophobicContact CG1-CE1 4.03Å; I422-I480 HydrophobicContact CD1-CB 4.47Å; I422-I480 HydrophobicContact CD1-CD1 3.5Å; I422-I480 VanDerWaalsContact CD1-CD1 3.5Å; I422-I480 HydrophobicContact CD1-CG1 3.98Å; I422-I480 HydrophobicContact CD1-CG2 3.67Å; I422-I480 HydrophobicContact CG1-CD1 3.82Å
423	Q	62.8	Low	48.8	Very low	34 Å²	34	75.6 Å²	75.6	16%	0.159	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.8	164.7	-178.5	-174.3	-12.5	0	0	108	L413 L461 V462	L413-Q423 HydrophobicContact CD1-CG 3.74Å; Q423-L461 CarbonylContact O-C 3.56Å; Q423-L461 VanDerWaalsContact O-CA 3.31Å; Q423-L461 WeakPolarHBondContact O-CA 3.38Å; Q423-V462 HydrophobicContact CB-CB 4.2Å; Q423-V462 PolarHBondContact N-O 2.84Å; Q423-V462 VanDerWaalsContact N-O 3.08Å; Q423-V462 PolarHBondContact O-N 2.67Å
424	A	59	Low	49.5	Very low	6 Å²	6	77.3 Å²	77.3	5%	0.05	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.9	165.8	0	0	0	0	0	109	I436 M448 I450 H460	A424-I436 HydrophobicContact CB-CD1 3.58Å; A424-I436 HydrophobicContact CB-CG1 4.16Å; A424-I436 WeakPolarHBondContact O-CD1 3.37Å; A424-M448 HydrophobicContact CB-SD 4.36Å; A424-I450 HydrophobicContact CB-CD1 3.91Å; A424-H460 CarbonylContact C-O 3.51Å; A424-H460 VanDerWaalsContact CA-O 3.25Å; A424-H460 WeakPolarHBondContact CA-O 3.32Å
425	I	57.3	Low	51	Low	27 Å²	27	73.6 Å²	73.6	14%	0.138	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.4	176	-58.6	168.4	0	0	0	108.6	I341 I409 H460 V462	I341-I425 HydrophobicContact CD1-CD1 3.42Å; I341-I425 VanDerWaalsContact CD1-CD1 3.42Å; I341-I425 HydrophobicContact CG1-CD1 3.54Å; I341-I425 HydrophobicContact CG2-CD1 4.26Å; I409-I425 HydrophobicContact CD1-CD1 3.81Å; I409-I425 HydrophobicContact CD1-CG1 4.39Å; I409-I425 HydrophobicContact CD1-CG2 4.13Å; I425-H460 HydrophobicContact CB-CB 3.77Å; I425-H460 PolarHBondContact N-O 2.88Å; I425-H460 PolarHBondContact O-ND1 3.15Å; I425-H460 VanDerWaalsContact O-ND1 3.16Å; I425-V462 HydrophobicContact CD1-CG2 3.6Å; I425-V462 HydrophobicContact CG1-CG2 4.3Å
426	Q	56.7	Low	52.6	Low	62 Å²	62	66.6 Å²	66.6	29%	0.29	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-90.7	129.5	174.8	-166	167.7	-0.4	0	0	109.7	D428	Q426-D428 VanDerWaalsContact C-N 3.33Å; Q426-D428 HydrophobicContact CG-CB 4.23Å
427	N	50.1	Low	54.5	Low	118 Å²	118	61.7 Å²	61.7	63%	0.631	34%	0.341	S	S	*	.			trans	-79.3	-16.4	176.8	-82	5.6	0	0	0	113.1	T429 H460	N427-T429 PolarHBondContact O-N 3.39Å; N427-H460 PolarHBondContact ND2-CE1 3.22Å; N427-H460 PolarHBondContact OD1-CE1 3.29Å; N427-H460 VanDerWaalsContact OD1-CE1 3.31Å; N427-H460 PolarHBondContact OD1-ND1 2.86Å
428	D	50.5	Low	56.4	Low	97 Å²	97	57.6 Å²	57.6	52%	0.519	32%	0.321	S	S	.	.			trans	-77.1	99.5	-177	-71.8	-25.1	0	0	0	111.1	Q426 T430	Q426-D428 VanDerWaalsContact C-N 3.33Å; Q426-D428 HydrophobicContact CG-CB 4.23Å; D428-T430 PolarHBondContact O-N 3.46Å
429	T	45.2	Very low	57.9	Low	132 Å²	132	59.1 Å²	59.1	81%	0.81	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.4	174.5	46.9	0	0	0	0	113.6	N427	N427-T429 PolarHBondContact O-N 3.39Å
430	T	45.4	Very low	59.4	Low	120 Å²	120	65 Å²	65	74%	0.736	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-6.5	-169.2	52.7	0	0	0	0	115.6	D428	D428-T430 PolarHBondContact O-N 3.46Å
431	T	43.3	Very low	60.9	Low	73 Å²	73	67.3 Å²	67.3	45%	0.448	37%	0.368	S	S	.	.			trans	-120.4	105.9	-178.4	31.6	0	0	0	0	110.5	N433	T431-N433 PolarHBondContact O-N 2.6Å
432	T	40.3	Very low	62	Low	138 Å²	138	75.8 Å²	75.8	85%	0.847	41%	0.414	S	S	*	.			trans	-64.6	12.4	174.9	45.2	0	0	0	0	114.9	N434	T432-N434 PolarHBondContact O-N 2.77Å
433	N	46.8	Very low	63	Low	111 Å²	111	79.5 Å²	79.5	59%	0.594	43%	0.433	S	S	*	.			trans	-95.8	94	175.4	-74.6	-2.5	0	0	0	108.3	T431 N435	T431-N433 PolarHBondContact O-N 2.6Å; N433-N435 VanDerWaalsContact C-N 3.27Å; N433-N435 PolarHBondContact O-N 3.42Å; N433-N435 PolarHBondContact O-OD1 3.02Å; N433-N435 VanDerWaalsContact O-OD1 3.04Å
434	N	54.6	Low	63.7	Low	79 Å²	79	79.2 Å²	79.2	42%	0.422	44%	0.44	S	S	.	.			trans	-62	93.9	163.2	-73.4	-12.4	0	0	0	107.7	T432 I436	T432-N434 PolarHBondContact O-N 2.77Å; N434-I436 PolarHBondContact O-N 2.52Å; N434-I436 VanDerWaalsContact O-N 3.11Å
435	N	71.3	Confident	64.7	Low	40 Å²	40	80.4 Å²	80.4	21%	0.214	44%	0.443	C	S	.	.			trans	-71.8	2.6	174.4	-68.4	16.1	0	0	0	112.1	N433 I450 D451 H453	N433-N435 VanDerWaalsContact C-N 3.27Å; N433-N435 PolarHBondContact O-N 3.42Å; N433-N435 PolarHBondContact O-OD1 3.02Å; N433-N435 VanDerWaalsContact O-OD1 3.04Å; N435-I450 WeakPolarHBondContact O-CA 3.34Å; N435-D451 HydrophobicContact CB-CB 4.12Å; N435-D451 WeakPolarHBondContact CB-OD2 3.3Å; N435-D451 PolarHBondContact ND2-OD2 2.73Å; N435-H453 PolarHBondContact ND2-NE2 2.96Å; N435-H453 VanDerWaalsContact ND2-NE2 3.16Å
436	I	75.7	Confident	65.7	Low	20 Å²	20	80.2 Å²	80.2	10%	0.103	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	176.1	-58.5	160.3	0	0	0	108.5	A424 N434 Y438 M448 E449 I450	A424-I436 HydrophobicContact CB-CD1 3.58Å; A424-I436 HydrophobicContact CB-CG1 4.16Å; A424-I436 WeakPolarHBondContact O-CD1 3.37Å; N434-I436 PolarHBondContact O-N 2.52Å; N434-I436 VanDerWaalsContact O-N 3.11Å; I436-Y438 HydrophobicContact CG2-CE2 3.96Å; I436-M448 HydrophobicContact CG2-CE 4.25Å; I436-M448 HydrophobicContact CG2-CG 4.01Å; I436-M448 HydrophobicContact CG2-SD 4.49Å; I436-E449 CarbonylContact C-O 3.54Å; I436-E449 VanDerWaalsContact CA-O 3.3Å; I436-E449 WeakPolarHBondContact CA-O 3.24Å; I436-I450 HydrophobicContact CD1-CD1 4.44Å; I436-I450 HydrophobicContact CG1-CB 4.41Å; I436-I450 HydrophobicContact CG1-CD1 3.87Å; I436-I450 HydrophobicContact CG1-CG1 4.13Å
437	T	78.9	Confident	67	Low	51 Å²	51	77.3 Å²	77.3	31%	0.313	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.7	172.7	62	0	0	0	0	110.3	M448 E449	T437-M448 CarbonylContact O-C 3.57Å; T437-M448 WeakPolarHBondContact O-CA 3.32Å; T437-E449 PolarHBondContact N-O 3.43Å; T437-E449 PolarHBondContact O-N 3.18Å
438	Y	79.6	Confident	68.6	Low	38 Å²	38	71.7 Å²	71.7	15%	0.149	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.5	171.9	-63.2	-81.7	0	0	0	108.2	E417 Q418 L419 I436 V447 M448	E417-Y438 WeakPolarHBondContact O-CB 3.28Å; E417-Y438 VanDerWaalsContact O-CD2 3.3Å; E417-Y438 WeakPolarHBondContact O-CD2 3.47Å; Q418-Y438 HydrophobicContact CG-CE2 4.38Å; L419-Y438 HydrophobicContact CB-CD1 4.17Å; L419-Y438 HydrophobicContact CB-CE1 3.71Å; L419-Y438 HydrophobicContact CD1-CD1 4.02Å; L419-Y438 HydrophobicContact CD1-CE1 4.02Å; L419-Y438 HydrophobicContact CG-CD1 3.7Å; L419-Y438 HydrophobicContact CG-CE1 3.75Å; I436-Y438 HydrophobicContact CG2-CE2 3.96Å; Y438-V447 WeakPolarHBondContact CA-O 3.16Å; Y438-M448 HydrophobicContact CD1-CB 3.95Å; Y438-M448 HydrophobicContact CE1-CB 3.8Å; Y438-M448 HydrophobicContact CE1-CE 3.51Å; Y438-M448 HydrophobicContact CE1-CG 4.25Å; Y438-M448 WeakPolarHBondContact OH-CE 3.43Å
439	K	78.8	Confident	70.4	Confident	84 Å²	84	67.2 Å²	67.2	37%	0.365	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139	-176.9	-65.7	178.8	-175.5	164	0	111	L446 V447 E449	K439-L446 VanDerWaalsContact C-CD1 3.48Å; K439-L446 WeakPolarHBondContact O-CA 3.31Å; K439-L446 WeakPolarHBondContact O-CD1 3.35Å; K439-V447 HydrophobicContact CB-CG2 4.29Å; K439-V447 PolarHBondContact N-O 3.1Å; K439-V447 WeakPolarHBondContact O-CG2 3.48Å; K439-V447 PolarHBondContact O-N 3.39Å; K439-E449 WeakPolarHBondContact CE-OE2 3.21Å; K439-E449 IonicContact NZ-OE2 3.9Å; K439-E449 PolarHBondContact NZ-OE2 2.81Å
440	L	81.1	Confident	72.3	Confident	125 Å²	125	61.9 Å²	61.9	65%	0.654	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.9	170.3	-175.1	66.3	0	0	0	108.6	G444 L446	L440-G444 WeakPolarHBondContact CD1-O 3.46Å; L440-L446 HydrophobicContact CB-CD1 4.22Å
441	M	82.9	Confident	74.2	Confident	57 Å²	57	57.8 Å²	57.8	28%	0.281	32%	0.315	S	S	.	.			trans	-79.3	159.4	178.1	-62.7	-62.7	-71	0	0	110.8	D443 G444 Y445 V447	M441-D443 WeakPolarHBondContact CB-OD1 3.46Å; M441-D443 PolarHBondContact O-N 2.9Å; M441-D443 VanDerWaalsContact O-N 3.14Å; M441-G444 WeakPolarHBondContact O-CA 3.31Å; M441-G444 PolarHBondContact O-N 3.48Å; M441-Y445 WeakPolarHBondContact CB-O 3.15Å; M441-Y445 PolarHBondContact N-O 2.81Å; M441-V447 HydrophobicContact CG-CB 4.43Å; M441-V447 HydrophobicContact CG-CG1 3.75Å; M441-V447 HydrophobicContact CG-CG2 3.78Å; M441-V447 HydrophobicContact SD-CG2 3.96Å
442	N	81.8	Confident	76.2	Confident	180 Å²	180	54.6 Å²	54.6	96%	0.963	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.3	-179.7	-67.4	-16.5	0	0	0	113.8	G444	N442-G444 PolarHBondContact O-N 2.82Å
443	D	81.9	Confident	77.9	Confident	78 Å²	78	53.8 Å²	53.8	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	5	174.9	63.9	-7.4	0	0	0	112.9	K388 M441 Y445	K388-D443 IonicContact NZ-OD2 3.32Å; K388-D443 PolarHBondContact NZ-OD2 2.93Å; M441-D443 WeakPolarHBondContact CB-OD1 3.46Å; M441-D443 PolarHBondContact O-N 2.9Å; M441-D443 VanDerWaalsContact O-N 3.14Å; D443-Y445 VanDerWaalsContact C-N 3.34Å; D443-Y445 HydrophobicContact CB-CD2 4.02Å; D443-Y445 HydrophobicContact CB-CE2 4.39Å; D443-Y445 WeakPolarHBondContact O-CD2 3.28Å; D443-Y445 WeakPolarHBondContact OD1-CD2 3.24Å; D443-Y445 PolarHBondContact OD1-N 2.99Å; D443-Y445 WeakPolarHBondContact OD2-CD2 3.43Å
444	G	77.1	Confident	79	Confident	28 Å²	28	53 Å²	53	29%	0.289	27%	0.273	S	S	.	.	S	Bend	trans	84.5	1	177	0	0	0	0	0	114.5	I396 L440 M441 N442	I396-G444 VanDerWaalsContact CG2-O 3.28Å; I396-G444 WeakPolarHBondContact CG2-O 3.22Å; L440-G444 WeakPolarHBondContact CD1-O 3.46Å; M441-G444 WeakPolarHBondContact O-CA 3.31Å; M441-G444 PolarHBondContact O-N 3.48Å; N442-G444 PolarHBondContact O-N 2.82Å
445	Y	80.1	Confident	80	Confident	31 Å²	31	50.1 Å²	50.1	12%	0.122	26%	0.257	C	S	.	.			trans	-82.2	131.5	178.4	-70.6	-97.3	0	0	0	111.2	K388 P389 F390 G394 I396 M441 D443	K388-Y445 HydrophobicContact CD-CD1 4.37Å; K388-Y445 HydrophobicContact CD-CG 4.36Å; K388-Y445 VanDerWaalsContact CE-CD2 3.44Å; K388-Y445 HydrophobicContact CG-CD1 4.06Å; K388-Y445 HydrophobicContact CG-CG 4.31Å; P389-Y445 WeakPolarHBondContact O-CD1 3.47Å; F390-Y445 HydrophobicContact CB-CD1 4.38Å; F390-Y445 HydrophobicContact CB-CE1 3.59Å; G394-Y445 PolarHBondContact O-OH 3.22Å; I396-Y445 HydrophobicContact CG1-CD1 4.37Å; I396-Y445 HydrophobicContact CG1-CD2 4.19Å; I396-Y445 HydrophobicContact CG1-CE1 4.21Å; I396-Y445 HydrophobicContact CG1-CE2 4.09Å; I396-Y445 HydrophobicContact CG1-CG 4.38Å; M441-Y445 WeakPolarHBondContact CB-O 3.15Å; M441-Y445 PolarHBondContact N-O 2.81Å; D443-Y445 VanDerWaalsContact C-N 3.34Å; D443-Y445 HydrophobicContact CB-CD2 4.02Å; D443-Y445 HydrophobicContact CB-CE2 4.39Å; D443-Y445 WeakPolarHBondContact O-CD2 3.28Å; D443-Y445 WeakPolarHBondContact OD1-CD2 3.24Å; D443-Y445 PolarHBondContact OD1-N 2.99Å; D443-Y445 WeakPolarHBondContact OD2-CD2 3.43Å
446	L	76.9	Confident	80.3	Confident	23 Å²	23	50.1 Å²	50.1	12%	0.12	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124	165.5	-169.4	77.2	0	0	0	108.9	P389 P399 L419 K439 L440	P389-L446 WeakPolarHBondContact CD-O 3.45Å; P399-L446 HydrophobicContact CB-CD2 4.24Å; P399-L446 HydrophobicContact CG-CD2 3.58Å; L419-L446 HydrophobicContact CD2-CB 3.82Å; L419-L446 HydrophobicContact CD2-CD2 3.5Å; L419-L446 HydrophobicContact CD2-CG 3.74Å; L419-L446 WeakPolarHBondContact CD2-O 3.47Å; L419-L446 HydrophobicContact CG-CD2 3.94Å; L419-L446 HydrophobicContact CG-CG 4.29Å; K439-L446 VanDerWaalsContact C-CD1 3.48Å; K439-L446 WeakPolarHBondContact O-CA 3.31Å; K439-L446 WeakPolarHBondContact O-CD1 3.35Å; L440-L446 HydrophobicContact CB-CD1 4.22Å
447	V	84.1	Confident	80.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.3	-179.9	-57.6	0	0	0	0	110.9	R386 F387 K388 Y438 K439 M441 E449	R386-V447 HydrophobicContact CG-CB 3.85Å; R386-V447 HydrophobicContact CG-CG1 4.16Å; R386-V447 HydrophobicContact CG-CG2 4.04Å; F387-V447 WeakPolarHBondContact O-CA 3.36Å; K388-V447 HydrophobicContact CB-CG1 4Å; K388-V447 HydrophobicContact CG-CG1 4.05Å; Y438-V447 WeakPolarHBondContact CA-O 3.16Å; K439-V447 HydrophobicContact CB-CG2 4.29Å; K439-V447 PolarHBondContact N-O 3.1Å; K439-V447 WeakPolarHBondContact O-CG2 3.48Å; K439-V447 PolarHBondContact O-N 3.39Å; M441-V447 HydrophobicContact CG-CB 4.43Å; M441-V447 HydrophobicContact CG-CG1 3.75Å; M441-V447 HydrophobicContact CG-CG2 3.78Å; M441-V447 HydrophobicContact SD-CG2 3.96Å; V447-E449 HydrophobicContact CG2-CG 4.41Å
448	M	85	Confident	80.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.8	165.9	160.2	-167.6	-68.9	0	0	107.8	R386 F387 L419 I422 A424 I436 T437 Y438	R386-M448 CarbonylContact C-O 3.59Å; R386-M448 WeakPolarHBondContact CA-O 3.46Å; F387-M448 HydrophobicContact CB-CB 4.26Å; F387-M448 HydrophobicContact CD2-CG 4.32Å; F387-M448 HydrophobicContact CD2-SD 4.12Å; F387-M448 HydrophobicContact CG-SD 4.48Å; F387-M448 PolarHBondContact N-O 2.69Å; F387-M448 PolarHBondContact O-N 2.81Å; L419-M448 HydrophobicContact CD1-CB 3.57Å; I422-M448 HydrophobicContact CB-CE 4.22Å; I422-M448 HydrophobicContact CB-SD 4.49Å; I422-M448 HydrophobicContact CG2-CE 4.23Å; I422-M448 HydrophobicContact CG2-SD 4.13Å; I422-M448 WeakPolarHBondContact O-CE 3.3Å; A424-M448 HydrophobicContact CB-SD 4.36Å; I436-M448 HydrophobicContact CG2-CE 4.25Å; I436-M448 HydrophobicContact CG2-CG 4.01Å; I436-M448 HydrophobicContact CG2-SD 4.49Å; T437-M448 CarbonylContact O-C 3.57Å; T437-M448 WeakPolarHBondContact O-CA 3.32Å; Y438-M448 HydrophobicContact CD1-CB 3.95Å; Y438-M448 HydrophobicContact CE1-CB 3.8Å; Y438-M448 HydrophobicContact CE1-CE 3.51Å; Y438-M448 HydrophobicContact CE1-CG 4.25Å; Y438-M448 WeakPolarHBondContact OH-CE 3.43Å
449	E	87.4	Confident	80.6	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.9	169.8	-63.2	179	166.7	0	0	109.3	K384 L385 R386 I436 T437 K439 V447	K384-E449 HydrophobicContact CD-CB 4.4Å; L385-E449 CarbonylContact O-C 3.55Å; L385-E449 VanDerWaalsContact O-CA 3.28Å; L385-E449 WeakPolarHBondContact O-CA 3.48Å; R386-E449 HydrophobicContact CB-CG 4.28Å; R386-E449 HydrophobicContact CG-CG 4.26Å; R386-E449 IonicContact CZ-OE1 2.7Å; R386-E449 VanDerWaalsContact CZ-OE1 3.32Å; R386-E449 IonicContact NE-OE1 3.84Å; R386-E449 PolarHBondContact NE-OE1 2.91Å; R386-E449 IonicContact NH2-OE1 3.38Å; R386-E449 PolarHBondContact NH2-OE1 2.96Å; I436-E449 CarbonylContact C-O 3.54Å; I436-E449 VanDerWaalsContact CA-O 3.3Å; I436-E449 WeakPolarHBondContact CA-O 3.24Å; T437-E449 PolarHBondContact N-O 3.43Å; T437-E449 PolarHBondContact O-N 3.18Å; K439-E449 WeakPolarHBondContact CE-OE2 3.21Å; K439-E449 IonicContact NZ-OE2 3.9Å; K439-E449 PolarHBondContact NZ-OE2 2.81Å; V447-E449 HydrophobicContact CG2-CG 4.41Å
