A0A3Q0KFV5_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession A0A3Q0KFV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	26.5	Very low	224 Å²	224	159.3 Å²	159.3	100%	1.103	81%	0.809	S	S	*	*				0	101	0	-67.1	169	101.7	0	0	107.8
2	N	25.9	Very low	26.4	Very low	161 Å²	161	155.8 Å²	155.8	86%	0.861	80%	0.802	S	S	*	*			cis	-23.7	127.5	-10.1	-76.4	-30.2	0	0	0	112.9	L4	N2-L4 PolarHBondContact O-N 3.07Å
3	I	34.4	Very low	26.3	Very low	149 Å²	149	156.8 Å²	156.8	76%	0.764	80%	0.801	S	S	*	*	S	Bend	trans	-76.4	80.2	-168.2	-52.1	173.5	0	0	0	108.5
4	L	24	Very low	25.9	Very low	143 Å²	143	153.7 Å²	153.7	75%	0.749	80%	0.8	S	S	*	*			trans	-127.5	89.2	165.9	-138.1	74	0	0	0	105.7	N2 L6	N2-L4 PolarHBondContact O-N 3.07Å; L4-L6 PolarHBondContact O-N 2.94Å
5	H	25.5	Very low	25.6	Very low	168 Å²	168	157.7 Å²	157.7	78%	0.778	80%	0.803	S	S	*	*			trans	-54.7	99.4	154.9	-83.1	-68.6	0	0	0	105.8	L7	H5-L7 PolarHBondContact O-N 3.1Å
6	L	24.5	Very low	25.3	Very low	147 Å²	147	153.1 Å²	153.1	77%	0.77	80%	0.795	S	S	*	*			trans	-61.4	87.8	155.1	-87	141.3	0	0	0	105.2	L4 F8	L4-L6 PolarHBondContact O-N 2.94Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 WeakPolarHBondContact O-CD2 3.45Å; L6-F8 PolarHBondContact O-N 3.21Å
7	L	25.8	Very low	25	Very low	149 Å²	149	149.9 Å²	149.9	78%	0.78	78%	0.784	S	S	*	*			trans	-55.1	106.2	162.6	-88.4	154.7	0	0	0	105.4	H5 I9	H5-L7 PolarHBondContact O-N 3.1Å; L7-I9 PolarHBondContact O-N 2.93Å
8	F	24.5	Very low	24.9	Very low	195 Å²	195	149.9 Å²	149.9	86%	0.855	78%	0.784	S	S	*	*			trans	-56.8	88	164.7	-77.8	-94.8	0	0	0	107.8	L6 Q10	L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 WeakPolarHBondContact O-CD2 3.45Å; L6-F8 PolarHBondContact O-N 3.21Å; F8-Q10 VanDerWaalsContact C-N 3.29Å; F8-Q10 PolarHBondContact O-N 3.18Å; F8-Q10 VanDerWaalsContact O-N 3.16Å
9	I	27.1	Very low	24.8	Very low	147 Å²	147	149.6 Å²	149.6	75%	0.754	78%	0.778	S	S	*	*			trans	-79.6	94	160.1	-58.8	179.2	0	0	0	104.8	L7 S11	L7-I9 PolarHBondContact O-N 2.93Å; I9-S11 PolarHBondContact O-N 2.91Å
10	Q	24.5	Very low	24.8	Very low	171 Å²	171	145.5 Å²	145.5	80%	0.799	77%	0.774	S	S	*	*			trans	-59.8	90.2	157.9	-75.1	178.3	-42.9	0	0	107.6	F8	F8-Q10 VanDerWaalsContact C-N 3.29Å; F8-Q10 PolarHBondContact O-N 3.18Å; F8-Q10 VanDerWaalsContact O-N 3.16Å
11	S	29.1	Very low	24.8	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	78%	0.775	S	S	*	*			trans	-106.4	72.6	153.6	73.5	0	0	0	0	107.3	I9 E13	I9-S11 PolarHBondContact O-N 2.91Å; S11-E13 VanDerWaalsContact C-N 3.34Å; S11-E13 PolarHBondContact O-N 3.34Å; S11-E13 VanDerWaalsContact O-N 3.13Å
12	T	25.4	Very low	24.7	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	76%	0.76	S	S	*	*			trans	-73.4	93.9	164.5	48.5	0	0	0	0	107.2
13	E	24.2	Very low	24.8	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	75%	0.753	S	S	*	*			trans	169.7	79.2	146.8	-95.2	172.8	-152.1	0	0	108.8	S11	S11-E13 VanDerWaalsContact C-N 3.34Å; S11-E13 PolarHBondContact O-N 3.34Å; S11-E13 VanDerWaalsContact O-N 3.13Å
14	S	21.4	Very low	24.3	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	75%	0.751	S	S	*	*			trans	-156.9	85.3	159.2	-67.4	0	0	0	0	107.2	A16	S14-A16 PolarHBondContact O-N 3.16Å; S14-A16 VanDerWaalsContact O-N 3.15Å
15	Y	21.2	Very low	24.3	Very low	214 Å²	214	145.1 Å²	145.1	84%	0.839	76%	0.758	S	S	*	*			trans	-69.5	103.2	170.4	36.2	-87.6	0	0	0	108
16	A	20.4	Very low	24.1	Very low	83 Å²	83	146 Å²	146	69%	0.686	76%	0.759	S	S	*	*			trans	-100.8	96.8	163.8	0	0	0	0	0	106.8	S14 L18	S14-A16 PolarHBondContact O-N 3.16Å; S14-A16 VanDerWaalsContact O-N 3.15Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.26Å
17	V	20.2	Very low	24.1	Very low	100 Å²	100	144.6 Å²	144.6	61%	0.606	76%	0.757	S	S	*	*			trans	-76.7	97.3	170.7	-171.8	0	0	0	0	106.9	N107	V17-N107 WeakPolarHBondContact CG1-ND2 3.45Å; V17-N107 PolarHBondContact O-ND2 2.74Å
18	L	23.2	Very low	23.9	Very low	149 Å²	149	148 Å²	148	78%	0.78	76%	0.761	S	S	*	*			trans	-81.3	131.1	155.9	-76.6	146.6	0	0	0	107.2	A16	A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.26Å
19	E	23.5	Very low	23.9	Very low	145 Å²	145	142.2 Å²	142.2	68%	0.678	74%	0.741	S	S	*	*				-164	110.5	128.4	-112.5	-175	178.2	0	0	111.5
20	G	23.8	Very low	23.8	Very low	67 Å²	67	145.2 Å²	145.2	69%	0.691	75%	0.749	S	S	*	*			trans	-125	90.4	164.9	0	0	0	0	0	109
21	K	25.4	Very low	23.8	Very low	183 Å²	183	148.1 Å²	148.1	80%	0.796	75%	0.753	S	S	*	*			trans	-133.5	119.6	161.2	-74.4	-179.6	176.2	174.7	0	105
22	Q	26.1	Very low	23.6	Very low	168 Å²	168	152.1 Å²	152.1	79%	0.785	76%	0.76	S	S	*	*			cis	117.8	95	47.1	-167	171.5	12.5	0	0	109.5
23	I	26.6	Very low	23.6	Very low	141 Å²	141	150.1 Å²	150.1	72%	0.723	75%	0.749	S	S	*	*			trans	63	157.2	145.2	-12.6	147.5	0	0	0	118.9
24	V	24.5	Very low	23.7	Very low	119 Å²	119	148.9 Å²	148.9	72%	0.721	75%	0.746	S	S	*	*			cis	-158.6	146.8	10.1	-162.6	0	0	0	0	108.1
25	K	23.7	Very low	23.8	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	74%	0.74	S	S	*	*			trans	-126.8	145.4	150.8	-110.7	-176.6	-177.7	179	0	111.1
26	K	21.8	Very low	24	Very low	187 Å²	187	143.4 Å²	143.4	81%	0.813	73%	0.726	S	S	*	*			trans	-70.7	125.8	-165.9	-73.1	176.4	177.5	175.4	0	111.7
27	V	24.1	Very low	24.1	Very low	117 Å²	117	144.7 Å²	144.7	71%	0.709	73%	0.726	S	S	*	*			trans	-80	119.5	166	-176.9	0	0	0	0	107.8	T29	V27-T29 HydrophobicContact CG1-CG2 3.67Å; V27-T29 PolarHBondContact O-N 3.3Å
28	Y	21.6	Very low	24.3	Very low	222 Å²	222	144.4 Å²	144.4	87%	0.871	73%	0.734	S	S	*	*			trans	-75.6	109.2	165.6	-67.6	-86.2	0	0	0	108.1
29	T	25.1	Very low	24.3	Very low	72 Å²	72	141.4 Å²	141.4	44%	0.442	73%	0.73	S	S	.	*			trans	-128.4	114.6	165.2	50.5	0	0	0	0	109.1	V27 R31 P33	V27-T29 HydrophobicContact CG1-CG2 3.67Å; V27-T29 PolarHBondContact O-N 3.3Å; T29-R31 PolarHBondContact O-N 3.17Å; T29-P33 HydrophobicContact CG2-CB 4.18Å; T29-P33 HydrophobicContact CG2-CG 3.58Å; T29-P33 VanDerWaalsContact OG1-CD 3.3Å; T29-P33 WeakPolarHBondContact OG1-CD 3.48Å
30	K	23.9	Very low	24.4	Very low	210 Å²	210	138.7 Å²	138.7	91%	0.913	73%	0.733	S	S	*	*	S	Bend	trans	-76.8	108.1	152	-85.4	-174.3	176.1	177.1	0	106.2
31	R	25.3	Very low	24.3	Very low	233 Å²	233	139.1 Å²	139.1	88%	0.879	74%	0.737	S	S	*	*	S	Bend	trans	80.6	80.9	170.2	-56.8	-175.2	178.1	-178.4	-0.1	116.3	T29	T29-R31 PolarHBondContact O-N 3.17Å
32	Q	24.3	Very low	24.3	Very low	182 Å²	182	140.3 Å²	140.3	85%	0.85	74%	0.743	S	S	*	*			trans	47.1	89.7	149.8	-64	-170.2	-7.3	0	0	118.3
33	P	25.4	Very low	24.2	Very low	76 Å²	76	141.7 Å²	141.7	49%	0.494	75%	0.751	S	S	.	*			trans	-77.5	136.1	167.2	32.1	-34.2	0	0	0	111.5	T29 V35	T29-P33 HydrophobicContact CG2-CB 4.18Å; T29-P33 HydrophobicContact CG2-CG 3.58Å; T29-P33 VanDerWaalsContact OG1-CD 3.3Å; T29-P33 WeakPolarHBondContact OG1-CD 3.48Å; P33-V35 PolarHBondContact O-N 3.22Å
34	I	25.6	Very low	24.1	Very low	142 Å²	142	140.5 Å²	140.5	73%	0.728	76%	0.755	S	S	*	*			trans	-77.1	111.3	172.4	-60.9	170.3	0	0	0	107.9
35	V	24.6	Very low	24.2	Very low	109 Å²	109	139.9 Å²	139.9	66%	0.661	76%	0.757	S	S	*	*			trans	-96.5	109.6	177	-178.6	0	0	0	0	108.9	P33 T37	P33-V35 PolarHBondContact O-N 3.22Å; V35-T37 PolarHBondContact O-N 3.48Å
36	L	24	Very low	24.3	Very low	103 Å²	103	136.9 Å²	136.9	54%	0.539	76%	0.755	S	S	.	*			trans	-79.5	108.9	168.9	-51.2	162.4	0	0	0	108.3	F113	L36-F113 HydrophobicContact CB-CE1 4.34Å; L36-F113 HydrophobicContact CB-CE2 4.05Å; L36-F113 HydrophobicContact CB-CZ 3.49Å; L36-F113 VanDerWaalsContact CB-CZ 3.49Å; L36-F113 HydrophobicContact CD1-CE2 3.97Å; L36-F113 HydrophobicContact CD1-CZ 4.18Å; L36-F113 HydrophobicContact CG-CE2 4.26Å; L36-F113 HydrophobicContact CG-CZ 4.2Å; L36-F113 WeakPolarHBondContact O-CE1 3.42Å; L36-F113 WeakPolarHBondContact O-CZ 3.48Å
37	T	24.1	Very low	24.4	Very low	111 Å²	111	135.1 Å²	135.1	68%	0.681	76%	0.755	S	S	*	*			trans	-99.6	112.1	175.7	-51.3	0	0	0	0	109.2	V35	V35-T37 PolarHBondContact O-N 3.48Å
38	A	23.2	Very low	24.6	Very low	94 Å²	94	134.4 Å²	134.4	78%	0.777	76%	0.755	S	S	*	*			trans	-95.5	109.3	164.8	0	0	0	0	0	108.8
39	A	24.2	Very low	24.7	Very low	85 Å²	85	132.2 Å²	132.2	70%	0.702	76%	0.756	S	S	*	*			trans	-96.7	112.4	169.8	0	0	0	0	0	108.7	G41	A39-G41 PolarHBondContact O-N 3.4Å
40	A	24.3	Very low	24.7	Very low	89 Å²	89	136.6 Å²	136.6	74%	0.736	77%	0.772	S	S	*	*			trans	-64.4	126.9	168.7	0	0	0	0	0	109
41	G	23.3	Very low	24.6	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	77%	0.766	S	S	*	*			trans	-63.8	135.6	-172.4	0	0	0	0	0	113.3	A39	A39-G41 PolarHBondContact O-N 3.4Å
42	F	25.1	Very low	24.5	Very low	209 Å²	209	130.8 Å²	130.8	92%	0.917	77%	0.769	S	S	*	*			trans	-105.5	109.2	159	-80.3	-85.1	0	0	0	108
43	M	22.9	Very low	24.5	Very low	196 Å²	196	129.4 Å²	129.4	97%	0.966	77%	0.768	S	S	*	*			trans	-70.1	126.1	167	-62.1	-178.6	80.3	0	0	108.1
44	S	25.9	Very low	24.6	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	78%	0.781	S	S	*	*			trans	-130.2	115.1	155.3	-171.7	0	0	0	0	107.8
45	S	26.2	Very low	24.5	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	78%	0.777	S	S	*	*			trans	-68.3	127.6	-178.7	50.7	0	0	0	0	111.9
46	T	25.4	Very low	24.5	Very low	139 Å²	139	132.9 Å²	132.9	85%	0.853	79%	0.787	S	S	*	*			trans	-144.3	128.5	153.5	49	0	0	0	0	111.4
47	N	24.5	Very low	24.5	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	80%	0.798	S	S	*	*			trans	-48.3	140.2	-173.5	-64.1	-28	0	0	0	118.3
48	S	26.8	Very low	24.6	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	81%	0.809	S	S	*	*			trans	24.5	133.2	137.9	61.7	0	0	0	0	120.9
49	I	25.6	Very low	24.5	Very low	176 Å²	176	140.9 Å²	140.9	90%	0.903	81%	0.81	S	S	*	*			trans	-160.4	141.4	130.3	-89.5	140.1	0	0	0	109.6
50	E	23.3	Very low	24.5	Very low	165 Å²	165	142 Å²	142	77%	0.771	81%	0.813	S	S	*	*			trans	-81.7	161.8	-167.7	-60.6	171.9	139.4	0	0	115.3
51	T	22.8	Very low	24.4	Very low	127 Å²	127	142.7 Å²	142.7	78%	0.779	80%	0.803	S	S	*	*			trans	62.4	121.9	144.2	51.2	0	0	0	0	120.8
52	M	23.7	Very low	24.5	Very low	194 Å²	194	148.6 Å²	148.6	96%	0.956	81%	0.808	S	S	*	*				-172.6	146.2	111.7	-102.4	-168	162.5	0	0	114.1
53	N	24.1	Very low	24.5	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	80%	0.8	S	S	*	*			trans	-71.9	168.8	-179.4	-75.2	-38.9	0	0	0	114.8
54	N	26.9	Very low	24.6	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	79%	0.794	S	S	*	*			trans	97.1	100.5	154.1	-71.2	-14.5	0	0	0	119.4
55	S	23.6	Very low	24.5	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	79%	0.79	S	S	*	*				32.5	124.3	123.4	39.4	0	0	0	0	120.5
56	N	24.1	Very low	24.4	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	80%	0.799	S	S	*	*			trans	88.1	128.8	155.5	-62.5	-23.2	0	0	0	118.3
57	A	24.7	Very low	24.3	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	79%	0.791	S	S	*	*			trans	85.6	93.4	168	0	0	0	0	0	117.5	R59	A57-R59 PolarHBondContact O-N 2.97Å
58	N	25.4	Very low	24.2	Very low	171 Å²	171	144 Å²	144	91%	0.914	80%	0.796	S	S	*	*			trans	30.8	77.8	131.1	-72.1	-12.4	0	0	0	116.9
59	R	21.9	Very low	24.1	Very low	213 Å²	213	143.9 Å²	143.9	80%	0.804	80%	0.796	S	S	*	*			trans	-159.1	81.4	152.3	-117.8	178.9	177.6	-162.4	1.2	109.3	A57 I61	A57-R59 PolarHBondContact O-N 2.97Å; R59-I61 HydrophobicContact CB-CG1 4.37Å; R59-I61 HydrophobicContact CG-CD1 4.08Å; R59-I61 HydrophobicContact CG-CG1 4.04Å; R59-I61 PolarHBondContact O-N 3.47Å
60	S	23.2	Very low	23.9	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	78%	0.783	S	S	*	*			trans	-74.4	67.8	160.4	52.4	0	0	0	0	108.8	F62	S60-F62 PolarHBondContact O-N 3.18Å
61	I	23.9	Very low	24	Very low	102 Å²	102	138.8 Å²	138.8	52%	0.523	78%	0.778	S	S	.	*			trans	-65.2	110.8	156.9	-66.4	173.8	0	0	0	104.3	R59 N63	R59-I61 HydrophobicContact CB-CG1 4.37Å; R59-I61 HydrophobicContact CG-CD1 4.08Å; R59-I61 HydrophobicContact CG-CG1 4.04Å; R59-I61 PolarHBondContact O-N 3.47Å; I61-N63 VanDerWaalsContact C-N 3.29Å; I61-N63 PolarHBondContact O-N 3.31Å
62	F	24.8	Very low	24.1	Very low	199 Å²	199	139.8 Å²	139.8	87%	0.873	77%	0.774	S	S	*	*			trans	-56.3	90.5	176	-76.9	-94.9	0	0	0	109.6	S60	S60-F62 PolarHBondContact O-N 3.18Å
63	N	24.1	Very low	24.3	Very low	140 Å²	140	138.3 Å²	138.3	75%	0.749	76%	0.764	S	S	*	*			trans	-88.3	114.9	169.4	-99.5	-16.2	0	0	0	108.6	I61	I61-N63 VanDerWaalsContact C-N 3.29Å; I61-N63 PolarHBondContact O-N 3.31Å
64	N	25.3	Very low	24.7	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	75%	0.746	S	S	*	*			trans	28	112.7	139	-71.6	-15.8	0	0	0	117.8
65	G	23.5	Very low	24.8	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	73%	0.732	S	S	*	*			trans	153.2	86.9	157	0	0	0	0	0	114.2
66	N	25.4	Very low	25.3	Very low	178 Å²	178	131.9 Å²	131.9	95%	0.952	72%	0.724	S	S	*	*	S	Bend	trans	45.2	92.6	145.6	-63.2	-13.8	0	0	0	118.1
67	G	23.6	Very low	26	Very low	65 Å²	65	127 Å²	127	67%	0.67	70%	0.698	S	S	*	*			trans	159.1	75.7	162.7	0	0	0	0	0	110.3	S69	G67-S69 PolarHBondContact O-N 3.42Å
68	F	22.3	Very low	26.7	Very low	210 Å²	210	129 Å²	129	92%	0.921	71%	0.706	S	S	*	*			trans	-61.4	91.6	167	-72.9	-80.9	0	0	0	108.1	T70	F68-T70 VanDerWaalsContact C-N 3.3Å; F68-T70 PolarHBondContact O-N 2.83Å
69	S	23	Very low	27.3	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	69%	0.691	S	S	*	*			trans	-78.8	88.1	160.9	54.2	0	0	0	0	106.1	G67 I71	G67-S69 PolarHBondContact O-N 3.42Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.33Å
70	T	23	Very low	28	Very low	103 Å²	103	117.3 Å²	117.3	63%	0.632	67%	0.672	S	S	*	*			trans	-63.9	102.9	164.3	30.8	0	0	0	0	107.2	F68 H72	F68-T70 VanDerWaalsContact C-N 3.3Å; F68-T70 PolarHBondContact O-N 2.83Å; T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 3.4Å
71	I	24.6	Very low	28.5	Very low	131 Å²	131	118 Å²	118	67%	0.672	66%	0.664	S	S	*	*			trans	-60.5	103.9	172.6	-63.5	169.9	0	0	0	106.7	S69 H73	S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.33Å; I71-H73 PolarHBondContact O-N 2.77Å
72	H	25.6	Very low	29	Very low	147 Å²	147	120.3 Å²	120.3	68%	0.681	67%	0.667	S	S	*	*			trans	-65.9	98.4	173.8	-76.7	-98.5	0	0	0	108.7	T70 V74	T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 3.4Å; H72-V74 VanDerWaalsContact C-N 3.26Å; H72-V74 PolarHBondContact O-N 2.98Å
73	H	28.3	Very low	29.3	Very low	164 Å²	164	114.7 Å²	114.7	76%	0.759	65%	0.645	S	S	*	*			trans	-73.2	88.9	161.4	-74.8	-76.7	0	0	0	107.7	I71 P75	I71-H73 PolarHBondContact O-N 2.77Å; H73-P75 WeakPolarHBondContact O-CD 3.33Å
74	V	31.2	Very low	29.5	Very low	70 Å²	70	111.4 Å²	111.4	42%	0.424	63%	0.631	S	S	.	*			trans	-63.5	117.6	167.2	-175.4	0	0	0	0	106.3	H72 K76 Y82	H72-V74 VanDerWaalsContact C-N 3.26Å; H72-V74 PolarHBondContact O-N 2.98Å; V74-K76 PolarHBondContact O-N 3.05Å; V74-Y82 HydrophobicContact CB-CD1 3.71Å; V74-Y82 HydrophobicContact CB-CE1 3.85Å; V74-Y82 HydrophobicContact CG1-CD1 3.6Å; V74-Y82 HydrophobicContact CG1-CE1 4.27Å; V74-Y82 HydrophobicContact CG2-CE1 4.43Å
75	P	30.4	Very low	29.7	Very low	76 Å²	76	108.3 Å²	108.3	49%	0.494	62%	0.62	S	S	.	*			trans	-61.5	133.9	-176.3	23	-30.6	0	0	0	109.7	H73 I83	H73-P75 WeakPolarHBondContact O-CD 3.33Å; P75-I83 HydrophobicContact CB-CD1 4.21Å; P75-I83 WeakPolarHBondContact O-CB 3.39Å; P75-I83 WeakPolarHBondContact O-CG1 3.33Å; P75-I83 PolarHBondContact O-N 3.27Å