450	I	85.9	Confident	80.6	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.108	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.9	171.3	-173.9	164.4	0	0	0	109.3	K384 L385 F387 A424 N435 I436 Y459	K384-I450 CarbonylContact C-O 3.55Å; K384-I450 VanDerWaalsContact CA-O 3.25Å; K384-I450 WeakPolarHBondContact CA-O 3.43Å; L385-I450 HydrophobicContact CB-CG2 3.86Å; L385-I450 HydrophobicContact CD1-CG2 4.43Å; L385-I450 PolarHBondContact N-O 2.86Å; L385-I450 PolarHBondContact O-N 3.16Å; F387-I450 HydrophobicContact CD2-CG2 4.47Å; F387-I450 HydrophobicContact CE2-CG2 3.79Å; A424-I450 HydrophobicContact CB-CD1 3.91Å; N435-I450 WeakPolarHBondContact O-CA 3.34Å; I436-I450 HydrophobicContact CD1-CD1 4.44Å; I436-I450 HydrophobicContact CG1-CB 4.41Å; I436-I450 HydrophobicContact CG1-CD1 3.87Å; I436-I450 HydrophobicContact CG1-CG1 4.13Å; I450-Y459 HydrophobicContact CD1-CD1 3.71Å; I450-Y459 HydrophobicContact CD1-CE1 3.66Å; I450-Y459 HydrophobicContact CG1-CE1 4.06Å; I450-Y459 HydrophobicContact CG2-CD1 4.25Å; I450-Y459 HydrophobicContact CG2-CE1 3.86Å
451	D	85.3	Confident	80.7	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.7	176.3	-66.2	-18	0	0	0	111.7	K384 N435 H453 Y459	K384-D451 VanDerWaalsContact CE-OD1 3.31Å; K384-D451 WeakPolarHBondContact CE-OD1 3.17Å; N435-D451 HydrophobicContact CB-CB 4.12Å; N435-D451 WeakPolarHBondContact CB-OD2 3.3Å; N435-D451 PolarHBondContact ND2-OD2 2.73Å; D451-H453 WeakPolarHBondContact CB-NE2 2.79Å; D451-H453 IonicContact OD2-CE1 3Å; D451-H453 IonicContact OD2-NE2 3.66Å; D451-Y459 PolarHBondContact O-OH 3.07Å
452	F	85.2	Confident	80.3	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	88.8	178.1	-171.9	-107.5	0	0	0	109	I346 F348 F383 L385 H454 Y459 L484	I346-F452 HydrophobicContact CG2-CE2 4.21Å; F348-F452 HydrophobicContact CB-CE1 3.98Å; F348-F452 HydrophobicContact CB-CZ 4Å; F383-F452 HydrophobicContact CB-CB 4.07Å; F383-F452 HydrophobicContact CB-CD1 4.22Å; F383-F452 PolarHBondContact O-N 3.35Å; L385-F452 HydrophobicContact CD1-CD2 3.61Å; L385-F452 HydrophobicContact CD1-CE2 4.19Å; L385-F452 HydrophobicContact CD1-CG 4.49Å; L385-F452 HydrophobicContact CD2-CD2 4.03Å; L385-F452 HydrophobicContact CD2-CE2 4.46Å; L385-F452 HydrophobicContact CD2-CG 4.42Å; L385-F452 HydrophobicContact CG-CB 4.09Å; L385-F452 HydrophobicContact CG-CD2 3.7Å; L385-F452 HydrophobicContact CG-CE2 4.49Å; L385-F452 HydrophobicContact CG-CG 4.14Å; F452-H454 VanDerWaalsContact CE1-O 3.23Å; F452-H454 WeakPolarHBondContact CE1-O 3.4Å; F452-H454 VanDerWaalsContact CE2-O 3.29Å; F452-H454 WeakPolarHBondContact CE2-O 3.44Å; F452-H454 WeakPolarHBondContact CZ-O 3.48Å; F452-Y459 HydrophobicContact CD2-CE2 4.45Å; F452-Y459 VanDerWaalsContact CD2-OH 3.29Å; F452-Y459 WeakPolarHBondContact CD2-OH 3.49Å; F452-L484 HydrophobicContact CB-CD1 4.17Å; F452-L484 HydrophobicContact CD1-CD1 3.56Å; F452-L484 HydrophobicContact CE1-CD1 4.09Å; F452-L484 HydrophobicContact CG-CD1 3.91Å
453	H	74.7	Confident	80.2	Confident	121 Å²	121	32.3 Å²	32.3	56%	0.56	17%	0.169	S	C	*	.			trans	-80.9	-36.6	-173.6	-62.4	-58.5	0	0	0	113.4	N435 D451	N435-H453 PolarHBondContact ND2-NE2 2.96Å; N435-H453 VanDerWaalsContact ND2-NE2 3.16Å; D451-H453 WeakPolarHBondContact CB-NE2 2.79Å; D451-H453 IonicContact OD2-CE1 3Å; D451-H453 IonicContact OD2-NE2 3.66Å
454	H	71.3	Confident	79.6	Confident	94 Å²	94	29.4 Å²	29.4	44%	0.435	15%	0.154	S	C	.	.	S	Bend	trans	-115.6	147.1	-176.5	-56.2	105.3	0	0	0	109.8	D364 F452 C456 D457	D364-H454 WeakPolarHBondContact OD2-CB 3.06Å; D364-H454 IonicContact OD2-CD2 3.56Å; F452-H454 VanDerWaalsContact CE1-O 3.23Å; F452-H454 WeakPolarHBondContact CE1-O 3.4Å; F452-H454 VanDerWaalsContact CE2-O 3.29Å; F452-H454 WeakPolarHBondContact CE2-O 3.44Å; F452-H454 WeakPolarHBondContact CZ-O 3.48Å; H454-C456 PolarHBondContact O-N 2.85Å; H454-D457 IonicContact ND1-OD2 3.78Å; H454-D457 PolarHBondContact ND1-OD2 2.89Å
455	F	74.6	Confident	79.2	Confident	18 Å²	18	28.4 Å²	28.4	8%	0.079	14%	0.141	C	C	.	.	S	Bend	trans	-65	-8.3	175.6	-73.6	-63.8	0	0	0	113.9	Q347 F348 Y350 D364 M378	Q347-F455 CarbonylContact C-O 3.59Å; Q347-F455 VanDerWaalsContact CA-O 3.31Å; Q347-F455 WeakPolarHBondContact CA-O 3.48Å; F348-F455 HydrophobicContact CB-CD1 4.32Å; F348-F455 AromaticContact CD1-CD1 3.84Å; F348-F455 HydrophobicContact CD1-CD1 3.84Å; F348-F455 AromaticContact CD1-CE1 3.9Å; F348-F455 HydrophobicContact CD1-CE1 3.9Å; F348-F455 HydrophobicContact CE1-CE1 4.46Å; F348-F455 PolarHBondContact N-O 2.75Å; Y350-F455 HydrophobicContact CD1-CD1 4.39Å; Y350-F455 HydrophobicContact CD1-CE1 4.06Å; Y350-F455 HydrophobicContact CD1-CZ 4.24Å; Y350-F455 HydrophobicContact CE1-CD1 4.44Å; Y350-F455 HydrophobicContact CE1-CD2 4.41Å; Y350-F455 HydrophobicContact CE1-CE1 4.13Å; Y350-F455 HydrophobicContact CE1-CE2 4.09Å; Y350-F455 AromaticContact CE1-CZ 3.89Å; Y350-F455 HydrophobicContact CE1-CZ 3.89Å; D364-F455 VanDerWaalsContact OD1-CD2 3.26Å; D364-F455 WeakPolarHBondContact OD1-CD2 3.33Å; D364-F455 PolarHBondContact OD2-N 2.85Å; D364-F455 VanDerWaalsContact OD2-N 3.14Å; M378-F455 HydrophobicContact CB-CE1 4.25Å; M378-F455 HydrophobicContact CB-CE2 4.16Å; M378-F455 HydrophobicContact CB-CZ 3.39Å; M378-F455 HydrophobicContact CE-CE1 3.91Å; M378-F455 HydrophobicContact CE-CZ 4.15Å; M378-F455 HydrophobicContact CG-CE1 4.34Å; M378-F455 HydrophobicContact CG-CZ 3.71Å; M378-F455 HydrophobicContact SD-CE1 4.43Å; M378-F455 HydrophobicContact SD-CZ 4.37Å
456	C	77.4	Confident	78.5	Confident	41 Å²	41	29.1 Å²	29.1	28%	0.277	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	118.8	172	177.6	0	0	0	0	108.8	R345 I346 Q347 H454	R345-C456 VanDerWaalsContact CZ-SG 3.6Å; R345-C456 PolarHBondContact NE-SG 3.18Å; I346-C456 WeakPolarHBondContact O-CA 2.99Å; Q347-C456 HydrophobicContact CB-CB 4.34Å; Q347-C456 HydrophobicContact CG-CB 4.17Å; H454-C456 PolarHBondContact O-N 2.85Å
457	D	78.6	Confident	77.8	Confident	53 Å²	53	28.9 Å²	28.9	28%	0.283	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.5	177.8	-143.9	-27.7	0	0	0	111.7	R345 I346 H454 Y459	R345-D457 WeakPolarHBondContact CA-O 3.07Å; I346-D457 PolarHBondContact N-O 2.98Å; I346-D457 PolarHBondContact O-N 3.11Å; H454-D457 IonicContact ND1-OD2 3.78Å; H454-D457 PolarHBondContact ND1-OD2 2.89Å; D457-Y459 HydrophobicContact CB-CE2 3.76Å
458	I	80.5	Confident	76.5	Confident	80 Å²	80	32.5 Å²	32.5	41%	0.41	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	178.2	-60.7	174.8	0	0	0	109.2	L305 D343 R345	L305-I458 HydrophobicContact CD1-CD1 3.76Å; L305-I458 HydrophobicContact CD1-CG1 4.14Å; L305-I458 HydrophobicContact CD1-CG2 4.33Å; D343-I458 HydrophobicContact CB-CG2 4.09Å; R345-I458 HydrophobicContact CB-CG1 4.39Å
459	Y	83	Confident	75	Confident	13 Å²	13	39.6 Å²	39.6	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.8	178.7	-62.4	-87.9	0	0	0	109.9	T344 I346 L385 I450 D451 F452 D457 L461	T344-Y459 WeakPolarHBondContact CA-O 3.48Å; T344-Y459 WeakPolarHBondContact CB-O 3.48Å; T344-Y459 PolarHBondContact N-O 2.87Å; T344-Y459 PolarHBondContact O-N 3.24Å; I346-Y459 HydrophobicContact CB-CD2 4.07Å; I346-Y459 HydrophobicContact CB-CE2 4Å; I346-Y459 HydrophobicContact CD1-CD2 3.7Å; I346-Y459 HydrophobicContact CD1-CE2 4.13Å; I346-Y459 HydrophobicContact CD1-CG 4.37Å; I346-Y459 HydrophobicContact CG1-CD2 3.93Å; I346-Y459 HydrophobicContact CG1-CE2 4.34Å; L385-Y459 HydrophobicContact CD1-CD2 4.3Å; L385-Y459 HydrophobicContact CD1-CE1 4.22Å; L385-Y459 HydrophobicContact CD1-CE2 3.62Å; I450-Y459 HydrophobicContact CD1-CD1 3.71Å; I450-Y459 HydrophobicContact CD1-CE1 3.66Å; I450-Y459 HydrophobicContact CG1-CE1 4.06Å; I450-Y459 HydrophobicContact CG2-CD1 4.25Å; I450-Y459 HydrophobicContact CG2-CE1 3.86Å; D451-Y459 PolarHBondContact O-OH 3.07Å; F452-Y459 HydrophobicContact CD2-CE2 4.45Å; F452-Y459 VanDerWaalsContact CD2-OH 3.29Å; F452-Y459 WeakPolarHBondContact CD2-OH 3.49Å; D457-Y459 HydrophobicContact CB-CE2 3.76Å; Y459-L461 PolarHBondContact O-N 2.71Å
460	H	78.2	Confident	73.5	Confident	33 Å²	33	40 Å²	40	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	101.3	174	-60.7	149.6	0	0	0	109.8	I341 D343 A424 I425 N427	I341-H460 HydrophobicContact CG2-CB 3.81Å; D343-H460 IonicContact OD1-CD2 2.74Å; D343-H460 PolarHBondContact OD1-CD2 3.17Å; D343-H460 IonicContact OD1-CG 2.72Å; D343-H460 IonicContact OD1-NE2 2.98Å; A424-H460 CarbonylContact C-O 3.51Å; A424-H460 VanDerWaalsContact CA-O 3.25Å; A424-H460 WeakPolarHBondContact CA-O 3.32Å; I425-H460 HydrophobicContact CB-CB 3.77Å; I425-H460 PolarHBondContact N-O 2.88Å; I425-H460 PolarHBondContact O-ND1 3.15Å; I425-H460 VanDerWaalsContact O-ND1 3.16Å; N427-H460 PolarHBondContact ND2-CE1 3.22Å; N427-H460 PolarHBondContact OD1-CE1 3.29Å; N427-H460 VanDerWaalsContact OD1-CE1 3.31Å; N427-H460 PolarHBondContact OD1-ND1 2.86Å
461	L	82	Confident	71.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135	-177.3	-56.4	-174.6	0	0	0	111.3	I342 T344 F387 I422 Q423 Y459 F463	I342-L461 PolarHBondContact N-O 3.35Å; I342-L461 PolarHBondContact O-N 2.87Å; T344-L461 HydrophobicContact CG2-CD1 3.93Å; T344-L461 WeakPolarHBondContact OG1-CD1 3.48Å; F387-L461 HydrophobicContact CE1-CD1 4.04Å; F387-L461 HydrophobicContact CE1-CD2 4.46Å; F387-L461 HydrophobicContact CZ-CD2 4.43Å; I422-L461 HydrophobicContact CG2-CB 4.29Å; I422-L461 HydrophobicContact CG2-CD1 4.47Å; I422-L461 HydrophobicContact CG2-CD2 3.73Å; I422-L461 HydrophobicContact CG2-CG 4.38Å; Q423-L461 CarbonylContact O-C 3.56Å; Q423-L461 VanDerWaalsContact O-CA 3.31Å; Q423-L461 WeakPolarHBondContact O-CA 3.38Å; Y459-L461 PolarHBondContact O-N 2.71Å; L461-F463 HydrophobicContact CB-CE2 4.12Å; L461-F463 HydrophobicContact CB-CZ 4.13Å; L461-F463 HydrophobicContact CD1-CZ 4.33Å
462	V	76.3	Confident	69.9	Low	2 Å²	2	40.6 Å²	40.6	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.3	171.6	-178.1	0	0	0	0	110.5	G339 I341 M407 I422 Q423 I425 P464	G339-V462 WeakPolarHBondContact O-CG1 3.42Å; I341-V462 HydrophobicContact CB-CG2 4.42Å; I341-V462 HydrophobicContact CG1-CG2 3.88Å; M407-V462 HydrophobicContact SD-CG1 4.24Å; I422-V462 CarbonylContact C-O 3.53Å; I422-V462 VanDerWaalsContact CA-O 3.22Å; I422-V462 WeakPolarHBondContact CA-O 3.49Å; Q423-V462 HydrophobicContact CB-CB 4.2Å; Q423-V462 PolarHBondContact N-O 2.84Å; Q423-V462 VanDerWaalsContact N-O 3.08Å; Q423-V462 PolarHBondContact O-N 2.67Å; I425-V462 HydrophobicContact CD1-CG2 3.6Å; I425-V462 HydrophobicContact CG1-CG2 4.3Å; V462-P464 VanDerWaalsContact O-CD 3.28Å; V462-P464 WeakPolarHBondContact O-CD 3.4Å
463	F	79.3	Confident	67.6	Low	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.			trans	-111.8	89	176.2	-54.2	-86.2	0	0	0	110.1	L334 V336 G339 I342 F421 I422 L461 F465 I480 F497 V499	L334-F463 HydrophobicContact CD2-CD2 4.36Å; L334-F463 HydrophobicContact CD2-CE2 3.64Å; L334-F463 HydrophobicContact CD2-CZ 3.86Å; V336-F463 HydrophobicContact CG1-CB 4.11Å; V336-F463 HydrophobicContact CG1-CD2 3.93Å; V336-F463 HydrophobicContact CG1-CG 4.17Å; V336-F463 HydrophobicContact CG2-CD2 4.12Å; G339-F463 PolarHBondContact N-O 2.82Å; I342-F463 HydrophobicContact CB-CE2 4.45Å; I342-F463 HydrophobicContact CG1-CD2 4.45Å; I342-F463 HydrophobicContact CG1-CE2 4.29Å; F421-F463 WeakPolarHBondContact O-CA 3.45Å; F421-F463 WeakPolarHBondContact O-CD1 3.48Å; I422-F463 HydrophobicContact CG1-CD1 4.33Å; I422-F463 HydrophobicContact CG1-CE1 4.03Å; L461-F463 HydrophobicContact CB-CE2 4.12Å; L461-F463 HydrophobicContact CB-CZ 4.13Å; L461-F463 HydrophobicContact CD1-CZ 4.33Å; F463-F465 VanDerWaalsContact C-N 3.3Å; F463-F465 HydrophobicContact CB-CD1 4.29Å; F463-F465 HydrophobicContact CB-CE1 3.82Å; F463-F465 HydrophobicContact CD1-CE1 4.02Å; F463-F465 HydrophobicContact CG-CE1 4.41Å; F463-F465 PolarHBondContact O-N 3.35Å; F463-I480 HydrophobicContact CD1-CD1 4.26Å; F463-I480 HydrophobicContact CE1-CD1 3.68Å; F463-F497 HydrophobicContact CE1-CE2 4.26Å; F463-F497 HydrophobicContact CE1-CZ 4.44Å; F463-F497 HydrophobicContact CZ-CE2 4.15Å; F463-F497 HydrophobicContact CZ-CZ 4.35Å; F463-V499 HydrophobicContact CB-CG1 4.43Å; F463-V499 HydrophobicContact CD1-CG1 3.83Å; F463-V499 HydrophobicContact CD1-CG2 4.21Å; F463-V499 HydrophobicContact CE1-CG1 4.24Å; F463-V499 HydrophobicContact CE1-CG2 3.84Å; F463-V499 HydrophobicContact CG-CG1 4.03Å; F463-V499 HydrophobicContact CZ-CG2 4.32Å
464	P	69.3	Low	66.3	Low	17 Å²	17	48 Å²	48	11%	0.11	25%	0.249	C	C	.	.			trans	-83.7	2.2	-169.6	31.5	-33.2	0	0	0	114.3	R338 Y403 C420 V462	R338-P464 WeakPolarHBondContact CD-O 3.29Å; R338-P464 WeakPolarHBondContact CG-O 3.33Å; R338-P464 PolarHBondContact NE-O 2.81Å; Y403-P464 HydrophobicContact CD2-CB 4.05Å; Y403-P464 HydrophobicContact CD2-CG 4.49Å; Y403-P464 HydrophobicContact CE2-CB 4.32Å; Y403-P464 WeakPolarHBondContact CE2-O 3.46Å; Y403-P464 VanDerWaalsContact CZ-O 3.25Å; Y403-P464 PolarHBondContact OH-O 2.99Å; C420-P464 VanDerWaalsContact O-CD 3.31Å; C420-P464 WeakPolarHBondContact O-CD 3.48Å; C420-P464 VanDerWaalsContact O-CG 3.24Å; C420-P464 WeakPolarHBondContact O-CG 3Å; V462-P464 VanDerWaalsContact O-CD 3.28Å; V462-P464 WeakPolarHBondContact O-CD 3.4Å
465	F	68.2	Low	65.4	Low	6 Å²	6	52.2 Å²	52.2	3%	0.026	27%	0.266	C	S	.	.			trans	-88.4	164.1	-178.6	62.6	-83.3	0	0	0	113.7	C420 F421 F463 N467 V478 V499 S501	C420-F465 WeakPolarHBondContact O-CD1 3.31Å; F421-F465 HydrophobicContact CB-CD1 4.44Å; F421-F465 HydrophobicContact CB-CE1 4.27Å; F421-F465 AromaticContact CD1-CD1 3.89Å; F421-F465 HydrophobicContact CD1-CD1 3.89Å; F421-F465 HydrophobicContact CD1-CE1 4.04Å; F421-F465 HydrophobicContact CD1-CG 4.23Å; F421-F465 WeakPolarHBondContact O-CE1 3.25Å; F463-F465 VanDerWaalsContact C-N 3.3Å; F463-F465 HydrophobicContact CB-CD1 4.29Å; F463-F465 HydrophobicContact CB-CE1 3.82Å; F463-F465 HydrophobicContact CD1-CE1 4.02Å; F463-F465 HydrophobicContact CG-CE1 4.41Å; F463-F465 PolarHBondContact O-N 3.35Å; F465-N467 VanDerWaalsContact CE2-OD1 3.32Å; F465-N467 WeakPolarHBondContact CE2-OD1 3.38Å; F465-V478 HydrophobicContact CD2-CG2 4.45Å; F465-V478 HydrophobicContact CE2-CB 4.1Å; F465-V478 HydrophobicContact CE2-CG2 3.78Å; F465-V478 HydrophobicContact CZ-CB 4.16Å; F465-V478 HydrophobicContact CZ-CG1 4.19Å; F465-V478 HydrophobicContact CZ-CG2 4.28Å; F465-V499 HydrophobicContact CZ-CB 4.19Å; F465-V499 HydrophobicContact CZ-CG1 3.83Å; F465-S501 WeakPolarHBondContact O-CB 3.45Å; F465-S501 PolarHBondContact O-OG 3.43Å
466	L	64.6	Low	64.9	Low	47 Å²	47	53 Å²	53	25%	0.246	27%	0.269	C	S	.	.			trans	-106.3	131.5	160.6	-69.6	172.1	0	0	0	107.2	S468 K469 C470	L466-S468 PolarHBondContact O-N 3.01Å; L466-S468 VanDerWaalsContact O-N 3.08Å; L466-K469 HydrophobicContact CB-CB 4.17Å; L466-K469 HydrophobicContact CB-CG 4.28Å; L466-K469 HydrophobicContact CD1-CD 3.98Å; L466-K469 HydrophobicContact CD1-CG 4.18Å; L466-K469 CarbonylContact O-C 3.59Å; L466-K469 WeakPolarHBondContact O-CA 3.47Å; L466-K469 PolarHBondContact O-N 2.98Å; L466-C470 PolarHBondContact O-N 3.21Å
467	N	63.4	Low	64.6	Low	18 Å²	18	53.9 Å²	53.9	10%	0.096	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.2	-31.4	178.8	-72.1	46.1	0	0	0	112.3	F465 K469 V499 S501	F465-N467 VanDerWaalsContact CE2-OD1 3.32Å; F465-N467 WeakPolarHBondContact CE2-OD1 3.38Å; N467-K469 VanDerWaalsContact C-N 3.34Å; N467-V499 PolarHBondContact ND2-O 3.49Å; N467-S501 WeakPolarHBondContact OD1-CB 3.5Å; N467-S501 PolarHBondContact OD1-N 3.16Å
468	S	57.1	Low	64.8	Low	76 Å²	76	51.3 Å²	51.3	53%	0.531	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-73.3	-21.2	176.3	59.1	0	0	0	0	114.8	L466	L466-S468 PolarHBondContact O-N 3.01Å; L466-S468 VanDerWaalsContact O-N 3.08Å