76	K	33.1	Very low	30	Very low	108 Å²	108	110.6 Å²	110.6	47%	0.47	62%	0.616	S	S	.	*	B	Isolated β-bridge	trans	-106.4	143.3	177.4	-70.6	171.7	168.1	-160	0	108.2	V74 G80 E81 Y82	V74-K76 PolarHBondContact O-N 3.05Å; K76-G80 VanDerWaalsContact CD-O 3.25Å; K76-G80 WeakPolarHBondContact CD-O 3.39Å; K76-E81 CarbonylContact C-O 3.53Å; K76-E81 WeakPolarHBondContact CA-O 3.27Å; K76-E81 WeakPolarHBondContact CB-O 3.23Å; K76-Y82 HydrophobicContact CG-CD1 4.12Å; K76-Y82 HydrophobicContact CG-CE1 4.39Å; K76-Y82 HydrophobicContact CG-CG 4.5Å
77	N	39	Very low	30.4	Very low	62 Å²	62	104.1 Å²	104.1	33%	0.332	58%	0.579	S	S	.	*			trans	-67.3	178	173.7	65.2	6.6	0	0	0	110.6	T79 G80 E81 I83	N77-T79 PolarHBondContact ND2-OG1 3.32Å; N77-T79 VanDerWaalsContact ND2-OG1 3.11Å; N77-T79 PolarHBondContact O-N 2.63Å; N77-T79 VanDerWaalsContact O-N 3.09Å; N77-T79 PolarHBondContact OD1-N 3.29Å; N77-T79 PolarHBondContact OD1-OG1 3.04Å; N77-G80 PolarHBondContact O-N 3.45Å; N77-G80 PolarHBondContact OD1-N 3.38Å; N77-G80 VanDerWaalsContact OD1-N 3.14Å; N77-E81 PolarHBondContact N-O 3.41Å; N77-E81 WeakPolarHBondContact OD1-CA 3.29Å; N77-E81 WeakPolarHBondContact OD1-CB 3.44Å; N77-E81 PolarHBondContact OD1-N 2.86Å; N77-E81 PolarHBondContact OD1-O 3.34Å; N77-I83 HydrophobicContact CB-CG1 4.22Å
78	S	39.5	Very low	30.7	Very low	132 Å²	132	106.3 Å²	106.3	92%	0.923	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-17.8	179.3	52.1	0	0	0	0	114.1
79	T	37.8	Very low	31.1	Very low	100 Å²	100	98.8 Å²	98.8	61%	0.613	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.3	174.5	58.2	0	0	0	0	113	N77 E81	N77-T79 PolarHBondContact ND2-OG1 3.32Å; N77-T79 VanDerWaalsContact ND2-OG1 3.11Å; N77-T79 PolarHBondContact O-N 2.63Å; N77-T79 VanDerWaalsContact O-N 3.09Å; N77-T79 PolarHBondContact OD1-N 3.29Å; N77-T79 PolarHBondContact OD1-OG1 3.04Å; T79-E81 VanDerWaalsContact C-N 3.33Å; T79-E81 PolarHBondContact OG1-OE2 2.93Å
80	G	37.2	Very low	31.3	Very low	39 Å²	39	96.4 Å²	96.4	40%	0.402	54%	0.536	S	S	.	.	S	Bend	trans	82.6	7.2	179.2	0	0	0	0	0	114.4	K76 N77	K76-G80 VanDerWaalsContact CD-O 3.25Å; K76-G80 WeakPolarHBondContact CD-O 3.39Å; N77-G80 PolarHBondContact O-N 3.45Å; N77-G80 PolarHBondContact OD1-N 3.38Å; N77-G80 VanDerWaalsContact OD1-N 3.14Å
81	E	33.4	Very low	31.4	Very low	125 Å²	125	93.9 Å²	93.9	58%	0.584	53%	0.526	S	S	*	.			trans	-84.5	141.7	177.1	-64.1	177.4	143.6	0	0	111	K76 N77 T79 I83	K76-E81 CarbonylContact C-O 3.53Å; K76-E81 WeakPolarHBondContact CA-O 3.27Å; K76-E81 WeakPolarHBondContact CB-O 3.23Å; N77-E81 PolarHBondContact N-O 3.41Å; N77-E81 WeakPolarHBondContact OD1-CA 3.29Å; N77-E81 WeakPolarHBondContact OD1-CB 3.44Å; N77-E81 PolarHBondContact OD1-N 2.86Å; N77-E81 PolarHBondContact OD1-O 3.34Å; T79-E81 VanDerWaalsContact C-N 3.33Å; T79-E81 PolarHBondContact OG1-OE2 2.93Å; E81-I83 PolarHBondContact O-N 3.5Å
82	Y	34.1	Very low	31.6	Very low	149 Å²	149	90.4 Å²	90.4	58%	0.584	51%	0.507	S	S	*	.	B	Isolated β-bridge	trans	-61.9	127.2	178.6	-72.2	-77.2	0	0	0	110.7	V74 K76 P84	V74-Y82 HydrophobicContact CB-CD1 3.71Å; V74-Y82 HydrophobicContact CB-CE1 3.85Å; V74-Y82 HydrophobicContact CG1-CD1 3.6Å; V74-Y82 HydrophobicContact CG1-CE1 4.27Å; V74-Y82 HydrophobicContact CG2-CE1 4.43Å; K76-Y82 HydrophobicContact CG-CD1 4.12Å; K76-Y82 HydrophobicContact CG-CE1 4.39Å; K76-Y82 HydrophobicContact CG-CG 4.5Å; Y82-P84 VanDerWaalsContact O-CD 3.23Å; Y82-P84 WeakPolarHBondContact O-CD 3.22Å
83	I	31.5	Very low	31.5	Very low	81 Å²	81	87.7 Å²	87.7	42%	0.415	50%	0.497	S	S	.	.			trans	-76.2	111.4	172.3	-57	172	0	0	0	106.7	P75 N77 E81	P75-I83 HydrophobicContact CB-CD1 4.21Å; P75-I83 WeakPolarHBondContact O-CB 3.39Å; P75-I83 WeakPolarHBondContact O-CG1 3.33Å; P75-I83 PolarHBondContact O-N 3.27Å; N77-I83 HydrophobicContact CB-CG1 4.22Å; E81-I83 PolarHBondContact O-N 3.5Å
84	P	28.4	Very low	31.5	Very low	71 Å²	71	81.9 Å²	81.9	46%	0.461	48%	0.478	S	S	.	.			trans	-63.1	141.4	177.6	26.9	-32.4	0	0	0	108.8	Y82 N86	Y82-P84 VanDerWaalsContact O-CD 3.23Å; Y82-P84 WeakPolarHBondContact O-CD 3.22Å; P84-N86 PolarHBondContact O-N 3.25Å
85	P	28.8	Very low	31.2	Very low	93 Å²	93	80.8 Å²	80.8	60%	0.604	47%	0.472	S	S	*	.			trans	-60.4	109.8	173.7	24.6	-31.1	0	0	0	107.8	F87	P85-F87 PolarHBondContact O-N 3.02Å
86	N	29.8	Very low	31.1	Very low	119 Å²	119	82 Å²	82	64%	0.636	49%	0.488	S	S	*	.			trans	-52.1	132.7	163.5	-75.2	-17.3	0	0	0	106.8	P84 I88	P84-N86 PolarHBondContact O-N 3.25Å; N86-I88 PolarHBondContact O-N 2.95Å
87	F	34.5	Very low	30.7	Very low	42 Å²	42	82.2 Å²	82.2	18%	0.184	49%	0.491	C	S	.	.			trans	-43.5	120.2	-174.5	-59.9	-87.8	0	0	0	109.7	P85 T89 Y317 V349 V375	P85-F87 PolarHBondContact O-N 3.02Å; F87-T89 PolarHBondContact O-N 3.19Å; F87-Y317 HydrophobicContact CB-CE2 4.4Å; F87-Y317 HydrophobicContact CD1-CE2 4.49Å; F87-Y317 HydrophobicContact CD2-CD2 4.33Å; F87-Y317 AromaticContact CD2-CE2 3.49Å; F87-Y317 HydrophobicContact CD2-CE2 3.49Å; F87-Y317 VanDerWaalsContact CD2-CE2 3.49Å; F87-Y317 AromaticContact CD2-CZ 3.62Å; F87-Y317 AromaticContact CE2-CE2 3.77Å; F87-Y317 HydrophobicContact CE2-CE2 3.77Å; F87-Y317 HydrophobicContact CG-CD2 4.29Å; F87-Y317 AromaticContact CG-CE2 3.88Å; F87-Y317 HydrophobicContact CG-CE2 3.88Å; F87-Y317 HydrophobicContact CZ-CE2 4.38Å; F87-V349 HydrophobicContact CE1-CB 4.04Å; F87-V349 HydrophobicContact CE1-CG1 3.75Å; F87-V349 HydrophobicContact CZ-CB 4.24Å; F87-V349 HydrophobicContact CZ-CG1 3.7Å; F87-V375 HydrophobicContact CD1-CG2 4.06Å; F87-V375 HydrophobicContact CE1-CG2 3.87Å
88	I	28.8	Very low	30.1	Very low	111 Å²	111	82.9 Å²	82.9	57%	0.569	50%	0.5	S	S	*	.			trans	-74.4	84.3	171.6	-61.3	177.4	0	0	0	105.6	N86 G90 A91	N86-I88 PolarHBondContact O-N 2.95Å; I88-G90 PolarHBondContact O-N 3.42Å; I88-A91 HydrophobicContact CG2-CB 3.12Å
89	T	30.6	Very low	29.6	Very low	52 Å²	52	82 Å²	82	32%	0.319	48%	0.484	S	S	.	.	S	Bend	trans	-75	111.3	159	52.1	0	0	0	0	106	F87 Y317	F87-T89 PolarHBondContact O-N 3.19Å; T89-Y317 HydrophobicContact CG2-CD1 3.94Å; T89-Y317 HydrophobicContact CG2-CG 3.96Å
90	G	28.1	Very low	29.1	Very low	49 Å²	49	85.6 Å²	85.6	51%	0.505	49%	0.492	S	S	.	.			trans	91.2	20.9	165.3	0	0	0	0	0	118.1	I88 H92	I88-G90 PolarHBondContact O-N 3.42Å; G90-H92 WeakPolarHBondContact CA-CD2 3.29Å; G90-H92 PolarHBondContact O-CD2 2.92Å; G90-H92 PolarHBondContact O-N 3.16Å
91	A	25.7	Very low	28.6	Very low	51 Å²	51	87.7 Å²	87.7	42%	0.421	50%	0.5	S	S	.	.			trans	-73.7	89.1	163.2	0	0	0	0	0	109	I88	I88-A91 HydrophobicContact CG2-CB 3.12Å
92	H	27.1	Very low	28.2	Very low	58 Å²	58	89 Å²	89	27%	0.269	51%	0.511	S	S	.	.			trans	-105.2	149.6	173.7	-67.3	-93.3	0	0	0	109.9	G90 A94 E420 S421	G90-H92 WeakPolarHBondContact CA-CD2 3.29Å; G90-H92 PolarHBondContact O-CD2 2.92Å; G90-H92 PolarHBondContact O-N 3.16Å; H92-A94 PolarHBondContact O-N 3.2Å; H92-E420 WeakPolarHBondContact CB-O 3.03Å; H92-E420 PolarHBondContact ND1-O 2.94Å; H92-S421 VanDerWaalsContact CB-CA 3.44Å; H92-S421 PolarHBondContact CD2-O 3.18Å; H92-S421 PolarHBondContact NE2-O 2.95Å
93	L	25	Very low	28	Very low	89 Å²	89	89.5 Å²	89.5	47%	0.466	52%	0.522	S	S	.	.			trans	-75.1	108.1	175.9	-59.5	162.9	0	0	0	106.8	W111	L93-W111 HydrophobicContact CB-CB 4.32Å; L93-W111 HydrophobicContact CB-CD2 4.01Å; L93-W111 HydrophobicContact CB-CE3 3.33Å; L93-W111 HydrophobicContact CB-CG 4.47Å; L93-W111 HydrophobicContact CB-CZ3 3.81Å; L93-W111 HydrophobicContact CD1-CD2 4.32Å; L93-W111 HydrophobicContact CD1-CE3 4.36Å; L93-W111 HydrophobicContact CD2-CB 3.73Å; L93-W111 HydrophobicContact CD2-CG 4.4Å; L93-W111 HydrophobicContact CG-CB 4.46Å; L93-W111 HydrophobicContact CG-CE3 4.35Å
94	A	27.6	Very low	28	Very low	43 Å²	43	92.3 Å²	92.3	36%	0.355	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-95.6	126.1	175.1	0	0	0	0	0	109.7	H92	H92-A94 PolarHBondContact O-N 3.2Å
95	P	25.5	Very low	27.9	Very low	46 Å²	46	97.5 Å²	97.5	30%	0.299	55%	0.553	S	S	.	*			trans	-66	137	163	25.2	-28.6	0	0	0	108.6	H97 E420	P95-H97 PolarHBondContact O-CD2 3.46Å; P95-H97 PolarHBondContact O-N 3.26Å; P95-E420 WeakPolarHBondContact CD-OE2 3.3Å; P95-E420 WeakPolarHBondContact CG-OE2 3.22Å
96	A	26.7	Very low	28.1	Very low	102 Å²	102	101 Å²	101	84%	0.843	56%	0.562	S	S	*	*			trans	-67.8	93.7	179.5	0	0	0	0	0	109.6	S98	A96-S98 VanDerWaalsContact C-N 3.3Å; A96-S98 PolarHBondContact O-N 2.96Å
97	H	26	Very low	27.9	Very low	113 Å²	113	99.2 Å²	99.2	52%	0.523	55%	0.552	S	S	.	*			trans	-65.1	89.8	168.5	-59	-78.4	0	0	0	108.8	P95 I99	P95-H97 PolarHBondContact O-CD2 3.46Å; P95-H97 PolarHBondContact O-N 3.26Å; H97-I99 PolarHBondContact O-N 3.5Å
98	S	27.1	Very low	27.6	Very low	76 Å²	76	106.9 Å²	106.9	53%	0.531	58%	0.581	S	S	.	*			trans	-83.8	107.3	166.1	174.7	0	0	0	0	107.7	A96 F100 S101	A96-S98 VanDerWaalsContact C-N 3.3Å; A96-S98 PolarHBondContact O-N 2.96Å; S98-F100 PolarHBondContact O-N 3.36Å; S98-S101 PolarHBondContact O-N 3.11Å
99	I	27.5	Very low	27.5	Very low	113 Å²	113	107.2 Å²	107.2	58%	0.579	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-2.1	-177.1	-55.7	167.6	0	0	0	112.9	H97	H97-I99 PolarHBondContact O-N 3.5Å
100	F	27.5	Very low	27.3	Very low	176 Å²	176	113.4 Å²	113.4	77%	0.772	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	22.9	-176.7	-58.9	-71.6	0	0	0	115.8	S98 D102	S98-F100 PolarHBondContact O-N 3.36Å; F100-D102 PolarHBondContact O-N 3.15Å
101	S	26.5	Very low	27.2	Very low	83 Å²	83	118.3 Å²	118.3	58%	0.58	62%	0.615	S	S	*	*			trans	-90.7	107.5	177.7	55.3	0	0	0	0	112	S98	S98-S101 PolarHBondContact O-N 3.11Å
102	D	26	Very low	27.2	Very low	151 Å²	151	119.7 Å²	119.7	81%	0.807	62%	0.621	S	S	*	*			trans	-36.4	131.9	174.5	-69.5	-50.1	0	0	0	114	F100 N104	F100-D102 PolarHBondContact O-N 3.15Å; D102-N104 PolarHBondContact O-N 3.27Å
103	I	30.3	Very low	27.1	Very low	161 Å²	161	121.3 Å²	121.3	83%	0.826	63%	0.627	S	S	*	*	S	Bend	trans	-49.1	-2	-172.9	-95.1	164.6	0	0	0	117
104	N	29.8	Very low	27.1	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	64%	0.639	S	S	*	*			trans	-114	33.2	-161.9	-74.5	-26.5	0	0	0	116.6	D102	D102-N104 PolarHBondContact O-N 3.27Å
105	K	26.9	Very low	27	Very low	179 Å²	179	124.8 Å²	124.8	78%	0.778	65%	0.653	S	S	*	*			trans	-137.4	112	163.4	-72.7	-164.9	176.2	-173.1	0	113.8	N107	K105-N107 PolarHBondContact O-N 2.78Å
106	E	32.6	Very low	27	Very low	168 Å²	168	128.9 Å²	128.9	79%	0.785	68%	0.677	S	S	*	*			trans	-91.6	32.7	-166.5	-65.7	-172.1	142.1	0	0	116.7
107	N	26.8	Very low	27	Very low	80 Å²	80	132 Å²	132	43%	0.428	67%	0.672	S	S	.	*			trans	-146.6	100.8	175.4	-91.2	-40	0	0	0	115.5	V17 K105	V17-N107 WeakPolarHBondContact CG1-ND2 3.45Å; V17-N107 PolarHBondContact O-ND2 2.74Å; K105-N107 PolarHBondContact O-N 2.78Å
108	Y	28.1	Very low	27	Very low	203 Å²	203	131 Å²	131	80%	0.796	67%	0.67	S	S	*	*			trans	-91.1	124.9	174.7	-59.1	-92.4	0	0	0	110.4
109	T	25.6	Very low	26.9	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	67%	0.671	S	S	*	*			trans	-154.2	67	163.2	43.8	0	0	0	0	112.6
110	K	27.7	Very low	27	Very low	181 Å²	181	129.8 Å²	129.8	79%	0.787	67%	0.67	S	S	*	*			trans	-171.8	149.7	150.7	-117.4	169.4	-179	177.3	0	114.7
111	W	25.5	Very low	27	Very low	153 Å²	153	127.2 Å²	127.2	58%	0.58	67%	0.669	S	S	*	*			trans	-116.1	154.4	-177.2	-54.1	86	0	0	0	111.2	L93	L93-W111 HydrophobicContact CB-CB 4.32Å; L93-W111 HydrophobicContact CB-CD2 4.01Å; L93-W111 HydrophobicContact CB-CE3 3.33Å; L93-W111 HydrophobicContact CB-CG 4.47Å; L93-W111 HydrophobicContact CB-CZ3 3.81Å; L93-W111 HydrophobicContact CD1-CD2 4.32Å; L93-W111 HydrophobicContact CD1-CE3 4.36Å; L93-W111 HydrophobicContact CD2-CB 3.73Å; L93-W111 HydrophobicContact CD2-CG 4.4Å; L93-W111 HydrophobicContact CG-CB 4.46Å; L93-W111 HydrophobicContact CG-CE3 4.35Å
112	S	25.9	Very low	27.1	Very low	80 Å²	80	129 Å²	129	56%	0.559	68%	0.678	S	S	*	*	B	Isolated β-bridge	trans	-140.3	151.1	173.3	55.5	0	0	0	0	111.6
113	F	25.3	Very low	27.1	Very low	91 Å²	91	127 Å²	127	40%	0.399	68%	0.676	S	S	.	*			trans	-107.6	135.7	174.6	51.9	-84.2	0	0	0	108.6	L36	L36-F113 HydrophobicContact CB-CE1 4.34Å; L36-F113 HydrophobicContact CB-CE2 4.05Å; L36-F113 HydrophobicContact CB-CZ 3.49Å; L36-F113 VanDerWaalsContact CB-CZ 3.49Å; L36-F113 HydrophobicContact CD1-CE2 3.97Å; L36-F113 HydrophobicContact CD1-CZ 4.18Å; L36-F113 HydrophobicContact CG-CE2 4.26Å; L36-F113 HydrophobicContact CG-CZ 4.2Å; L36-F113 WeakPolarHBondContact O-CE1 3.42Å; L36-F113 WeakPolarHBondContact O-CZ 3.48Å
114	S	25	Very low	27	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	68%	0.679	S	S	*	*			trans	-110	129.4	175.2	178.1	0	0	0	0	108.6
115	T	25.6	Very low	26.9	Very low	104 Å²	104	128.9 Å²	128.9	64%	0.638	68%	0.681	S	S	*	*			trans	-119.1	117	164.9	61	0	0	0	0	107.2	F117	T115-F117 PolarHBondContact O-N 2.85Å
116	T	25	Very low	26.9	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	68%	0.682	S	S	*	*			trans	-72.2	111.2	176	19.7	0	0	0	0	109.7
117	F	25.7	Very low	26.7	Very low	167 Å²	167	129.1 Å²	129.1	73%	0.732	69%	0.687	S	S	*	*			trans	-104.1	122.8	168.5	174.2	-107.4	0	0	0	108.3	T115 P119	T115-F117 PolarHBondContact O-N 2.85Å; F117-P119 HydrophobicContact CD1-CB 4.49Å; F117-P119 HydrophobicContact CD1-CG 4.15Å; F117-P119 HydrophobicContact CE1-CB 3.6Å; F117-P119 HydrophobicContact CE1-CG 3.55Å; F117-P119 HydrophobicContact CZ-CB 3.63Å; F117-P119 HydrophobicContact CZ-CG 4.13Å
118	N	25.6	Very low	26.6	Very low	92 Å²	92	134 Å²	134	49%	0.492	71%	0.707	S	S	.	*			trans	-123.6	98.8	171.7	-164	2.2	0	0	0	109.8	S120	N118-S120 PolarHBondContact O-N 3.14Å
119	P	26.9	Very low	26.6	Very low	84 Å²	84	131.4 Å²	131.4	55%	0.545	71%	0.711	S	S	.	*			trans	-72.6	109.8	-177.7	26.6	-28.3	0	0	0	110.3	F117 T121	F117-P119 HydrophobicContact CD1-CB 4.49Å; F117-P119 HydrophobicContact CD1-CG 4.15Å; F117-P119 HydrophobicContact CE1-CB 3.6Å; F117-P119 HydrophobicContact CE1-CG 3.55Å; F117-P119 HydrophobicContact CZ-CB 3.63Å; F117-P119 HydrophobicContact CZ-CG 4.13Å; P119-T121 PolarHBondContact O-N 2.87Å
120	S	28.8	Very low	26.5	Very low	79 Å²	79	132.1 Å²	132.1	55%	0.552	71%	0.711	S	S	*	*			trans	-65	117.9	169.6	38.1	0	0	0	0	111.5	N118	N118-S120 PolarHBondContact O-N 3.14Å
121	T	27.5	Very low	26.3	Very low	123 Å²	123	131.4 Å²	131.4	76%	0.755	71%	0.71	S	S	*	*			trans	52.8	127.6	142.2	-0.8	0	0	0	0	119.6	P119 S123	P119-T121 PolarHBondContact O-N 2.87Å; T121-S123 PolarHBondContact O-N 2.96Å
122	P	28.4	Very low	26.2	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	72%	0.724	S	S	*	*			trans	-65	121.1	179.2	-2.8	16.6	0	0	0	110.3	Q124	P122-Q124 PolarHBondContact O-N 2.64Å
123	S	26.8	Very low	26	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	73%	0.734	S	S	*	*			trans	-53.7	102.3	164.8	54.4	0	0	0	0	109.6	T121 L125	T121-S123 PolarHBondContact O-N 2.96Å; S123-L125 PolarHBondContact O-N 2.81Å
124	Q	28.3	Very low	26	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	76%	0.755	S	S	*	*			trans	-64.6	114.6	159.9	-81.5	-89.2	5.9	0	0	106.6	P122	P122-Q124 PolarHBondContact O-N 2.64Å
125	L	27.9	Very low	25.8	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	75%	0.751	S	S	*	*			trans	-65.5	132.1	-172.7	-170.8	73.3	0	0	0	110.5	S123 K127	S123-L125 PolarHBondContact O-N 2.81Å; L125-K127 PolarHBondContact O-N 2.04Å
126	N	26.2	Very low	25.6	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	76%	0.757	S	S	*	*			trans	-30.2	125.1	167.3	-60.5	-25.5	0	0	0	113.8
127	K	28.5	Very low	25.8	Very low	204 Å²	204	143.8 Å²	143.8	89%	0.887	76%	0.761	S	S	*	*			trans	-134.8	129.7	143.7	-80.4	-168.6	177.5	177.7	0	109.8	L125	L125-K127 PolarHBondContact O-N 2.04Å
128	E	25.1	Very low	26	Very low	183 Å²	183	141 Å²	141	86%	0.855	76%	0.76	S	S	*	*			trans	-53.9	140.4	-173.2	-63.3	152.3	145.4	0	0	113.8
129	V	26.5	Very low	25.8	Very low	147 Å²	147	143.9 Å²	143.9	89%	0.891	77%	0.774	S	S	*	*			trans	-137.6	123.6	143.9	-179.1	0	0	0	0	107.7
130	N	24.1	Very low	25.6	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	79%	0.79	S	S	*	*			trans	-71.3	152.5	-179.6	-90.2	-22.9	0	0	0	113.1
131	E	22.8	Very low	25.4	Very low	165 Å²	165	153.2 Å²	153.2	77%	0.771	80%	0.801	S	S	*	*			trans	36	120.2	143.1	-61.1	-173.8	153.4	0	0	119.2
132	D	24.3	Very low	25.2	Very low	162 Å²	162	155.7 Å²	155.7	87%	0.866	80%	0.804	S	S	*	*				-168.1	145.1	109.3	-95.4	-29.8	0	0	0	113.1
133	I	21.9	Very low	24.8	Very low	150 Å²	150	158 Å²	158	77%	0.769	81%	0.805	S	S	*	*			trans	-89.3	136.4	-175.5	-67.1	163.7	0	0	0	110.2
134	L	25	Very low	24.5	Very low	161 Å²	161	159.2 Å²	159.2	84%	0.843	80%	0.803	S	S	*	*			trans	-170.2	94.2	149.2	-140.1	64.7	0	0	0	110
135	T	21.4	Very low	24.3	Very low	101 Å²	101	158.5 Å²	158.5	62%	0.62	80%	0.8	S	S	*	*				53.9	119.4	98.3	59.2	0	0	0	0	118.1
136	D	22.1	Very low	24	Very low	144 Å²	144	156.5 Å²	156.5	77%	0.77	79%	0.794	S	S	*	*			trans	64.2	129.3	145.6	-75.3	-26	0	0	0	121.1
137	F	27.6	Very low	23.8	Very low	205 Å²	205	158.6 Å²	158.6	90%	0.899	80%	0.799	S	S	*	*				-178.9	156.9	121.3	-90.9	-58.3	0	0	0	110.8
138	P	31.1	Very low	23.4	Very low	109 Å²	109	151.9 Å²	151.9	71%	0.708	79%	0.788	S	S	*	*			trans	-121.6	174	-134.7	23.3	1.8	0	0	0	114.3
139	L	20.6	Very low	23.3	Very low	152 Å²	152	152.6 Å²	152.6	80%	0.796	79%	0.791	S	S	*	*			trans	-19.6	134.6	164.4	-79.7	122.1	0	0	0	118.3
140	H	23.8	Very low	23.1	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.875	79%	0.785	S	S	*	*			trans	-137	119.1	145.2	-120.2	51.2	0	0	0	111.3
141	E	22.9	Very low	23	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	79%	0.79	S	S	*	*			trans	-78.2	148.9	162.3	-70.1	177.8	130.6	0	0	110.5
142	Q	24	Very low	22.9	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	79%	0.791	S	S	*	*			trans	172.3	104.5	137.8	-96.3	173.3	14.8	0	0	107.8
143	Q	20.2	Very low	22.9	Very low	168 Å²	168	152.6 Å²	152.6	79%	0.785	79%	0.79	S	S	*	*				70.5	118.4	90.8	-78.7	-171.9	-3.4	0	0	116.3
144	N	21.4	Very low	22.8	Very low	136 Å²	136	149.3 Å²	149.3	73%	0.727	79%	0.793	S	S	*	*			trans	69.3	108	144	-70.4	-13.8	0	0	0	119.3
145	Q	22.5	Very low	22.6	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	79%	0.786	S	S	*	*				160.6	129	96.3	-104.1	167.2	14.4	0	0	113.5
146	T	21.1	Very low	22.6	Very low	109 Å²	109	143.4 Å²	143.4	67%	0.669	79%	0.791	S	S	*	*			trans	53.8	108.8	141.9	-1.3	0	0	0	0	121.5
147	E	22.3	Very low	22.7	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	80%	0.795	S	S	*	*			trans	42.8	108.8	130.1	-59.6	176.2	177.1	0	0	118.6
148	G	21.1	Very low	22.5	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	79%	0.794	S	S	*	*			trans	178.9	89.1	166.2	0	0	0	0	0	110.2	T150	G148-T150 PolarHBondContact O-N 3.03Å; G148-T150 PolarHBondContact O-OG1 3.26Å
149	E	23.3	Very low	22.1	Very low	198 Å²	198	146.6 Å²	146.6	93%	0.925	80%	0.8	S	S	*	*			trans	-43.6	103.9	169.7	-66.4	175.3	154.1	0	0	110.5
150	T	20.7	Very low	22.3	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	80%	0.803	S	S	*	*			trans	-140.5	113.2	166.4	28.8	0	0	0	0	108.3	G148 S152	G148-T150 PolarHBondContact O-N 3.03Å; G148-T150 PolarHBondContact O-OG1 3.26Å; T150-S152 VanDerWaalsContact C-N 3.28Å; T150-S152 PolarHBondContact O-N 3.3Å
151	H	23.1	Very low	22.1	Very low	179 Å²	179	145.9 Å²	145.9	83%	0.829	80%	0.796	S	S	*	*			trans	-56.9	91.3	171.7	-70.9	-105.4	0	0	0	108.8	F153	H151-F153 VanDerWaalsContact C-N 3.35Å; H151-F153 PolarHBondContact O-N 3.03Å
152	S	21.5	Very low	22.1	Very low	114 Å²	114	146 Å²	146	80%	0.797	80%	0.799	S	S	*	*			trans	-79.1	90.1	-179.2	-147.1	0	0	0	0	108.7	T150 G154	T150-S152 VanDerWaalsContact C-N 3.28Å; T150-S152 PolarHBondContact O-N 3.3Å; S152-G154 PolarHBondContact O-N 2.82Å
153	F	22.7	Very low	22.1	Very low	191 Å²	191	146.2 Å²	146.2	84%	0.838	80%	0.8	S	S	*	*			trans	-55.7	104.6	156.4	-87	-95.4	0	0	0	107.7	H151 G155	H151-F153 VanDerWaalsContact C-N 3.35Å; H151-F153 PolarHBondContact O-N 3.03Å; F153-G155 VanDerWaalsContact C-N 3.26Å; F153-G155 PolarHBondContact O-N 3.37Å
154	G	20.5	Very low	22.2	Very low	80 Å²	80	143.9 Å²	143.9	83%	0.825	80%	0.797	S	S	*	*			trans	-69.4	81.6	175.8	0	0	0	0	0	111	S152 G156	S152-G154 PolarHBondContact O-N 2.82Å; G154-G156 PolarHBondContact O-N 3.31Å
155	G	20.6	Very low	22.3	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	80%	0.801	S	S	*	*			trans	-75.7	99	159	0	0	0	0	0	108.9	F153 N157	F153-G155 VanDerWaalsContact C-N 3.26Å; F153-G155 PolarHBondContact O-N 3.37Å; G155-N157 PolarHBondContact O-N 3Å
156	G	21.9	Very low	22.5	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	80%	0.8	S	S	*	*			trans	-71.4	121.8	172	0	0	0	0	0	110.6	G154 Q158	G154-G156 PolarHBondContact O-N 3.31Å; G156-Q158 PolarHBondContact O-N 2.96Å
157	N	23.1	Very low	22.7	Very low	159 Å²	159	146 Å²	146	85%	0.85	81%	0.81	S	S	*	*			trans	-58.1	113.2	176	-74.7	-35.6	0	0	0	111.1	G155 Q159	G155-N157 PolarHBondContact O-N 3Å; N157-Q159 PolarHBondContact O-N 2.78Å; N157-Q159 VanDerWaalsContact O-N 3.07Å
158	Q	23.7	Very low	22.8	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	81%	0.809	S	S	*	*			trans	-70.6	94.9	166	-70.1	177.6	-8	0	0	108.6	G156 Q160	G156-Q158 PolarHBondContact O-N 2.96Å; Q158-Q160 PolarHBondContact O-N 3.43Å
159	Q	24.1	Very low	23	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	81%	0.811	S	S	*	*			trans	-74.3	110	158.3	-77.7	-178.2	-9.3	0	0	107.4	N157 I161	N157-Q159 PolarHBondContact O-N 2.78Å; N157-Q159 VanDerWaalsContact O-N 3.07Å; Q159-I161 PolarHBondContact O-N 3.11Å
160	Q	22.9	Very low	22.9	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	81%	0.805	S	S	*	*			trans	-58	94.3	172.9	-71.6	170.2	-26.1	0	0	109.6	Q158	Q158-Q160 PolarHBondContact O-N 3.43Å
161	I	20.9	Very low	23	Very low	143 Å²	143	149 Å²	149	73%	0.733	81%	0.808	S	S	*	*			trans	-86.5	104.8	156.9	-60.2	176.7	0	0	0	104.9	Q159 E163	Q159-I161 PolarHBondContact O-N 3.11Å; I161-E163 HydrophobicContact CG2-CG 4.36Å; I161-E163 PolarHBondContact O-N 3.2Å; I161-E163 VanDerWaalsContact O-N 3.1Å
162	M	21.7	Very low	22.9	Very low	172 Å²	172	147.3 Å²	147.3	85%	0.847	80%	0.801	S	S	*	*			trans	-64.8	103.5	170.9	-63.7	-142.9	-52.7	0	0	108.2
163	E	24.3	Very low	23	Very low	179 Å²	179	145.4 Å²	145.4	84%	0.836	79%	0.787	S	S	*	*			trans	-114.6	116.7	158.8	-79.7	-173.2	170.3	0	0	108.5	I161	I161-E163 HydrophobicContact CG2-CG 4.36Å; I161-E163 PolarHBondContact O-N 3.2Å; I161-E163 VanDerWaalsContact O-N 3.1Å
164	T	22.9	Very low	23	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	78%	0.784	S	S	*	*			trans	-64.9	136.6	-175	41.6	0	0	0	0	112.7
165	D	23.4	Very low	23.2	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	78%	0.778	S	S	*	*			trans	38.4	98.4	145	-59.8	-25.3	0	0	0	117.6
166	N	26.2	Very low	23.3	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	79%	0.786	S	S	*	*			trans	-144.4	119	141.9	-91.5	-45.1	0	0	0	109.7	F168	N166-F168 PolarHBondContact O-N 3.22Å; N166-F168 VanDerWaalsContact O-N 3.16Å
167	D	26.2	Very low	23.4	Very low	164 Å²	164	158.9 Å²	158.9	88%	0.877	79%	0.79	S	S	*	*			trans	-47.4	108.1	-177.9	-69.1	-53.8	0	0	0	113.3	P169	D167-P169 WeakPolarHBondContact O-CD 3.14Å
168	F	24.7	Very low	23.5	Very low	198 Å²	198	158 Å²	158	87%	0.868	79%	0.785	S	S	*	*			trans	-89.2	112.9	159.5	-81.3	-80.1	0	0	0	108.8	N166 Q170	N166-F168 PolarHBondContact O-N 3.22Å; N166-F168 VanDerWaalsContact O-N 3.16Å; F168-Q170 PolarHBondContact O-N 2.84Å; F168-Q170 VanDerWaalsContact O-N 3.16Å
169	P	23.8	Very low	23.8	Very low	109 Å²	109	153.5 Å²	153.5	71%	0.708	78%	0.78	S	S	*	*			trans	-69.3	116.7	174.1	27.5	-30.2	0	0	0	108.5	D167 I171	D167-P169 WeakPolarHBondContact O-CD 3.14Å; P169-I171 PolarHBondContact O-N 3.14Å
170	Q	23.1	Very low	24.1	Very low	169 Å²	169	152.2 Å²	152.2	79%	0.79	78%	0.779	S	S	*	*			trans	-54.9	111.5	166.4	-66.3	-170.9	-8.8	0	0	108	F168 H172	F168-Q170 PolarHBondContact O-N 2.84Å; F168-Q170 VanDerWaalsContact O-N 3.16Å; Q170-H172 PolarHBondContact O-N 3.09Å
171	I	21.9	Very low	24.3	Very low	164 Å²	164	152.1 Å²	152.1	84%	0.841	77%	0.772	S	S	*	*			trans	-71.3	85.7	171.6	-58.4	174.9	0	0	0	106.2	P169 S173	P169-I171 PolarHBondContact O-N 3.14Å; I171-S173 PolarHBondContact O-N 2.9Å
172	H	21.6	Very low	24.7	Very low	144 Å²	144	153 Å²	153	67%	0.667	78%	0.778	S	S	*	*			trans	-56.3	116.4	156.6	-107.2	-86.6	0	0	0	106.1	Q170 D174	Q170-H172 PolarHBondContact O-N 3.09Å; H172-D174 VanDerWaalsContact C-N 3.26Å; H172-D174 PolarHBondContact O-N 2.96Å
173	S	22.6	Very low	25.1	Very low	74 Å²	74	150.7 Å²	150.7	52%	0.517	76%	0.763	S	S	.	*			trans	-64.2	95.7	169.3	57.2	0	0	0	0	107.1	I171 Y175	I171-S173 PolarHBondContact O-N 2.9Å; S173-Y175 VanDerWaalsContact O-CD2 3.28Å; S173-Y175 WeakPolarHBondContact O-CD2 3.48Å; S173-Y175 PolarHBondContact O-N 3.18Å; S173-Y175 WeakPolarHBondContact OG-CE2 3.35Å
174	D	22.7	Very low	25.4	Very low	145 Å²	145	146 Å²	146	78%	0.775	75%	0.749	S	S	*	*			trans	-63.2	89	166.9	-76.8	-24.7	0	0	0	107.2	H172 L176	H172-D174 VanDerWaalsContact C-N 3.26Å; H172-D174 PolarHBondContact O-N 2.96Å; D174-L176 PolarHBondContact O-N 3.04Å
175	Y	25.1	Very low	26.1	Very low	176 Å²	176	148.9 Å²	148.9	69%	0.69	75%	0.754	S	S	*	*			trans	-61	95.3	160.3	-72.4	-84.9	0	0	0	106.1	S173 Y177	S173-Y175 VanDerWaalsContact O-CD2 3.28Å; S173-Y175 WeakPolarHBondContact O-CD2 3.48Å; S173-Y175 PolarHBondContact O-N 3.18Å; S173-Y175 WeakPolarHBondContact OG-CE2 3.35Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.21Å; Y175-Y177 PolarHBondContact O-N 3.16Å
176	L	23.2	Very low	26.7	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	75%	0.753	S	S	*	*			trans	-60.7	84	157.6	-85.3	152.7	0	0	0	106.9	D174 D178	D174-L176 PolarHBondContact O-N 3.04Å; L176-D178 VanDerWaalsContact C-N 3.34Å; L176-D178 PolarHBondContact O-N 3.29Å
177	Y	24.1	Very low	26.6	Very low	203 Å²	203	148.2 Å²	148.2	80%	0.796	74%	0.742	S	S	*	*			trans	-60.8	102	161.7	-82	-86.7	0	0	0	106.3	Y175 A179	Y175-Y177 WeakPolarHBondContact O-CD2 3.21Å; Y175-Y177 PolarHBondContact O-N 3.16Å; Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.07Å
178	D	25.5	Very low	26.9	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	73%	0.731	S	S	*	*			trans	-65.1	97.4	166.4	-160.5	-7.4	0	0	0	106.6	L176 N180	L176-D178 VanDerWaalsContact C-N 3.34Å; L176-D178 PolarHBondContact O-N 3.29Å; D178-N180 PolarHBondContact O-N 3.21Å
179	A	29	Very low	27.4	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	21.7	-165.1	0	0	0	0	0	114.9	Y177	Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.07Å
180	N	30.4	Very low	27.5	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	24.5	-177.2	-76.7	-26.8	0	0	0	114	D178	D178-N180 PolarHBondContact O-N 3.21Å
181	Y	27.6	Very low	27.5	Very low	182 Å²	182	148.9 Å²	148.9	71%	0.714	73%	0.728	S	S	*	*			trans	-103.8	91.7	170.3	-142.2	-99.1	0	0	0	110.7	F183	Y181-F183 PolarHBondContact O-N 2.88Å
182	D	28.4	Very low	27.7	Very low	161 Å²	161	146.9 Å²	146.9	86%	0.861	72%	0.723	S	S	*	*			trans	-62.2	100.8	167.3	-87.8	-33.1	0	0	0	108.7
183	F	30.8	Very low	27.8	Very low	123 Å²	123	145.8 Å²	145.8	54%	0.539	73%	0.727	S	S	.	*			trans	-64.2	131.1	170.5	-85.2	-88.5	0	0	0	109.1	Y181 E185	Y181-F183 PolarHBondContact O-N 2.88Å; F183-E185 PolarHBondContact O-N 2.84Å
184	P	30	Very low	27.8	Very low	82 Å²	82	149.3 Å²	149.3	53%	0.532	74%	0.738	S	S	.	*			trans	-55.6	132.4	173.1	-21.9	31.6	0	0	0	110.3	E186 M187	P184-E186 PolarHBondContact O-N 3.13Å; P184-M187 PolarHBondContact O-N 2.76Å
185	E	37.6	Very low	27.8	Very low	178 Å²	178	146.8 Å²	146.8	83%	0.832	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-48.3	-26.8	-171.2	-73.6	-176.2	154.1	0	0	114.5	F183 M187 N188	F183-E185 PolarHBondContact O-N 2.84Å; E185-M187 VanDerWaalsContact C-N 3.27Å; E185-M187 PolarHBondContact O-N 3.34Å; E185-N188 PolarHBondContact O-N 3.02Å
186	E	35.5	Very low	27.8	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-64.4	-25.4	179.6	-66.3	179.6	160.4	0	0	114	P184	P184-E186 PolarHBondContact O-N 3.13Å
187	M	25.6	Very low	27.9	Very low	118 Å²	118	141.8 Å²	141.8	58%	0.581	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-85.1	-17.7	178.3	-76.4	-144.9	-123.7	0	0	114.4	P184 E185 K189 Y190	P184-M187 PolarHBondContact O-N 2.76Å; E185-M187 VanDerWaalsContact C-N 3.27Å; E185-M187 PolarHBondContact O-N 3.34Å; M187-K189 PolarHBondContact O-N 3Å; M187-K189 VanDerWaalsContact O-N 3.11Å; M187-Y190 PolarHBondContact O-N 2.68Å; M187-Y190 VanDerWaalsContact O-N 3.11Å
188	N	31.2	Very low	27.8	Very low	122 Å²	122	141.1 Å²	141.1	65%	0.652	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-67.7	-10.8	175	-77.3	-16.7	0	0	0	112.9	E185 Y190	E185-N188 PolarHBondContact O-N 3.02Å; N188-Y190 VanDerWaalsContact C-N 3.3Å
189	K	36.4	Very low	27.8	Very low	176 Å²	176	142 Å²	142	77%	0.765	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-74.9	-19.9	174.1	-164.3	173.3	-179.8	-178	0	113.1	M187	M187-K189 PolarHBondContact O-N 3Å; M187-K189 VanDerWaalsContact O-N 3.11Å
190	Y	25.9	Very low	27.7	Very low	176 Å²	176	142.5 Å²	142.5	69%	0.69	73%	0.733	S	S	*	*			trans	-108.3	78.4	-179.9	-55	-80.1	0	0	0	109.1	M187 N188 V192	M187-Y190 PolarHBondContact O-N 2.68Å; M187-Y190 VanDerWaalsContact O-N 3.11Å; N188-Y190 VanDerWaalsContact C-N 3.3Å; Y190-V192 VanDerWaalsContact C-N 3.34Å; Y190-V192 PolarHBondContact O-N 2.84Å
191	Q	23.4	Very low	27.6	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	74%	0.736	S	S	*	*			trans	-62.8	103.5	160.1	-96.5	-177.6	-34.2	0	0	107.4	V193	Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 2.8Å
192	V	25	Very low	27.6	Very low	121 Å²	121	144 Å²	144	73%	0.733	75%	0.745	S	S	*	*			trans	-62.5	95.5	170	179.7	0	0	0	0	106.8	Y190 I194	Y190-V192 VanDerWaalsContact C-N 3.34Å; Y190-V192 PolarHBondContact O-N 2.84Å; V192-I194 HydrophobicContact CG1-CG1 4Å; V192-I194 PolarHBondContact O-N 2.91Å
193	V	24.2	Very low	27.3	Very low	122 Å²	122	141.2 Å²	141.2	74%	0.739	74%	0.737	S	S	*	*			trans	-72.4	98.4	167.5	-178.3	0	0	0	0	105.8	Q191 S195	Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 2.8Å; V193-S195 PolarHBondContact O-N 3.46Å
194	I	22	Very low	26.9	Very low	148 Å²	148	143.8 Å²	143.8	76%	0.759	75%	0.753	S	S	*	*			trans	-69.8	84.6	168.5	-54.9	174.2	0	0	0	105.9	V192 S196	V192-I194 HydrophobicContact CG1-CG1 4Å; V192-I194 PolarHBondContact O-N 2.91Å; I194-S196 PolarHBondContact O-N 3.38Å