469	K	53.4	Low	65.1	Low	150 Å²	150	48.1 Å²	48.1	65%	0.652	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-113.1	14.1	177.5	-57.1	-167.2	-177.4	-177.6	0	112.1	L466 N467	L466-K469 HydrophobicContact CB-CB 4.17Å; L466-K469 HydrophobicContact CB-CG 4.28Å; L466-K469 HydrophobicContact CD1-CD 3.98Å; L466-K469 HydrophobicContact CD1-CG 4.18Å; L466-K469 CarbonylContact O-C 3.59Å; L466-K469 WeakPolarHBondContact O-CA 3.47Å; L466-K469 PolarHBondContact O-N 2.98Å; N467-K469 VanDerWaalsContact C-N 3.34Å
470	C	54.6	Low	65.4	Low	9 Å²	9	47.5 Å²	47.5	6%	0.061	24%	0.239	C	C	.	.			trans	-58.1	133.8	169.6	-174	0	0	0	0	107.5	L466 S472	L466-C470 PolarHBondContact O-N 3.21Å; C470-S472 CarbonylContact O-C 3.33Å; C470-S472 PolarHBondContact O-N 3.46Å; C470-S472 PolarHBondContact SG-OG 3.29Å
471	P	47.4	Very low	66	Low	53 Å²	53	47.1 Å²	47.1	34%	0.344	24%	0.239	S	C	.	.	S	Bend	trans	-60.1	-13.1	178.1	-29.1	39.6	0	0	0	114.3	T398 A400 T473	T398-P471 WeakPolarHBondContact O-CB 3.22Å; T398-P471 WeakPolarHBondContact O-CG 3.43Å; T398-P471 WeakPolarHBondContact OG1-CB 3.07Å; A400-P471 HydrophobicContact CB-CG 3.98Å; P471-T473 PolarHBondContact O-N 3.43Å; P471-T473 VanDerWaalsContact O-N 3.12Å
472	S	48.5	Very low	66.5	Low	15 Å²	15	47.1 Å²	47.1	11%	0.105	24%	0.239	C	C	.	.	S	Bend	trans	-62	114.5	162.1	66.1	0	0	0	0	108.1	C470 W474	C470-S472 CarbonylContact O-C 3.33Å; C470-S472 PolarHBondContact O-N 3.46Å; C470-S472 PolarHBondContact SG-OG 3.29Å; S472-W474 PolarHBondContact O-N 3.03Å; S472-W474 VanDerWaalsContact O-O 3.08Å
473	T	38.2	Very low	67.4	Low	120 Å²	120	47.5 Å²	47.5	74%	0.736	24%	0.241	S	C	*	.	S	Bend	trans	-52.5	4.9	-169.4	42.7	0	0	0	0	118	P471	P471-T473 PolarHBondContact O-N 3.43Å; P471-T473 VanDerWaalsContact O-N 3.12Å
474	W	46.5	Very low	68	Low	162 Å²	162	47.5 Å²	47.5	61%	0.614	24%	0.241	S	C	*	.	S	Bend	trans	-139.2	143	179.5	-61.3	-50.5	0	0	0	109.3	S472 K476	S472-W474 PolarHBondContact O-N 3.03Å; S472-W474 VanDerWaalsContact O-O 3.08Å; W474-K476 HydrophobicContact CB-CD 3.54Å; W474-K476 HydrophobicContact CB-CG 3.59Å; W474-K476 HydrophobicContact CD2-CD 4.37Å; W474-K476 HydrophobicContact CE3-CD 3.89Å; W474-K476 HydrophobicContact CG-CD 4.31Å; W474-K476 WeakPolarHBondContact O-CB 3.35Å; W474-K476 PolarHBondContact O-N 3.22Å
475	K	51.9	Low	69	Low	183 Å²	183	46.8 Å²	46.8	80%	0.796	24%	0.236	S	C	*	.	S	Bend	trans	-55.2	70	172.3	-64.3	177.4	177.3	176.5	0	111.3
476	K	63.8	Low	70	Confident	35 Å²	35	46.8 Å²	46.8	15%	0.152	24%	0.236	C	C	.	.			trans	-117.3	147.3	-166.6	-73.4	-177.3	175.6	-171.4	0	109.9	F393 W474 V478	F393-K476 HydrophobicContact CD2-CD 3.45Å; F393-K476 VanDerWaalsContact CD2-CD 3.45Å; F393-K476 HydrophobicContact CE2-CD 3.43Å; F393-K476 VanDerWaalsContact CE2-CD 3.43Å; F393-K476 HydrophobicContact CE2-CG 4.29Å; W474-K476 HydrophobicContact CB-CD 3.54Å; W474-K476 HydrophobicContact CB-CG 3.59Å; W474-K476 HydrophobicContact CD2-CD 4.37Å; W474-K476 HydrophobicContact CE3-CD 3.89Å; W474-K476 HydrophobicContact CG-CD 4.31Å; W474-K476 WeakPolarHBondContact O-CB 3.35Å; W474-K476 PolarHBondContact O-N 3.22Å; K476-V478 PolarHBondContact O-N 3.1Å
477	D	72.6	Confident	71	Confident	59 Å²	59	49.8 Å²	49.8	32%	0.316	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-62	129.5	177.6	-70.7	-9.6	0	0	0	109.1	K333 E498	K333-D477 IonicContact NZ-OD2 3.09Å; K333-D477 PolarHBondContact NZ-OD2 3.48Å; D477-E498 HydrophobicContact CB-CG 3.97Å; D477-E498 WeakPolarHBondContact CB-OE1 3.37Å; D477-E498 VanDerWaalsContact OD2-OE1 3.13Å
478	V	81.5	Confident	72.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.7	-179.9	176.8	0	0	0	0	107.5	F421 F465 K476 E498 V499	F421-V478 HydrophobicContact CD1-CG1 4.38Å; F465-V478 HydrophobicContact CD2-CG2 4.45Å; F465-V478 HydrophobicContact CE2-CB 4.1Å; F465-V478 HydrophobicContact CE2-CG2 3.78Å; F465-V478 HydrophobicContact CZ-CB 4.16Å; F465-V478 HydrophobicContact CZ-CG1 4.19Å; F465-V478 HydrophobicContact CZ-CG2 4.28Å; K476-V478 PolarHBondContact O-N 3.1Å; V478-E498 CarbonylContact O-C 3.59Å; V478-E498 WeakPolarHBondContact O-CA 3.12Å; V478-V499 PolarHBondContact O-N 3.46Å
479	H	87.1	Confident	73.6	Confident	13 Å²	13	55.5 Å²	55.5	6%	0.06	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.3	174.9	-70.5	-116.1	0	0	0	109.3	P389 F390 I392 E496 F497	P389-H479 CarbonylContact C-O 3.54Å; P389-H479 VanDerWaalsContact CA-O 3.3Å; P389-H479 WeakPolarHBondContact CA-O 2.95Å; F390-H479 HydrophobicContact CD1-CB 3.8Å; F390-H479 HydrophobicContact CD2-CB 4.1Å; F390-H479 HydrophobicContact CE1-CB 3.37Å; F390-H479 HydrophobicContact CE2-CB 3.73Å; F390-H479 HydrophobicContact CG-CB 4.14Å; F390-H479 HydrophobicContact CZ-CB 3.35Å; F390-H479 PolarHBondContact N-O 2.82Å; F390-H479 PolarHBondContact O-N 2.79Å; I392-H479 VanDerWaalsContact CG2-CD2 3.48Å; I392-H479 WeakPolarHBondContact CG2-CD2 3.44Å; I392-H479 WeakPolarHBondContact CG2-NE2 3.47Å; H479-E496 IonicContact CE1-OE1 2.6Å; H479-E496 IonicContact CG-OE1 3.78Å; H479-E496 IonicContact ND1-OE1 3.02Å; H479-E496 PolarHBondContact ND1-OE1 2.82Å; H479-F497 WeakPolarHBondContact CA-O 3.27Å
480	I	88.9	Confident	75.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.4	175.6	-67.1	160.5	0	0	0	107.6	F387 K388 P389 I422 F463 V482 E496 F497 V499	F387-I480 HydrophobicContact CD1-CG2 4.16Å; K388-I480 WeakPolarHBondContact O-CA 3.31Å; P389-I480 HydrophobicContact CB-CG1 4.29Å; I422-I480 HydrophobicContact CD1-CB 4.47Å; I422-I480 HydrophobicContact CD1-CD1 3.5Å; I422-I480 VanDerWaalsContact CD1-CD1 3.5Å; I422-I480 HydrophobicContact CD1-CG1 3.98Å; I422-I480 HydrophobicContact CD1-CG2 3.67Å; I422-I480 HydrophobicContact CG1-CD1 3.82Å; F463-I480 HydrophobicContact CD1-CD1 4.26Å; F463-I480 HydrophobicContact CE1-CD1 3.68Å; I480-V482 HydrophobicContact CG2-CG2 4.18Å; I480-E496 WeakPolarHBondContact O-CA 3.46Å; I480-F497 HydrophobicContact CB-CD1 4.36Å; I480-F497 HydrophobicContact CB-CE1 3.87Å; I480-F497 HydrophobicContact CB-CE2 4.29Å; I480-F497 HydrophobicContact CB-CZ 3.83Å; I480-F497 HydrophobicContact CD1-CE2 3.95Å; I480-F497 HydrophobicContact CD1-CZ 3.86Å; I480-F497 HydrophobicContact CG1-CZ 4.47Å; I480-F497 HydrophobicContact CG2-CE1 3.69Å; I480-F497 HydrophobicContact CG2-CZ 3.84Å; I480-F497 PolarHBondContact N-O 3.35Å; I480-F497 PolarHBondContact O-N 3.39Å; I480-V499 HydrophobicContact CD1-CG2 3.69Å
481	T	91.6	Very high	77	Confident	25 Å²	25	57.7 Å²	57.7	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.1	165.8	-50.8	0	0	0	0	108.6	F387 K388 F390 I495	F387-T481 CarbonylContact C-O 3.58Å; F387-T481 WeakPolarHBondContact CA-O 3.43Å; K388-T481 PolarHBondContact N-O 2.87Å; K388-T481 PolarHBondContact O-N 3.08Å; F390-T481 WeakPolarHBondContact CE1-OG1 3.43Å; T481-I495 CarbonylContact C-O 3.51Å; T481-I495 WeakPolarHBondContact CA-O 3.33Å
482	V	92.8	Very high	78.9	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.7	169.4	-171.6	0	0	0	0	107.5	L300 L302 I346 L385 R386 F387 I480 S494 I495 F497	L300-V482 HydrophobicContact CD2-CB 4.29Å; L300-V482 HydrophobicContact CD2-CG1 3.91Å; L302-V482 HydrophobicContact CD1-CG2 3.97Å; I346-V482 HydrophobicContact CD1-CG1 4.36Å; L385-V482 HydrophobicContact CB-CG1 4.42Å; L385-V482 HydrophobicContact CD2-CG1 4.1Å; R386-V482 CarbonylContact O-C 3.56Å; R386-V482 WeakPolarHBondContact O-CA 3.45Å; F387-V482 HydrophobicContact CD1-CG1 4.33Å; F387-V482 HydrophobicContact CD1-CG2 3.62Å; F387-V482 HydrophobicContact CE1-CB 4.45Å; F387-V482 HydrophobicContact CE1-CG1 4Å; F387-V482 HydrophobicContact CE1-CG2 3.61Å; F387-V482 HydrophobicContact CE2-CG1 4.43Å; F387-V482 HydrophobicContact CZ-CG1 4.05Å; F387-V482 HydrophobicContact CZ-CG2 4.47Å; I480-V482 HydrophobicContact CG2-CG2 4.18Å; V482-S494 CarbonylContact O-C 3.57Å; V482-S494 VanDerWaalsContact O-CA 3.31Å; V482-S494 WeakPolarHBondContact O-CA 3.2Å; V482-I495 HydrophobicContact CB-CG2 3.95Å; V482-I495 HydrophobicContact CG2-CG2 4.5Å; V482-I495 PolarHBondContact N-O 3.29Å; V482-I495 PolarHBondContact O-N 3.01Å; V482-F497 HydrophobicContact CG2-CD1 4.31Å; V482-F497 HydrophobicContact CG2-CE1 3.69Å
483	T	93.7	Very high	80.8	Confident	9 Å²	9	57 Å²	57	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.6	-177.3	-53.9	0	0	0	0	109.9	L385 R386 I485 E491 S493	L385-T483 CarbonylContact C-O 3.59Å; L385-T483 WeakPolarHBondContact CA-O 3.43Å; R386-T483 PolarHBondContact N-O 3.5Å; R386-T483 PolarHBondContact O-N 2.89Å; T483-I485 HydrophobicContact CG2-CG2 3.86Å; T483-E491 HydrophobicContact CG2-CB 3.89Å; T483-E491 VanDerWaalsContact CG2-CD 3.44Å; T483-E491 HydrophobicContact CG2-CG 3.4Å; T483-E491 VanDerWaalsContact CG2-CG 3.4Å; T483-S493 CarbonylContact C-O 3.35Å; T483-S493 WeakPolarHBondContact CA-O 3.36Å
484	L	92.4	Very high	83.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.5	167.2	-175.9	69.5	0	0	0	108.8	F348 F383 L385 F452 L492 S493	F348-L484 HydrophobicContact CB-CD2 4.35Å; F348-L484 HydrophobicContact CD1-CD2 4.02Å; F348-L484 HydrophobicContact CD2-CD2 3.51Å; F348-L484 HydrophobicContact CE1-CD2 4.13Å; F348-L484 HydrophobicContact CE2-CD2 3.65Å; F348-L484 HydrophobicContact CG-CD2 3.69Å; F348-L484 HydrophobicContact CZ-CD2 3.95Å; F383-L484 HydrophobicContact CB-CD1 3.87Å; F383-L484 HydrophobicContact CG-CD1 4.48Å; L385-L484 HydrophobicContact CD2-CB 4.47Å; L385-L484 HydrophobicContact CD2-CD1 4.02Å; F452-L484 HydrophobicContact CB-CD1 4.17Å; F452-L484 HydrophobicContact CD1-CD1 3.56Å; F452-L484 HydrophobicContact CE1-CD1 4.09Å; F452-L484 HydrophobicContact CG-CD1 3.91Å; L484-L492 HydrophobicContact CD2-CB 4.27Å; L484-L492 HydrophobicContact CD2-CD1 4.16Å; L484-L492 HydrophobicContact CG-CB 4.43Å; L484-L492 HydrophobicContact CG-CD1 4.29Å; L484-L492 PolarHBondContact O-N 2.97Å; L484-S493 PolarHBondContact N-O 3.06Å
485	I	91.5	Very high	85.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.1	179.9	62.3	174.6	0	0	0	111.4	F383 K384 R386 T483 N490	F383-I485 WeakPolarHBondContact CA-O 3.19Å; K384-I485 HydrophobicContact CB-CD1 4.03Å; K384-I485 HydrophobicContact CB-CG1 3.74Å; K384-I485 PolarHBondContact N-O 3.34Å; K384-I485 WeakPolarHBondContact O-CG1 3.48Å; K384-I485 PolarHBondContact O-N 2.67Å; R386-I485 HydrophobicContact CB-CD1 4.29Å; R386-I485 VanDerWaalsContact NH2-CD1 3.28Å; T483-I485 HydrophobicContact CG2-CG2 3.86Å; I485-N490 VanDerWaalsContact CA-O 3.28Å; I485-N490 WeakPolarHBondContact CA-O 3.5Å
486	D	87.9	Confident	87.6	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.224	C	C	.	.			trans	-86	-176.6	171.1	75.9	2.5	0	0	0	112.4	F383 N488 D489 N490 L492	F383-D486 HydrophobicContact CD1-CB 4.38Å; F383-D486 HydrophobicContact CE1-CB 4.29Å; D486-N488 PolarHBondContact O-N 3.33Å; D486-N488 WeakPolarHBondContact OD1-CA 3.49Å; D486-N488 WeakPolarHBondContact OD1-CB 3.15Å; D486-N488 PolarHBondContact OD1-N 3.01Å; D486-D489 PolarHBondContact O-N 3.22Å; D486-D489 PolarHBondContact OD1-N 2.94Å; D486-D489 VanDerWaalsContact OD1-N 3.17Å; D486-N490 PolarHBondContact N-O 3.5Å; D486-N490 VanDerWaalsContact N-O 3.1Å; D486-N490 WeakPolarHBondContact OD1-CB 3.39Å; D486-N490 PolarHBondContact OD1-N 3.37Å; D486-N490 PolarHBondContact OD1-ND2 3.28Å; D486-N490 WeakPolarHBondContact OD2-CB 3.36Å; D486-N490 PolarHBondContact OD2-ND2 3.49Å; D486-L492 HydrophobicContact CB-CD1 4.49Å
487	E	85.9	Confident	89	Confident	109 Å²	109	41.3 Å²	41.3	51%	0.509	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.1	178.3	-59.8	-172.1	167.4	0	0	114.3	K382	K382-E487 HydrophobicContact CB-CG 3.95Å; K382-E487 VanDerWaalsContact CB-OE1 3.29Å; K382-E487 WeakPolarHBondContact CB-OE1 3.5Å; K382-E487 WeakPolarHBondContact CG-OE1 3.49Å; K382-E487 PolarHBondContact N-OE1 3.25Å; K382-E487 VanDerWaalsContact O-CG 3.24Å; K382-E487 WeakPolarHBondContact O-CG 3.31Å
488	N	87.5	Confident	89.8	Confident	124 Å²	124	38.9 Å²	38.9	66%	0.663	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	13.4	-180	-57.5	-58.3	0	0	0	112.3	D486 N490	D486-N488 PolarHBondContact O-N 3.33Å; D486-N488 WeakPolarHBondContact OD1-CA 3.49Å; D486-N488 WeakPolarHBondContact OD1-CB 3.15Å; D486-N488 PolarHBondContact OD1-N 3.01Å; N488-N490 PolarHBondContact O-N 3.48Å
489	D	87.5	Confident	90.1	Very high	90 Å²	90	38.9 Å²	38.9	48%	0.481	20%	0.204	S	C	.	.			trans	63.5	16.6	-174.4	-69.1	-51.3	0	0	0	114.9	R386 D486	R386-D489 IonicContact CZ-OD1 3.68Å; R386-D489 IonicContact NH2-OD1 3.59Å; R386-D489 PolarHBondContact NH2-OD1 2.91Å; D486-D489 PolarHBondContact O-N 3.22Å; D486-D489 PolarHBondContact OD1-N 2.94Å; D486-D489 VanDerWaalsContact OD1-N 3.17Å
490	N	89.1	Confident	90	Very high	86 Å²	86	39.2 Å²	39.2	46%	0.46	21%	0.207	S	C	.	.			trans	-74.5	131.7	174.6	-59	-53.6	0	0	0	110.4	I485 D486 N488	I485-N490 VanDerWaalsContact CA-O 3.28Å; I485-N490 WeakPolarHBondContact CA-O 3.5Å; D486-N490 PolarHBondContact N-O 3.5Å; D486-N490 VanDerWaalsContact N-O 3.1Å; D486-N490 WeakPolarHBondContact OD1-CB 3.39Å; D486-N490 PolarHBondContact OD1-N 3.37Å; D486-N490 PolarHBondContact OD1-ND2 3.28Å; D486-N490 WeakPolarHBondContact OD2-CB 3.36Å; D486-N490 PolarHBondContact OD2-ND2 3.49Å; N488-N490 PolarHBondContact O-N 3.48Å
491	E	90	Very high	89.7	Confident	120 Å²	120	39.7 Å²	39.7	56%	0.561	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.8	175.6	170.4	165.3	166.3	0	0	111.6	T483 S494	T483-E491 HydrophobicContact CG2-CB 3.89Å; T483-E491 VanDerWaalsContact CG2-CD 3.44Å; T483-E491 HydrophobicContact CG2-CG 3.4Å; T483-E491 VanDerWaalsContact CG2-CG 3.4Å; E491-S494 VanDerWaalsContact OE1-CB 3.28Å; E491-S494 WeakPolarHBondContact OE1-CB 3.15Å; E491-S494 PolarHBondContact OE1-OG 3.09Å
492	L	87.2	Confident	89.2	Confident	37 Å²	37	39.1 Å²	39.1	19%	0.194	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-37.3	178.3	-56.4	-179.7	0	0	0	112.4	L295 F383 L484 D486	L295-L492 HydrophobicContact CB-CD2 4.05Å; L295-L492 HydrophobicContact CD1-CD2 4.01Å; L295-L492 HydrophobicContact CD2-CD1 3.82Å; L295-L492 HydrophobicContact CD2-CD2 3.69Å; L295-L492 HydrophobicContact CD2-CG 4.42Å; L295-L492 HydrophobicContact CG-CD2 4.11Å; F383-L492 HydrophobicContact CD1-CD1 3.69Å; F383-L492 HydrophobicContact CE1-CD1 3.48Å; F383-L492 VanDerWaalsContact CE1-CD1 3.48Å; L484-L492 HydrophobicContact CD2-CB 4.27Å; L484-L492 HydrophobicContact CD2-CD1 4.16Å; L484-L492 HydrophobicContact CG-CB 4.43Å; L484-L492 HydrophobicContact CG-CD1 4.29Å; L484-L492 PolarHBondContact O-N 2.97Å; D486-L492 HydrophobicContact CB-CD1 4.49Å
493	S	89.8	Confident	88.7	Confident	17 Å²	17	43.1 Å²	43.1	12%	0.119	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	145.5	-179.8	-159.3	0	0	0	0	110.1	G298 K299 L300 T483 L484	G298-S493 PolarHBondContact O-OG 2.96Å; G298-S493 VanDerWaalsContact O-OG 3.06Å; K299-S493 WeakPolarHBondContact CA-OG 3.43Å; L300-S493 PolarHBondContact N-OG 3.18Å; T483-S493 CarbonylContact C-O 3.35Å; T483-S493 WeakPolarHBondContact CA-O 3.36Å; L484-S493 PolarHBondContact N-O 3.06Å
494	S	92.8	Very high	88.2	Confident	61 Å²	61	44.4 Å²	44.4	43%	0.427	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.4	176	66.5	0	0	0	0	111.3	V482 E491	V482-S494 CarbonylContact O-C 3.57Å; V482-S494 VanDerWaalsContact O-CA 3.31Å; V482-S494 WeakPolarHBondContact O-CA 3.2Å; E491-S494 VanDerWaalsContact OE1-CB 3.28Å; E491-S494 WeakPolarHBondContact OE1-CB 3.15Å; E491-S494 PolarHBondContact OE1-OG 3.09Å