195	S	23.4	Very low	26.7	Very low	91 Å²	91	147.7 Å²	147.7	64%	0.636	77%	0.77	S	S	*	*			trans	-81.9	97.5	172.5	-158.5	0	0	0	0	107.5	V193 D197	V193-S195 PolarHBondContact O-N 3.46Å; S195-D197 VanDerWaalsContact C-N 3.28Å; S195-D197 PolarHBondContact O-N 3.26Å
196	S	24.5	Very low	26.2	Very low	103 Å²	103	148 Å²	148	72%	0.72	77%	0.771	S	S	*	*			trans	-81.6	72.9	169.7	56.4	0	0	0	0	109.3	I194	I194-S196 PolarHBondContact O-N 3.38Å
197	D	25	Very low	26.4	Very low	138 Å²	138	145 Å²	145	74%	0.738	77%	0.767	S	S	*	*			trans	-141.6	113.7	172.1	-74.4	-52.3	0	0	0	109.9	S195	S195-D197 VanDerWaalsContact C-N 3.28Å; S195-D197 PolarHBondContact O-N 3.26Å
198	M	23.5	Very low	26.5	Very low	189 Å²	189	147.6 Å²	147.6	93%	0.931	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.9	170.6	-76	-173.6	170	0	0	110.8
199	D	24.4	Very low	26.1	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-54.8	139.2	178.3	-56.1	-69.3	0	0	0	114.1
200	P	27.5	Very low	25.6	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-96.8	144	150.4	11.9	6.5	0	0	0	111	Y202	P200-Y202 PolarHBondContact O-N 2.92Å
201	P	27.2	Very low	25.4	Very low	135 Å²	135	138.6 Å²	138.6	88%	0.877	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.3	123.6	-173.3	31	-32.4	0	0	0	111.2
202	Y	27.4	Very low	25.4	Very low	231 Å²	231	138.2 Å²	138.2	91%	0.906	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91.7	129.8	-177.7	-118.4	-91.9	0	0	0	112.8	P200	P200-Y202 PolarHBondContact O-N 2.92Å
203	S	23.6	Very low	25.3	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.9	141.4	176.4	-177.6	0	0	0	0	111.9
204	M	22.3	Very low	25.4	Very low	177 Å²	177	140 Å²	140	87%	0.872	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.1	137.3	169	-73.4	-155.9	-178.6	0	0	111.1
205	D	25.8	Very low	25.5	Very low	165 Å²	165	137.7 Å²	137.7	88%	0.882	81%	0.812	S	S	*	*			trans	-149.9	147.2	154.3	-96.3	-37.9	0	0	0	111.9
206	Q	25.7	Very low	25.6	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	82%	0.818	S	S	*	*			trans	-86.5	174.9	-156.7	-94.7	-173.2	-50.6	0	0	116.2
207	P	40.7	Very low	25.8	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	83%	0.829	S	S	*	*			trans	-100.2	151	-152.9	38.3	-33.1	0	0	0	115.4
208	N	28.5	Very low	25.6	Very low	171 Å²	171	147.1 Å²	147.1	91%	0.914	83%	0.828	S	S	*	*			trans	-126.5	127.5	159.3	-64.6	-45.5	0	0	0	105.4
209	G	22	Very low	25.5	Very low	75 Å²	75	149.3 Å²	149.3	77%	0.773	83%	0.826	S	S	*	*			cis	114	121.2	35.2	0	0	0	0	0	108.4
210	A	24.9	Very low	25.5	Very low	115 Å²	115	146.9 Å²	146.9	95%	0.95	82%	0.821	S	S	*	*			trans	108.3	121.3	163.1	0	0	0	0	0	118.8
211	A	21.9	Very low	25.2	Very low	95 Å²	95	151.9 Å²	151.9	79%	0.785	83%	0.828	S	S	*	*			trans	-86.6	152.9	-174.6	0	0	0	0	0	113.6
212	I	24.6	Very low	25.1	Very low	174 Å²	174	153.1 Å²	153.1	89%	0.892	83%	0.827	S	S	*	*			trans	-140.1	122.3	153.9	-58.9	-177.3	0	0	0	109.9
213	N	21.6	Very low	25.1	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	82%	0.823	S	S	*	*			trans	-64.4	139.9	168.7	-81.6	-36.3	0	0	0	111.9
214	S	27.1	Very low	25.2	Very low	119 Å²	119	155.2 Å²	155.2	83%	0.832	83%	0.83	S	S	*	*			trans	-165.6	144.1	137.1	-168.7	0	0	0	0	112.2
215	S	24.4	Very low	25.3	Very low	101 Å²	101	157 Å²	157	71%	0.706	83%	0.829	S	S	*	*			trans	-79.4	150.1	-164.7	45.8	0	0	0	0	116.5
216	K	26.1	Very low	25.4	Very low	177 Å²	177	156.3 Å²	156.3	77%	0.77	83%	0.825	S	S	*	*			trans	30.1	130.4	140.5	-77	175.4	171.3	175.6	0	118.1
217	F	27	Very low	25.7	Very low	218 Å²	218	156.2 Å²	156.2	96%	0.956	83%	0.825	S	S	*	*				-153.8	138.2	122.7	-110.9	-80.8	0	0	0	111.7
218	L	22.2	Very low	25.7	Very low	135 Å²	135	156.7 Å²	156.7	71%	0.707	83%	0.828	S	S	*	*			trans	-86.7	138.6	-172.3	-83	94.6	0	0	0	112.6
219	W	21.6	Very low	25.7	Very low	235 Å²	235	157.1 Å²	157.1	89%	0.89	83%	0.826	S	S	*	*			trans	-1.4	119.2	143.2	-52.3	68.9	0	0	0	115.9
220	S	24.1	Very low	25.9	Very low	107 Å²	107	162.6 Å²	162.6	75%	0.748	83%	0.832	S	S	*	*			trans	-135.6	104.5	150.7	-158.1	0	0	0	0	109.2	N222	S220-N222 PolarHBondContact O-N 3.01Å
221	Y	20.6	Very low	26	Very low	208 Å²	208	165 Å²	165	82%	0.816	82%	0.823	S	S	*	*			trans	-47.4	127.3	154.9	-115	-109.3	0	0	0	108.4
222	N	25.9	Very low	26.2	Very low	160 Å²	160	167 Å²	167	86%	0.856	82%	0.821	S	S	*	*			trans	-147.1	125.6	150.5	-99.7	-25.3	0	0	0	110.5	S220	S220-N222 PolarHBondContact O-N 3.01Å
223	R	25.6	Very low	26.2	Very low	215 Å²	215	165.4 Å²	165.4	81%	0.811	82%	0.819	S	S	*	*			trans	-86.5	130.9	178.2	-171.8	-170.6	-152.4	-179.4	4	106
224	D	27.3	Very low	26.4	Very low	162 Å²	162	165.5 Å²	165.5	87%	0.866	81%	0.814	S	S	*	*			trans	-168.6	123.7	134.9	-98.8	-22.8	0	0	0	109.9
225	Y	24.2	Very low	26.4	Very low	213 Å²	213	168.5 Å²	168.5	84%	0.835	81%	0.813	S	S	*	*			trans	-70.1	132.3	167.7	-92.7	-110.3	0	0	0	107.9
226	D	27.4	Very low	26.5	Very low	151 Å²	151	171.2 Å²	171.2	81%	0.807	81%	0.812	S	S	*	*				178	137.9	124.5	-95	-28.4	0	0	0	113.6
227	Q	31.8	Very low	26.6	Very low	183 Å²	183	170.8 Å²	170.8	86%	0.855	81%	0.813	S	S	*	*			trans	94.3	130.8	155.9	-70.2	-178.7	-9	0	0	121.8
228	P	41.9	Very low	26.6	Very low	116 Å²	116	166.1 Å²	166.1	75%	0.753	80%	0.798	S	S	*	*			trans	-96.4	143	-179.2	38.1	-30.5	0	0	0	111.9
229	M	27	Very low	27	Very low	180 Å²	180	167 Å²	167	89%	0.887	80%	0.801	S	S	*	*			trans	-140	111	150.6	-81.3	-159.4	85.6	0	0	108.8
230	E	27.5	Very low	27.5	Very low	190 Å²	190	165.5 Å²	165.5	89%	0.888	80%	0.797	S	S	*	*			trans	-66	118.4	157.6	-70.5	173.8	142.1	0	0	108.4
231	E	26.3	Very low	28.2	Very low	166 Å²	166	165.9 Å²	165.9	78%	0.776	79%	0.794	S	S	*	*			trans	-172	131.4	140.4	-116.3	179.5	154.8	0	0	111.7
232	N	26	Very low	29.4	Very low	137 Å²	137	162.3 Å²	162.3	73%	0.733	79%	0.79	S	S	*	*			trans	63.4	80.7	163.5	-67.7	-48.8	0	0	0	117.6	Q234	N232-Q234 PolarHBondContact O-N 3.38Å
233	V	25.4	Very low	30.3	Very low	140 Å²	140	160.9 Å²	160.9	85%	0.848	78%	0.782	S	S	*	*			trans	-68.6	75.4	156.7	-174.8	0	0	0	0	108.7	F235	V233-F235 PolarHBondContact O-N 2.8Å
234	Q	25	Very low	31.2	Very low	163 Å²	163	159 Å²	159	76%	0.762	78%	0.782	S	S	*	*			trans	-74.2	106.1	162.6	-168.2	164.1	-15.7	0	0	106.2	N232 K236	N232-Q234 PolarHBondContact O-N 3.38Å; Q234-K236 PolarHBondContact O-N 2.03Å
235	F	26.6	Very low	32.6	Very low	181 Å²	181	159.8 Å²	159.8	79%	0.794	78%	0.781	S	S	*	*			trans	-61.6	75	-174.6	-145	-91.4	0	0	0	110.7	V233 Q237	V233-F235 PolarHBondContact O-N 2.8Å; F235-Q237 PolarHBondContact O-N 2.76Å; F235-Q237 VanDerWaalsContact O-N 3.14Å
236	K	26.8	Very low	34.3	Very low	159 Å²	159	159.5 Å²	159.5	69%	0.691	78%	0.784	S	S	*	*			trans	-71.2	107.8	166.7	-76.8	-173.9	177	179.9	0	105.9	Q234 N238	Q234-K236 PolarHBondContact O-N 2.03Å; K236-N238 PolarHBondContact O-N 2.87Å
237	Q	28.1	Very low	36.1	Very low	168 Å²	168	158.5 Å²	158.5	79%	0.785	77%	0.772	S	S	*	*			trans	-56.7	80.9	159.5	-76.3	175.2	-28.5	0	0	107.7	F235 I239	F235-Q237 PolarHBondContact O-N 2.76Å; F235-Q237 VanDerWaalsContact O-N 3.14Å; Q237-I239 PolarHBondContact O-N 3.36Å
238	N	28.1	Very low	38.3	Very low	120 Å²	120	155.6 Å²	155.6	64%	0.642	76%	0.759	S	S	*	*			trans	-70.7	94.2	165.6	-73.2	-14.7	0	0	0	104.8	K236 Y240	K236-N238 PolarHBondContact O-N 2.87Å; N238-Y240 PolarHBondContact O-N 2.87Å
239	I	30.8	Very low	40.4	Very low	153 Å²	153	158.1 Å²	158.1	79%	0.785	76%	0.76	S	S	*	*			trans	-52.7	94.3	159.7	-61.9	169.2	0	0	0	104.7	Q237 V241	Q237-I239 PolarHBondContact O-N 3.36Å; I239-V241 PolarHBondContact O-N 3.24Å
240	Y	31.4	Very low	43.3	Very low	204 Å²	204	151.5 Å²	151.5	80%	0.8	73%	0.734	S	S	*	*			trans	-64.7	105.7	174.4	-111.1	-90.1	0	0	0	106	N238 D242	N238-Y240 PolarHBondContact O-N 2.87Å; Y240-D242 PolarHBondContact O-N 3.42Å
241	V	38.3	Very low	46.2	Very low	114 Å²	114	149 Å²	149	69%	0.691	72%	0.717	S	S	*	*			trans	-56.4	123.8	167.3	178.1	0	0	0	0	106.3	I239 N243	I239-V241 PolarHBondContact O-N 3.24Å; V241-N243 VanDerWaalsContact C-N 3.29Å; V241-N243 PolarHBondContact O-N 2.87Å
242	D	45.1	Very low	49.2	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	71%	0.705	S	S	*	*			trans	-47	85.8	178	-175.9	19.7	0	0	0	111.2	Y240 Q244	Y240-D242 PolarHBondContact O-N 3.42Å; D242-Q244 PolarHBondContact O-N 3.34Å
243	N	45.1	Very low	52.3	Low	130 Å²	130	140.5 Å²	140.5	70%	0.695	68%	0.683	S	S	*	*			trans	-68.3	97.1	163.1	-87.1	-20.3	0	0	0	104.6	V241 Q245	V241-N243 VanDerWaalsContact C-N 3.29Å; V241-N243 PolarHBondContact O-N 2.87Å; N243-Q245 PolarHBondContact O-N 3.08Å
244	Q	46.2	Very low	55.4	Low	175 Å²	175	141.9 Å²	141.9	82%	0.818	67%	0.674	S	S	*	*			trans	-30.6	73.4	174.1	-62.7	-176	-27.7	0	0	113.1	D242 K246	D242-Q244 PolarHBondContact O-N 3.34Å; Q244-K246 PolarHBondContact O-N 2.85Å
245	Q	55.3	Low	58.6	Low	179 Å²	179	137 Å²	137	84%	0.836	65%	0.651	S	S	*	*			trans	-62.2	110.9	165.2	-81.1	-179.4	-19.6	0	0	102	N243 K247	N243-Q245 PolarHBondContact O-N 3.08Å; Q245-K247 PolarHBondContact O-N 2.87Å
246	K	59.8	Low	61.5	Low	207 Å²	207	130.2 Å²	130.2	90%	0.9	63%	0.626	S	S	*	*			trans	-55.1	95.7	173	-81.5	-176.5	175.5	-175.9	0	106.1	Q244 E248	Q244-K246 PolarHBondContact O-N 2.85Å; K246-E248 PolarHBondContact O-N 3.18Å
247	K	66	Low	64.2	Low	130 Å²	130	128.1 Å²	128.1	57%	0.565	63%	0.628	S	S	*	*			trans	-59	112.5	175.5	-175.4	-178.3	176.7	-172.2	0	104.3	Q245 E249	Q245-K247 PolarHBondContact O-N 2.87Å; K247-E249 PolarHBondContact O-N 2.99Å
248	E	78.1	Confident	66.4	Low	121 Å²	121	123.1 Å²	123.1	57%	0.565	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-56	131.9	169.6	-171.1	172.1	172.2	0	0	106.4	K246 C432	K246-E248 PolarHBondContact O-N 3.18Å; E248-C432 WeakPolarHBondContact O-CB 3.27Å
249	E	86.3	Confident	68.7	Low	169 Å²	169	127.3 Å²	127.3	79%	0.79	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-73.9	159.8	178.3	-67.2	178	176.7	0	0	109.2	K247 R251 G433	K247-E249 PolarHBondContact O-N 2.99Å; E249-R251 PolarHBondContact O-N 2.58Å; E249-G433 PolarHBondContact O-N 3.3Å; E249-G433 VanDerWaalsContact O-N 3.14Å
250	A	86.4	Confident	71.1	Confident	41 Å²	41	121.7 Å²	121.7	34%	0.339	59%	0.585	S	S	.	*	B	Isolated β-bridge	trans	-57.9	125.9	169.3	0	0	0	0	0	109.1	P252 F429	A250-P252 WeakPolarHBondContact O-CD 3.34Å; A250-F429 HydrophobicContact CB-CE1 4.36Å; A250-F429 HydrophobicContact CB-CZ 4.16Å
251	R	88.9	Confident	73.9	Confident	137 Å²	137	113 Å²	113	52%	0.517	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-60.1	127.2	173.3	179.7	-175.4	162.2	124.8	-5.8	107.3	E249 V253 G433 G434 D436 R438	E249-R251 PolarHBondContact O-N 2.58Å; R251-V253 PolarHBondContact O-N 3.35Å; R251-G433 WeakPolarHBondContact CB-O 3.06Å; R251-G433 PolarHBondContact N-O 3.07Å; R251-G434 WeakPolarHBondContact CD-O 3.28Å; R251-D436 IonicContact NH2-OD2 3.81Å; R251-R438 PolarHBondContact O-NH2 3.06Å
252	P	89.4	Confident	76.5	Confident	81 Å²	81	111.5 Å²	111.5	53%	0.526	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-57.7	130.3	174.3	-23	33	0	0	0	109.8	A250 Y254	A250-P252 WeakPolarHBondContact O-CD 3.34Å; P252-Y254 HydrophobicContact CB-CE2 3.88Å
253	V	91.4	Very high	78.8	Confident	45 Å²	45	105.5 Å²	105.5	27%	0.273	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-86.5	127.1	178.8	176.8	0	0	0	0	108.7	R251 H255 D436 R438	R251-V253 PolarHBondContact O-N 3.35Å; V253-H255 WeakPolarHBondContact CG1-NE2 3.16Å; V253-D436 HydrophobicContact CG1-CB 4.36Å; V253-R438 HydrophobicContact CG2-CB 4.32Å
254	Y	91.2	Very high	81.1	Confident	168 Å²	168	104.7 Å²	104.7	66%	0.659	50%	0.502	S	S	*	.			trans	-114.1	111.6	172.5	-67.4	-85.1	0	0	0	109.7	P252 D436	P252-Y254 HydrophobicContact CB-CE2 3.88Å; Y254-D436 PolarHBondContact N-OD1 2.88Å
255	H	90.6	Very high	83.1	Confident	61 Å²	61	99.4 Å²	99.4	28%	0.282	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-91.1	134.2	169.8	-56.9	136.8	0	0	0	109.4	V253 D436 R438 F439	V253-H255 WeakPolarHBondContact CG1-NE2 3.16Å; H255-D436 PolarHBondContact CD2-O 2.86Å; H255-D436 PolarHBondContact NE2-O 3.31Å; H255-R438 PolarHBondContact NE2-O 3.41Å; H255-F439 AromaticContact CD2-CE1 3.51Å; H255-F439 AromaticContact CD2-CZ 3.65Å; H255-F439 AromaticContact CE1-CD1 3.39Å; H255-F439 WeakPolarHBondContact CE1-CD1 3.36Å; H255-F439 AromaticContact CE1-CE1 3.24Å; H255-F439 WeakPolarHBondContact CE1-CE1 3.49Å; H255-F439 AromaticContact CG-CE1 3.79Å; H255-F439 AromaticContact ND1-CE1 3.67Å; H255-F439 AromaticContact NE2-CD1 3.58Å; H255-F439 AromaticContact NE2-CE1 3.12Å; H255-F439 WeakPolarHBondContact NE2-CE1 3.41Å; H255-F439 AromaticContact NE2-CZ 3.41Å; H255-F439 WeakPolarHBondContact NE2-CZ 3.47Å
256	S	88.3	Confident	84.8	Confident	39 Å²	39	95.9 Å²	95.9	27%	0.273	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60	157	172.6	59.7	0	0	0	0	110.6	V258 E396 H448	S256-V258 PolarHBondContact O-N 3.3Å; S256-E396 WeakPolarHBondContact CB-OE1 3.3Å; S256-E396 PolarHBondContact N-OE1 3.05Å; S256-E396 PolarHBondContact OG-OE1 2.82Å; S256-H448 PolarHBondContact O-CE1 3.31Å
257	P	84.4	Confident	86.4	Confident	114 Å²	114	91.1 Å²	91.1	74%	0.74	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-58.7	128.8	170.7	-24.9	34.9	0	0	0	110.4	R259	P257-R259 PolarHBondContact O-N 2.81Å; P257-R259 VanDerWaalsContact O-N 3.13Å
258	V	72.7	Confident	87.6	Confident	63 Å²	63	89.1 Å²	89.1	38%	0.382	46%	0.464	S	S	.	.			trans	-54.2	112	175.5	-178.5	0	0	0	0	109.8	S256 W260	S256-V258 PolarHBondContact O-N 3.3Å; V258-W260 VanDerWaalsContact C-N 3.29Å; V258-W260 HydrophobicContact CG1-CB 4.16Å; V258-W260 HydrophobicContact CG1-CG 3.71Å; V258-W260 PolarHBondContact O-N 3.48Å
259	R	76.3	Confident	88.3	Confident	209 Å²	209	84.9 Å²	84.9	79%	0.789	45%	0.453	S	S	*	.			trans	-90.2	23.9	-175.8	-73.4	-163.7	-74.6	-132.6	-2.9	114.6	P257	P257-R259 PolarHBondContact O-N 2.81Å; P257-R259 VanDerWaalsContact O-N 3.13Å
260	W	82.1	Confident	88.6	Confident	35 Å²	35	82.3 Å²	82.3	13%	0.133	44%	0.441	C	S	.	.			trans	-84.8	157.1	-171.7	-52.5	135.3	0	0	0	113.5	V258 I262 R319 S447 H448 S450	V258-W260 VanDerWaalsContact C-N 3.29Å; V258-W260 HydrophobicContact CG1-CB 4.16Å; V258-W260 HydrophobicContact CG1-CG 3.71Å; V258-W260 PolarHBondContact O-N 3.48Å; W260-I262 PolarHBondContact O-N 3.48Å; W260-R319 VanDerWaalsContact CD2-NH1 3.32Å; W260-S447 PolarHBondContact NE1-O 3.13Å; W260-H448 VanDerWaalsContact CZ2-O 3.31Å; W260-H448 WeakPolarHBondContact CZ2-O 3.15Å; W260-H448 PolarHBondContact NE1-O 3.22Å; W260-S450 WeakPolarHBondContact CH2-O 2.9Å; W260-S450 VanDerWaalsContact CZ2-O 3.27Å; W260-S450 WeakPolarHBondContact CZ2-O 3.43Å
261	A	89.1	Confident	89	Confident	21 Å²	21	81 Å²	81	17%	0.174	43%	0.429	C	S	.	.			trans	-68.6	125.3	-173.8	0	0	0	0	0	110.9	E323 V327	A261-E323 HydrophobicContact CB-CG 4.42Å; A261-V327 HydrophobicContact CB-CB 4.46Å; A261-V327 HydrophobicContact CB-CG1 3.87Å
262	I	93.3	Very high	89.2	Confident	83 Å²	83	83.8 Å²	83.8	43%	0.426	44%	0.439	S	S	.	.			trans	-111.9	130.1	172.8	-61.4	170.9	0	0	0	107.9	W260 Q264 R300	W260-I262 PolarHBondContact O-N 3.48Å; I262-Q264 PolarHBondContact O-N 2.87Å; I262-Q264 PolarHBondContact O-NE2 3.21Å; I262-R300 HydrophobicContact CG1-CB 4.21Å
263	R	94.7	Very high	89.5	Confident	7 Å²	7	82.9 Å²	82.9	3%	0.026	43%	0.428	C	S	.	.			trans	-70.1	119.4	173.8	-171.2	174.1	-178.5	81.3	-7.2	110.1	I265 N268 G269 Q270 Y294 G299 C326 V327 D329	R263-I265 PolarHBondContact O-N 3.01Å; R263-N268 PolarHBondContact NH2-O 2.85Å; R263-G269 PolarHBondContact NE-O 2.94Å; R263-G269 PolarHBondContact NH2-O 3.01Å; R263-Q270 PolarHBondContact NH2-O 3.37Å; R263-Y294 HydrophobicContact CB-CE2 4.48Å; R263-Y294 VanDerWaalsContact CB-OH 3.28Å; R263-Y294 WeakPolarHBondContact CB-OH 3.06Å; R263-Y294 WeakPolarHBondContact CD-OH 3.1Å; R263-G299 WeakPolarHBondContact CB-O 3.41Å; R263-G299 PolarHBondContact N-O 2.91Å; R263-C326 WeakPolarHBondContact CD-O 3.43Å; R263-V327 HydrophobicContact CB-CB 4.43Å; R263-V327 HydrophobicContact CB-CG1 4.09Å; R263-V327 HydrophobicContact CB-CG2 4.39Å; R263-V327 PolarHBondContact NH1-O 3.43Å; R263-D329 IonicContact CZ-OD1 3.18Å; R263-D329 IonicContact CZ-OD2 2.64Å; R263-D329 VanDerWaalsContact NH1-CG 3.32Å; R263-D329 IonicContact NH1-OD1 2.8Å; R263-D329 IonicContact NH1-OD2 3.57Å; R263-D329 PolarHBondContact NH1-OD2 3.29Å; R263-D329 IonicContact NH2-OD1 2.68Å; R263-D329 IonicContact NH2-OD2 3.83Å; R263-D329 PolarHBondContact NH2-OD2 3.29Å
264	Q	91.7	Very high	89.6	Confident	113 Å²	113	84.9 Å²	84.9	53%	0.528	44%	0.436	S	S	.	.			trans	-78	87	172.6	-59	-57.3	-53.6	0	0	109.3	I262 A266 T267 N268	I262-Q264 PolarHBondContact O-N 2.87Å; I262-Q264 PolarHBondContact O-NE2 3.21Å; Q264-A266 PolarHBondContact O-N 3.46Å; Q264-T267 WeakPolarHBondContact CB-OG1 3.4Å; Q264-T267 PolarHBondContact O-N 3.44Å; Q264-T267 PolarHBondContact O-OG1 2.84Å; Q264-T267 VanDerWaalsContact O-OG1 3.13Å; Q264-N268 PolarHBondContact O-N 3.5Å
265	I	88.7	Confident	89.8	Confident	64 Å²	64	76.9 Å²	76.9	33%	0.328	41%	0.405	S	S	.	.	H	α-helix	trans	-57.8	-34.9	-176.4	-62.4	173.4	0	0	0	111.6	R263 T267 G269	R263-I265 PolarHBondContact O-N 3.01Å; I265-T267 PolarHBondContact O-N 3.12Å; I265-G269 WeakPolarHBondContact O-CA 3.4Å; I265-G269 PolarHBondContact O-N 2.83Å
266	A	91.4	Very high	90.1	Very high	105 Å²	105	74 Å²	74	87%	0.868	39%	0.391	S	S	*	.	H	α-helix	trans	-60.9	-32.4	178.5	0	0	0	0	0	113.3	Q264	Q264-A266 PolarHBondContact O-N 3.46Å
267	T	92.4	Very high	90.5	Very high	108 Å²	108	76 Å²	76	66%	0.663	41%	0.406	S	S	*	.	H	α-helix	trans	-102	-39.7	-177.7	57.5	0	0	0	0	112.5	Q264 I265	Q264-T267 WeakPolarHBondContact CB-OG1 3.4Å; Q264-T267 PolarHBondContact O-N 3.44Å; Q264-T267 PolarHBondContact O-OG1 2.84Å; Q264-T267 VanDerWaalsContact O-OG1 3.13Å; I265-T267 PolarHBondContact O-N 3.12Å
268	N	91.2	Very high	91.1	Very high	88 Å²	88	72.4 Å²	72.4	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-99.1	-12.9	-172.2	-63.4	24	0	0	0	112.4	R263 Q264	R263-N268 PolarHBondContact NH2-O 2.85Å; Q264-N268 PolarHBondContact O-N 3.5Å
269	G	92.8	Very high	92.2	Very high	31 Å²	31	74 Å²	74	32%	0.32	39%	0.391	S	S	.	.			trans	73.4	-166.6	-172.4	0	0	0	0	0	112.7	R263 I265	R263-G269 PolarHBondContact NE-O 2.94Å; R263-G269 PolarHBondContact NH2-O 3.01Å; I265-G269 WeakPolarHBondContact O-CA 3.4Å; I265-G269 PolarHBondContact O-N 2.83Å
270	Q	93.6	Very high	93.1	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	37%	0.369	S	S	.	.	S	Bend	trans	-69.4	154.7	173.9	-67.1	-62.6	-24	0	0	111.2	R263	R263-Q270 PolarHBondContact NH2-O 3.37Å
271	P	94.3	Very high	93.8	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.091	38%	0.38	C	S	.	.			trans	-55.7	138.7	173.8	-23.7	32.8	0	0	0	111.7	C276 Y294	P271-C276 HydrophobicContact CB-CB 3.43Å; P271-C276 VanDerWaalsContact CB-CB 3.43Å; P271-C276 HydrophobicContact CG-CB 3.91Å; P271-Y294 HydrophobicContact CG-CD1 4.18Å; P271-Y294 HydrophobicContact CG-CE1 3.46Å; P271-Y294 VanDerWaalsContact CG-CE1 3.46Å
272	R	93.7	Very high	93.8	Very high	195 Å²	195	73.3 Å²	73.3	74%	0.736	39%	0.393	S	S	*	.	S	Bend	trans	-75.7	-31.1	-178	-66.1	-179.9	-176.3	178.3	1	113.3	D329	R272-D329 HydrophobicContact CG-CB 4.48Å; R272-D329 WeakPolarHBondContact CG-OD1 3.48Å; R272-D329 PolarHBondContact N-OD1 2.74Å
273	H	94.9	Very high	93.7	Very high	62 Å²	62	70 Å²	70	29%	0.287	38%	0.379	S	S	.	.	S	Bend	trans	-81.8	128.4	-175.8	-166.5	-77.9	0	0	0	110.9	A275 C276 L325	H273-A275 WeakPolarHBondContact ND1-CB 3.48Å; H273-A275 PolarHBondContact ND1-N 3.38Å; H273-A275 VanDerWaalsContact ND1-N 3.15Å; H273-A275 PolarHBondContact O-N 3.11Å; H273-A275 VanDerWaalsContact O-N 3.11Å; H273-C276 WeakPolarHBondContact O-CB 3.48Å; H273-C276 PolarHBondContact O-N 3.39Å; H273-L325 HydrophobicContact CB-CD1 4.09Å; H273-L325 HydrophobicContact CB-CD2 4.1Å; H273-L325 HydrophobicContact CB-CG 3.9Å
274	I	94	Very high	93	Very high	86 Å²	86	74.3 Å²	74.3	44%	0.441	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24	-173.7	67	172.4	0	0	0	114.2	C276 S277 Q278 E366	I274-C276 VanDerWaalsContact C-N 3.28Å; I274-C276 PolarHBondContact O-N 3.12Å; I274-S277 PolarHBondContact O-N 2.73Å; I274-S277 PolarHBondContact O-OG 2.03Å; I274-Q278 WeakPolarHBondContact O-CG 3.17Å; I274-Q278 PolarHBondContact O-NE2 3.17Å; I274-E366 HydrophobicContact CD1-CB 3.68Å
275	A	96.1	Very high	92.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-59.7	-40.9	172.5	0	0	0	0	0	111.7	H273 S277 Q278 A313 N314 F316 P371	H273-A275 WeakPolarHBondContact ND1-CB 3.48Å; H273-A275 PolarHBondContact ND1-N 3.38Å; H273-A275 VanDerWaalsContact ND1-N 3.15Å; H273-A275 PolarHBondContact O-N 3.11Å; H273-A275 VanDerWaalsContact O-N 3.11Å; A275-S277 PolarHBondContact O-N 2.87Å; A275-Q278 PolarHBondContact O-N 3.39Å; A275-A313 HydrophobicContact CB-CB 3.76Å; A275-A313 WeakPolarHBondContact CB-O 3.39Å; A275-N314 WeakPolarHBondContact O-CB 3.43Å; A275-F316 HydrophobicContact CB-CZ 4.45Å; A275-P371 HydrophobicContact CB-CG 3.62Å
276	C	97.2	Very high	92.3	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-72.1	-17.6	-173	-52.7	0	0	0	0	112.9	P271 H273 I274 Y294 C326	P271-C276 HydrophobicContact CB-CB 3.43Å; P271-C276 VanDerWaalsContact CB-CB 3.43Å; P271-C276 HydrophobicContact CG-CB 3.91Å; H273-C276 WeakPolarHBondContact O-CB 3.48Å; H273-C276 PolarHBondContact O-N 3.39Å; I274-C276 VanDerWaalsContact C-N 3.28Å; I274-C276 PolarHBondContact O-N 3.12Å; C276-Y294 HydrophobicContact CB-CD1 4.16Å; C276-Y294 HydrophobicContact CB-CG 4.36Å; C276-Y294 WeakPolarHBondContact O-CD1 3.4Å; C276-C326 HydrophobicContact CB-CB 3.62Å; C276-C326 WeakPolarHBondContact CB-SG 3.47Å; C276-C326 WeakPolarHBondContact SG-CA 3.33Å; C276-C326 WeakPolarHBondContact SG-CB 3.48Å; C276-C326 CovalentContact SG-SG 2.03Å; C276-C326 PolarHBondContact SG-SG 2.99Å
277	S	96	Very high	91.6	Very high	82 Å²	82	67.3 Å²	67.3	57%	0.573	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-89.2	-4.7	176.4	53.5	0	0	0	0	113.7	I274 A275	I274-S277 PolarHBondContact O-N 2.73Å; I274-S277 PolarHBondContact O-OG 2.03Å; A275-S277 PolarHBondContact O-N 2.87Å
278	Q	96.2	Very high	91	Very high	38 Å²	38	68.2 Å²	68.2	18%	0.178	37%	0.367	C	S	.	.	S	Bend	trans	-86.8	151.3	-176.1	-69.2	-178.5	61.7	0	0	111.8	I274 A275 N312 N314 A367	I274-Q278 WeakPolarHBondContact O-CG 3.17Å; I274-Q278 PolarHBondContact O-NE2 3.17Å; A275-Q278 PolarHBondContact O-N 3.39Å; Q278-N312 VanDerWaalsContact OE1-CB 3.29Å; Q278-N314 HydrophobicContact CB-CB 4.05Å; Q278-N314 PolarHBondContact O-ND2 3.48Å; Q278-A367 PolarHBondContact NE2-O 2.89Å; Q278-A367 VanDerWaalsContact NE2-O 3.14Å; Q278-A367 PolarHBondContact OE1-O 2.9Å
279	P	96.5	Very high	90.4	Very high	97 Å²	97	67.4 Å²	67.4	63%	0.63	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-69.4	164.3	179.5	29.9	-35.9	0	0	0	111.8	D281 N312	P279-D281 PolarHBondContact O-N 2.84Å; P279-N312 PolarHBondContact O-ND2 3.26Å
280	L	96	Very high	89.9	Confident	64 Å²	64	67.2 Å²	67.2	34%	0.335	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-58.5	124.6	166.8	171	61.3	0	0	0	110.1	R282 Y293 F304	L280-R282 HydrophobicContact CD1-CG 4.49Å; L280-Y293 HydrophobicContact CB-CD2 3.85Å; L280-Y293 HydrophobicContact CB-CE1 4.49Å; L280-Y293 HydrophobicContact CB-CE2 3.72Å; L280-Y293 HydrophobicContact CB-CG 4.31Å; L280-Y293 HydrophobicContact CD1-CD1 3.75Å; L280-Y293 HydrophobicContact CD1-CD2 4.31Å; L280-Y293 HydrophobicContact CD1-CE1 4.02Å; L280-Y293 HydrophobicContact CD1-CG 3.88Å; L280-Y293 HydrophobicContact CD2-CE1 4.05Å; L280-Y293 HydrophobicContact CG-CE1 4.41Å; L280-Y293 HydrophobicContact CG-CE2 4.48Å; L280-F304 HydrophobicContact CD1-CB 3.95Å; L280-F304 HydrophobicContact CD1-CD1 3.84Å; L280-F304 HydrophobicContact CD1-CD2 3.53Å; L280-F304 HydrophobicContact CD1-CE1 4.13Å; L280-F304 HydrophobicContact CD1-CE2 3.84Å; L280-F304 HydrophobicContact CD1-CG 3.49Å; L280-F304 VanDerWaalsContact CD1-CG 3.49Å; L280-F304 HydrophobicContact CD1-CZ 4.11Å
281	D	95.4	Very high	89.6	Confident	67 Å²	67	61.8 Å²	61.8	36%	0.358	33%	0.331	S	S	.	.			trans	-127.1	113.7	168.3	-171.8	-12	0	0	0	110.1	P279 G283 G311 N312	P279-D281 PolarHBondContact O-N 2.84Å; D281-G283 PolarHBondContact O-N 2.85Å; D281-G283 PolarHBondContact OD1-N 3.42Å; D281-G311 VanDerWaalsContact CG-CA 3.48Å; D281-G311 VanDerWaalsContact OD2-CA 3.3Å; D281-G311 WeakPolarHBondContact OD2-CA 3.34Å; D281-N312 HydrophobicContact CB-CB 4.41Å; D281-N312 WeakPolarHBondContact CB-ND2 3.39Å
282	R	90.7	Very high	89.5	Confident	120 Å²	120	61.5 Å²	61.5	45%	0.453	33%	0.328	S	S	.	.			trans	-72	-15.1	179.8	-69	-173.9	173.6	-97.9	6.2	112.8	L280 F304 G305 Y306 R307	L280-R282 HydrophobicContact CD1-CG 4.49Å; R282-F304 HydrophobicContact CG-CD2 4.12Å; R282-G305 PolarHBondContact NH1-O 3.27Å; R282-Y306 VanDerWaalsContact O-CD2 3.3Å; R282-Y306 WeakPolarHBondContact O-CD2 3.32Å; R282-R307 HydrophobicContact CB-CG 4.32Å; R282-R307 WeakPolarHBondContact O-CB 3.36Å; R282-R307 WeakPolarHBondContact O-CG 3.32Å; R282-R307 PolarHBondContact O-N 3Å
283	G	89.9	Confident	89.6	Confident	12 Å²	12	53.6 Å²	53.6	12%	0.124	30%	0.299	C	S	.	.			trans	66.7	-164.1	-171.6	0	0	0	0	0	112.7	D281 R307 Y309	D281-G283 PolarHBondContact O-N 2.85Å; D281-G283 PolarHBondContact OD1-N 3.42Å; G283-R307 VanDerWaalsContact O-CD 3.29Å; G283-R307 WeakPolarHBondContact O-CD 3.04Å; G283-Y309 CarbonylContact C-O 3.51Å; G283-Y309 WeakPolarHBondContact CA-O 3.15Å
284	V	80.8	Confident	89.7	Confident	99 Å²	99	50.8 Å²	50.8	60%	0.6	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-122.7	155.6	-177.9	-61.9	0	0	0	0	111	R307 Y309	V284-R307 VanDerWaalsContact C-CB 3.46Å; V284-R307 CarbonylContact O-C 3.46Å; V284-Y309 PolarHBondContact N-O 2.68Å; V284-Y309 WeakPolarHBondContact O-CB 3.37Å; V284-Y309 WeakPolarHBondContact O-CD2 3.23Å; V284-Y309 PolarHBondContact O-N 3.44Å; V284-Y309 VanDerWaalsContact O-N 3.07Å
285	G	85.8	Confident	89.8	Confident	33 Å²	33	47.4 Å²	47.4	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	125.9	-176	-179.4	0	0	0	0	0	113.4	R307	G285-R307 CarbonylContact C-O 3.58Å; G285-R307 WeakPolarHBondContact CA-O 3.48Å; G285-R307 PolarHBondContact O-NE 3.45Å
286	S	78.9	Confident	89.7	Confident	60 Å²	60	50 Å²	50	42%	0.42	29%	0.286	S	S	.	.	S	Bend	trans	-108.8	5.3	-176.2	56	0	0	0	0	113.6
287	N	78.3	Confident	89.5	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.219	32%	0.323	C	S	.	.			trans	-85.1	163.8	177.9	-60	-45.3	0	0	0	111	L289 R307	N287-L289 HydrophobicContact CB-CD2 4.5Å; N287-L289 HydrophobicContact CB-CG 4.13Å; N287-R307 PolarHBondContact N-O 3.19Å; N287-R307 WeakPolarHBondContact O-CA 3Å
288	E	78.9	Confident	89.2	Confident	127 Å²	127	55.1 Å²	55.1	59%	0.593	31%	0.307	S	S	*	.			trans	-136	74	169.7	-167.9	175.9	176.5	0	0	108.5
289	L	79.8	Confident	89.1	Confident	72 Å²	72	53.4 Å²	53.4	38%	0.377	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.3	-178.6	-57.7	177.3	0	0	0	109.3	N287 S291 Y306	N287-L289 HydrophobicContact CB-CD2 4.5Å; N287-L289 HydrophobicContact CB-CG 4.13Å; L289-S291 PolarHBondContact O-N 2.06Å; L289-S291 PolarHBondContact O-OG 3.39Å; L289-Y306 HydrophobicContact CB-CD1 4.41Å; L289-Y306 HydrophobicContact CD1-CD1 4.1Å; L289-Y306 PolarHBondContact N-O 3.41Å; L289-Y306 PolarHBondContact O-N 2.58Å
290	S	82.1	Confident	89	Confident	26 Å²	26	51.8 Å²	51.8	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	121.3	175	-77.7	0	0	0	0	110.1	W303	S290-W303 PolarHBondContact OG-NE1 3.2Å; S290-W303 VanDerWaalsContact OG-NE1 3.16Å
291	S	86.6	Confident	89	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.4	-177.4	-70.2	0	0	0	0	110.3	L289 W303 F304 Y306	L289-S291 PolarHBondContact O-N 2.06Å; L289-S291 PolarHBondContact O-OG 3.39Å; S291-W303 CarbonylContact O-C 3.53Å; S291-W303 WeakPolarHBondContact O-CA 3.19Å; S291-F304 PolarHBondContact N-O 3.33Å; S291-F304 WeakPolarHBondContact O-CD1 3.28Å; S291-F304 PolarHBondContact O-N 2.84Å; S291-Y306 WeakPolarHBondContact OG-CB 3.24Å
292	W	92.2	Very high	88.9	Confident	8 Å²	8	49.1 Å²	49.1	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.7	-178.9	-64.8	85	0	0	0	110.1	R302 W303 R315 F316 S318 R319 C322 M446 S450	W292-R302 CarbonylContact C-O 3.51Å; W292-R302 VanDerWaalsContact CA-O 3.32Å; W292-R302 WeakPolarHBondContact CA-O 3.17Å; W292-W303 HydrophobicContact CD2-CB 4.39Å; W292-W303 HydrophobicContact CE3-CB 4.23Å; W292-W303 HydrophobicContact CH2-CB 4.03Å; W292-W303 HydrophobicContact CZ2-CB 4.17Å; W292-W303 HydrophobicContact CZ3-CB 4.06Å; W292-R315 CarbonylContact O-C 3.54Å; W292-R315 WeakPolarHBondContact O-CA 3.25Å; W292-F316 HydrophobicContact CB-CB 4.12Å; W292-F316 PolarHBondContact N-O 2.93Å; W292-F316 PolarHBondContact O-N 2.81Å; W292-S318 VanDerWaalsContact CD1-C 3.46Å; W292-R319 VanDerWaalsContact CD1-N 3.34Å; W292-R319 HydrophobicContact CD2-CB 3.72Å; W292-R319 HydrophobicContact CD2-CG 4.21Å; W292-R319 HydrophobicContact CE3-CB 3.92Å; W292-R319 HydrophobicContact CE3-CG 3.88Å; W292-R319 HydrophobicContact CG-CB 4.29Å; W292-R319 HydrophobicContact CH2-CB 4.05Å; W292-R319 HydrophobicContact CH2-CG 4.06Å; W292-R319 HydrophobicContact CZ2-CB 3.86Å; W292-R319 HydrophobicContact CZ2-CG 4.38Å; W292-R319 HydrophobicContact CZ3-CB 4.08Å; W292-R319 HydrophobicContact CZ3-CG 3.8Å; W292-C322 HydrophobicContact CB-CB 4.3Å; W292-M446 HydrophobicContact CZ2-CE 4.43Å; W292-S450 WeakPolarHBondContact CZ2-OG 3.4Å
293	Y	95.7	Very high	89	Confident	29 Å²	29	43.9 Å²	43.9	11%	0.114	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.1	171.6	79.2	-75.2	0	0	0	109.1	L280 D295 C301 R302 F304 N314	L280-Y293 HydrophobicContact CB-CD2 3.85Å; L280-Y293 HydrophobicContact CB-CE1 4.49Å; L280-Y293 HydrophobicContact CB-CE2 3.72Å; L280-Y293 HydrophobicContact CB-CG 4.31Å; L280-Y293 HydrophobicContact CD1-CD1 3.75Å; L280-Y293 HydrophobicContact CD1-CD2 4.31Å; L280-Y293 HydrophobicContact CD1-CE1 4.02Å; L280-Y293 HydrophobicContact CD1-CG 3.88Å; L280-Y293 HydrophobicContact CD2-CE1 4.05Å; L280-Y293 HydrophobicContact CG-CE1 4.41Å; L280-Y293 HydrophobicContact CG-CE2 4.48Å; Y293-D295 HydrophobicContact CD2-CB 4.49Å; Y293-D295 HydrophobicContact CE2-CB 3.72Å; Y293-C301 CarbonylContact O-C 3.49Å; Y293-C301 VanDerWaalsContact O-CA 3.31Å; Y293-C301 WeakPolarHBondContact O-CA 3.29Å; Y293-R302 HydrophobicContact CD1-CB 4.16Å; Y293-R302 VanDerWaalsContact CD1-O 3.28Å; Y293-R302 WeakPolarHBondContact CD1-O 3.41Å; Y293-R302 HydrophobicContact CE1-CB 3.62Å; Y293-R302 PolarHBondContact N-O 2.9Å; Y293-R302 PolarHBondContact O-N 3.38Å; Y293-F304 HydrophobicContact CD1-CB 4.3Å; Y293-F304 AromaticContact CD1-CD1 3.66Å; Y293-F304 HydrophobicContact CD1-CD1 3.66Å; Y293-F304 HydrophobicContact CD1-CE1 4.31Å; Y293-F304 HydrophobicContact CD1-CG 4.25Å; Y293-F304 HydrophobicContact CE1-CB 4.44Å; Y293-F304 HydrophobicContact CG-CD1 4.29Å; Y293-N314 WeakPolarHBondContact CB-O 3.12Å