495	I	93.3	Very high	87.9	Confident	33 Å²	33	44.4 Å²	44.4	17%	0.169	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.1	166.4	-168.6	166.1	0	0	0	109.6	L300 L302 T481 V482	L300-I495 HydrophobicContact CB-CB 4.49Å; L300-I495 HydrophobicContact CB-CG2 4.37Å; L300-I495 HydrophobicContact CD2-CG2 3.83Å; L300-I495 HydrophobicContact CG-CG2 4.26Å; L302-I495 HydrophobicContact CB-CD1 3.94Å; L302-I495 HydrophobicContact CB-CG2 4.16Å; L302-I495 HydrophobicContact CD1-CG2 4.39Å; T481-I495 CarbonylContact C-O 3.51Å; T481-I495 WeakPolarHBondContact CA-O 3.33Å; V482-I495 HydrophobicContact CB-CG2 3.95Å; V482-I495 HydrophobicContact CG2-CG2 4.5Å; V482-I495 PolarHBondContact N-O 3.29Å; V482-I495 PolarHBondContact O-N 3.01Å
496	E	93	Very high	87.7	Confident	72 Å²	72	48 Å²	48	34%	0.336	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.9	179.3	-169	-171.4	134.3	0	0	110.3	L331 F390 H479 I480	L331-E496 HydrophobicContact CD1-CB 3.89Å; L331-E496 HydrophobicContact CD1-CG 3.9Å; L331-E496 VanDerWaalsContact CD1-O 3.29Å; L331-E496 WeakPolarHBondContact CD1-O 3.15Å; F390-E496 HydrophobicContact CE1-CG 4.19Å; F390-E496 HydrophobicContact CZ-CG 4.13Å; H479-E496 IonicContact CE1-OE1 2.6Å; H479-E496 IonicContact CG-OE1 3.78Å; H479-E496 IonicContact ND1-OE1 3.02Å; H479-E496 PolarHBondContact ND1-OE1 2.82Å; I480-E496 WeakPolarHBondContact O-CA 3.46Å
497	F	92	Very high	87.5	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.4	167.2	67.4	-82.9	0	0	0	110.9	L302 F304 Q332 L334 F463 H479 I480 V482 V499	L302-F497 HydrophobicContact CD1-CD1 3.99Å; L302-F497 HydrophobicContact CD1-CE1 3.81Å; F304-F497 HydrophobicContact CE1-CE2 4.12Å; F304-F497 HydrophobicContact CE1-CZ 4.35Å; F304-F497 HydrophobicContact CE2-CD2 4.28Å; F304-F497 HydrophobicContact CE2-CG 4.49Å; F304-F497 HydrophobicContact CZ-CD1 4.34Å; F304-F497 AromaticContact CZ-CD2 3.58Å; F304-F497 HydrophobicContact CZ-CD2 3.58Å; F304-F497 HydrophobicContact CZ-CE1 4.35Å; F304-F497 AromaticContact CZ-CE2 3.56Å; F304-F497 HydrophobicContact CZ-CE2 3.56Å; F304-F497 AromaticContact CZ-CG 3.96Å; F304-F497 HydrophobicContact CZ-CG 3.96Å; F304-F497 AromaticContact CZ-CZ 3.99Å; F304-F497 HydrophobicContact CZ-CZ 3.99Å; Q332-F497 HydrophobicContact CB-CB 3.99Å; Q332-F497 CarbonylContact O-C 3.42Å; Q332-F497 WeakPolarHBondContact O-CA 2.91Å; Q332-F497 WeakPolarHBondContact O-CB 3.32Å; L334-F497 HydrophobicContact CB-CD2 4.48Å; L334-F497 HydrophobicContact CD2-CE2 4.39Å; F463-F497 HydrophobicContact CE1-CE2 4.26Å; F463-F497 HydrophobicContact CE1-CZ 4.44Å; F463-F497 HydrophobicContact CZ-CE2 4.15Å; F463-F497 HydrophobicContact CZ-CZ 4.35Å; H479-F497 WeakPolarHBondContact CA-O 3.27Å; I480-F497 HydrophobicContact CB-CD1 4.36Å; I480-F497 HydrophobicContact CB-CE1 3.87Å; I480-F497 HydrophobicContact CB-CE2 4.29Å; I480-F497 HydrophobicContact CB-CZ 3.83Å; I480-F497 HydrophobicContact CD1-CE2 3.95Å; I480-F497 HydrophobicContact CD1-CZ 3.86Å; I480-F497 HydrophobicContact CG1-CZ 4.47Å; I480-F497 HydrophobicContact CG2-CE1 3.69Å; I480-F497 HydrophobicContact CG2-CZ 3.84Å; I480-F497 PolarHBondContact N-O 3.35Å; I480-F497 PolarHBondContact O-N 3.39Å; V482-F497 HydrophobicContact CG2-CD1 4.31Å; V482-F497 HydrophobicContact CG2-CE1 3.69Å; F497-V499 HydrophobicContact CD2-CG2 3.5Å; F497-V499 VanDerWaalsContact CD2-CG2 3.5Å; F497-V499 HydrophobicContact CE2-CG2 3.18Å; F497-V499 HydrophobicContact CZ-CG2 4.3Å
498	E	90.2	Very high	87.5	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.5	176.2	-164.5	-154.7	133.3	0	0	110.4	L331 Q332 K333 L334 D477 V478 V500	L331-E498 HydrophobicContact CD2-CB 4.13Å; Q332-E498 PolarHBondContact O-N 2.97Å; K333-E498 CarbonylContact C-O 3.59Å; K333-E498 WeakPolarHBondContact CA-O 3.34Å; K333-E498 HydrophobicContact CB-CB 4.36Å; K333-E498 VanDerWaalsContact CD-OE2 3.27Å; K333-E498 WeakPolarHBondContact CD-OE2 2.9Å; K333-E498 VanDerWaalsContact CE-CD 3.45Å; K333-E498 WeakPolarHBondContact CE-OE1 3.1Å; K333-E498 VanDerWaalsContact CE-OE2 3.32Å; K333-E498 WeakPolarHBondContact CE-OE2 3.12Å; K333-E498 HydrophobicContact CG-CB 4.19Å; K333-E498 HydrophobicContact CG-CG 4.46Å; K333-E498 IonicContact NZ-OE1 2.77Å; K333-E498 PolarHBondContact NZ-OE1 3.42Å; K333-E498 IonicContact NZ-OE2 2.82Å; K333-E498 PolarHBondContact NZ-OE2 2.93Å; L334-E498 PolarHBondContact N-O 3.16Å; D477-E498 HydrophobicContact CB-CG 3.97Å; D477-E498 WeakPolarHBondContact CB-OE1 3.37Å; D477-E498 VanDerWaalsContact OD2-OE1 3.13Å; V478-E498 CarbonylContact O-C 3.59Å; V478-E498 WeakPolarHBondContact O-CA 3.12Å; E498-V500 WeakPolarHBondContact OE1-CG2 3.25Å
499	V	87.5	Confident	87.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	178.6	-176.1	0	0	0	0	112.2	L334 V336 F463 F465 N467 V478 I480 F497	L334-V499 HydrophobicContact CB-CG2 4.41Å; L334-V499 HydrophobicContact CD2-CG2 4.26Å; L334-V499 WeakPolarHBondContact O-CA 3.3Å; V336-V499 HydrophobicContact CG1-CG1 3.77Å; F463-V499 HydrophobicContact CB-CG1 4.43Å; F463-V499 HydrophobicContact CD1-CG1 3.83Å; F463-V499 HydrophobicContact CD1-CG2 4.21Å; F463-V499 HydrophobicContact CE1-CG1 4.24Å; F463-V499 HydrophobicContact CE1-CG2 3.84Å; F463-V499 HydrophobicContact CG-CG1 4.03Å; F463-V499 HydrophobicContact CZ-CG2 4.32Å; F465-V499 HydrophobicContact CZ-CB 4.19Å; F465-V499 HydrophobicContact CZ-CG1 3.83Å; N467-V499 PolarHBondContact ND2-O 3.49Å; V478-V499 PolarHBondContact O-N 3.46Å; I480-V499 HydrophobicContact CD1-CG2 3.69Å; F497-V499 HydrophobicContact CD2-CG2 3.5Å; F497-V499 VanDerWaalsContact CD2-CG2 3.5Å; F497-V499 HydrophobicContact CE2-CG2 3.18Å; F497-V499 HydrophobicContact CZ-CG2 4.3Å
500	V	85.4	Confident	87.6	Confident	20 Å²	20	44.8 Å²	44.8	12%	0.121	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	105.6	172.1	-175.9	0	0	0	0	109.6	K333 L334 F335 V336 E498 C502	K333-V500 HydrophobicContact CG-CG2 4.35Å; L334-V500 PolarHBondContact O-N 2.69Å; F335-V500 CarbonylContact C-O 3.6Å; F335-V500 WeakPolarHBondContact CA-O 3.48Å; F335-V500 HydrophobicContact CD1-CB 3.82Å; F335-V500 HydrophobicContact CD1-CG1 3.89Å; F335-V500 HydrophobicContact CD1-CG2 4.41Å; F335-V500 HydrophobicContact CE1-CB 4.01Å; F335-V500 HydrophobicContact CE1-CG1 4Å; F335-V500 HydrophobicContact CE1-CG2 4.14Å; F335-V500 HydrophobicContact CG-CB 4.38Å; F335-V500 HydrophobicContact CZ-CG2 4.47Å; V336-V500 PolarHBondContact N-O 3.02Å; E498-V500 WeakPolarHBondContact OE1-CG2 3.25Å; V500-C502 HydrophobicContact CG1-CB 4.48Å
501	S	82.7	Confident	87.6	Confident	9 Å²	9	45.5 Å²	45.5	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.9	169.8	-179.3	0	0	0	0	110.6	V336 R338 F465 N467	V336-S501 CarbonylContact O-C 3.6Å; V336-S501 VanDerWaalsContact O-CA 3.31Å; V336-S501 WeakPolarHBondContact O-CA 3.49Å; R338-S501 WeakPolarHBondContact CA-OG 3.39Å; R338-S501 WeakPolarHBondContact CB-OG 3.4Å; F465-S501 WeakPolarHBondContact O-CB 3.45Å; F465-S501 PolarHBondContact O-OG 3.43Å; N467-S501 WeakPolarHBondContact OD1-CB 3.5Å; N467-S501 PolarHBondContact OD1-N 3.16Å
502	C	80.5	Confident	87.6	Confident	14 Å²	14	42 Å²	42	10%	0.095	22%	0.22	C	C	.	.			trans	-147.6	165.1	-176.5	65.8	0	0	0	0	112.9	V336 I337 V500 S504 D508	V336-C502 PolarHBondContact O-N 2.54Å; I337-C502 WeakPolarHBondContact CA-O 3.4Å; V500-C502 HydrophobicContact CG1-CB 4.48Å; C502-S504 VanDerWaalsContact C-N 3.35Å; C502-D508 HydrophobicContact CB-CB 4.47Å; C502-D508 WeakPolarHBondContact CB-OD2 3.45Å
503	A	81.8	Confident	87.7	Confident	83 Å²	83	44.4 Å²	44.4	69%	0.686	23%	0.231	S	C	*	.	S	Bend	trans	-78.7	-18.5	-178.7	0	0	0	0	0	113.4
504	S	83.3	Confident	87.7	Confident	36 Å²	36	47.8 Å²	47.8	25%	0.252	24%	0.244	S	C	.	.			trans	-144.4	82.2	-175.8	-54.7	0	0	0	0	110.7	C502 I506 R507 D508	C502-S504 VanDerWaalsContact C-N 3.35Å; S504-I506 VanDerWaalsContact C-N 3.33Å; S504-I506 PolarHBondContact O-N 2.96Å; S504-R507 PolarHBondContact O-N 2.97Å; S504-R507 PolarHBondContact OG-NH2 2.75Å; S504-D508 WeakPolarHBondContact O-CB 3.44Å; S504-D508 PolarHBondContact O-N 2.81Å
505	P	86.8	Confident	87.5	Confident	1 Å²	1	53 Å²	53	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-54.8	-42.8	-173	-29.2	35.7	0	0	0	114.5	V321 K323 F335 I337 A509	V321-P505 WeakPolarHBondContact O-CG 3.24Å; K323-P505 HydrophobicContact CB-CB 4.23Å; F335-P505 HydrophobicContact CB-CB 3.93Å; I337-P505 HydrophobicContact CD1-CG 4.49Å; I337-P505 HydrophobicContact CG1-CG 3.59Å; P505-A509 WeakPolarHBondContact O-CB 3.28Å; P505-A509 PolarHBondContact O-N 3.21Å
506	I	86.6	Confident	87.3	Confident	78 Å²	78	54.8 Å²	54.8	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-50.6	-179.6	-55.4	176	0	0	0	110.7	K320 S504 D508 A509 H510	K320-I506 HydrophobicContact CB-CD1 3.8Å; K320-I506 HydrophobicContact CB-CG1 3.96Å; K320-I506 HydrophobicContact CD-CD1 3.77Å; K320-I506 HydrophobicContact CD-CG1 4.19Å; K320-I506 HydrophobicContact CG-CD1 3.83Å; K320-I506 HydrophobicContact CG-CG1 4.4Å; S504-I506 VanDerWaalsContact C-N 3.33Å; S504-I506 PolarHBondContact O-N 2.96Å; I506-D508 PolarHBondContact O-N 2.97Å; I506-A509 PolarHBondContact O-N 3.06Å; I506-H510 PolarHBondContact O-N 2.99Å
507	R	84.8	Confident	87.1	Confident	123 Å²	123	57.9 Å²	57.9	46%	0.464	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-44.8	-177.6	-177	-176.6	65	-151.4	-5.3	111.1	S504 H510 R511	S504-R507 PolarHBondContact O-N 2.97Å; S504-R507 PolarHBondContact OG-NH2 2.75Å; R507-H510 PolarHBondContact O-N 2.88Å; R507-R511 WeakPolarHBondContact O-CG 3.5Å; R507-R511 PolarHBondContact O-N 2.83Å
508	D	86.5	Confident	86.9	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.214	29%	0.289	C	S	.	.	H	α-helix	trans	-73.8	-33.5	-175.6	-69.9	7	0	0	0	111.3	F335 C502 S504 I506 R511 Y512	F335-D508 HydrophobicContact CD1-CB 4.07Å; F335-D508 HydrophobicContact CE1-CB 4.33Å; C502-D508 HydrophobicContact CB-CB 4.47Å; C502-D508 WeakPolarHBondContact CB-OD2 3.45Å; S504-D508 WeakPolarHBondContact O-CB 3.44Å; S504-D508 PolarHBondContact O-N 2.81Å; I506-D508 PolarHBondContact O-N 2.97Å; D508-R511 PolarHBondContact O-N 3.04Å; D508-Y512 WeakPolarHBondContact O-CB 3.43Å; D508-Y512 PolarHBondContact O-N 3.43Å
509	A	88	Confident	86.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-44.1	169.1	0	0	0	0	0	112.1	K323 I325 F335 P505 I506 Y512 Q513	K323-A509 HydrophobicContact CB-CB 4.26Å; K323-A509 HydrophobicContact CG-CB 3.7Å; I325-A509 HydrophobicContact CG2-CB 4.22Å; F335-A509 HydrophobicContact CD1-CB 4.44Å; F335-A509 HydrophobicContact CD2-CB 3.67Å; F335-A509 HydrophobicContact CE2-CB 3.95Å; F335-A509 HydrophobicContact CG-CB 3.95Å; F335-A509 HydrophobicContact CZ-CB 4.44Å; P505-A509 WeakPolarHBondContact O-CB 3.28Å; P505-A509 PolarHBondContact O-N 3.21Å; I506-A509 PolarHBondContact O-N 3.06Å; A509-Y512 WeakPolarHBondContact O-CB 3.21Å; A509-Y512 PolarHBondContact O-N 3.31Å; A509-Q513 WeakPolarHBondContact O-CG 3.39Å; A509-Q513 PolarHBondContact O-N 2.81Å
510	H	88.1	Confident	86.5	Confident	97 Å²	97	67 Å²	67	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-45.6	177	-176.8	-96.6	0	0	0	111.8	I506 R507 Y512 Q513 Q514	I506-H510 PolarHBondContact O-N 2.99Å; R507-H510 PolarHBondContact O-N 2.88Å; H510-Y512 VanDerWaalsContact C-N 3.28Å; H510-Y512 PolarHBondContact O-N 2.91Å; H510-Q513 PolarHBondContact O-N 2.93Å; H510-Q514 WeakPolarHBondContact O-CB 3.38Å; H510-Q514 PolarHBondContact O-N 2.94Å
511	R	88.3	Confident	86.5	Confident	101 Å²	101	71.9 Å²	71.9	38%	0.381	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-41.8	174.3	-76.6	177.5	171.8	-172.8	-5.8	111.7	R507 D508 Q514 R515	R507-R511 WeakPolarHBondContact O-CG 3.5Å; R507-R511 PolarHBondContact O-N 2.83Å; D508-R511 PolarHBondContact O-N 3.04Å; R511-Q514 PolarHBondContact O-N 3.31Å; R511-R515 WeakPolarHBondContact O-CB 3.22Å; R511-R515 VanDerWaalsContact O-CG 3.28Å; R511-R515 WeakPolarHBondContact O-CG 3.28Å; R511-R515 PolarHBondContact O-N 3.29Å
512	Y	90.4	Very high	86.6	Confident	47 Å²	47	76.3 Å²	76.3	18%	0.184	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-50.5	174.8	177.2	-89.8	0	0	0	111.4	I325 T327 K333 F335 D508 A509 H510 Q514 R515 Q516	I325-Y512 HydrophobicContact CD1-CD1 3.17Å; I325-Y512 HydrophobicContact CD1-CE1 3.41Å; I325-Y512 VanDerWaalsContact CD1-CE1 3.41Å; I325-Y512 HydrophobicContact CD1-CG 4.18Å; T327-Y512 HydrophobicContact CG2-CE1 4.16Å; K333-Y512 HydrophobicContact CD-CD1 4.43Å; K333-Y512 HydrophobicContact CD-CD2 4.31Å; K333-Y512 HydrophobicContact CD-CE1 4.02Å; K333-Y512 HydrophobicContact CD-CE2 3.91Å; F335-Y512 HydrophobicContact CZ-CD1 4.39Å; F335-Y512 HydrophobicContact CZ-CD2 4.37Å; F335-Y512 AromaticContact CZ-CG 3.91Å; F335-Y512 HydrophobicContact CZ-CG 3.91Å; D508-Y512 WeakPolarHBondContact O-CB 3.43Å; D508-Y512 PolarHBondContact O-N 3.43Å; A509-Y512 WeakPolarHBondContact O-CB 3.21Å; A509-Y512 PolarHBondContact O-N 3.31Å; H510-Y512 VanDerWaalsContact C-N 3.28Å; H510-Y512 PolarHBondContact O-N 2.91Å; Y512-Q514 VanDerWaalsContact C-N 3.31Å; Y512-Q514 PolarHBondContact O-N 3.28Å; Y512-R515 PolarHBondContact O-N 2.93Å; Y512-R515 VanDerWaalsContact O-N 3.16Å; Y512-Q516 HydrophobicContact CD1-CG 3.98Å; Y512-Q516 HydrophobicContact CE1-CG 3.55Å; Y512-Q516 HydrophobicContact CE2-CG 4.31Å; Y512-Q516 WeakPolarHBondContact O-CG 3.13Å; Y512-Q516 PolarHBondContact O-N 3.18Å
513	Q	90	Very high	86.7	Confident	88 Å²	88	82.5 Å²	82.5	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-38.6	178.7	-70.5	179	-58.7	0	0	112.7	I325 A509 H510 Q516 R517	I325-Q513 HydrophobicContact CD1-CG 4.27Å; I325-Q513 HydrophobicContact CG2-CG 4.43Å; A509-Q513 WeakPolarHBondContact O-CG 3.39Å; A509-Q513 PolarHBondContact O-N 2.81Å; H510-Q513 PolarHBondContact O-N 2.93Å; Q513-Q516 PolarHBondContact O-N 3.29Å; Q513-R517 WeakPolarHBondContact O-CG 2.95Å; Q513-R517 PolarHBondContact O-N 3.1Å
514	Q	90.4	Very high	86.6	Confident	87 Å²	87	80.9 Å²	80.9	41%	0.407	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174.4	-174.3	178.8	-2	0	0	111.6	H510 R511 Y512 Q516 R517 I518	H510-Q514 WeakPolarHBondContact O-CB 3.38Å; H510-Q514 PolarHBondContact O-N 2.94Å; R511-Q514 PolarHBondContact O-N 3.31Å; Y512-Q514 VanDerWaalsContact C-N 3.31Å; Y512-Q514 PolarHBondContact O-N 3.28Å; Q514-Q516 VanDerWaalsContact C-N 3.34Å; Q514-Q516 PolarHBondContact O-N 3.47Å; Q514-R517 PolarHBondContact O-N 3.36Å; Q514-I518 HydrophobicContact CG-CD1 4.09Å; Q514-I518 WeakPolarHBondContact O-CG1 3.42Å; Q514-I518 PolarHBondContact O-N 3.46Å
515	R	89	Confident	86.4	Confident	170 Å²	170	85.2 Å²	85.2	64%	0.642	40%	0.397	S	S	*	.	H	α-helix	trans	-62.1	-39.9	175.6	-73.1	172.3	-178.1	175.7	-0.7	112.5	R511 Y512 I518 A519	R511-R515 WeakPolarHBondContact O-CB 3.22Å; R511-R515 VanDerWaalsContact O-CG 3.28Å; R511-R515 WeakPolarHBondContact O-CG 3.28Å; R511-R515 PolarHBondContact O-N 3.29Å; Y512-R515 PolarHBondContact O-N 2.93Å; Y512-R515 VanDerWaalsContact O-N 3.16Å; R515-I518 PolarHBondContact O-N 3.19Å; R515-A519 WeakPolarHBondContact O-CB 3.34Å; R515-A519 PolarHBondContact O-N 2.91Å