294	Y	97.3	Very high	89	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.8	171.7	-177.2	-98	0	0	0	110	R263 P271 C276 G299 N314 C326 V327	R263-Y294 HydrophobicContact CB-CE2 4.48Å; R263-Y294 VanDerWaalsContact CB-OH 3.28Å; R263-Y294 WeakPolarHBondContact CB-OH 3.06Å; R263-Y294 WeakPolarHBondContact CD-OH 3.1Å; P271-Y294 HydrophobicContact CG-CD1 4.18Å; P271-Y294 HydrophobicContact CG-CE1 3.46Å; P271-Y294 VanDerWaalsContact CG-CE1 3.46Å; C276-Y294 HydrophobicContact CB-CD1 4.16Å; C276-Y294 HydrophobicContact CB-CG 4.36Å; C276-Y294 WeakPolarHBondContact O-CD1 3.4Å; Y294-G299 VanDerWaalsContact CE2-C 3.49Å; Y294-G299 WeakPolarHBondContact CE2-O 3.21Å; Y294-G299 WeakPolarHBondContact OH-CA 3.18Å; Y294-G299 PolarHBondContact OH-O 2.85Å; Y294-N314 PolarHBondContact N-OD1 2.78Å; Y294-N314 PolarHBondContact O-ND2 3.23Å; Y294-C326 HydrophobicContact CD1-CB 4.34Å; Y294-C326 HydrophobicContact CD2-CB 3.34Å; Y294-C326 HydrophobicContact CE2-CB 3.91Å; Y294-C326 HydrophobicContact CG-CB 3.57Å; Y294-V327 HydrophobicContact CD2-CG2 4.32Å; Y294-V327 HydrophobicContact CE2-CG2 3.84Å
295	D	95.8	Very high	89.3	Confident	16 Å²	16	38.8 Å²	38.8	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.4	172.9	-177.9	-3.7	0	0	0	108.5	Y293 N297 D298 G299 R300 R302	Y293-D295 HydrophobicContact CD2-CB 4.49Å; Y293-D295 HydrophobicContact CE2-CB 3.72Å; D295-N297 PolarHBondContact O-N 3.41Å; D295-N297 VanDerWaalsContact OD1-CB 3.32Å; D295-N297 WeakPolarHBondContact OD1-CB 3.39Å; D295-N297 PolarHBondContact OD1-N 3.4Å; D295-N297 PolarHBondContact OD1-ND2 2.86Å; D295-D298 VanDerWaalsContact CB-OD1 3.28Å; D295-D298 WeakPolarHBondContact CB-OD1 3.11Å; D295-G299 WeakPolarHBondContact O-CA 2.98Å; D295-G299 PolarHBondContact O-N 3.26Å; D295-R300 PolarHBondContact N-O 2.89Å; D295-R300 PolarHBondContact O-N 2.91Å; D295-R302 HydrophobicContact CB-CG 4.14Å; D295-R302 WeakPolarHBondContact OD2-CD 3.38Å; D295-R302 IonicContact OD2-NH1 3.38Å; D295-R302 PolarHBondContact OD2-NH1 3.18Å
296	S	93.9	Very high	89.2	Confident	53 Å²	53	37.9 Å²	37.9	37%	0.371	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.2	-178.5	54.7	0	0	0	0	113.2
297	N	92.7	Very high	89.4	Confident	146 Å²	146	41.3 Å²	41.3	78%	0.781	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-41.4	-178.5	-56.6	-61	0	0	0	111.8	D295	D295-N297 PolarHBondContact O-N 3.41Å; D295-N297 VanDerWaalsContact OD1-CB 3.32Å; D295-N297 WeakPolarHBondContact OD1-CB 3.39Å; D295-N297 PolarHBondContact OD1-N 3.4Å; D295-N297 PolarHBondContact OD1-ND2 2.86Å
298	D	90.6	Very high	89.4	Confident	44 Å²	44	40.1 Å²	40.1	24%	0.235	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.2	177	67.8	6.2	0	0	0	112.9	D295 R300 R302	D295-D298 VanDerWaalsContact CB-OD1 3.28Å; D295-D298 WeakPolarHBondContact CB-OD1 3.11Å; D298-R300 VanDerWaalsContact C-N 3.31Å; D298-R300 HydrophobicContact CB-CG 4.25Å; D298-R300 PolarHBondContact O-N 2.86Å; D298-R300 WeakPolarHBondContact OD1-CG 3.38Å; D298-R300 PolarHBondContact OD1-N 3.31Å; D298-R300 IonicContact OD1-NE 3.03Å; D298-R300 WeakPolarHBondContact OD2-CG 3.31Å; D298-R300 IonicContact OD2-CZ 3.09Å; D298-R300 IonicContact OD2-NE 2.73Å; D298-R300 PolarHBondContact OD2-NE 2.85Å; D298-R300 IonicContact OD2-NH2 3.38Å; D298-R300 PolarHBondContact OD2-NH2 3.49Å; D298-R300 VanDerWaalsContact OD2-NH2 3.12Å; D298-R302 WeakPolarHBondContact OD2-CD 3.3Å; D298-R302 IonicContact OD2-NH1 3.56Å; D298-R302 PolarHBondContact OD2-NH1 3.35Å
299	G	94.1	Very high	89.4	Confident	2 Å²	2	40.7 Å²	40.7	2%	0.021	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	23.1	173.3	0	0	0	0	0	113.7	R263 Y294 D295	R263-G299 WeakPolarHBondContact CB-O 3.41Å; R263-G299 PolarHBondContact N-O 2.91Å; Y294-G299 VanDerWaalsContact CE2-C 3.49Å; Y294-G299 WeakPolarHBondContact CE2-O 3.21Å; Y294-G299 WeakPolarHBondContact OH-CA 3.18Å; Y294-G299 PolarHBondContact OH-O 2.85Å; D295-G299 WeakPolarHBondContact O-CA 2.98Å; D295-G299 PolarHBondContact O-N 3.26Å
300	R	93.9	Very high	89.6	Confident	63 Å²	63	39.2 Å²	39.2	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	166.3	-176.5	58.8	168.9	-173.9	-171	-0.4	113	I262 D295 D298	I262-R300 HydrophobicContact CG1-CB 4.21Å; D295-R300 PolarHBondContact N-O 2.89Å; D295-R300 PolarHBondContact O-N 2.91Å; D298-R300 VanDerWaalsContact C-N 3.31Å; D298-R300 HydrophobicContact CB-CG 4.25Å; D298-R300 PolarHBondContact O-N 2.86Å; D298-R300 WeakPolarHBondContact OD1-CG 3.38Å; D298-R300 PolarHBondContact OD1-N 3.31Å; D298-R300 IonicContact OD1-NE 3.03Å; D298-R300 WeakPolarHBondContact OD2-CG 3.31Å; D298-R300 IonicContact OD2-CZ 3.09Å; D298-R300 IonicContact OD2-NE 2.73Å; D298-R300 PolarHBondContact OD2-NE 2.85Å; D298-R300 IonicContact OD2-NH2 3.38Å; D298-R300 PolarHBondContact OD2-NH2 3.49Å; D298-R300 VanDerWaalsContact OD2-NH2 3.12Å
301	C	94.6	Very high	89.9	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.8	176.3	-65.5	0	0	0	0	111.8	Y293 C322 E323	Y293-C301 CarbonylContact O-C 3.49Å; Y293-C301 VanDerWaalsContact O-CA 3.31Å; Y293-C301 WeakPolarHBondContact O-CA 3.29Å; C301-C322 HydrophobicContact CB-CB 3.74Å; C301-C322 WeakPolarHBondContact CB-SG 3.39Å; C301-C322 WeakPolarHBondContact SG-CB 3.31Å; C301-C322 PolarHBondContact SG-O 3.32Å; C301-C322 CovalentContact SG-SG 2.03Å; C301-C322 PolarHBondContact SG-SG 2.88Å; C301-E323 HydrophobicContact CB-CG 3.98Å; C301-E323 PolarHBondContact SG-N 3.46Å; C301-E323 VanDerWaalsContact SG-N 3.39Å
302	R	93.6	Very high	90.3	Very high	74 Å²	74	39.2 Å²	39.2	28%	0.279	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.4	-177.3	-60.7	-175.3	72.2	153.2	0.2	111.5	W292 Y293 D295 D298	W292-R302 CarbonylContact C-O 3.51Å; W292-R302 VanDerWaalsContact CA-O 3.32Å; W292-R302 WeakPolarHBondContact CA-O 3.17Å; Y293-R302 HydrophobicContact CD1-CB 4.16Å; Y293-R302 VanDerWaalsContact CD1-O 3.28Å; Y293-R302 WeakPolarHBondContact CD1-O 3.41Å; Y293-R302 HydrophobicContact CE1-CB 3.62Å; Y293-R302 PolarHBondContact N-O 2.9Å; Y293-R302 PolarHBondContact O-N 3.38Å; D295-R302 HydrophobicContact CB-CG 4.14Å; D295-R302 WeakPolarHBondContact OD2-CD 3.38Å; D295-R302 IonicContact OD2-NH1 3.38Å; D295-R302 PolarHBondContact OD2-NH1 3.18Å; D298-R302 WeakPolarHBondContact OD2-CD 3.3Å; D298-R302 IonicContact OD2-NH1 3.56Å; D298-R302 PolarHBondContact OD2-NH1 3.35Å
303	W	93	Very high	90.5	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	144.4	176.3	176.6	93.8	0	0	0	111.7	S290 S291 W292 K442 S443 M446	S290-W303 PolarHBondContact OG-NE1 3.2Å; S290-W303 VanDerWaalsContact OG-NE1 3.16Å; S291-W303 CarbonylContact O-C 3.53Å; S291-W303 WeakPolarHBondContact O-CA 3.19Å; W292-W303 HydrophobicContact CD2-CB 4.39Å; W292-W303 HydrophobicContact CE3-CB 4.23Å; W292-W303 HydrophobicContact CH2-CB 4.03Å; W292-W303 HydrophobicContact CZ2-CB 4.17Å; W292-W303 HydrophobicContact CZ3-CB 4.06Å; W303-K442 HydrophobicContact CH2-CB 4.1Å; W303-K442 HydrophobicContact CH2-CD 3.71Å; W303-K442 HydrophobicContact CH2-CG 3.72Å; W303-K442 HydrophobicContact CZ2-CD 3.72Å; W303-K442 HydrophobicContact CZ2-CG 3.93Å; W303-K442 HydrophobicContact CZ3-CB 4.22Å; W303-K442 HydrophobicContact CZ3-CG 4.14Å; W303-S443 VanDerWaalsContact CE3-CA 3.48Å; W303-S443 PolarHBondContact O-OG 2.76Å; W303-M446 HydrophobicContact CB-CB 3.63Å; W303-M446 HydrophobicContact CB-CG 4.46Å; W303-M446 HydrophobicContact CD2-CB 4.01Å; W303-M446 HydrophobicContact CD2-CG 3.95Å; W303-M446 HydrophobicContact CG-CB 3.53Å; W303-M446 HydrophobicContact CG-CG 3.83Å
304	F	91	Very high	90.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.9	165.8	77.2	-74.8	0	0	0	111.5	L280 R282 S291 Y293 Y306 R315	L280-F304 HydrophobicContact CD1-CB 3.95Å; L280-F304 HydrophobicContact CD1-CD1 3.84Å; L280-F304 HydrophobicContact CD1-CD2 3.53Å; L280-F304 HydrophobicContact CD1-CE1 4.13Å; L280-F304 HydrophobicContact CD1-CE2 3.84Å; L280-F304 HydrophobicContact CD1-CG 3.49Å; L280-F304 VanDerWaalsContact CD1-CG 3.49Å; L280-F304 HydrophobicContact CD1-CZ 4.11Å; R282-F304 HydrophobicContact CG-CD2 4.12Å; S291-F304 PolarHBondContact N-O 3.33Å; S291-F304 WeakPolarHBondContact O-CD1 3.28Å; S291-F304 PolarHBondContact O-N 2.84Å; Y293-F304 HydrophobicContact CD1-CB 4.3Å; Y293-F304 AromaticContact CD1-CD1 3.66Å; Y293-F304 HydrophobicContact CD1-CD1 3.66Å; Y293-F304 HydrophobicContact CD1-CE1 4.31Å; Y293-F304 HydrophobicContact CD1-CG 4.25Å; Y293-F304 HydrophobicContact CE1-CB 4.44Å; Y293-F304 HydrophobicContact CG-CD1 4.29Å; F304-Y306 HydrophobicContact CE2-CD2 4.31Å; F304-R315 HydrophobicContact CE1-CG 4.42Å; F304-R315 HydrophobicContact CZ-CB 4.36Å; F304-R315 HydrophobicContact CZ-CG 3.98Å
305	G	85.8	Confident	90.4	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.2	169.3	0	0	0	0	0	111.2	R282	R282-G305 PolarHBondContact NH1-O 3.27Å
306	Y	84.5	Confident	90.2	Very high	15 Å²	15	37 Å²	37	6%	0.059	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.3	174.6	172.8	-118.2	0	0	0	111	R282 L289 S291 F304 G308 Y309 G310	R282-Y306 VanDerWaalsContact O-CD2 3.3Å; R282-Y306 WeakPolarHBondContact O-CD2 3.32Å; L289-Y306 HydrophobicContact CB-CD1 4.41Å; L289-Y306 HydrophobicContact CD1-CD1 4.1Å; L289-Y306 PolarHBondContact N-O 3.41Å; L289-Y306 PolarHBondContact O-N 2.58Å; S291-Y306 WeakPolarHBondContact OG-CB 3.24Å; F304-Y306 HydrophobicContact CE2-CD2 4.31Å; Y306-G308 VanDerWaalsContact C-N 3.27Å; Y306-G308 VanDerWaalsContact CE1-O 3.28Å; Y306-G308 WeakPolarHBondContact CE1-O 3.47Å; Y306-G308 PolarHBondContact O-N 3.09Å; Y306-G308 PolarHBondContact OH-O 2.73Å; Y306-Y309 WeakPolarHBondContact OH-CA 3.44Å; Y306-Y309 PolarHBondContact OH-N 3.27Å; Y306-G310 PolarHBondContact OH-N 2.89Å; Y306-G310 PolarHBondContact OH-O 2.88Å
307	R	83.1	Confident	89.8	Confident	131 Å²	131	37 Å²	37	49%	0.494	18%	0.18	S	C	.	.			trans	-80.9	-3.5	-170.9	-60.1	-171.8	111.4	174.6	4.9	115	R282 G283 V284 G285 N287	R282-R307 HydrophobicContact CB-CG 4.32Å; R282-R307 WeakPolarHBondContact O-CB 3.36Å; R282-R307 WeakPolarHBondContact O-CG 3.32Å; R282-R307 PolarHBondContact O-N 3Å; G283-R307 VanDerWaalsContact O-CD 3.29Å; G283-R307 WeakPolarHBondContact O-CD 3.04Å; V284-R307 VanDerWaalsContact C-CB 3.46Å; V284-R307 CarbonylContact O-C 3.46Å; G285-R307 CarbonylContact C-O 3.58Å; G285-R307 WeakPolarHBondContact CA-O 3.48Å; G285-R307 PolarHBondContact O-NE 3.45Å; N287-R307 PolarHBondContact N-O 3.19Å; N287-R307 WeakPolarHBondContact O-CA 3Å
308	G	77.4	Confident	89.4	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	16%	0.156	C	C	.	.	S	Bend	trans	107.9	-30.9	171.4	0	0	0	0	0	114.3	Y306	Y306-G308 VanDerWaalsContact C-N 3.27Å; Y306-G308 VanDerWaalsContact CE1-O 3.28Å; Y306-G308 WeakPolarHBondContact CE1-O 3.47Å; Y306-G308 PolarHBondContact O-N 3.09Å; Y306-G308 PolarHBondContact OH-O 2.73Å
309	Y	79.8	Confident	89.3	Confident	139 Å²	139	30 Å²	30	55%	0.545	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-128.6	147.5	-177.2	-54.8	-83	0	0	0	113.4	G283 V284 Y306	G283-Y309 CarbonylContact C-O 3.51Å; G283-Y309 WeakPolarHBondContact CA-O 3.15Å; V284-Y309 PolarHBondContact N-O 2.68Å; V284-Y309 WeakPolarHBondContact O-CB 3.37Å; V284-Y309 WeakPolarHBondContact O-CD2 3.23Å; V284-Y309 PolarHBondContact O-N 3.44Å; V284-Y309 VanDerWaalsContact O-N 3.07Å; Y306-Y309 WeakPolarHBondContact OH-CA 3.44Å; Y306-Y309 PolarHBondContact OH-N 3.27Å
310	G	84.1	Confident	89	Confident	41 Å²	41	32.7 Å²	32.7	42%	0.423	16%	0.161	S	C	.	.			trans	70.1	-132.2	178.4	0	0	0	0	0	111.9	Y306 R315	Y306-G310 PolarHBondContact OH-N 2.89Å; Y306-G310 PolarHBondContact OH-O 2.88Å; G310-R315 PolarHBondContact O-NH1 2.83Å
311	G	88.5	Confident	88.8	Confident	12 Å²	12	29.8 Å²	29.8	12%	0.124	15%	0.151	C	C	.	.			trans	77.3	-168.3	-169.2	0	0	0	0	0	111.9	D281	D281-G311 VanDerWaalsContact CG-CA 3.48Å; D281-G311 VanDerWaalsContact OD2-CA 3.3Å; D281-G311 WeakPolarHBondContact OD2-CA 3.34Å
312	N	94.2	Very high	88.8	Confident	16 Å²	16	29.7 Å²	29.7	9%	0.086	15%	0.15	C	C	.	.			trans	-125.4	-174.1	176.1	70.5	29.5	0	0	0	111	Q278 P279 D281 N314	Q278-N312 VanDerWaalsContact OE1-CB 3.29Å; P279-N312 PolarHBondContact O-ND2 3.26Å; D281-N312 HydrophobicContact CB-CB 4.41Å; D281-N312 WeakPolarHBondContact CB-ND2 3.39Å; N312-N314 VanDerWaalsContact C-N 3.27Å; N312-N314 PolarHBondContact O-N 2.81Å; N312-N314 WeakPolarHBondContact OD1-CB 3.48Å; N312-N314 PolarHBondContact OD1-N 3.5Å
313	A	96.1	Very high	88.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-71.8	-15.1	-176.9	0	0	0	0	0	114.3	A275 R315 E366 A367 C369 P371	A275-A313 HydrophobicContact CB-CB 3.76Å; A275-A313 WeakPolarHBondContact CB-O 3.39Å; A313-R315 PolarHBondContact O-N 3.05Å; A313-E366 WeakPolarHBondContact CB-O 3.47Å; A313-A367 VanDerWaalsContact CB-O 3.27Å; A313-A367 WeakPolarHBondContact CB-O 3.35Å; A313-A367 PolarHBondContact N-O 3.34Å; A313-C369 WeakPolarHBondContact CA-O 3.43Å; A313-C369 WeakPolarHBondContact CB-O 3.44Å; A313-P371 WeakPolarHBondContact O-CD 3.4Å
314	N	97.5	Very high	88.9	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.139	C	C	.	.			trans	-75.5	57.4	175.8	-160.9	4.6	0	0	0	111.8	A275 Q278 Y293 Y294 N312	A275-N314 WeakPolarHBondContact O-CB 3.43Å; Q278-N314 HydrophobicContact CB-CB 4.05Å; Q278-N314 PolarHBondContact O-ND2 3.48Å; Y293-N314 WeakPolarHBondContact CB-O 3.12Å; Y294-N314 PolarHBondContact N-OD1 2.78Å; Y294-N314 PolarHBondContact O-ND2 3.23Å; N312-N314 VanDerWaalsContact C-N 3.27Å; N312-N314 PolarHBondContact O-N 2.81Å; N312-N314 WeakPolarHBondContact OD1-CB 3.48Å; N312-N314 PolarHBondContact OD1-N 3.5Å
315	R	93.9	Very high	89.1	Confident	9 Å²	9	26.8 Å²	26.8	3%	0.034	14%	0.141	C	C	.	.			trans	-142	122.2	-178.6	-177.7	175.7	74.7	-122.8	14.3	109.2	W292 F304 G310 A313 P370	W292-R315 CarbonylContact O-C 3.54Å; W292-R315 WeakPolarHBondContact O-CA 3.25Å; F304-R315 HydrophobicContact CE1-CG 4.42Å; F304-R315 HydrophobicContact CZ-CB 4.36Å; F304-R315 HydrophobicContact CZ-CG 3.98Å; G310-R315 PolarHBondContact O-NH1 2.83Å; A313-R315 PolarHBondContact O-N 3.05Å; R315-P370 HydrophobicContact CB-CG 4.26Å; R315-P370 HydrophobicContact CG-CG 4.48Å; R315-P370 VanDerWaalsContact NE-CG 3.35Å; R315-P370 VanDerWaalsContact NH2-CD 3.26Å; R315-P370 WeakPolarHBondContact O-CB 3.21Å
316	F	92	Very high	89.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-126.2	143.8	-177	-60.5	-95.3	0	0	0	109.8	A275 W292 A321 C322 L325 C326 P371	A275-F316 HydrophobicContact CB-CZ 4.45Å; W292-F316 HydrophobicContact CB-CB 4.12Å; W292-F316 PolarHBondContact N-O 2.93Å; W292-F316 PolarHBondContact O-N 2.81Å; F316-A321 HydrophobicContact CD1-CB 4.49Å; F316-C322 HydrophobicContact CB-CB 3.79Å; F316-C322 HydrophobicContact CD1-CB 4.02Å; F316-C322 HydrophobicContact CD2-CB 3.67Å; F316-C322 HydrophobicContact CE2-CB 4.26Å; F316-C322 HydrophobicContact CG-CB 3.55Å; F316-L325 HydrophobicContact CE1-CB 4.07Å; F316-L325 HydrophobicContact CE1-CD2 3.54Å; F316-L325 HydrophobicContact CE1-CG 4.41Å; F316-L325 HydrophobicContact CZ-CD2 3.88Å; F316-C326 WeakPolarHBondContact CZ-SG 3.28Å; F316-P371 HydrophobicContact CE1-CG 4.01Å; F316-P371 HydrophobicContact CZ-CG 4.15Å
317	Y	84.7	Confident	90.2	Very high	51 Å²	51	26.4 Å²	26.4	20%	0.2	14%	0.14	C	C	.	.	S	Bend	trans	-81.3	-21.3	-179.2	-63.4	-44.5	0	0	0	113	F87 T89 Q373	F87-Y317 HydrophobicContact CB-CE2 4.4Å; F87-Y317 HydrophobicContact CD1-CE2 4.49Å; F87-Y317 HydrophobicContact CD2-CD2 4.33Å; F87-Y317 AromaticContact CD2-CE2 3.49Å; F87-Y317 HydrophobicContact CD2-CE2 3.49Å; F87-Y317 VanDerWaalsContact CD2-CE2 3.49Å; F87-Y317 AromaticContact CD2-CZ 3.62Å; F87-Y317 AromaticContact CE2-CE2 3.77Å; F87-Y317 HydrophobicContact CE2-CE2 3.77Å; F87-Y317 HydrophobicContact CG-CD2 4.29Å; F87-Y317 AromaticContact CG-CE2 3.88Å; F87-Y317 HydrophobicContact CG-CE2 3.88Å; F87-Y317 HydrophobicContact CZ-CE2 4.38Å; T89-Y317 HydrophobicContact CG2-CD1 3.94Å; T89-Y317 HydrophobicContact CG2-CG 3.96Å; Y317-Q373 HydrophobicContact CD2-CB 3.86Å; Y317-Q373 HydrophobicContact CD2-CG 3.51Å; Y317-Q373 HydrophobicContact CE2-CB 4.44Å; Y317-Q373 HydrophobicContact CE2-CG 3.94Å; Y317-Q373 HydrophobicContact CG-CG 4.3Å
318	S	85.1	Confident	90.7	Very high	40 Å²	40	26.6 Å²	26.6	28%	0.28	14%	0.14	S	C	.	.	S	Bend	trans	-134.7	152.9	174.1	69.4	0	0	0	0	110.8	W292 A321 C322	W292-S318 VanDerWaalsContact CD1-C 3.46Å; S318-A321 PolarHBondContact O-N 2.75Å; S318-A321 VanDerWaalsContact OG-CB 3.25Å; S318-A321 WeakPolarHBondContact OG-CB 3.34Å; S318-A321 PolarHBondContact OG-N 2.94Å; S318-C322 PolarHBondContact O-N 3.18Å
319	R	87.5	Confident	91.5	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-49.9	173.2	-175.3	-158.4	-173.5	92.8	39.3	110.8	W260 W292 A321 C322 E323 S447 S450 P451	W260-R319 VanDerWaalsContact CD2-NH1 3.32Å; W292-R319 VanDerWaalsContact CD1-N 3.34Å; W292-R319 HydrophobicContact CD2-CB 3.72Å; W292-R319 HydrophobicContact CD2-CG 4.21Å; W292-R319 HydrophobicContact CE3-CB 3.92Å; W292-R319 HydrophobicContact CE3-CG 3.88Å; W292-R319 HydrophobicContact CG-CB 4.29Å; W292-R319 HydrophobicContact CH2-CB 4.05Å; W292-R319 HydrophobicContact CH2-CG 4.06Å; W292-R319 HydrophobicContact CZ2-CB 3.86Å; W292-R319 HydrophobicContact CZ2-CG 4.38Å; W292-R319 HydrophobicContact CZ3-CB 4.08Å; W292-R319 HydrophobicContact CZ3-CG 3.8Å; R319-A321 VanDerWaalsContact C-N 3.27Å; R319-A321 PolarHBondContact O-N 3Å; R319-C322 CarbonylContact O-C 3.59Å; R319-C322 WeakPolarHBondContact O-CA 3.18Å; R319-C322 WeakPolarHBondContact O-CB 3.48Å; R319-C322 PolarHBondContact O-N 2.85Å; R319-E323 HydrophobicContact CG-CG 4.27Å; R319-E323 IonicContact CZ-OE1 2.78Å; R319-E323 IonicContact NE-OE1 2.69Å; R319-E323 PolarHBondContact NE-OE1 3.46Å; R319-E323 IonicContact NH2-OE1 2.73Å; R319-E323 PolarHBondContact NH2-OE1 3.21Å; R319-E323 VanDerWaalsContact NH2-OE1 3.09Å; R319-E323 PolarHBondContact O-N 3.41Å; R319-S447 PolarHBondContact NH1-O 2.93Å; R319-S450 WeakPolarHBondContact CD-O 2.9Å; R319-S450 PolarHBondContact NH1-O 3.16Å; R319-P451 WeakPolarHBondContact CB-O 3.46Å; R319-P451 VanDerWaalsContact CD-C 3.48Å; R319-P451 WeakPolarHBondContact CD-O 3.28Å; R319-P451 WeakPolarHBondContact CD-OXT 3.39Å
320	T	87.8	Confident	92.2	Very high	59 Å²	59	21.8 Å²	21.8	36%	0.362	12%	0.12	S	C	.	.	H	α-helix	trans	-54.3	-44.5	-179.2	-41	0	0	0	0	111.1	C322 E323 E324	T320-C322 VanDerWaalsContact C-N 3.35Å; T320-C322 PolarHBondContact O-N 3.46Å; T320-E323 PolarHBondContact O-N 3.06Å; T320-E324 HydrophobicContact CG2-CG 4.31Å; T320-E324 WeakPolarHBondContact O-CB 2.91Å; T320-E324 VanDerWaalsContact O-CG 3.29Å; T320-E324 WeakPolarHBondContact O-CG 3.3Å; T320-E324 PolarHBondContact O-N 3.16Å
321	A	90.7	Very high	92.4	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-39.4	177.9	0	0	0	0	0	112.7	F316 S318 R319 L325 L333 P374	F316-A321 HydrophobicContact CD1-CB 4.49Å; S318-A321 PolarHBondContact O-N 2.75Å; S318-A321 VanDerWaalsContact OG-CB 3.25Å; S318-A321 WeakPolarHBondContact OG-CB 3.34Å; S318-A321 PolarHBondContact OG-N 2.94Å; R319-A321 VanDerWaalsContact C-N 3.27Å; R319-A321 PolarHBondContact O-N 3Å; A321-L325 WeakPolarHBondContact O-CB 3.41Å; A321-L325 PolarHBondContact O-N 3.19Å; A321-L325 VanDerWaalsContact O-N 3.12Å; A321-L333 HydrophobicContact CB-CD1 4.24Å; A321-P374 HydrophobicContact CB-CG 4.34Å
322	C	94.3	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-46.8	173.5	179.2	0	0	0	0	111.6	W292 C301 F316 S318 R319 T320 L325 C326	W292-C322 HydrophobicContact CB-CB 4.3Å; C301-C322 HydrophobicContact CB-CB 3.74Å; C301-C322 WeakPolarHBondContact CB-SG 3.39Å; C301-C322 WeakPolarHBondContact SG-CB 3.31Å; C301-C322 PolarHBondContact SG-O 3.32Å; C301-C322 CovalentContact SG-SG 2.03Å; C301-C322 PolarHBondContact SG-SG 2.88Å; F316-C322 HydrophobicContact CB-CB 3.79Å; F316-C322 HydrophobicContact CD1-CB 4.02Å; F316-C322 HydrophobicContact CD2-CB 3.67Å; F316-C322 HydrophobicContact CE2-CB 4.26Å; F316-C322 HydrophobicContact CG-CB 3.55Å; S318-C322 PolarHBondContact O-N 3.18Å; R319-C322 CarbonylContact O-C 3.59Å; R319-C322 WeakPolarHBondContact O-CA 3.18Å; R319-C322 WeakPolarHBondContact O-CB 3.48Å; R319-C322 PolarHBondContact O-N 2.85Å; T320-C322 VanDerWaalsContact C-N 3.35Å; T320-C322 PolarHBondContact O-N 3.46Å; C322-L325 PolarHBondContact O-N 3.27Å; C322-C326 VanDerWaalsContact O-CB 3.24Å; C322-C326 WeakPolarHBondContact O-CB 3.36Å; C322-C326 PolarHBondContact O-N 3Å
323	E	94.1	Very high	92.5	Very high	11 Å²	11	29.6 Å²	29.6	5%	0.051	14%	0.144	C	C	.	.	I	π-helix	trans	-67.2	-43.5	-178.3	-69.5	-172.7	175.1	0	0	111.7	A261 C301 R319 T320 L325 V327 R328	A261-E323 HydrophobicContact CB-CG 4.42Å; C301-E323 HydrophobicContact CB-CG 3.98Å; C301-E323 PolarHBondContact SG-N 3.46Å; C301-E323 VanDerWaalsContact SG-N 3.39Å; R319-E323 HydrophobicContact CG-CG 4.27Å; R319-E323 IonicContact CZ-OE1 2.78Å; R319-E323 IonicContact NE-OE1 2.69Å; R319-E323 PolarHBondContact NE-OE1 3.46Å; R319-E323 IonicContact NH2-OE1 2.73Å; R319-E323 PolarHBondContact NH2-OE1 3.21Å; R319-E323 VanDerWaalsContact NH2-OE1 3.09Å; R319-E323 PolarHBondContact O-N 3.41Å; T320-E323 PolarHBondContact O-N 3.06Å; E323-L325 PolarHBondContact O-N 3.25Å; E323-V327 HydrophobicContact CB-CG2 4.47Å; E323-V327 HydrophobicContact CG-CG2 4.48Å; E323-V327 VanDerWaalsContact O-CA 3.31Å; E323-V327 WeakPolarHBondContact O-CA 3.1Å; E323-V327 WeakPolarHBondContact O-CB 3.31Å; E323-V327 PolarHBondContact O-N 3Å; E323-R328 PolarHBondContact O-N 3.32Å
324	E	94.7	Very high	92.5	Very high	6 Å²	6	31 Å²	31	3%	0.028	15%	0.153	C	C	.	.	I	π-helix	trans	-58.5	-48.2	175.3	-72.3	-50.7	139.2	0	0	111.4	T320 R328 D329 N330 L333 F336	T320-E324 HydrophobicContact CG2-CG 4.31Å; T320-E324 WeakPolarHBondContact O-CB 2.91Å; T320-E324 VanDerWaalsContact O-CG 3.29Å; T320-E324 WeakPolarHBondContact O-CG 3.3Å; T320-E324 PolarHBondContact O-N 3.16Å; E324-R328 CarbonylContact O-C 3.5Å; E324-R328 PolarHBondContact O-N 2.89Å; E324-R328 WeakPolarHBondContact OE1-CD 3.01Å; E324-R328 IonicContact OE1-CZ 3.35Å; E324-R328 IonicContact OE1-NE 3.39Å; E324-R328 IonicContact OE1-NH1 3.12Å; E324-R328 PolarHBondContact OE1-NH1 3.34Å; E324-R328 WeakPolarHBondContact OE2-CD 3Å; E324-D329 PolarHBondContact O-N 3.13Å; E324-N330 HydrophobicContact CB-CB 4.38Å; E324-N330 WeakPolarHBondContact O-CB 3.02Å; E324-N330 PolarHBondContact O-N 3.04Å; E324-L333 HydrophobicContact CB-CD2 3.65Å; E324-F336 HydrophobicContact CG-CB 4.21Å; E324-F336 HydrophobicContact CG-CD2 4.32Å; E324-F336 HydrophobicContact CG-CG 4.24Å
325	L	95.4	Very high	92.2	Very high	8 Å²	8	37 Å²	37	4%	0.042	18%	0.182	C	C	.	.	I	π-helix	trans	-73.1	-47.8	-177	-167.9	63.3	0	0	0	112.8	H273 F316 A321 C322 E323 D329 N330 L333 P371	H273-L325 HydrophobicContact CB-CD1 4.09Å; H273-L325 HydrophobicContact CB-CD2 4.1Å; H273-L325 HydrophobicContact CB-CG 3.9Å; F316-L325 HydrophobicContact CE1-CB 4.07Å; F316-L325 HydrophobicContact CE1-CD2 3.54Å; F316-L325 HydrophobicContact CE1-CG 4.41Å; F316-L325 HydrophobicContact CZ-CD2 3.88Å; A321-L325 WeakPolarHBondContact O-CB 3.41Å; A321-L325 PolarHBondContact O-N 3.19Å; A321-L325 VanDerWaalsContact O-N 3.12Å; C322-L325 PolarHBondContact O-N 3.27Å; E323-L325 PolarHBondContact O-N 3.25Å; L325-D329 WeakPolarHBondContact O-CA 3.34Å; L325-D329 PolarHBondContact O-N 3.49Å; L325-N330 WeakPolarHBondContact CD1-O 3.45Å; L325-L333 HydrophobicContact CB-CD2 4.03Å; L325-L333 HydrophobicContact CD1-CD2 4.48Å; L325-P371 HydrophobicContact CD2-CB 3.89Å; L325-P371 HydrophobicContact CD2-CG 3.86Å
326	C	97	Very high	92	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-94.8	-34.3	-168.2	-59.6	0	0	0	0	113.4	R263 C276 Y294 F316 C322	R263-C326 WeakPolarHBondContact CD-O 3.43Å; C276-C326 HydrophobicContact CB-CB 3.62Å; C276-C326 WeakPolarHBondContact CB-SG 3.47Å; C276-C326 WeakPolarHBondContact SG-CA 3.33Å; C276-C326 WeakPolarHBondContact SG-CB 3.48Å; C276-C326 CovalentContact SG-SG 2.03Å; C276-C326 PolarHBondContact SG-SG 2.99Å; Y294-C326 HydrophobicContact CD1-CB 4.34Å; Y294-C326 HydrophobicContact CD2-CB 3.34Å; Y294-C326 HydrophobicContact CE2-CB 3.91Å; Y294-C326 HydrophobicContact CG-CB 3.57Å; F316-C326 WeakPolarHBondContact CZ-SG 3.28Å; C322-C326 VanDerWaalsContact O-CB 3.24Å; C322-C326 WeakPolarHBondContact O-CB 3.36Å; C322-C326 PolarHBondContact O-N 3Å
327	V	95.8	Very high	91.8	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.055	21%	0.207	C	C	.	.	I	π-helix	trans	-88.7	-43.7	179.9	177.6	0	0	0	0	110.8	A261 R263 Y294 E323	A261-V327 HydrophobicContact CB-CB 4.46Å; A261-V327 HydrophobicContact CB-CG1 3.87Å; R263-V327 HydrophobicContact CB-CB 4.43Å; R263-V327 HydrophobicContact CB-CG1 4.09Å; R263-V327 HydrophobicContact CB-CG2 4.39Å; R263-V327 PolarHBondContact NH1-O 3.43Å; Y294-V327 HydrophobicContact CD2-CG2 4.32Å; Y294-V327 HydrophobicContact CE2-CG2 3.84Å; E323-V327 HydrophobicContact CB-CG2 4.47Å; E323-V327 HydrophobicContact CG-CG2 4.48Å; E323-V327 VanDerWaalsContact O-CA 3.31Å; E323-V327 WeakPolarHBondContact O-CA 3.1Å; E323-V327 WeakPolarHBondContact O-CB 3.31Å; E323-V327 PolarHBondContact O-N 3Å
328	R	94.2	Very high	92	Very high	135 Å²	135	45.4 Å²	45.4	51%	0.509	22%	0.224	S	C	.	.	S	Bend	trans	-99.5	-4.8	-173.8	-58.6	177.4	-172.3	168.8	6	114.4	E323 E324 N330	E323-R328 PolarHBondContact O-N 3.32Å; E324-R328 CarbonylContact O-C 3.5Å; E324-R328 PolarHBondContact O-N 2.89Å; E324-R328 WeakPolarHBondContact OE1-CD 3.01Å; E324-R328 IonicContact OE1-CZ 3.35Å; E324-R328 IonicContact OE1-NE 3.39Å; E324-R328 IonicContact OE1-NH1 3.12Å; E324-R328 PolarHBondContact OE1-NH1 3.34Å; E324-R328 WeakPolarHBondContact OE2-CD 3Å; R328-N330 PolarHBondContact O-N 2.79Å
329	D	94.1	Very high	92.1	Very high	28 Å²	28	45 Å²	45	15%	0.15	22%	0.22	C	C	.	.			trans	54.6	25.8	-174.1	-64.8	-54.8	0	0	0	114.1	R263 R272 E324 L325 Q331	R263-D329 IonicContact CZ-OD1 3.18Å; R263-D329 IonicContact CZ-OD2 2.64Å; R263-D329 VanDerWaalsContact NH1-CG 3.32Å; R263-D329 IonicContact NH1-OD1 2.8Å; R263-D329 IonicContact NH1-OD2 3.57Å; R263-D329 PolarHBondContact NH1-OD2 3.29Å; R263-D329 IonicContact NH2-OD1 2.68Å; R263-D329 IonicContact NH2-OD2 3.83Å; R263-D329 PolarHBondContact NH2-OD2 3.29Å; R272-D329 HydrophobicContact CG-CB 4.48Å; R272-D329 WeakPolarHBondContact CG-OD1 3.48Å; R272-D329 PolarHBondContact N-OD1 2.74Å; E324-D329 PolarHBondContact O-N 3.13Å; L325-D329 WeakPolarHBondContact O-CA 3.34Å; L325-D329 PolarHBondContact O-N 3.49Å; D329-Q331 PolarHBondContact O-N 3.36Å
330	N	94	Very high	91.8	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.144	24%	0.238	C	C	.	.			trans	-81.5	119.4	177.2	177.4	24.9	0	0	0	110.4	E324 L325 R328 N332 L333 F336	E324-N330 HydrophobicContact CB-CB 4.38Å; E324-N330 WeakPolarHBondContact O-CB 3.02Å; E324-N330 PolarHBondContact O-N 3.04Å; L325-N330 WeakPolarHBondContact CD1-O 3.45Å; R328-N330 PolarHBondContact O-N 2.79Å; N330-N332 PolarHBondContact ND2-O 3.38Å; N330-N332 PolarHBondContact OD1-N 2.77Å; N330-L333 VanDerWaalsContact O-CD2 3.3Å; N330-L333 WeakPolarHBondContact O-CD2 3.25Å; N330-F336 WeakPolarHBondContact ND2-CD2 3.12Å; N330-F336 WeakPolarHBondContact ND2-CE2 3.03Å
331	Q	89	Confident	91.7	Very high	148 Å²	148	50 Å²	50	69%	0.692	24%	0.243	S	C	*	.	S	Bend	trans	-84.2	-26.6	177.5	-63.6	-177.7	0.2	0	0	112.6	D329 L333	D329-Q331 PolarHBondContact O-N 3.36Å; Q331-L333 PolarHBondContact O-N 3.36Å
332	N	93.5	Very high	91.6	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	29%	0.286	S	S	.	.			trans	-91.9	81.6	179.2	-173.6	6.9	0	0	0	110.4	N330 C334 E335	N330-N332 PolarHBondContact ND2-O 3.38Å; N330-N332 PolarHBondContact OD1-N 2.77Å; N332-C334 PolarHBondContact O-N 3.1Å; N332-C334 VanDerWaalsContact O-N 3.17Å; N332-C334 PolarHBondContact OD1-N 2.93Å; N332-E335 HydrophobicContact CB-CB 4.49Å; N332-E335 WeakPolarHBondContact O-CB 3.28Å; N332-E335 PolarHBondContact O-N 3.4Å; N332-E335 VanDerWaalsContact O-N 3.11Å
333	L	92	Very high	91.4	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-66.6	-17.4	-178.4	-48.4	179.6	0	0	0	113.1	A321 E324 L325 N330 Q331 E335 A337 L348 P374	A321-L333 HydrophobicContact CB-CD1 4.24Å; E324-L333 HydrophobicContact CB-CD2 3.65Å; L325-L333 HydrophobicContact CB-CD2 4.03Å; L325-L333 HydrophobicContact CD1-CD2 4.48Å; N330-L333 VanDerWaalsContact O-CD2 3.3Å; N330-L333 WeakPolarHBondContact O-CD2 3.25Å; Q331-L333 PolarHBondContact O-N 3.36Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-A337 PolarHBondContact O-N 3.3Å; L333-L348 HydrophobicContact CB-CD2 3.75Å; L333-L348 HydrophobicContact CG-CD2 4.32Å; L333-P374 HydrophobicContact CB-CB 4.2Å; L333-P374 HydrophobicContact CB-CG 3.87Å
334	C	94.5	Very high	91.2	Very high	28 Å²	28	61.6 Å²	61.6	19%	0.189	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-77.2	-13.1	175.3	-84.6	0	0	0	0	114.2	N332 F336 C346 E347	N332-C334 PolarHBondContact O-N 3.1Å; N332-C334 VanDerWaalsContact O-N 3.17Å; N332-C334 PolarHBondContact OD1-N 2.93Å; C334-F336 PolarHBondContact O-N 3.3Å; C334-C346 WeakPolarHBondContact CA-SG 3.46Å; C334-C346 HydrophobicContact CB-CB 3.72Å; C334-C346 WeakPolarHBondContact CB-SG 3.32Å; C334-C346 WeakPolarHBondContact SG-CB 3.46Å; C334-C346 CovalentContact SG-SG 2.06Å; C334-C346 PolarHBondContact SG-SG 3.44Å; C334-E347 VanDerWaalsContact SG-C 3.51Å; C334-E347 PolarHBondContact SG-N 3.15Å; C334-E347 VanDerWaalsContact SG-N 3.39Å
335	E	92.8	Very high	91.1	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.603	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-65.9	-28.9	174.5	-177.2	174.6	173.5	0	0	112.1	N332 L333	N332-E335 HydrophobicContact CB-CB 4.49Å; N332-E335 WeakPolarHBondContact O-CB 3.28Å; N332-E335 PolarHBondContact O-N 3.4Å; N332-E335 VanDerWaalsContact O-N 3.11Å; L333-E335 VanDerWaalsContact C-N 3.3Å
336	F	88.3	Confident	91.1	Very high	89 Å²	89	66.5 Å²	66.5	39%	0.39	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-13.2	-174.8	-61.4	-92.4	0	0	0	113.2	E324 N330 C334 K338	E324-F336 HydrophobicContact CG-CB 4.21Å; E324-F336 HydrophobicContact CG-CD2 4.32Å; E324-F336 HydrophobicContact CG-CG 4.24Å; N330-F336 WeakPolarHBondContact ND2-CD2 3.12Å; N330-F336 WeakPolarHBondContact ND2-CE2 3.03Å; C334-F336 PolarHBondContact O-N 3.3Å; F336-K338 PolarHBondContact O-N 2.9Å