516	Q	88.3	Confident	85.9	Confident	72 Å²	72	92.5 Å²	92.5	34%	0.336	43%	0.428	S	S	.	.	H	α-helix	trans	-61.7	-47.8	174.7	-66.1	-56.5	-48.3	0	0	110.9	Y512 Q513 Q514 I518 A519 E520	Y512-Q516 HydrophobicContact CD1-CG 3.98Å; Y512-Q516 HydrophobicContact CE1-CG 3.55Å; Y512-Q516 HydrophobicContact CE2-CG 4.31Å; Y512-Q516 WeakPolarHBondContact O-CG 3.13Å; Y512-Q516 PolarHBondContact O-N 3.18Å; Q513-Q516 PolarHBondContact O-N 3.29Å; Q514-Q516 VanDerWaalsContact C-N 3.34Å; Q514-Q516 PolarHBondContact O-N 3.47Å; Q516-I518 VanDerWaalsContact C-N 3.33Å; Q516-I518 PolarHBondContact O-N 2.7Å; Q516-A519 PolarHBondContact O-N 2.82Å; Q516-E520 VanDerWaalsContact O-CG 3.22Å; Q516-E520 WeakPolarHBondContact O-CG 3.49Å; Q516-E520 PolarHBondContact O-N 2.88Å
517	R	88.6	Confident	85	Confident	137 Å²	137	92.4 Å²	92.4	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-57.3	-43.3	176.5	-75.2	-174.7	-72.6	163.5	-5.2	112.9	Q513 Q514 E520 L521	Q513-R517 WeakPolarHBondContact O-CG 2.95Å; Q513-R517 PolarHBondContact O-N 3.1Å; Q514-R517 PolarHBondContact O-N 3.36Å; R517-E520 PolarHBondContact O-N 3.34Å; R517-L521 WeakPolarHBondContact O-CG 3.41Å; R517-L521 PolarHBondContact O-N 3.15Å; R517-L521 VanDerWaalsContact O-N 3.11Å
518	I	87.3	Confident	83.9	Confident	77 Å²	77	92.8 Å²	92.8	40%	0.395	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-47.2	177.8	-66.3	165.6	0	0	0	110.6	Q514 R515 Q516 E520 L521 E522	Q514-I518 HydrophobicContact CG-CD1 4.09Å; Q514-I518 WeakPolarHBondContact O-CG1 3.42Å; Q514-I518 PolarHBondContact O-N 3.46Å; R515-I518 PolarHBondContact O-N 3.19Å; Q516-I518 VanDerWaalsContact C-N 3.33Å; Q516-I518 PolarHBondContact O-N 2.7Å; I518-E520 PolarHBondContact O-N 3.45Å; I518-L521 PolarHBondContact O-N 3.17Å; I518-L521 VanDerWaalsContact O-N 3.1Å; I518-E522 HydrophobicContact CG2-CG 4.44Å; I518-E522 PolarHBondContact O-N 2.98Å
519	A	84.1	Confident	82.1	Confident	51 Å²	51	98 Å²	98	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-60.6	-34.1	179	0	0	0	0	0	112.6	R515 Q516 F523	R515-A519 WeakPolarHBondContact O-CB 3.34Å; R515-A519 PolarHBondContact O-N 2.91Å; Q516-A519 PolarHBondContact O-N 2.82Å; A519-F523 WeakPolarHBondContact O-CB 3.49Å; A519-F523 PolarHBondContact O-N 3.42Å
520	E	85.6	Confident	80	Confident	74 Å²	74	106.2 Å²	106.2	35%	0.346	50%	0.498	S	S	.	.	H	α-helix	trans	-67.6	-43.4	173.5	-67.2	166.2	72.4	0	0	112.9	K328 Q516 R517 I518 F523 A524	K328-E520 WeakPolarHBondContact CE-OE1 3.47Å; K328-E520 WeakPolarHBondContact CE-OE2 3.38Å; K328-E520 VanDerWaalsContact NZ-CG 3.25Å; K328-E520 IonicContact NZ-OE1 2.54Å; K328-E520 PolarHBondContact NZ-OE1 3.14Å; K328-E520 IonicContact NZ-OE2 3.59Å; Q516-E520 VanDerWaalsContact O-CG 3.22Å; Q516-E520 WeakPolarHBondContact O-CG 3.49Å; Q516-E520 PolarHBondContact O-N 2.88Å; R517-E520 PolarHBondContact O-N 3.34Å; I518-E520 PolarHBondContact O-N 3.45Å; E520-F523 PolarHBondContact O-N 3.26Å; E520-A524 WeakPolarHBondContact O-CB 3.35Å; E520-A524 PolarHBondContact O-N 3.25Å
521	L	85.6	Confident	77.7	Confident	123 Å²	123	106.9 Å²	106.9	64%	0.644	51%	0.509	S	S	*	.	H	α-helix	trans	-62.9	-44.5	177.2	-72.1	170.6	0	0	0	110.6	R517 I518 F523 A524 E525	R517-L521 WeakPolarHBondContact O-CG 3.41Å; R517-L521 PolarHBondContact O-N 3.15Å; R517-L521 VanDerWaalsContact O-N 3.11Å; I518-L521 PolarHBondContact O-N 3.17Å; I518-L521 VanDerWaalsContact O-N 3.1Å; L521-F523 VanDerWaalsContact C-N 3.32Å; L521-F523 PolarHBondContact O-N 3.05Å; L521-A524 PolarHBondContact O-N 3.1Å; L521-E525 WeakPolarHBondContact O-CB 3.36Å; L521-E525 PolarHBondContact O-N 3.28Å
522	E	85.4	Confident	75.3	Confident	102 Å²	102	109.5 Å²	109.5	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-38.1	175.2	-71.1	-179	-166.6	0	0	112.3	I518 K526	I518-E522 HydrophobicContact CG2-CG 4.44Å; I518-E522 PolarHBondContact O-N 2.98Å; E522-K526 WeakPolarHBondContact O-CB 3.38Å; E522-K526 VanDerWaalsContact O-CG 3.31Å; E522-K526 WeakPolarHBondContact O-CG 3.31Å; E522-K526 PolarHBondContact O-N 3.23Å; E522-K526 VanDerWaalsContact O-N 3.13Å
523	F	81.4	Confident	72.8	Confident	145 Å²	145	113.2 Å²	113.2	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-68.8	-39	175.1	-174.6	-96.6	0	0	0	111.9	A519 E520 L521 N527	A519-F523 WeakPolarHBondContact O-CB 3.49Å; A519-F523 PolarHBondContact O-N 3.42Å; E520-F523 PolarHBondContact O-N 3.26Å; L521-F523 VanDerWaalsContact C-N 3.32Å; L521-F523 PolarHBondContact O-N 3.05Å; F523-N527 WeakPolarHBondContact CD1-ND2 3.45Å; F523-N527 WeakPolarHBondContact CE1-ND2 3.37Å; F523-N527 VanDerWaalsContact CZ-ND2 3.28Å; F523-N527 WeakPolarHBondContact CZ-ND2 3.38Å; F523-N527 PolarHBondContact O-N 2.84Å; F523-N527 PolarHBondContact O-ND2 2.94Å
524	A	80.7	Confident	70	Confident	48 Å²	48	115.8 Å²	115.8	40%	0.397	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-44	176.9	0	0	0	0	0	111.6	E520 L521 K526 N527 L528	E520-A524 WeakPolarHBondContact O-CB 3.35Å; E520-A524 PolarHBondContact O-N 3.25Å; L521-A524 PolarHBondContact O-N 3.1Å; A524-K526 PolarHBondContact O-N 3.27Å; A524-N527 CarbonylContact O-C 3.6Å; A524-N527 PolarHBondContact O-N 3.11Å; A524-N527 VanDerWaalsContact O-N 3.12Å; A524-L528 PolarHBondContact O-N 2.84Å
525	E	79.7	Confident	67.3	Low	127 Å²	127	117.4 Å²	117.4	59%	0.593	59%	0.59	S	S	*	*	H	α-helix	trans	-63	-42.5	178.9	-168.5	175.6	-167.1	0	0	111.7	L521 N527 L528	L521-E525 WeakPolarHBondContact O-CB 3.36Å; L521-E525 PolarHBondContact O-N 3.28Å; E525-N527 PolarHBondContact O-N 3.44Å; E525-L528 PolarHBondContact O-N 3.22Å
526	K	75.4	Confident	64.5	Low	155 Å²	155	116.3 Å²	116.3	67%	0.674	60%	0.597	S	S	*	*	H	α-helix	trans	-62.5	-27.5	174.4	-76.6	175.2	-178.3	169.2	0	113.5	E522 A524	E522-K526 WeakPolarHBondContact O-CB 3.38Å; E522-K526 VanDerWaalsContact O-CG 3.31Å; E522-K526 WeakPolarHBondContact O-CG 3.31Å; E522-K526 PolarHBondContact O-N 3.23Å; E522-K526 VanDerWaalsContact O-N 3.13Å; A524-K526 PolarHBondContact O-N 3.27Å
527	N	68.1	Low	61.7	Low	75 Å²	75	117.6 Å²	117.6	40%	0.401	61%	0.614	S	S	.	*	H	α-helix	trans	-93.2	-19.9	179	-71.4	-53.7	0	0	0	113.5	F523 A524 E525 H529 K530	F523-N527 WeakPolarHBondContact CD1-ND2 3.45Å; F523-N527 WeakPolarHBondContact CE1-ND2 3.37Å; F523-N527 VanDerWaalsContact CZ-ND2 3.28Å; F523-N527 WeakPolarHBondContact CZ-ND2 3.38Å; F523-N527 PolarHBondContact O-N 2.84Å; F523-N527 PolarHBondContact O-ND2 2.94Å; A524-N527 CarbonylContact O-C 3.6Å; A524-N527 PolarHBondContact O-N 3.11Å; A524-N527 VanDerWaalsContact O-N 3.12Å; E525-N527 PolarHBondContact O-N 3.44Å; N527-H529 VanDerWaalsContact C-N 3.29Å; N527-H529 PolarHBondContact O-N 3Å; N527-K530 PolarHBondContact O-N 2.87Å
528	L	60.4	Low	58.9	Low	132 Å²	132	118.3 Å²	118.3	69%	0.691	63%	0.627	S	S	*	*	H	α-helix	trans	-67.1	-29.3	178.5	-133	94.4	0	0	0	112.7	A524 E525 K530	A524-L528 PolarHBondContact O-N 2.84Å; E525-L528 PolarHBondContact O-N 3.22Å; L528-K530 VanDerWaalsContact C-N 3.28Å; L528-K530 PolarHBondContact O-N 3.3Å
529	H	49.9	Very low	56.2	Low	150 Å²	150	123.7 Å²	123.7	69%	0.694	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	10.9	-179.9	-67.8	-57.1	0	0	0	115	N527 T531	N527-H529 VanDerWaalsContact C-N 3.29Å; N527-H529 PolarHBondContact O-N 3Å; H529-T531 PolarHBondContact O-N 2.8Å
530	K	42.5	Very low	53.3	Low	173 Å²	173	127.9 Å²	127.9	75%	0.752	66%	0.659	S	S	*	*			trans	-92.7	52.6	162.9	-75.1	-177.1	178.7	175.5	0	110.7	N527 L528 N532	N527-K530 PolarHBondContact O-N 2.87Å; L528-K530 VanDerWaalsContact C-N 3.28Å; L528-K530 PolarHBondContact O-N 3.3Å; K530-N532 PolarHBondContact O-N 3.42Å
531	T	41.5	Very low	50.6	Low	111 Å²	111	135.8 Å²	135.8	68%	0.681	69%	0.686	S	S	*	*			trans	-69.1	116.8	159.8	-37.4	0	0	0	0	106.3	H529 V533	H529-T531 PolarHBondContact O-N 2.8Å; T531-V533 PolarHBondContact O-N 3.13Å
532	N	38.1	Very low	47.7	Very low	155 Å²	155	135 Å²	135	83%	0.829	68%	0.682	S	S	*	*			trans	-48.3	113.9	168.6	-90.6	-12.9	0	0	0	107.6	K530 N534	K530-N532 PolarHBondContact O-N 3.42Å; N532-N534 VanDerWaalsContact C-N 3.27Å; N532-N534 PolarHBondContact O-N 3.12Å
533	V	37.5	Very low	45	Very low	126 Å²	126	139 Å²	139	76%	0.764	70%	0.701	S	S	*	*			trans	-65.3	98.4	170	-178.6	0	0	0	0	105.3	T531 T535	T531-V533 PolarHBondContact O-N 3.13Å; V533-T535 HydrophobicContact CG1-CG2 4.35Å; V533-T535 PolarHBondContact O-N 2.9Å
534	N	31.7	Very low	42.3	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	71%	0.708	S	S	*	*			trans	-68.8	101.8	167.4	-137.8	31.9	0	0	0	105.3	N532 D536	N532-N534 VanDerWaalsContact C-N 3.27Å; N532-N534 PolarHBondContact O-N 3.12Å; N534-D536 PolarHBondContact O-N 3.49Å
535	T	33.1	Very low	39.8	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	73%	0.73	S	S	*	*			trans	-71.1	78.3	178.2	44.8	0	0	0	0	109.5	V533	V533-T535 HydrophobicContact CG1-CG2 4.35Å; V533-T535 PolarHBondContact O-N 2.9Å
536	D	29.2	Very low	37.2	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	74%	0.742	S	S	*	*			trans	-143.5	74.1	167.1	-84.6	-32.6	0	0	0	108.4	N534	N534-D536 PolarHBondContact O-N 3.49Å
537	S	31.1	Very low	34.9	Very low	99 Å²	99	146 Å²	146	69%	0.692	75%	0.752	S	S	*	*			trans	-170.8	94.6	154.9	-177.8	0	0	0	0	109	F539	S537-F539 PolarHBondContact O-N 3.29Å; S537-F539 VanDerWaalsContact O-N 3.13Å
538	L	29	Very low	32.8	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	77%	0.768	S	S	*	*			trans	-53.8	98.2	162.1	-179.2	71.2	0	0	0	109.9
539	F	30.2	Very low	31.1	Very low	191 Å²	191	147.3 Å²	147.3	84%	0.838	77%	0.773	S	S	*	*			trans	-127.2	87.4	155.7	-95.2	-80.9	0	0	0	109.2	S537 W541	S537-F539 PolarHBondContact O-N 3.29Å; S537-F539 VanDerWaalsContact O-N 3.13Å; F539-W541 PolarHBondContact O-N 3.41Å
540	E	24.1	Very low	30	Very low	138 Å²	138	145.5 Å²	145.5	65%	0.645	78%	0.777	S	S	*	*			trans	-62	108.8	163.7	-174.1	174.7	-155.7	0	0	108.9
541	W	29.2	Very low	29.1	Very low	241 Å²	241	145.8 Å²	145.8	91%	0.913	78%	0.781	S	S	*	*			trans	-125.2	108.4	148.9	-106.8	69.2	0	0	0	107.8	F539 H543	F539-W541 PolarHBondContact O-N 3.41Å; W541-H543 PolarHBondContact O-N 3.39Å
542	D	23.1	Very low	28.4	Very low	107 Å²	107	145.5 Å²	145.5	57%	0.572	78%	0.784	S	S	*	*			trans	-52.9	125.1	176.8	-74.6	-54.9	0	0	0	112.8
543	H	30.5	Very low	27.8	Very low	186 Å²	186	145.2 Å²	145.2	86%	0.861	79%	0.788	S	S	*	*			trans	-129.4	106.2	130.5	-85	-55	0	0	0	109.1	W541 T545	W541-H543 PolarHBondContact O-N 3.39Å; H543-T545 PolarHBondContact O-N 3.26Å
544	Q	23	Very low	27.4	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.794	78%	0.782	S	S	*	*			trans	-44.2	119.8	161.8	-67.3	171.6	-11.8	0	0	110.5
545	T	28.8	Very low	27.1	Very low	140 Å²	140	147 Å²	147	86%	0.859	79%	0.79	S	S	*	*			trans	-158.4	100.2	132.9	13.4	0	0	0	0	107.8	H543 Q547	H543-T545 PolarHBondContact O-N 3.26Å; T545-Q547 PolarHBondContact O-N 2.94Å
546	S	24.1	Very low	26.9	Very low	119 Å²	119	148.2 Å²	148.2	83%	0.832	79%	0.791	S	S	*	*			trans	-52.1	120.6	170.9	-38.1	0	0	0	0	110.2
547	Q	27.4	Very low	26.7	Very low	192 Å²	192	145.9 Å²	145.9	90%	0.897	79%	0.786	S	S	*	*			trans	-151.6	117.2	137.6	-109.8	172.7	23.5	0	0	109.7	T545	T545-Q547 PolarHBondContact O-N 2.94Å
548	S	25.3	Very low	26.5	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	80%	0.796	S	S	*	*			trans	-64	132.3	-173.7	45.6	0	0	0	0	113	S550	S548-S550 PolarHBondContact O-N 3.02Å
549	V	23.6	Very low	26.4	Very low	129 Å²	129	146.7 Å²	146.7	78%	0.782	79%	0.788	S	S	*	*			trans	-31.8	115.1	153.6	179.6	0	0	0	0	111.9	Q551	V549-Q551 HydrophobicContact CG1-CG 4.11Å
550	S	26.9	Very low	26.2	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	79%	0.79	S	S	*	*			trans	-117.7	108	155.6	-60.8	0	0	0	0	107.6	S548 S552	S548-S550 PolarHBondContact O-N 3.02Å; S550-S552 PolarHBondContact O-N 3.3Å
551	Q	24.1	Very low	26.4	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	80%	0.799	S	S	*	*			trans	-59.8	123.1	174.2	-65.7	165.6	-19.4	0	0	109.6	V549	V549-Q551 HydrophobicContact CG1-CG 4.11Å
552	S	27.9	Very low	26.1	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	79%	0.789	S	S	*	*			trans	-137.6	116.9	150.8	100.8	0	0	0	0	108.5	S550 S554	S550-S552 PolarHBondContact O-N 3.3Å; S552-S554 PolarHBondContact O-N 2.84Å
553	T	24	Very low	26.2	Very low	149 Å²	149	140.5 Å²	140.5	91%	0.914	80%	0.799	S	S	*	*			trans	-75.7	98.5	-175.7	39.4	0	0	0	0	109.9
554	S	28.6	Very low	25.9	Very low	92 Å²	92	139 Å²	139	64%	0.643	80%	0.798	S	S	*	*			trans	-137.5	118.2	155.7	58.3	0	0	0	0	109.7	S552 L556	S552-S554 PolarHBondContact O-N 2.84Å; S554-L556 PolarHBondContact O-N 3.3Å
555	K	26.8	Very low	26.1	Very low	213 Å²	213	136.7 Å²	136.7	93%	0.926	80%	0.8	S	S	*	*			trans	-62.4	91.9	176.2	-76.7	171.9	170.2	175	0	109.4
556	L	27.7	Very low	26.2	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	80%	0.8	S	S	*	*			trans	-139.4	121.4	167	-77.8	175.1	0	0	0	112.2	S554	S554-L556 PolarHBondContact O-N 3.3Å
557	S	24.9	Very low	26.2	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	79%	0.793	S	S	*	*			trans	53.3	103.8	149.5	54.8	0	0	0	0	119	S559	S557-S559 VanDerWaalsContact C-N 3.28Å; S557-S559 PolarHBondContact O-N 2.84Å
558	I	27.9	Very low	26.2	Very low	178 Å²	178	134.3 Å²	134.3	91%	0.913	80%	0.795	S	S	*	*			trans	-63	90.3	153.7	-58.4	161.3	0	0	0	107.5
559	S	26.9	Very low	26.1	Very low	89 Å²	89	132.9 Å²	132.9	62%	0.622	80%	0.797	S	S	*	*			trans	-158.9	83.7	166.4	-69.1	0	0	0	0	104.9	S557	S557-S559 VanDerWaalsContact C-N 3.28Å; S557-S559 PolarHBondContact O-N 2.84Å
560	D	25.9	Very low	26.1	Very low	162 Å²	162	132 Å²	132	87%	0.866	80%	0.796	S	S	*	*			trans	177.2	40.1	158.2	-85.3	-18.3	0	0	0	112.5
561	I	27	Very low	26.2	Very low	164 Å²	164	134 Å²	134	84%	0.841	80%	0.797	S	S	*	*			trans	-120.4	96.8	159.7	-54.9	178.3	0	0	0	107.6	P563	I561-P563 WeakPolarHBondContact O-CD 3.49Å
562	S	23.3	Very low	26.3	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	80%	0.797	S	S	*	*			trans	-75.3	114.3	170.4	-44.1	0	0	0	0	108.9	N564	S562-N564 VanDerWaalsContact C-N 3.28Å; S562-N564 PolarHBondContact O-N 2.8Å; S562-N564 VanDerWaalsContact O-N 3.11Å
563	P	26.7	Very low	26.1	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	80%	0.798	S	S	*	*			trans	-86.7	77.1	169.5	34	-27.3	0	0	0	108.6	I561	I561-P563 WeakPolarHBondContact O-CD 3.49Å
564	N	24.1	Very low	26.3	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	79%	0.792	S	S	*	*			trans	-101.1	83.9	156.1	-87.1	2.8	0	0	0	107.2	S562	S562-N564 VanDerWaalsContact C-N 3.28Å; S562-N564 PolarHBondContact O-N 2.8Å; S562-N564 VanDerWaalsContact O-N 3.11Å
565	S	25.6	Very low	26.2	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	80%	0.803	S	S	*	*			trans	159.4	88.8	146.8	64.3	0	0	0	0	111.8
566	S	31.3	Very low	26.3	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	79%	0.791	S	S	*	*			trans	-142.9	112	141.2	54.1	0	0	0	0	106.8
567	G	24.5	Very low	26.3	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	79%	0.791	S	S	*	*			trans	-69.4	149.9	-173.9	0	0	0	0	0	112.7
568	F	26.9	Very low	26.5	Very low	211 Å²	211	131 Å²	131	93%	0.925	78%	0.777	S	S	*	*			trans	25.8	104.9	132.6	-78.2	-92.3	0	0	0	116.5
569	G	22.9	Very low	26.6	Very low	76 Å²	76	128 Å²	128	78%	0.784	77%	0.767	S	S	*	*			trans	-158.5	98.2	167.7	0	0	0	0	0	112.5
570	S	24.9	Very low	26.9	Very low	110 Å²	110	127.6 Å²	127.6	77%	0.769	76%	0.764	S	S	*	*			trans	87.2	68.8	163.9	-148.4	0	0	0	0	118.8	Y572	S570-Y572 PolarHBondContact O-N 3.18Å; S570-Y572 VanDerWaalsContact O-N 3.15Å
571	L	28.2	Very low	27.5	Very low	155 Å²	155	128.7 Å²	128.7	81%	0.812	76%	0.764	S	S	*	*			trans	-72.9	68.5	149.2	-75.2	166.9	0	0	0	110.5
572	Y	26.4	Very low	28	Very low	211 Å²	211	128.5 Å²	128.5	83%	0.827	76%	0.759	S	S	*	*			trans	-153.8	85.1	162.1	-82.6	-71.6	0	0	0	111.1	S570	S570-Y572 PolarHBondContact O-N 3.18Å; S570-Y572 VanDerWaalsContact O-N 3.15Å
573	S	24.4	Very low	28.8	Very low	110 Å²	110	128 Å²	128	77%	0.769	75%	0.748	S	S	*	*			trans	-140.7	116.2	146.1	-69.5	0	0	0	0	106.3	L575	S573-L575 PolarHBondContact O-N 3.16Å
574	P	26.7	Very low	29.6	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	74%	0.735	S	S	*	*			trans	-65.3	127	-174.9	26.2	-30.2	0	0	0	108.9	L576	P574-L576 PolarHBondContact O-N 3.04Å
575	L	27.8	Very low	30.5	Very low	167 Å²	167	127.6 Å²	127.6	87%	0.874	73%	0.729	S	S	*	*			trans	-53.7	112.3	170.9	-83	93.9	0	0	0	108.9	S573 S577	S573-L575 PolarHBondContact O-N 3.16Å; L575-S577 PolarHBondContact O-N 3.48Å
576	L	28.4	Very low	31.1	Very low	129 Å²	129	126.5 Å²	126.5	68%	0.675	71%	0.714	S	S	*	*			trans	-68.4	119.6	170.4	-128.5	80.8	0	0	0	107.7	P574 I578	P574-L576 PolarHBondContact O-N 3.04Å; L576-I578 HydrophobicContact CB-CG1 4.13Å; L576-I578 HydrophobicContact CD2-CG1 4.47Å; L576-I578 PolarHBondContact O-N 3.35Å
577	S	27.1	Very low	31.4	Very low	112 Å²	112	123.8 Å²	123.8	78%	0.783	69%	0.687	S	S	*	*			trans	-78	99.5	173.9	-31.3	0	0	0	0	106.9	L575	L575-S577 PolarHBondContact O-N 3.48Å
578	I	30.1	Very low	32.1	Very low	72 Å²	72	125.6 Å²	125.6	37%	0.369	68%	0.681	S	S	.	*			trans	-99.3	101.3	-175.5	-42.9	174.7	0	0	0	108.8	L576 D583	L576-I578 HydrophobicContact CB-CG1 4.13Å; L576-I578 HydrophobicContact CD2-CG1 4.47Å; L576-I578 PolarHBondContact O-N 3.35Å; I578-D583 HydrophobicContact CG2-CB 4.25Å
579	T	29.4	Very low	32.8	Very low	115 Å²	115	122.1 Å²	122.1	71%	0.706	67%	0.667	S	S	*	*			trans	-86.4	131.8	165.2	48.1	0	0	0	0	109.1
580	S	32.4	Very low	33.5	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	66%	0.66	S	S	*	*	S	Bend	trans	78.8	137.2	171.1	85.5	0	0	0	0	118.3	E582	S580-E582 PolarHBondContact O-N 3.38Å
581	E	39.4	Very low	34	Very low	184 Å²	184	126 Å²	126	86%	0.86	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-8.7	-170	-67.2	-176.3	151.3	0	0	114.8
582	E	38	Very low	34.6	Very low	161 Å²	161	124.6 Å²	124.6	75%	0.752	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-29	-178.4	-80.8	174.2	150.4	0	0	113.7	S580 H584 F585	S580-E582 PolarHBondContact O-N 3.38Å; E582-H584 VanDerWaalsContact C-N 3.29Å; E582-H584 PolarHBondContact O-N 2.77Å; E582-F585 PolarHBondContact O-N 3.42Å
583	D	39.3	Very low	35	Very low	88 Å²	88	117.8 Å²	117.8	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-75.5	-18.4	179.7	-77.9	-27.8	0	0	0	113.2	I578 F585 N586 E587	I578-D583 HydrophobicContact CG2-CB 4.25Å; D583-F585 VanDerWaalsContact C-N 3.3Å; D583-F585 PolarHBondContact O-N 3.41Å; D583-N586 PolarHBondContact O-N 3.29Å; D583-E587 PolarHBondContact O-N 3.36Å; D583-E587 VanDerWaalsContact O-N 3.1Å
584	H	43.2	Very low	35.5	Very low	110 Å²	110	122.3 Å²	122.3	51%	0.509	63%	0.631	S	S	.	*	H	α-helix	trans	-67	-28	176.8	-110.9	-53.3	0	0	0	113.4	E582 L588	E582-H584 VanDerWaalsContact C-N 3.29Å; E582-H584 PolarHBondContact O-N 2.77Å; H584-L588 PolarHBondContact O-N 2.98Å
585	F	43.7	Very low	35.9	Very low	158 Å²	158	123.1 Å²	123.1	69%	0.693	63%	0.629	S	S	*	*	H	α-helix	trans	-79.7	-30.6	178.6	-117.2	-82.2	0	0	0	112.6	E582 D583	E582-F585 PolarHBondContact O-N 3.42Å; D583-F585 VanDerWaalsContact C-N 3.3Å; D583-F585 PolarHBondContact O-N 3.41Å
586	N	37.4	Very low	36.1	Very low	100 Å²	100	123.9 Å²	123.9	54%	0.535	63%	0.628	S	S	.	*	H	α-helix	trans	-76.5	-34.5	175.7	-72.6	-28.6	0	0	0	111.6	D583 Q589 L590	D583-N586 PolarHBondContact O-N 3.29Å; N586-Q589 PolarHBondContact O-N 3.37Å; N586-L590 PolarHBondContact O-N 3.01Å; N586-L590 VanDerWaalsContact O-N 3.08Å
587	E	38.8	Very low	36.2	Very low	66 Å²	66	121.1 Å²	121.1	31%	0.308	62%	0.624	S	S	.	*	H	α-helix	trans	-71.9	-33.5	179.1	-154.5	178.2	-156.5	0	0	112.6	D583 Q589 L590 Y591	D583-E587 PolarHBondContact O-N 3.36Å; D583-E587 VanDerWaalsContact O-N 3.1Å; E587-Q589 VanDerWaalsContact C-N 3.29Å; E587-Q589 PolarHBondContact O-N 3.43Å; E587-L590 CarbonylContact O-C 3.56Å; E587-L590 WeakPolarHBondContact O-CB 3.4Å; E587-L590 PolarHBondContact O-N 3.39Å; E587-L590 VanDerWaalsContact O-N 3.17Å; E587-Y591 PolarHBondContact O-N 3.07Å
588	L	38.5	Very low	36.2	Very low	103 Å²	103	121 Å²	121	54%	0.539	62%	0.623	S	S	.	*	H	α-helix	trans	-64.6	-32.9	171.4	-83.7	168	0	0	0	112.5	H584 L592	H584-L588 PolarHBondContact O-N 2.98Å; L588-L592 WeakPolarHBondContact O-CB 3.32Å; L588-L592 WeakPolarHBondContact O-CD1 3.23Å; L588-L592 VanDerWaalsContact O-CG 3.25Å; L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 3.22Å
589	Q	41.9	Very low	36	Very low	138 Å²	138	124 Å²	124	65%	0.645	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-35.7	171.8	-71.3	-149.1	43.3	0	0	112.4	N586 E587 A593	N586-Q589 PolarHBondContact O-N 3.37Å; E587-Q589 VanDerWaalsContact C-N 3.29Å; E587-Q589 PolarHBondContact O-N 3.43Å; Q589-A593 VanDerWaalsContact O-CB 3.27Å; Q589-A593 WeakPolarHBondContact O-CB 3.25Å; Q589-A593 PolarHBondContact O-N 3.27Å
590	L	37.2	Very low	35.8	Very low	120 Å²	120	124.2 Å²	124.2	63%	0.628	65%	0.648	S	S	*	*	H	α-helix	trans	-67.6	-38.5	173	-98.9	149.5	0	0	0	112.5	N586 E587 A593 R594	N586-L590 PolarHBondContact O-N 3.01Å; N586-L590 VanDerWaalsContact O-N 3.08Å; E587-L590 CarbonylContact O-C 3.56Å; E587-L590 WeakPolarHBondContact O-CB 3.4Å; E587-L590 PolarHBondContact O-N 3.39Å; E587-L590 VanDerWaalsContact O-N 3.17Å; L590-A593 PolarHBondContact O-N 2.97Å; L590-R594 WeakPolarHBondContact O-CB 3.45Å; L590-R594 PolarHBondContact O-N 3.28Å
591	Y	35.8	Very low	35.4	Very low	147 Å²	147	125.8 Å²	125.8	58%	0.576	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-38.1	176.4	-114.4	-83.6	0	0	0	112.2	E587 R594	E587-Y591 PolarHBondContact O-N 3.07Å; Y591-R594 PolarHBondContact O-N 2.97Å
592	L	39.8	Very low	34.5	Very low	126 Å²	126	124.9 Å²	124.9	66%	0.66	66%	0.655	S	S	*	*	H	α-helix	trans	-68.9	-38.8	173.3	-71.8	166.3	0	0	0	111.6	L588 R594 N595	L588-L592 WeakPolarHBondContact O-CB 3.32Å; L588-L592 WeakPolarHBondContact O-CD1 3.23Å; L588-L592 VanDerWaalsContact O-CG 3.25Å; L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 3.22Å; L592-R594 VanDerWaalsContact C-N 3.27Å; L592-R594 PolarHBondContact O-N 2.92Å; L592-N595 PolarHBondContact O-N 3.43Å
593	A	35.7	Very low	33.9	Very low	69 Å²	69	126 Å²	126	57%	0.57	66%	0.66	S	S	*	*	H	α-helix	trans	-66.8	-27.1	175.7	0	0	0	0	0	113.2	Q589 L590	Q589-A593 VanDerWaalsContact O-CB 3.27Å; Q589-A593 WeakPolarHBondContact O-CB 3.25Å; Q589-A593 PolarHBondContact O-N 3.27Å; L590-A593 PolarHBondContact O-N 2.97Å
594	R	36	Very low	32.9	Very low	204 Å²	204	127 Å²	127	77%	0.77	67%	0.669	S	S	*	*	H	α-helix	trans	-80.2	-20.5	-178.3	-143.8	172.7	-170.3	169.5	1.9	113.7	L590 Y591 L592	L590-R594 WeakPolarHBondContact O-CB 3.45Å; L590-R594 PolarHBondContact O-N 3.28Å; Y591-R594 PolarHBondContact O-N 2.97Å; L592-R594 VanDerWaalsContact C-N 3.27Å; L592-R594 PolarHBondContact O-N 2.92Å
595	N	34.9	Very low	31.8	Very low	137 Å²	137	128 Å²	128	73%	0.733	68%	0.684	S	S	*	*	S	Bend	trans	-91	-3.9	-178.8	-78.7	-8.9	0	0	0	114.5	L592	L592-N595 PolarHBondContact O-N 3.43Å
596	E	31.2	Very low	30.7	Very low	183 Å²	183	124.7 Å²	124.7	86%	0.855	69%	0.685	S	S	*	*	S	Bend	trans	-103.8	1.7	177.5	-75.4	-168.5	164	0	0	115.2
597	A	30.1	Very low	29.9	Very low	70 Å²	70	124.8 Å²	124.8	58%	0.579	69%	0.694	S	S	*	*	S	Bend	trans	-126.4	97.1	179.3	0	0	0	0	0	113.6
598	S	28.2	Very low	29	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	71%	0.714	S	S	*	*			trans	72.5	107.7	138.6	42.3	0	0	0	0	119.3
599	T	25.7	Very low	28.2	Very low	134 Å²	134	128.1 Å²	128.1	82%	0.822	72%	0.723	S	S	*	*			trans	-39.7	141.2	148.7	39.1	0	0	0	0	113.7	S601	T599-S601 PolarHBondContact O-N 3.46Å
600	P	25	Very low	27.2	Very low	119 Å²	119	126.8 Å²	126.8	77%	0.773	72%	0.724	S	S	*	*			trans	-80.3	113.5	-179.3	31	-32.1	0	0	0	110.9
601	S	23.8	Very low	26.4	Very low	114 Å²	114	128 Å²	128	80%	0.797	73%	0.731	S	S	*	*			trans	-93.6	110.4	166.1	68.4	0	0	0	0	110.2	T599	T599-S601 PolarHBondContact O-N 3.46Å
602	H	21.1	Very low	25.7	Very low	165 Å²	165	125.6 Å²	125.6	76%	0.764	74%	0.736	S	S	*	*			trans	-50.8	129.1	164.2	-72.2	-87.3	0	0	0	111.8
603	H	24.6	Very low	24.7	Very low	183 Å²	183	127.6 Å²	127.6	85%	0.847	75%	0.745	S	S	*	*			trans	-153.8	98.1	140	-90.5	-65.4	0	0	0	109.7
604	T	18.3	Very low	24.1	Very low	110 Å²	110	127.8 Å²	127.8	68%	0.675	75%	0.754	S	S	*	*			trans	-29.6	143.8	134.8	35.1	0	0	0	0	111.4
605	T	19.6	Very low	23.3	Very low	132 Å²	132	124.2 Å²	124.2	81%	0.81	76%	0.755	S	S	*	*			cis	177.7	172	39.7	2.9	0	0	0	0	108.3
606	A	21.9	Very low	23	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	76%	0.762	S	S	*	*			trans	102.6	80.3	151.8	0	0	0	0	0	118.8
607	S	19.5	Very low	22.4	Very low	103 Å²	103	123.8 Å²	123.8	72%	0.72	76%	0.757	S	S	*	*				57.2	132.6	100.6	74.6	0	0	0	0	121.4
608	V	20.6	Very low	22.4	Very low	123 Å²	123	127.8 Å²	127.8	75%	0.745	77%	0.769	S	S	*	*			trans	89.6	90.7	139.4	174.1	0	0	0	0	115.5
609	T	20.5	Very low	22.1	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	77%	0.765	S	S	*	*				96.3	155	79.6	52.4	0	0	0	0	114.3
610	T	21.7	Very low	22	Very low	110 Å²	110	129.5 Å²	129.5	68%	0.675	76%	0.764	S	S	*	*			trans	86.1	101.3	157.7	70.9	0	0	0	0	119.6
611	D	19.7	Very low	22	Very low	144 Å²	144	129.5 Å²	129.5	77%	0.77	77%	0.767	S	S	*	*				79.1	122.4	109.6	-60.3	-14.4	0	0	0	121.7
612	S	21.6	Very low	21.9	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	77%	0.766	S	S	*	*			trans	95.4	110.7	132.6	-61.1	0	0	0	0	120.7
613	I	19.9	Very low	22.1	Very low	167 Å²	167	128.8 Å²	128.8	86%	0.856	77%	0.767	S	S	*	*				57.2	123.5	122.9	-54.9	161.9	0	0	0	117.8
614	G	21.5	Very low	22	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	76%	0.763	S	S	*	*			trans	167.3	97	155.6	0	0	0	0	0	116.1
615	T	19.8	Very low	22.2	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	78%	0.775	S	S	*	*			trans	-33.5	145.6	162.3	-36.8	0	0	0	0	115.5
616	I	27.7	Very low	22.4	Very low	172 Å²	172	124.8 Å²	124.8	88%	0.882	77%	0.765	S	S	*	*				-170.3	138.8	127.9	-88.3	147.8	0	0	0	110.4
617	N	20.2	Very low	22.4	Very low	139 Å²	139	128 Å²	128	74%	0.743	77%	0.77	S	S	*	*			trans	-71	142.8	-178.8	-155.7	8.1	0	0	0	112.6
618	N	28.8	Very low	22.6	Very low	155 Å²	155	130.9 Å²	130.9	83%	0.829	78%	0.778	S	S	*	*			trans	-155	137.9	154.2	-144.1	-1.2	0	0	0	113.6
619	N	22.6	Very low	22.6	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	78%	0.782	S	S	*	*			trans	-75.5	161.8	-177.8	-71.6	-39.1	0	0	0	112.8
620	N	24.5	Very low	22.7	Very low	151 Å²	151	136.8 Å²	136.8	81%	0.807	79%	0.786	S	S	*	*	S	Bend	trans	90.7	123.5	178	-62.1	-19.8	0	0	0	116.2
621	S	24.1	Very low	22.8	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	79%	0.786	S	S	*	*	S	Bend	trans	54.9	76.2	168	58.8	0	0	0	0	116.5
622	S	22.4	Very low	22.8	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	78%	0.784	S	S	*	*	S	Bend	trans	-171.2	111.5	131.8	37.1	0	0	0	0	108.6
623	I	24.3	Very low	23	Very low	153 Å²	153	138.9 Å²	138.9	79%	0.785	79%	0.791	S	S	*	*			trans	42.8	101.4	142.3	-52.2	171.9	0	0	0	114.8	D625	I623-D625 PolarHBondContact O-N 3.42Å; I623-D625 VanDerWaalsContact O-N 3.11Å
624	S	22.2	Very low	23.3	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	79%	0.791	S	S	*	*			trans	-46.2	110	155.9	48.8	0	0	0	0	110.9	G626	S624-G626 PolarHBondContact O-N 2.83Å
625	D	22.7	Very low	23.3	Very low	171 Å²	171	139.9 Å²	139.9	91%	0.914	79%	0.788	S	S	*	*			trans	-66.7	105.9	148.8	-81.7	-35.4	0	0	0	107	I623	I623-D625 PolarHBondContact O-N 3.42Å; I623-D625 VanDerWaalsContact O-N 3.11Å
626	G	23.7	Very low	23.4	Very low	59 Å²	59	142.6 Å²	142.6	61%	0.608	79%	0.792	S	S	*	*			trans	-162.6	99.5	-177.6	0	0	0	0	0	111.1	S624	S624-G626 PolarHBondContact O-N 2.83Å
627	D	23	Very low	23.3	Very low	155 Å²	155	139.9 Å²	139.9	83%	0.829	79%	0.788	S	S	*	*			trans	66.2	89.3	158.6	-61	-27.6	0	0	0	119.3	Q629	D627-Q629 PolarHBondContact O-N 2.89Å
628	N	22.7	Very low	23.5	Very low	163 Å²	163	138.4 Å²	138.4	87%	0.872	79%	0.785	S	S	*	*				2	88.7	118.1	-74.9	-34.5	0	0	0	115.2
629	Q	20.4	Very low	23.3	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	78%	0.778	S	S	*	*			trans	-177.5	143.5	138.7	-102.7	178	43.7	0	0	108.6	D627	D627-Q629 PolarHBondContact O-N 2.89Å
630	K	22.8	Very low	23.4	Very low	187 Å²	187	135.5 Å²	135.5	81%	0.813	78%	0.777	S	S	*	*			trans	97.6	106	163.7	-69.4	-177.4	173.6	-179.7	0	119.1
631	S	23.4	Very low	23.4	Very low	95 Å²	95	135 Å²	135	66%	0.664	77%	0.774	S	S	*	*				75.7	120	114.2	68.3	0	0	0	0	120
632	D	21.6	Very low	23.6	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	77%	0.771	S	S	*	*			trans	49.7	92.5	135.4	-63.7	-28.6	0	0	0	117.9
633	I	25.6	Very low	23.8	Very low	162 Å²	162	139.6 Å²	139.6	83%	0.831	77%	0.774	S	S	*	*			trans	-116.3	54.5	142	-46.3	177.4	0	0	0	107.3
634	L	24.5	Very low	24	Very low	162 Å²	162	139.1 Å²	139.1	85%	0.848	77%	0.772	S	S	*	*			trans	-95.3	62	151.7	-83.2	167.9	0	0	0	107.2	Q636	L634-Q636 PolarHBondContact O-N 3.22Å
635	S	23.3	Very low	24.3	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	76%	0.764	S	S	*	*			trans	-83.7	102.6	160.6	-52	0	0	0	0	106.4	S637	S635-S637 PolarHBondContact O-N 3.34Å
636	Q	22	Very low	24.7	Very low	185 Å²	185	136.8 Å²	136.8	86%	0.864	75%	0.75	S	S	*	*			trans	-44.9	101.9	172.4	-158.9	165.9	21.8	0	0	109.5	L634 T638	L634-Q636 PolarHBondContact O-N 3.22Å; Q636-T638 VanDerWaalsContact C-N 3.32Å; Q636-T638 PolarHBondContact O-N 3.37Å
637	S	24.5	Very low	25.2	Very low	115 Å²	115	138 Å²	138	80%	0.804	75%	0.749	S	S	*	*			trans	-65.2	101.5	166.7	48.1	0	0	0	0	106.1	S635 S639	S635-S637 PolarHBondContact O-N 3.34Å; S637-S639 PolarHBondContact O-N 3.44Å; S637-S639 VanDerWaalsContact O-N 3.13Å
638	T	24.7	Very low	25.5	Very low	109 Å²	109	135.7 Å²	135.7	67%	0.669	74%	0.737	S	S	*	*			trans	-43.5	118.1	171.5	25	0	0	0	0	109	Q636 N640	Q636-T638 VanDerWaalsContact C-N 3.32Å; Q636-T638 PolarHBondContact O-N 3.37Å; T638-N640 PolarHBondContact O-N 2.98Å
639	S	24.3	Very low	26.1	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	73%	0.728	S	S	*	*			trans	-55.9	85.1	155.9	51.6	0	0	0	0	107.7	S637 D641	S637-S639 PolarHBondContact O-N 3.44Å; S637-S639 VanDerWaalsContact O-N 3.13Å; S639-D641 PolarHBondContact O-N 3.45Å
640	N	23.9	Very low	26.6	Very low	125 Å²	125	130.7 Å²	130.7	67%	0.668	72%	0.715	S	S	*	*			trans	-76.3	80.2	156.5	-76.1	-11.3	0	0	0	105.4	T638 E642	T638-N640 PolarHBondContact O-N 2.98Å; N640-E642 PolarHBondContact O-N 2.82Å
641	D	25.7	Very low	27.1	Very low	141 Å²	141	130.9 Å²	130.9	75%	0.754	71%	0.711	S	S	*	*			trans	-61.3	74.9	148.8	-70	-35.2	0	0	0	106.1	S639 L643	S639-D641 PolarHBondContact O-N 3.45Å; D641-L643 PolarHBondContact O-N 3.4Å
642	E	27.1	Very low	27.8	Very low	164 Å²	164	131.3 Å²	131.3	77%	0.766	71%	0.705	S	S	*	*			trans	-63.5	87.4	157.3	-85	-172.6	166.3	0	0	105.1	N640 I644	N640-E642 PolarHBondContact O-N 2.82Å; E642-I644 VanDerWaalsContact C-N 3.31Å; E642-I644 PolarHBondContact O-N 2.85Å
643	L	27	Very low	28.6	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	71%	0.705	S	S	*	*			trans	-38.6	104.7	154.7	-78.7	160.5	0	0	0	106.4	D641 D645	D641-L643 PolarHBondContact O-N 3.4Å; L643-D645 VanDerWaalsContact C-N 3.31Å; L643-D645 PolarHBondContact O-N 3.01Å
644	I	28.9	Very low	29.4	Very low	144 Å²	144	133 Å²	133	74%	0.738	70%	0.7	S	S	*	*			trans	-62.8	100.3	-179.6	-62.9	173.1	0	0	0	105.6	E642 L646	E642-I644 VanDerWaalsContact C-N 3.31Å; E642-I644 PolarHBondContact O-N 2.85Å; I644-L646 HydrophobicContact CG2-CD2 4.13Å; I644-L646 PolarHBondContact O-N 3.46Å
645	D	29.7	Very low	30.1	Very low	114 Å²	114	130.4 Å²	130.4	61%	0.61	69%	0.686	S	S	*	*			trans	-64.7	99.4	172.6	179.5	8.5	0	0	0	108.3	L643 S647	L643-D645 VanDerWaalsContact C-N 3.31Å; L643-D645 PolarHBondContact O-N 3.01Å; D645-S647 PolarHBondContact O-N 2.95Å; D645-S647 VanDerWaalsContact O-N 3.17Å; D645-S647 WeakPolarHBondContact OD1-CB 3.39Å; D645-S647 PolarHBondContact OD1-N 2.97Å; D645-S647 PolarHBondContact OD1-OG 3.09Å; D645-S647 PolarHBondContact OD2-OG 3.29Å
646	L	30.5	Very low	31	Very low	118 Å²	118	133.1 Å²	133.1	62%	0.618	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-71.2	1.1	-179.8	-69	169.6	0	0	0	112.9	I644 N648 W649	I644-L646 HydrophobicContact CG2-CD2 4.13Å; I644-L646 PolarHBondContact O-N 3.46Å; L646-N648 PolarHBondContact O-N 3.36Å; L646-N648 VanDerWaalsContact O-N 3.15Å; L646-W649 HydrophobicContact CB-CZ3 4.3Å; L646-W649 HydrophobicContact CD2-CZ3 4.24Å
647	S	33.1	Very low	31.5	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-66	-13	179.2	68.8	0	0	0	0	114.1	D645	D645-S647 PolarHBondContact O-N 2.95Å; D645-S647 VanDerWaalsContact O-N 3.17Å; D645-S647 WeakPolarHBondContact OD1-CB 3.39Å; D645-S647 PolarHBondContact OD1-N 2.97Å; D645-S647 PolarHBondContact OD1-OG 3.09Å; D645-S647 PolarHBondContact OD2-OG 3.29Å
648	N	30.5	Very low	32	Very low	106 Å²	106	132.4 Å²	132.4	57%	0.567	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-109.9	49.5	-179.6	-83.8	-49.9	0	0	0	114.3	L646 G650 R651	L646-N648 PolarHBondContact O-N 3.36Å; L646-N648 VanDerWaalsContact O-N 3.15Å; N648-G650 PolarHBondContact O-N 3.11Å; N648-R651 PolarHBondContact O-N 3.41Å
649	W	34.3	Very low	32.4	Very low	181 Å²	181	136.5 Å²	136.5	69%	0.686	67%	0.67	S	S	*	*	H	α-helix	trans	-52.7	-22.5	171.7	-137.3	-80.3	0	0	0	113.7	L646 R651 L652	L646-W649 HydrophobicContact CB-CZ3 4.3Å; L646-W649 HydrophobicContact CD2-CZ3 4.24Å; W649-R651 VanDerWaalsContact C-N 3.34Å; W649-R651 PolarHBondContact O-N 3.35Å; W649-L652 PolarHBondContact O-N 2.84Å
650	G	32.3	Very low	32.8	Very low	54 Å²	54	137.4 Å²	137.4	56%	0.557	67%	0.666	S	S	*	*	H	α-helix	trans	-63.7	-29.4	174.7	0	0	0	0	0	114.8	N648	N648-G650 PolarHBondContact O-N 3.11Å
651	R	32.8	Very low	33.2	Very low	192 Å²	192	136.4 Å²	136.4	73%	0.725	66%	0.66	S	S	*	*	H	α-helix	trans	-72.9	-33.1	176.2	-87.3	-175.2	173.8	179.7	-0.5	112.3	N648 W649 K653 K654 L655	N648-R651 PolarHBondContact O-N 3.41Å; W649-R651 VanDerWaalsContact C-N 3.34Å; W649-R651 PolarHBondContact O-N 3.35Å; R651-K653 PolarHBondContact O-N 2.97Å; R651-K654 PolarHBondContact O-N 3.38Å; R651-L655 PolarHBondContact O-N 3.38Å
652	L	37.6	Very low	33.4	Very low	104 Å²	104	132.4 Å²	132.4	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-67.4	-36.7	179.5	-154.4	83.7	0	0	0	111.9	W649 K654 L655 K656	W649-L652 PolarHBondContact O-N 2.84Å; L652-K654 VanDerWaalsContact C-N 3.33Å; L652-K654 PolarHBondContact O-N 2.86Å; L652-L655 PolarHBondContact O-N 3.06Å; L652-K656 PolarHBondContact O-N 2.99Å
653	K	39.2	Very low	33.6	Very low	171 Å²	171	131.1 Å²	131.1	74%	0.743	64%	0.641	S	S	*	*	H	α-helix	trans	-62.7	-39.7	173.2	-126.1	180	-176.1	-179.5	0	111.5	R651 K656 H657	R651-K653 PolarHBondContact O-N 2.97Å; K653-K656 PolarHBondContact O-N 2.8Å; K653-H657 PolarHBondContact O-N 2.95Å; K653-H657 VanDerWaalsContact O-N 3.1Å
654	K	42.2	Very low	33.8	Very low	163 Å²	163	130.4 Å²	130.4	71%	0.709	64%	0.638	S	S	*	*	H	α-helix	trans	-67.6	-34.6	173.8	-76.2	-173.4	177.8	-178.8	0	112.8	R651 L652 H657 K658	R651-K654 PolarHBondContact O-N 3.38Å; L652-K654 VanDerWaalsContact C-N 3.33Å; L652-K654 PolarHBondContact O-N 2.86Å; K654-H657 PolarHBondContact O-N 3.04Å; K654-K658 WeakPolarHBondContact O-CB 3.38Å; K654-K658 PolarHBondContact O-N 2.99Å
655	L	38.3	Very low	33.8	Very low	108 Å²	108	128.1 Å²	128.1	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-67.7	-38.4	174.5	-84.7	160.5	0	0	0	112.5	R651 L652 K658 R659	R651-L655 PolarHBondContact O-N 3.38Å; L652-L655 PolarHBondContact O-N 3.06Å; L655-K658 PolarHBondContact O-N 3.09Å; L655-R659 PolarHBondContact O-N 3.41Å
656	K	41.9	Very low	33.5	Very low	157 Å²	157	130.2 Å²	130.2	68%	0.683	64%	0.642	S	S	*	*	H	α-helix	trans	-64.4	-40.7	171.9	-87.5	-169.2	174.5	-175.2	0	112.2	L652 K653 L660	L652-K656 PolarHBondContact O-N 2.99Å; K653-K656 PolarHBondContact O-N 2.8Å; K656-L660 WeakPolarHBondContact O-CB 3.44Å; K656-L660 PolarHBondContact O-N 2.86Å
657	H	33.6	Very low	33.1	Very low	129 Å²	129	128.8 Å²	128.8	60%	0.597	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-38.2	173.4	-101.1	44.1	0	0	0	112.8	K653 K654 L660 I661	K653-H657 PolarHBondContact O-N 2.95Å; K653-H657 VanDerWaalsContact O-N 3.1Å; K654-H657 PolarHBondContact O-N 3.04Å; H657-L660 PolarHBondContact O-N 3.47Å; H657-I661 WeakPolarHBondContact O-CB 3.46Å; H657-I661 VanDerWaalsContact O-CG1 3.25Å; H657-I661 WeakPolarHBondContact O-CG1 3.44Å; H657-I661 PolarHBondContact O-N 3.37Å
658	K	35.2	Very low	32.6	Very low	157 Å²	157	134.7 Å²	134.7	68%	0.683	65%	0.652	S	S	*	*	H	α-helix	trans	-68.8	-34.3	178.1	-153.1	176.1	-175.6	-175.6	0	112	K654 L655 S662	K654-K658 WeakPolarHBondContact O-CB 3.38Å; K654-K658 PolarHBondContact O-N 2.99Å; L655-K658 PolarHBondContact O-N 3.09Å; K658-S662 WeakPolarHBondContact O-CB 3.48Å; K658-S662 PolarHBondContact O-N 3.19Å; K658-S662 PolarHBondContact O-OG 3.03Å
659	R	32.1	Very low	32.3	Very low	195 Å²	195	135.6 Å²	135.6	74%	0.736	66%	0.662	S	S	*	*	H	α-helix	trans	-70.2	-35.4	171	-92.9	-174.5	175.9	164.9	-0.3	113.3	L655 S662 N663	L655-R659 PolarHBondContact O-N 3.41Å; R659-S662 WeakPolarHBondContact CA-OG 3.33Å; R659-S662 PolarHBondContact O-OG 3.26Å; R659-S662 VanDerWaalsContact O-OG 3.1Å; R659-N663 PolarHBondContact O-N 3.1Å
660	L	32.5	Very low	31.8	Very low	116 Å²	116	132.9 Å²	132.9	61%	0.607	67%	0.665	S	S	*	*	H	α-helix	trans	-68.4	-38.6	173.6	-102.9	146.4	0	0	0	111.8	K656 H657	K656-L660 WeakPolarHBondContact O-CB 3.44Å; K656-L660 PolarHBondContact O-N 2.86Å; H657-L660 PolarHBondContact O-N 3.47Å
661	I	33.5	Very low	31.4	Very low	105 Å²	105	139.2 Å²	139.2	54%	0.538	68%	0.681	S	S	.	*	H	α-helix	trans	-72.9	-37.5	176.3	-64.5	166.3	0	0	0	110.9	H657 N663 L664 T665	H657-I661 WeakPolarHBondContact O-CB 3.46Å; H657-I661 VanDerWaalsContact O-CG1 3.25Å; H657-I661 WeakPolarHBondContact O-CG1 3.44Å; H657-I661 PolarHBondContact O-N 3.37Å; I661-N663 PolarHBondContact O-N 2.87Å; I661-L664 PolarHBondContact O-N 3.5Å; I661-T665 PolarHBondContact O-N 3.08Å; I661-T665 PolarHBondContact O-OG1 3.49Å
662	S	30	Very low	30.9	Very low	57 Å²	57	141.4 Å²	141.4	40%	0.399	69%	0.689	S	S	.	*	H	α-helix	trans	-68.5	-20.1	178.5	69.3	0	0	0	0	114	K658 R659	K658-S662 WeakPolarHBondContact O-CB 3.48Å; K658-S662 PolarHBondContact O-N 3.19Å; K658-S662 PolarHBondContact O-OG 3.03Å; R659-S662 WeakPolarHBondContact CA-OG 3.33Å; R659-S662 PolarHBondContact O-OG 3.26Å; R659-S662 VanDerWaalsContact O-OG 3.1Å
663	N	31.4	Very low	30.1	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-9.2	176	-72.4	4.1	0	0	0	113.3	R659 I661	R659-N663 PolarHBondContact O-N 3.1Å; I661-N663 PolarHBondContact O-N 2.87Å
664	L	31	Very low	29.4	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-7.5	177.6	-125.6	81	0	0	0	114.4	I661	I661-L664 PolarHBondContact O-N 3.5Å
665	T	28	Very low	28.5	Very low	96 Å²	96	141.8 Å²	141.8	59%	0.589	70%	0.698	S	S	*	*	S	Bend	trans	-117.5	18.2	-174	29.5	0	0	0	0	116.2	I661	I661-T665 PolarHBondContact O-N 3.08Å; I661-T665 PolarHBondContact O-OG1 3.49Å
666	N	24.6	Very low	27.9	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	70%	0.703	S	S	*	*			trans	-118.9	62.2	170.4	-74.6	-15	0	0	0	111.7
667	S	20.1	Very low	27.3	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	72%	0.715	S	S	*	*			trans	-107.8	135	149.2	56.5	0	0	0	0	107.5
668	Y	23.3	Very low	26.8	Very low	208 Å²	208	146 Å²	146	82%	0.816	72%	0.723	S	S	*	*	S	Bend	trans	99.9	105	176.8	-66.3	-82.8	0	0	0	117.8
669	T	24	Very low	26.4	Very low	125 Å²	125	148.2 Å²	148.2	77%	0.767	73%	0.733	S	S	*	*			trans	69.2	124.8	145.8	63	0	0	0	0	116.2
670	T	25.2	Very low	26.1	Very low	124 Å²	124	148 Å²	148	76%	0.761	74%	0.74	S	S	*	*			cis	-164	145.8	40.2	-43.4	0	0	0	0	108.5	R672	T670-R672 PolarHBondContact O-N 3.38Å
671	E	22.2	Very low	25.7	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	75%	0.745	S	S	*	*			trans	-43.1	117.8	161.5	-67.4	175.7	132.3	0	0	111.7
672	R	22.6	Very low	25.3	Very low	237 Å²	237	148.2 Å²	148.2	89%	0.894	76%	0.756	S	S	*	*			trans	-137.7	95.4	152.8	-108.4	-174.4	-179.4	178.9	1.1	109.1	T670 P674	T670-R672 PolarHBondContact O-N 3.38Å; R672-P674 VanDerWaalsContact O-CD 3.25Å; R672-P674 WeakPolarHBondContact O-CD 3.34Å
673	N	21.5	Very low	25.2	Very low	130 Å²	130	153.2 Å²	153.2	70%	0.695	77%	0.773	S	S	*	*			trans	-58.3	125.3	155.5	-147.1	-28	0	0	0	107.6	R675	N673-R675 PolarHBondContact OD1-N 3.1Å
674	P	24.8	Very low	24.9	Very low	107 Å²	107	155.3 Å²	155.3	70%	0.695	78%	0.778	S	S	*	*				-131.6	94.2	125.4	33.9	-22.3	0	0	0	109.7	R672 N676	R672-P674 VanDerWaalsContact O-CD 3.25Å; R672-P674 WeakPolarHBondContact O-CD 3.34Å; P674-N676 PolarHBondContact O-N 3.47Å
675	R	22.2	Very low	24.7	Very low	210 Å²	210	155.8 Å²	155.8	79%	0.792	78%	0.779	S	S	*	*				-37.9	129.5	119.8	-82.5	-179.4	169.4	171.8	-2.8	108.7	N673	N673-R675 PolarHBondContact OD1-N 3.1Å
676	N	25.8	Very low	24.6	Very low	126 Å²	126	155.7 Å²	155.7	67%	0.674	78%	0.782	S	S	*	*			trans	99.5	64.4	179.3	-53.9	-21.7	0	0	0	116.3	P674	P674-N676 PolarHBondContact O-N 3.47Å
677	L	29.3	Very low	24.6	Very low	178 Å²	178	153.5 Å²	153.5	93%	0.932	78%	0.779	S	S	*	*				-121.9	70.8	126.6	-86.6	161.3	0	0	0	108.2
678	F	23.4	Very low	24.8	Very low	177 Å²	177	158.6 Å²	158.6	78%	0.776	79%	0.79	S	S	*	*			trans	-58.4	127.8	150.7	-93.2	-92.6	0	0	0	108.4
679	K	26.8	Very low	25.1	Very low	204 Å²	204	154.7 Å²	154.7	89%	0.887	79%	0.788	S	S	*	*				178.5	85.8	124.3	-94.5	174.5	-175.6	-172.7	0	107.8	S681	K679-S681 PolarHBondContact O-N 3.36Å
680	Q	26.1	Very low	25.4	Very low	190 Å²	190	156.8 Å²	156.8	89%	0.888	79%	0.791	S	S	*	*			trans	-63.4	111.5	156.9	-78.2	176.1	-18.4	0	0	106.6	T682	Q680-T682 PolarHBondContact O-N 3.26Å; Q680-T682 VanDerWaalsContact O-N 3.15Å
681	S	24.4	Very low	25.3	Very low	102 Å²	102	159.1 Å²	159.1	71%	0.713	80%	0.799	S	S	*	*			trans	-71.2	106.4	164.9	64.5	0	0	0	0	107.5	K679 Q683	K679-S681 PolarHBondContact O-N 3.36Å; S681-Q683 PolarHBondContact O-N 3.17Å
682	T	24.4	Very low	25.7	Very low	124 Å²	124	153.7 Å²	153.7	76%	0.761	78%	0.782	S	S	*	*			trans	-65.8	77	166.6	-39.1	0	0	0	0	108.9	Q680 Q684	Q680-T682 PolarHBondContact O-N 3.26Å; Q680-T682 VanDerWaalsContact O-N 3.15Å; T682-Q684 PolarHBondContact O-N 3.08Å
683	Q	27.3	Very low	26	Very low	163 Å²	163	152.7 Å²	152.7	76%	0.762	78%	0.784	S	S	*	*			trans	-91.1	91.3	161.9	-92.5	-175.7	-5.2	0	0	108.4	S681 M685	S681-Q683 PolarHBondContact O-N 3.17Å; Q683-M685 PolarHBondContact O-N 2.8Å
684	Q	25.9	Very low	26.4	Very low	179 Å²	179	156 Å²	156	84%	0.836	79%	0.788	S	S	*	*			trans	-54.9	112.3	147.6	-70.3	176.7	-12.5	0	0	107.5	T682	T682-Q684 PolarHBondContact O-N 3.08Å
685	M	25.9	Very low	26.6	Very low	158 Å²	158	155.3 Å²	155.3	78%	0.778	79%	0.792	S	S	*	*			trans	-132.8	99.6	162.4	-88.8	-70.8	-132.4	0	0	108.6	Q683	Q683-M685 PolarHBondContact O-N 2.8Å
686	S	25.9	Very low	26.8	Very low	95 Å²	95	154 Å²	154	66%	0.664	80%	0.797	S	S	*	*			trans	-1.4	124.4	159.2	60.8	0	0	0	0	117.6	K688	S686-K688 PolarHBondContact O-N 2.92Å
687	S	25.3	Very low	27.1	Very low	110 Å²	110	157.7 Å²	157.7	77%	0.769	81%	0.807	S	S	*	*			trans	-46.1	95	154.6	50.8	0	0	0	0	112.5	T689	S687-T689 VanDerWaalsContact C-N 3.28Å; S687-T689 PolarHBondContact O-N 3.05Å
688	K	24.8	Very low	26.9	Very low	195 Å²	195	160.3 Å²	160.3	85%	0.848	80%	0.804	S	S	*	*			trans	-84.9	82.6	147.8	-89.1	-179.5	176.5	175	0	106.3	S686 M690	S686-K688 PolarHBondContact O-N 2.92Å; K688-M690 VanDerWaalsContact C-N 3.26Å; K688-M690 PolarHBondContact O-N 3.47Å
689	T	30.2	Very low	27	Very low	126 Å²	126	160.9 Å²	160.9	77%	0.773	81%	0.809	S	S	*	*			trans	-63.2	99.1	162.7	18.8	0	0	0	0	106.7	S687 N691	S687-T689 VanDerWaalsContact C-N 3.28Å; S687-T689 PolarHBondContact O-N 3.05Å; T689-N691 PolarHBondContact O-N 2.92Å
690	M	28.5	Very low	27	Very low	169 Å²	169	157.6 Å²	157.6	83%	0.833	81%	0.806	S	S	*	*			trans	-41.6	127.9	162	-75.8	-91.6	-132.7	0	0	108	K688 S692	K688-M690 VanDerWaalsContact C-N 3.26Å; K688-M690 PolarHBondContact O-N 3.47Å; M690-S692 PolarHBondContact O-N 3.42Å
691	N	24.9	Very low	27	Very low	173 Å²	173	157.5 Å²	157.5	93%	0.925	80%	0.803	S	S	*	*			trans	-57.6	81.3	165.4	-92.9	-15.7	0	0	0	108.2	T689 K693	T689-N691 PolarHBondContact O-N 2.92Å; N691-K693 PolarHBondContact O-N 3.12Å
692	S	30.5	Very low	27.2	Very low	75 Å²	75	161.2 Å²	161.2	52%	0.524	81%	0.809	S	S	.	*			trans	-76.2	111.3	167.6	59.2	0	0	0	0	105.7	M690 Y694	M690-S692 PolarHBondContact O-N 3.42Å; S692-Y694 PolarHBondContact O-N 3.02Å; S692-Y694 VanDerWaalsContact OG-CD2 3.29Å; S692-Y694 WeakPolarHBondContact OG-CD2 3.18Å
693	K	27.9	Very low	27.3	Very low	216 Å²	216	162.1 Å²	162.1	94%	0.939	81%	0.808	S	S	*	*			trans	-63.2	60.4	158.6	-79.4	178	172.9	175.1	0	108.2	N691	N691-K693 PolarHBondContact O-N 3.12Å
694	Y	29.7	Very low	27.5	Very low	199 Å²	199	161.6 Å²	161.6	78%	0.78	81%	0.81	S	S	*	*			trans	-86.7	125.4	166	-79.1	-60.1	0	0	0	107.7	S692 M696	S692-Y694 PolarHBondContact O-N 3.02Å; S692-Y694 VanDerWaalsContact OG-CD2 3.29Å; S692-Y694 WeakPolarHBondContact OG-CD2 3.18Å; Y694-M696 PolarHBondContact O-N 3.01Å; Y694-M696 VanDerWaalsContact O-N 3.14Å
695	A	28.7	Very low	28	Very low	93 Å²	93	161.5 Å²	161.5	77%	0.769	82%	0.815	S	S	*	*			trans	-38.9	118.4	177.9	0	0	0	0	0	110.5	K697	A695-K697 PolarHBondContact O-N 3.41Å
696	M	26.5	Very low	28.2	Very low	183 Å²	183	156.4 Å²	156.4	90%	0.901	80%	0.803	S	S	*	*			trans	-47.3	109.7	170.4	-155.5	159.9	-179.9	0	0	107.2	Y694 R698	Y694-M696 PolarHBondContact O-N 3.01Å; Y694-M696 VanDerWaalsContact O-N 3.14Å; M696-R698 PolarHBondContact O-N 2.87Å
697	K	33.5	Very low	28.6	Very low	202 Å²	202	156.2 Å²	156.2	88%	0.878	80%	0.802	S	S	*	*			trans	-52.5	109.1	173.2	-82.1	-178.7	175.1	179.8	0	106.1	A695 Q699	A695-K697 PolarHBondContact O-N 3.41Å; K697-Q699 PolarHBondContact O-N 3.17Å; K697-Q699 VanDerWaalsContact O-N 3.16Å
698	R	25.3	Very low	28.9	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.879	79%	0.793	S	S	*	*			trans	-56.7	125	172.7	-77	-175.1	180	-176.4	0.4	106.5	M696 V700	M696-R698 PolarHBondContact O-N 2.87Å; R698-V700 PolarHBondContact O-N 2.89Å
699	Q	23.6	Very low	29.3	Very low	190 Å²	190	152.9 Å²	152.9	89%	0.888	79%	0.79	S	S	*	*			trans	-55.6	112.1	168.8	-72.8	180	-10.5	0	0	106.9	K697 K701	K697-Q699 PolarHBondContact O-N 3.17Å; K697-Q699 VanDerWaalsContact O-N 3.16Å; Q699-K701 PolarHBondContact O-N 3.11Å
700	V	26.9	Very low	29.4	Very low	135 Å²	135	150.8 Å²	150.8	82%	0.818	79%	0.794	S	S	*	*			trans	-67.3	104	169.2	177.7	0	0	0	0	104.5	R698 E702	R698-V700 PolarHBondContact O-N 2.89Å; V700-E702 PolarHBondContact O-N 3.31Å
701	K	27.4	Very low	29.5	Very low	188 Å²	188	149 Å²	149	82%	0.817	78%	0.784	S	S	*	*			trans	-65.2	109.3	172.8	-151.6	177	-174.7	-174.9	0	105.5	Q699 I703	Q699-K701 PolarHBondContact O-N 3.11Å; K701-I703 PolarHBondContact O-N 3.45Å
702	E	27.2	Very low	29.9	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	78%	0.78	S	S	*	*			trans	-50.8	123.2	171.9	-78.7	178.5	153.8	0	0	107.9	V700 D704	V700-E702 PolarHBondContact O-N 3.31Å; E702-D704 PolarHBondContact O-N 3.24Å
703	I	28.3	Very low	30.5	Very low	144 Å²	144	153 Å²	153	74%	0.738	78%	0.783	S	S	*	*			trans	-82.5	100.2	177.6	-55.5	175	0	0	0	105	K701	K701-I703 PolarHBondContact O-N 3.45Å
704	D	31.4	Very low	31	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	77%	0.771	S	S	*	*			trans	-46.9	142.4	163.1	-92.6	-37.7	0	0	0	109.1	E702 G706	E702-D704 PolarHBondContact O-N 3.24Å; D704-G706 PolarHBondContact O-N 2.79Å
705	N	35.9	Very low	31.9	Very low	178 Å²	178	144 Å²	144	95%	0.952	76%	0.761	S	S	*	*	S	Bend	trans	-54.1	53.6	-172.7	-70.5	-36.3	0	0	0	116.2
706	G	29.7	Very low	32.6	Very low	51 Å²	51	148.9 Å²	148.9	53%	0.526	77%	0.765	S	S	.	*			trans	-96.7	120.8	175.3	0	0	0	0	0	109.7	D704 C708	D704-G706 PolarHBondContact O-N 2.79Å; G706-C708 PolarHBondContact O-N 3.13Å
707	S	34.7	Very low	34.1	Very low	91 Å²	91	142.6 Å²	142.6	64%	0.636	74%	0.737	S	S	*	*			trans	-39.6	127.3	176.1	-175.5	0	0	0	0	112.9	D709	S707-D709 PolarHBondContact O-N 3.3Å; S707-D709 VanDerWaalsContact O-N 3.15Å; S707-D709 PolarHBondContact OG-N 3.19Å; S707-D709 PolarHBondContact OG-OD2 3.41Å; S707-D709 VanDerWaalsContact OG-OD2 3.12Å
708	C	32.1	Very low	35.2	Very low	87 Å²	87	143.4 Å²	143.4	59%	0.588	74%	0.741	S	S	*	*			trans	-80.2	25.6	174.6	-58.7	0	0	0	0	113.1	G706 G710	G706-C708 PolarHBondContact O-N 3.13Å; C708-G710 PolarHBondContact O-N 3.13Å
709	D	31.9	Very low	36.8	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	115.1	174.3	-76.9	-32.8	0	0	0	109.9	S707	S707-D709 PolarHBondContact O-N 3.3Å; S707-D709 VanDerWaalsContact O-N 3.15Å; S707-D709 PolarHBondContact OG-N 3.19Å; S707-D709 PolarHBondContact OG-OD2 3.41Å; S707-D709 VanDerWaalsContact OG-OD2 3.12Å
710	G	33.6	Very low	38.4	Very low	83 Å²	83	130 Å²	130	86%	0.856	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.8	9.6	167.2	0	0	0	0	0	117.3	C708	C708-G710 PolarHBondContact O-N 3.13Å
711	Q	30.6	Very low	40	Very low	130 Å²	130	132.4 Å²	132.4	61%	0.607	69%	0.688	S	S	*	*			trans	-87.7	113.8	171.1	-70.5	-171.2	1.2	0	0	111.4	Y713	Q711-Y713 HydrophobicContact CB-CE2 4.06Å; Q711-Y713 WeakPolarHBondContact O-CD2 3.48Å; Q711-Y713 PolarHBondContact O-N 3.3Å; Q711-Y713 PolarHBondContact OE1-OH 3.03Å
712	E	32.9	Very low	41.8	Very low	181 Å²	181	125.2 Å²	125.2	85%	0.846	66%	0.658	S	S	*	*			trans	-78.9	114.3	172.7	-166	178.2	-166.8	0	0	109.9
713	Y	42.3	Very low	43.6	Very low	153 Å²	153	123.8 Å²	123.8	60%	0.6	65%	0.646	S	S	*	*			trans	-94.4	111.4	178	-64.5	-80	0	0	0	110.8	Q711 I715	Q711-Y713 HydrophobicContact CB-CE2 4.06Å; Q711-Y713 WeakPolarHBondContact O-CD2 3.48Å; Q711-Y713 PolarHBondContact O-N 3.3Å; Q711-Y713 PolarHBondContact OE1-OH 3.03Å; Y713-I715 PolarHBondContact O-N 3.41Å
714	V	38.5	Very low	45.2	Very low	112 Å²	112	124.7 Å²	124.7	68%	0.679	64%	0.64	S	S	*	*			trans	-87.4	102.2	173.7	-177.5	0	0	0	0	109.9	K716	V714-K716 HydrophobicContact CG1-CG 4.28Å
715	I	48.8	Very low	47.1	Very low	113 Å²	113	120.2 Å²	120.2	58%	0.579	62%	0.616	S	S	*	*			trans	-86.9	110.2	173.7	-56.7	173.6	0	0	0	109.1	Y713 L726	Y713-I715 PolarHBondContact O-N 3.41Å; I715-L726 HydrophobicContact CB-CD1 4.12Å; I715-L726 HydrophobicContact CD1-CD1 4.25Å; I715-L726 HydrophobicContact CD1-CD2 4.05Å; I715-L726 HydrophobicContact CG2-CD1 3.74Å
716	K	43	Very low	48.9	Very low	196 Å²	196	113.9 Å²	113.9	85%	0.852	58%	0.582	S	S	*	*			trans	-91.8	119.8	171.4	-65.3	-175.2	-178.9	-179.1	0	109.7	V714	V714-K716 HydrophobicContact CG1-CG 4.28Å
717	T	58.2	Low	50.7	Low	51 Å²	51	113.7 Å²	113.7	31%	0.313	57%	0.572	S	S	.	*			trans	-130.5	143.5	175	-178.8	0	0	0	0	111	S719 I722	T717-S719 PolarHBondContact OG1-N 3.29Å; T717-S719 VanDerWaalsContact OG1-N 3.13Å; T717-I722 HydrophobicContact CG2-CB 4.06Å; T717-I722 HydrophobicContact CG2-CG2 3.9Å
718	K	56.6	Low	52.3	Low	218 Å²	218	114 Å²	114	95%	0.948	57%	0.566	S	S	*	*	S	Bend	trans	-87	-15	170.7	-67.7	-175	178.9	-178	0	112.3	L720	K718-L720 PolarHBondContact O-N 3.27Å
719	S	60	Low	53.9	Low	23 Å²	23	112.3 Å²	112.3	16%	0.161	55%	0.551	C	S	.	*			trans	-81.7	111.3	-176.3	-177.9	0	0	0	0	109.9	E186 T717 R721 I722 Y723	E186-S719 PolarHBondContact OE1-OG 3.43Å; T717-S719 PolarHBondContact OG1-N 3.29Å; T717-S719 VanDerWaalsContact OG1-N 3.13Å; S719-R721 PolarHBondContact O-N 2.95Å; S719-R721 VanDerWaalsContact O-N 3.16Å; S719-I722 PolarHBondContact O-N 3.12Å; S719-I722 VanDerWaalsContact O-N 3.09Å; S719-Y723 PolarHBondContact O-N 3.13Å
720	L	57.1	Low	55.7	Low	119 Å²	119	110.4 Å²	110.4	62%	0.623	54%	0.541	S	S	*	.	H	α-helix	trans	-55.9	-32.4	177.4	-165.6	78.7	0	0	0	111.4	K718 R724	K718-L720 PolarHBondContact O-N 3.27Å; L720-R724 WeakPolarHBondContact O-CG 3.49Å; L720-R724 PolarHBondContact O-N 2.94Å
721	R	60.3	Low	57	Low	186 Å²	186	114.4 Å²	114.4	70%	0.702	53%	0.53	S	S	*	.	H	α-helix	trans	-67.2	-46.9	177	-172	179	179.8	-168.6	-2.2	111.7	S719 Y723 R724 I725	S719-R721 PolarHBondContact O-N 2.95Å; S719-R721 VanDerWaalsContact O-N 3.16Å; R721-Y723 VanDerWaalsContact C-N 3.33Å; R721-R724 PolarHBondContact O-N 3.02Å; R721-I725 HydrophobicContact CG-CD1 4.28Å; R721-I725 WeakPolarHBondContact O-CG1 3.41Å; R721-I725 PolarHBondContact O-N 3.38Å; R721-I725 VanDerWaalsContact O-N 3.07Å
722	I	65.5	Low	58.4	Low	37 Å²	37	111.3 Å²	111.3	19%	0.19	52%	0.516	C	S	.	.	H	α-helix	trans	-64.3	-41.5	177.4	-61.6	177.8	0	0	0	110	I182 T717 S719 R724 I725 L726	I182-I722 HydrophobicContact CG2-CD1 4.08Å; I182-I722 HydrophobicContact CG2-CG1 4.09Å; T717-I722 HydrophobicContact CG2-CB 4.06Å; T717-I722 HydrophobicContact CG2-CG2 3.9Å; S719-I722 PolarHBondContact O-N 3.12Å; S719-I722 VanDerWaalsContact O-N 3.09Å; I722-R724 VanDerWaalsContact C-N 3.35Å; I722-R724 PolarHBondContact O-N 3.15Å; I722-I725 PolarHBondContact O-N 3.49Å; I722-L726 HydrophobicContact CG2-CD1 3.79Å; I722-L726 HydrophobicContact CG2-CG 4.16Å; I722-L726 WeakPolarHBondContact O-CB 3.36Å; I722-L726 WeakPolarHBondContact O-CG 3.28Å; I722-L726 PolarHBondContact O-N 3.31Å
723	Y	63.8	Low	59.7	Low	148 Å²	148	107.4 Å²	107.4	58%	0.58	50%	0.5	S	S	*	.	H	α-helix	trans	-59.3	-43	175.4	-177	-96.4	0	0	0	112.5	S719 R721 L726 S727	S719-Y723 PolarHBondContact O-N 3.13Å; R721-Y723 VanDerWaalsContact C-N 3.33Å; Y723-L726 PolarHBondContact O-N 2.92Å; Y723-S727 WeakPolarHBondContact CE1-OG 3.49Å; Y723-S727 VanDerWaalsContact O-CB 3.28Å; Y723-S727 WeakPolarHBondContact O-CB 3.37Å; Y723-S727 PolarHBondContact O-N 3.48Å; Y723-S727 PolarHBondContact O-OG 3.19Å
724	R	62.4	Low	60.6	Low	164 Å²	164	103.7 Å²	103.7	62%	0.619	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-44.3	175.3	-76.6	178.7	-177.4	-175	1.1	112.1	L720 R721 I722 S727 L728	L720-R724 WeakPolarHBondContact O-CG 3.49Å; L720-R724 PolarHBondContact O-N 2.94Å; R721-R724 PolarHBondContact O-N 3.02Å; I722-R724 VanDerWaalsContact C-N 3.35Å; I722-R724 PolarHBondContact O-N 3.15Å; R724-S727 PolarHBondContact O-N 3.45Å; R724-L728 WeakPolarHBondContact O-CG 3.45Å; R724-L728 PolarHBondContact O-N 3.15Å
725	I	71.8	Confident	61.4	Low	57 Å²	57	106.2 Å²	106.2	29%	0.292	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-47.8	179.1	-67.1	166.9	0	0	0	110.5	I182 R721 I722 S727 L728 L729	I182-I725 HydrophobicContact CD1-CD1 4.42Å; R721-I725 HydrophobicContact CG-CD1 4.28Å; R721-I725 WeakPolarHBondContact O-CG1 3.41Å; R721-I725 PolarHBondContact O-N 3.38Å; R721-I725 VanDerWaalsContact O-N 3.07Å; I722-I725 PolarHBondContact O-N 3.49Å; I725-S727 VanDerWaalsContact C-N 3.31Å; I725-S727 PolarHBondContact O-N 3.49Å; I725-L728 PolarHBondContact O-N 2.61Å; I725-L729 HydrophobicContact CG2-CD1 3.85Å; I725-L729 WeakPolarHBondContact O-CB 3.27Å; I725-L729 PolarHBondContact O-N 2.66Å
726	L	73.4	Confident	61.4	Low	44 Å²	44	107.5 Å²	107.5	23%	0.23	50%	0.497	C	S	.	.	H	α-helix	trans	-62.6	-37.7	177.5	-70.9	174.1	0	0	0	112.1	I715 I722 Y723 L729 N730	I715-L726 HydrophobicContact CB-CD1 4.12Å; I715-L726 HydrophobicContact CD1-CD1 4.25Å; I715-L726 HydrophobicContact CD1-CD2 4.05Å; I715-L726 HydrophobicContact CG2-CD1 3.74Å; I722-L726 HydrophobicContact CG2-CD1 3.79Å; I722-L726 HydrophobicContact CG2-CG 4.16Å; I722-L726 WeakPolarHBondContact O-CB 3.36Å; I722-L726 WeakPolarHBondContact O-CG 3.28Å; I722-L726 PolarHBondContact O-N 3.31Å; Y723-L726 PolarHBondContact O-N 2.92Å; L726-L729 PolarHBondContact O-N 3.22Å; L726-N730 WeakPolarHBondContact O-CB 3.35Å; L726-N730 PolarHBondContact O-N 3.38Å
727	S	68	Low	61.5	Low	47 Å²	47	107.3 Å²	107.3	33%	0.329	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-41.8	176.2	-60.8	0	0	0	0	112.1	Y723 R724 I725 L729 N730 R731	Y723-S727 WeakPolarHBondContact CE1-OG 3.49Å; Y723-S727 VanDerWaalsContact O-CB 3.28Å; Y723-S727 WeakPolarHBondContact O-CB 3.37Å; Y723-S727 PolarHBondContact O-N 3.48Å; Y723-S727 PolarHBondContact O-OG 3.19Å; R724-S727 PolarHBondContact O-N 3.45Å; I725-S727 VanDerWaalsContact C-N 3.31Å; I725-S727 PolarHBondContact O-N 3.49Å; S727-L729 VanDerWaalsContact C-N 3.35Å; S727-N730 PolarHBondContact O-N 2.98Å; S727-R731 WeakPolarHBondContact O-CB 3.36Å; S727-R731 PolarHBondContact O-N 3.06Å
728	L	68.6	Low	61.7	Low	97 Å²	97	110.2 Å²	110.2	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-41.3	174.2	-73.6	170.3	0	0	0	111.6	R724 I725 R731 E732	R724-L728 WeakPolarHBondContact O-CG 3.45Å; R724-L728 PolarHBondContact O-N 3.15Å; I725-L728 PolarHBondContact O-N 2.61Å; L728-R731 PolarHBondContact O-N 3.21Å; L728-E732 PolarHBondContact O-N 2.75Å
729	L	65.5	Low	62	Low	52 Å²	52	104.5 Å²	104.5	27%	0.272	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-48	174.9	-93.4	151.7	0	0	0	112	F175 I725 L726 S727 R731 E732 L733	F175-L729 HydrophobicContact CD2-CD2 4.49Å; F175-L729 HydrophobicContact CE2-CD1 3.71Å; F175-L729 HydrophobicContact CE2-CD2 3.76Å; F175-L729 HydrophobicContact CE2-CG 4.41Å; F175-L729 HydrophobicContact CZ-CD1 4.23Å; F175-L729 HydrophobicContact CZ-CD2 4.37Å; I725-L729 HydrophobicContact CG2-CD1 3.85Å; I725-L729 WeakPolarHBondContact O-CB 3.27Å; I725-L729 PolarHBondContact O-N 2.66Å; L726-L729 PolarHBondContact O-N 3.22Å; S727-L729 VanDerWaalsContact C-N 3.35Å; L729-R731 VanDerWaalsContact C-N 3.27Å; L729-R731 PolarHBondContact O-N 3.14Å; L729-E732 PolarHBondContact O-N 3.16Å; L729-E732 VanDerWaalsContact O-N 3.17Å; L729-L733 HydrophobicContact CD2-CD1 4.48Å; L729-L733 WeakPolarHBondContact O-CB 3.39Å; L729-L733 PolarHBondContact O-N 3.28Å
730	N	68.1	Low	62.1	Low	108 Å²	108	109 Å²	109	58%	0.578	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-41.8	178.4	-161.2	28.1	0	0	0	110.3	L726 S727 E732 L733 S734	L726-N730 WeakPolarHBondContact O-CB 3.35Å; L726-N730 PolarHBondContact O-N 3.38Å; S727-N730 PolarHBondContact O-N 2.98Å; N730-E732 PolarHBondContact O-N 3.02Å; N730-L733 PolarHBondContact O-N 2.89Å; N730-S734 WeakPolarHBondContact O-CB 3.25Å; N730-S734 PolarHBondContact O-N 2.89Å; N730-S734 PolarHBondContact O-OG 2.93Å
731	R	62.7	Low	62.4	Low	166 Å²	166	108.4 Å²	108.4	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-60.4	-43.3	174.6	-169.9	-178.4	72.3	164.6	3.3	112.7	S727 L728 L729 R735	S727-R731 WeakPolarHBondContact O-CB 3.36Å; S727-R731 PolarHBondContact O-N 3.06Å; L728-R731 PolarHBondContact O-N 3.21Å; L729-R731 VanDerWaalsContact C-N 3.27Å; L729-R731 PolarHBondContact O-N 3.14Å; R731-R735 PolarHBondContact O-N 2.92Å
732	E	58.5	Low	62.5	Low	66 Å²	66	103.6 Å²	103.6	31%	0.308	49%	0.491	S	S	.	.	H	α-helix	trans	-73.8	-38.5	-178.9	-157.5	67.7	-173.9	0	0	111.8	L728 L729 N730 R735 H736	L728-E732 PolarHBondContact O-N 2.75Å; L729-E732 PolarHBondContact O-N 3.16Å; L729-E732 VanDerWaalsContact O-N 3.17Å; N730-E732 PolarHBondContact O-N 3.02Å; E732-R735 VanDerWaalsContact CD-NH1 3.31Å; E732-R735 WeakPolarHBondContact O-CB 3.29Å; E732-R735 PolarHBondContact O-N 3.25Å; E732-R735 VanDerWaalsContact O-N 3.14Å; E732-R735 IonicContact OE1-CZ 3Å; E732-R735 IonicContact OE1-NH1 2.69Å; E732-R735 PolarHBondContact OE1-NH1 2.86Å; E732-R735 IonicContact OE1-NH2 2.7Å; E732-R735 PolarHBondContact OE1-NH2 3.26Å; E732-R735 IonicContact OE2-CZ 3.8Å; E732-R735 IonicContact OE2-NH1 2.62Å; E732-R735 PolarHBondContact OE2-NH1 3.15Å; E732-R735 VanDerWaalsContact OE2-NH1 3.09Å; E732-H736 PolarHBondContact O-CD2 3.11Å; E732-H736 PolarHBondContact O-N 3.01Å
733	L	61.4	Low	62.3	Low	99 Å²	99	108 Å²	108	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-45.1	172.4	-87.2	151.6	0	0	0	111.5	L729 N730 R735 H736 L737	L729-L733 HydrophobicContact CD2-CD1 4.48Å; L729-L733 WeakPolarHBondContact O-CB 3.39Å; L729-L733 PolarHBondContact O-N 3.28Å; N730-L733 PolarHBondContact O-N 2.89Å; L733-R735 PolarHBondContact O-N 3.43Å; L733-H736 PolarHBondContact O-N 3.3Å; L733-L737 PolarHBondContact O-N 3.38Å
734	S	60.6	Low	62.2	Low	75 Å²	75	105.1 Å²	105.1	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-18.5	173.6	-63.1	0	0	0	0	114	N730	N730-S734 WeakPolarHBondContact O-CB 3.25Å; N730-S734 PolarHBondContact O-N 2.89Å; N730-S734 PolarHBondContact O-OG 2.93Å
735	R	55.5	Low	62.2	Low	164 Å²	164	100.6 Å²	100.6	62%	0.619	50%	0.497	S	S	*	.	H	α-helix	trans	-84.5	-20.7	172.9	-154.7	-175	80.2	-142.1	-8.1	112.5	R731 E732 L733	R731-R735 PolarHBondContact O-N 2.92Å; E732-R735 VanDerWaalsContact CD-NH1 3.31Å; E732-R735 WeakPolarHBondContact O-CB 3.29Å; E732-R735 PolarHBondContact O-N 3.25Å; E732-R735 VanDerWaalsContact O-N 3.14Å; E732-R735 IonicContact OE1-CZ 3Å; E732-R735 IonicContact OE1-NH1 2.69Å; E732-R735 PolarHBondContact OE1-NH1 2.86Å; E732-R735 IonicContact OE1-NH2 2.7Å; E732-R735 PolarHBondContact OE1-NH2 3.26Å; E732-R735 IonicContact OE2-CZ 3.8Å; E732-R735 IonicContact OE2-NH1 2.62Å; E732-R735 PolarHBondContact OE2-NH1 3.15Å; E732-R735 VanDerWaalsContact OE2-NH1 3.09Å; L733-R735 PolarHBondContact O-N 3.43Å
736	H	48	Very low	61.4	Low	140 Å²	140	104.3 Å²	104.3	65%	0.648	51%	0.514	S	S	*	.	H	α-helix	trans	-98.7	-26.4	-176.7	-79.4	-57.4	0	0	0	113.6	E732 L733	E732-H736 PolarHBondContact O-CD2 3.11Å; E732-H736 PolarHBondContact O-N 3.01Å; L733-H736 PolarHBondContact O-N 3.3Å
737	L	46	Very low	60.3	Low	193 Å²	193	109.7 Å²	109.7	100%	1.01	54%	0.54	S	S	*	.			trans	-76.5	0	161.3	-67.5	169.2	0	0	0	109.2	L733	L733-L737 PolarHBondContact O-N 3.38Å

Retrieved 737 of 737 residues in 148.1 ms (Link to these results)

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