337	A	88.2	Confident	90.9	Very high	21 Å²	21	71.1 Å²	71.1	17%	0.174	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-82.3	116.4	177.2	0	0	0	0	0	111.1	L333 P374 P386	L333-A337 PolarHBondContact O-N 3.3Å; A337-P374 HydrophobicContact CB-CB 3.61Å; A337-P374 HydrophobicContact CB-CG 4.08Å; A337-P386 HydrophobicContact CB-CB 4.04Å; A337-P386 HydrophobicContact CB-CG 3.97Å
338	K	88.8	Confident	90.7	Very high	125 Å²	125	74 Å²	74	54%	0.543	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-89.3	138.7	172.9	-68.4	172.4	-176.6	161.6	0	109.9	F336 P386 D387 E389	F336-K338 PolarHBondContact O-N 2.9Å; K338-P386 CarbonylContact O-C 3.46Å; K338-P386 VanDerWaalsContact O-CA 3.27Å; K338-P386 WeakPolarHBondContact O-CA 3.26Å; K338-P386 WeakPolarHBondContact O-CB 3.39Å; K338-D387 HydrophobicContact CB-CB 4.24Å; K338-D387 PolarHBondContact O-N 3.32Å; K338-E389 IonicContact NZ-OE1 3.58Å; K338-E389 PolarHBondContact NZ-OE1 3.13Å
339	C	87.2	Confident	90.3	Very high	32 Å²	32	68.3 Å²	68.3	22%	0.216	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-103.4	134.8	179.8	-69.9	0	0	0	0	112.3	K341 T344 C376	C339-K341 PolarHBondContact O-N 3.23Å; C339-K341 VanDerWaalsContact O-N 3.08Å; C339-T344 WeakPolarHBondContact CB-OG1 3.36Å; C339-C376 WeakPolarHBondContact CA-SG 3.01Å; C339-C376 HydrophobicContact CB-CB 3.74Å; C339-C376 WeakPolarHBondContact CB-SG 3.44Å; C339-C376 WeakPolarHBondContact SG-CB 2.98Å; C339-C376 CovalentContact SG-SG 2.04Å; C339-C376 PolarHBondContact SG-SG 2.76Å
340	P	81.7	Confident	89.9	Confident	57 Å²	57	67.2 Å²	67.2	37%	0.37	36%	0.358	S	S	.	.	S	Bend	trans	-60	-27.4	-173.5	14.7	-28.4	0	0	0	114.4	M384 D387	P340-M384 HydrophobicContact CG-CE 3.79Å; P340-D387 WeakPolarHBondContact CA-OD1 3.42Å; P340-D387 VanDerWaalsContact CA-OD2 3.26Å; P340-D387 WeakPolarHBondContact CA-OD2 3.39Å; P340-D387 WeakPolarHBondContact CB-OD1 3.24Å; P340-D387 WeakPolarHBondContact CD-OD1 3.49Å
341	K	85.5	Confident	89.5	Confident	111 Å²	111	67.4 Å²	67.4	48%	0.483	36%	0.359	S	S	.	.	S	Bend	trans	-121.6	135.4	-173.5	-64.8	-171.7	176.4	-179.7	0	110.2	C339 I343 T344 M384	C339-K341 PolarHBondContact O-N 3.23Å; C339-K341 VanDerWaalsContact O-N 3.08Å; K341-I343 HydrophobicContact CB-CG1 3.99Å; K341-I343 PolarHBondContact O-N 3.47Å; K341-I343 VanDerWaalsContact O-N 3.13Å; K341-T344 HydrophobicContact CB-CG2 4.13Å; K341-T344 PolarHBondContact O-N 3.04Å; K341-T344 PolarHBondContact O-OG1 3.29Å; K341-M384 HydrophobicContact CD-CE 4.08Å; K341-M384 HydrophobicContact CD-SD 4.19Å; K341-M384 HydrophobicContact CG-CE 4.35Å
342	S	88.2	Confident	89.4	Confident	130 Å²	130	65.6 Å²	65.6	91%	0.909	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.3	174.8	56.2	0	0	0	0	114	T344	S342-T344 VanDerWaalsContact C-N 3.27Å
343	I	89.7	Confident	89	Confident	114 Å²	114	65 Å²	65	59%	0.585	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.2	175.7	62.9	162.9	0	0	0	113.7	K341	K341-I343 HydrophobicContact CB-CG1 3.99Å; K341-I343 PolarHBondContact O-N 3.47Å; K341-I343 VanDerWaalsContact O-N 3.13Å
344	T	89.6	Confident	88.8	Confident	12 Å²	12	65.6 Å²	65.6	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.3	178.2	52.1	0	0	0	0	111.2	C339 K341 S342 V377 T378 M384	C339-T344 WeakPolarHBondContact CB-OG1 3.36Å; K341-T344 HydrophobicContact CB-CG2 4.13Å; K341-T344 PolarHBondContact O-N 3.04Å; K341-T344 PolarHBondContact O-OG1 3.29Å; S342-T344 VanDerWaalsContact C-N 3.27Å; T344-V377 CarbonylContact C-O 3.53Å; T344-V377 WeakPolarHBondContact CA-O 3.35Å; T344-V377 WeakPolarHBondContact CB-O 3.27Å; T344-T378 HydrophobicContact CG2-CG2 3.58Å; T344-M384 HydrophobicContact CG2-SD 3.95Å
345	T	94.4	Very high	88.6	Confident	84 Å²	84	65.1 Å²	65.1	52%	0.515	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.9	174.7	45.4	0	0	0	0	109.2	C376 V377	T345-C376 WeakPolarHBondContact O-CA 3.3Å; T345-V377 PolarHBondContact N-O 3.21Å; T345-V377 WeakPolarHBondContact O-CG2 3.4Å; T345-V377 PolarHBondContact O-N 2.95Å
346	C	93.9	Very high	88.5	Confident	33 Å²	33	62.1 Å²	62.1	22%	0.223	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.3	172.7	-174.6	0	0	0	0	109.8	C334 P374 V375	C334-C346 WeakPolarHBondContact CA-SG 3.46Å; C334-C346 HydrophobicContact CB-CB 3.72Å; C334-C346 WeakPolarHBondContact CB-SG 3.32Å; C334-C346 WeakPolarHBondContact SG-CB 3.46Å; C334-C346 CovalentContact SG-SG 2.06Å; C334-C346 PolarHBondContact SG-SG 3.44Å; C346-P374 VanDerWaalsContact SG-CB 3.59Å; C346-V375 WeakPolarHBondContact CA-O 3.09Å
347	E	92.5	Very high	88.5	Confident	96 Å²	96	63.6 Å²	63.6	45%	0.449	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.1	170.5	-69.4	179.8	-169.3	0	0	109.7	C334 V349 V375 V377	C334-E347 VanDerWaalsContact SG-C 3.51Å; C334-E347 PolarHBondContact SG-N 3.15Å; C334-E347 VanDerWaalsContact SG-N 3.39Å; E347-V349 HydrophobicContact CB-CG2 4.22Å; E347-V349 PolarHBondContact O-N 2.62Å; E347-V375 PolarHBondContact N-O 2.86Å; E347-V375 PolarHBondContact O-N 2.04Å; E347-V377 HydrophobicContact CB-CG2 4.24Å; E347-V377 HydrophobicContact CG-CG2 3.7Å; E347-V377 VanDerWaalsContact OE1-CG2 3.26Å; E347-V377 WeakPolarHBondContact OE1-CG2 3.34Å
348	L	91.4	Very high	88.7	Confident	71 Å²	71	63.7 Å²	63.7	37%	0.372	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113.8	170.9	-62.5	-178.9	0	0	0	108.6	L333 D372 Q373 P374	L333-L348 HydrophobicContact CB-CD2 3.75Å; L333-L348 HydrophobicContact CG-CD2 4.32Å; L348-D372 HydrophobicContact CB-CB 3.98Å; L348-Q373 WeakPolarHBondContact CA-O 3.17Å; L348-P374 HydrophobicContact CD2-CB 4.27Å
349	V	86.8	Confident	88.9	Confident	15 Å²	15	62.8 Å²	62.8	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.5	-175.9	-171.4	0	0	0	0	109.9	F87 E347 Q373 V375	F87-V349 HydrophobicContact CE1-CB 4.04Å; F87-V349 HydrophobicContact CE1-CG1 3.75Å; F87-V349 HydrophobicContact CZ-CB 4.24Å; F87-V349 HydrophobicContact CZ-CG1 3.7Å; E347-V349 HydrophobicContact CB-CG2 4.22Å; E347-V349 PolarHBondContact O-N 2.62Å; V349-Q373 PolarHBondContact N-O 2.91Å; V349-Q373 PolarHBondContact O-N 3.25Å; V349-V375 HydrophobicContact CB-CB 4.28Å; V349-V375 HydrophobicContact CB-CG2 4.09Å; V349-V375 HydrophobicContact CG2-CB 3.93Å; V349-V375 HydrophobicContact CG2-CG2 4.3Å
350	G	85.1	Confident	89.2	Confident	4 Å²	4	67.7 Å²	67.7	4%	0.041	36%	0.36	C	S	.	.			trans	-88.1	165.6	172	0	0	0	0	0	114.4	Q352 D372	G350-Q352 PolarHBondContact O-N 3.13Å; G350-Q352 VanDerWaalsContact O-N 3.08Å; G350-D372 WeakPolarHBondContact CA-OD1 3.38Å; G350-D372 PolarHBondContact N-OD1 2.62Å
351	D	85.8	Confident	89.8	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.171	36%	0.364	C	S	.	.			trans	-76.1	89.9	164.4	-175.4	-9.1	0	0	0	110.1	S353 C354 K355	D351-S353 PolarHBondContact O-N 2.94Å; D351-S353 WeakPolarHBondContact OD1-CA 3.5Å; D351-S353 WeakPolarHBondContact OD1-CB 3.45Å; D351-S353 PolarHBondContact OD1-N 3.34Å; D351-S353 PolarHBondContact OD1-OG 3.03Å; D351-C354 HydrophobicContact CB-CB 3.9Å; D351-C354 VanDerWaalsContact CG-CB 3.44Å; D351-C354 PolarHBondContact O-N 3.33Å; D351-C354 PolarHBondContact OD1-N 3.32Å; D351-C354 WeakPolarHBondContact OD2-CB 3.29Å; D351-K355 WeakPolarHBondContact O-CG 3.33Å; D351-K355 PolarHBondContact O-N 3.45Å
352	Q	88	Confident	90.2	Very high	109 Å²	109	75.1 Å²	75.1	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-30.8	178.2	-61.3	-57.1	-34.4	0	0	112.3	G350 K355 V356	G350-Q352 PolarHBondContact O-N 3.13Å; G350-Q352 VanDerWaalsContact O-N 3.08Å; Q352-K355 PolarHBondContact O-N 3.13Å; Q352-V356 WeakPolarHBondContact O-CB 3.36Å; Q352-V356 VanDerWaalsContact O-CG2 3.29Å; Q352-V356 WeakPolarHBondContact O-CG2 3.41Å; Q352-V356 PolarHBondContact O-N 3.38Å
353	S	85.2	Confident	90.4	Very high	67 Å²	67	74.2 Å²	74.2	47%	0.469	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-42.9	178.7	75.2	0	0	0	0	110.8	D351 Y357	D351-S353 PolarHBondContact O-N 2.94Å; D351-S353 WeakPolarHBondContact OD1-CA 3.5Å; D351-S353 WeakPolarHBondContact OD1-CB 3.45Å; D351-S353 PolarHBondContact OD1-N 3.34Å; D351-S353 PolarHBondContact OD1-OG 3.03Å; S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.33Å
354	C	86.7	Confident	90.5	Very high	19 Å²	19	71.3 Å²	71.3	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-50	171.9	-175	0	0	0	0	111	D351 V356 Y357 K358 C369	D351-C354 HydrophobicContact CB-CB 3.9Å; D351-C354 VanDerWaalsContact CG-CB 3.44Å; D351-C354 PolarHBondContact O-N 3.33Å; D351-C354 PolarHBondContact OD1-N 3.32Å; D351-C354 WeakPolarHBondContact OD2-CB 3.29Å; C354-V356 PolarHBondContact O-N 2.9Å; C354-Y357 PolarHBondContact O-N 2.89Å; C354-K358 WeakPolarHBondContact O-CG 3.48Å; C354-K358 PolarHBondContact O-N 2.94Å; C354-C369 HydrophobicContact CB-CB 3.95Å; C354-C369 WeakPolarHBondContact CB-SG 3.31Å; C354-C369 VanDerWaalsContact SG-CA 3.56Å; C354-C369 WeakPolarHBondContact SG-CB 3.27Å; C354-C369 CovalentContact SG-SG 2.04Å; C354-C369 PolarHBondContact SG-SG 3.22Å
355	K	90.2	Very high	90.7	Very high	17 Å²	17	74.2 Å²	74.2	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-48.9	-177.3	-66.9	-177.1	-176.2	-169.2	0	112.3	D351 Q352 Y357 K358 Q359 W365 D372	D351-K355 WeakPolarHBondContact O-CG 3.33Å; D351-K355 PolarHBondContact O-N 3.45Å; Q352-K355 PolarHBondContact O-N 3.13Å; K355-Y357 PolarHBondContact O-N 3.06Å; K355-K358 PolarHBondContact O-N 3.3Å; K355-Q359 WeakPolarHBondContact O-CB 3.48Å; K355-Q359 VanDerWaalsContact O-CG 3.27Å; K355-Q359 WeakPolarHBondContact O-CG 3.45Å; K355-Q359 PolarHBondContact O-N 3.01Å; K355-W365 HydrophobicContact CB-CB 4.29Å; K355-W365 HydrophobicContact CB-CG 4.37Å; K355-W365 HydrophobicContact CD-CD2 4.22Å; K355-W365 HydrophobicContact CD-CE3 3.79Å; K355-W365 HydrophobicContact CD-CZ3 4.05Å; K355-W365 HydrophobicContact CG-CB 4.23Å; K355-W365 HydrophobicContact CG-CD2 4.03Å; K355-W365 HydrophobicContact CG-CE3 3.76Å; K355-W365 HydrophobicContact CG-CG 4.27Å; K355-W365 HydrophobicContact CG-CZ3 4.49Å; K355-D372 WeakPolarHBondContact CE-OD1 3.24Å; K355-D372 IonicContact NZ-OD1 2.96Å; K355-D372 PolarHBondContact NZ-OD1 3.35Å; K355-D372 IonicContact NZ-OD2 2.63Å; K355-D372 PolarHBondContact NZ-OD2 2.78Å
356	V	91	Very high	90.5	Very high	66 Å²	66	73.7 Å²	73.7	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-45.9	178.2	171.5	0	0	0	0	110.8	Q352 C354 K358 Q359 Q360	Q352-V356 WeakPolarHBondContact O-CB 3.36Å; Q352-V356 VanDerWaalsContact O-CG2 3.29Å; Q352-V356 WeakPolarHBondContact O-CG2 3.41Å; Q352-V356 PolarHBondContact O-N 3.38Å; C354-V356 PolarHBondContact O-N 2.9Å; V356-K358 PolarHBondContact O-N 2.78Å; V356-Q359 PolarHBondContact O-N 3.21Å; V356-Q360 HydrophobicContact CG1-CG 4.37Å; V356-Q360 WeakPolarHBondContact O-CG 3.49Å; V356-Q360 PolarHBondContact O-N 2.96Å
357	Y	89.4	Confident	90.4	Very high	121 Å²	121	73.6 Å²	73.6	48%	0.475	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-46.4	179.4	179.1	-98.7	0	0	0	112	S353 C354 K355 Q360 H361	S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.33Å; C354-Y357 PolarHBondContact O-N 2.89Å; K355-Y357 PolarHBondContact O-N 3.06Å; Y357-Q360 PolarHBondContact O-N 3.22Å; Y357-H361 AromaticContact CD2-CD2 3.81Å; Y357-H361 AromaticContact CD2-NE2 3.99Å; Y357-H361 AromaticContact CE1-CD2 4Å; Y357-H361 AromaticContact CE2-CD2 3.44Å; Y357-H361 VanDerWaalsContact CE2-CD2 3.44Å; Y357-H361 WeakPolarHBondContact CE2-CD2 3.17Å; Y357-H361 AromaticContact CE2-NE2 3.29Å; Y357-H361 VanDerWaalsContact CE2-NE2 3.29Å; Y357-H361 WeakPolarHBondContact CE2-NE2 3.5Å; Y357-H361 AromaticContact CZ-CD2 3.53Å; Y357-H361 AromaticContact CZ-NE2 3.59Å; Y357-H361 PolarHBondContact O-CD2 3.38Å; Y357-H361 VanDerWaalsContact O-CD2 3.27Å; Y357-H361 PolarHBondContact O-N 3.26Å
358	K	91.2	Very high	90.3	Very high	22 Å²	22	71.4 Å²	71.4	10%	0.096	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-41.5	178.6	-62	-57.3	175.8	176.5	0	112.1	C354 K355 V356 Q360 H361 Y362 K363 W365 E368	C354-K358 WeakPolarHBondContact O-CG 3.48Å; C354-K358 PolarHBondContact O-N 2.94Å; K355-K358 PolarHBondContact O-N 3.3Å; V356-K358 PolarHBondContact O-N 2.78Å; K358-Q360 PolarHBondContact O-N 3Å; K358-H361 CarbonylContact O-C 3.59Å; K358-H361 PolarHBondContact O-N 2.69Å; K358-Y362 PolarHBondContact O-N 3.13Å; K358-K363 CarbonylContact C-O 3.49Å; K358-K363 HydrophobicContact CB-CB 4.2Å; K358-K363 HydrophobicContact CD-CB 4.3Å; K358-K363 HydrophobicContact CD-CD 4.44Å; K358-K363 PolarHBondContact O-N 2.03Å; K358-W365 HydrophobicContact CB-CB 3.89Å; K358-W365 HydrophobicContact CG-CB 4.39Å; K358-E368 HydrophobicContact CD-CB 3.96Å; K358-E368 WeakPolarHBondContact CD-OE2 3.17Å; K358-E368 VanDerWaalsContact CE-OE2 3.23Å; K358-E368 WeakPolarHBondContact CE-OE2 3.28Å; K358-E368 HydrophobicContact CG-CB 4.23Å; K358-E368 IonicContact NZ-OE2 2.58Å; K358-E368 PolarHBondContact NZ-OE2 3.48Å
359	Q	92.7	Very high	90.4	Very high	107 Å²	107	68.1 Å²	68.1	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.6	-73.3	173.8	1.7	0	0	112.3	K355 V356 H361 Y362	K355-Q359 WeakPolarHBondContact O-CB 3.48Å; K355-Q359 VanDerWaalsContact O-CG 3.27Å; K355-Q359 WeakPolarHBondContact O-CG 3.45Å; K355-Q359 PolarHBondContact O-N 3.01Å; V356-Q359 PolarHBondContact O-N 3.21Å; Q359-H361 PolarHBondContact O-N 2.88Å; Q359-Y362 PolarHBondContact O-N 3.07Å; Q359-Y362 VanDerWaalsContact O-N 3.16Å
360	Q	94.4	Very high	90.6	Very high	134 Å²	134	67.6 Å²	67.6	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-29.5	176.7	-74.3	175.1	-13.8	0	0	113.1	V356 Y357 K358	V356-Q360 HydrophobicContact CG1-CG 4.37Å; V356-Q360 WeakPolarHBondContact O-CG 3.49Å; V356-Q360 PolarHBondContact O-N 2.96Å; Y357-Q360 PolarHBondContact O-N 3.22Å; K358-Q360 PolarHBondContact O-N 3Å
361	H	94.6	Very high	91	Very high	99 Å²	99	68 Å²	68	46%	0.458	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	17	178.3	-75.6	-77.1	0	0	0	113.7	Y357 K358 Q359 K363	Y357-H361 AromaticContact CD2-CD2 3.81Å; Y357-H361 AromaticContact CD2-NE2 3.99Å; Y357-H361 AromaticContact CE1-CD2 4Å; Y357-H361 AromaticContact CE2-CD2 3.44Å; Y357-H361 VanDerWaalsContact CE2-CD2 3.44Å; Y357-H361 WeakPolarHBondContact CE2-CD2 3.17Å; Y357-H361 AromaticContact CE2-NE2 3.29Å; Y357-H361 VanDerWaalsContact CE2-NE2 3.29Å; Y357-H361 WeakPolarHBondContact CE2-NE2 3.5Å; Y357-H361 AromaticContact CZ-CD2 3.53Å; Y357-H361 AromaticContact CZ-NE2 3.59Å; Y357-H361 PolarHBondContact O-CD2 3.38Å; Y357-H361 VanDerWaalsContact O-CD2 3.27Å; Y357-H361 PolarHBondContact O-N 3.26Å; K358-H361 CarbonylContact O-C 3.59Å; K358-H361 PolarHBondContact O-N 2.69Å; Q359-H361 PolarHBondContact O-N 2.88Å; H361-K363 HydrophobicContact CB-CD 4.47Å; H361-K363 PolarHBondContact O-N 2.84Å
362	Y	94.2	Very high	91.3	Very high	226 Å²	226	69 Å²	69	89%	0.886	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.2	179.9	-53.5	-83.6	0	0	0	114	K358 Q359	K358-Y362 PolarHBondContact O-N 3.13Å; Q359-Y362 PolarHBondContact O-N 3.07Å; Q359-Y362 VanDerWaalsContact O-N 3.16Å
363	K	91.5	Very high	91.4	Very high	110 Å²	110	63.9 Å²	63.9	48%	0.478	31%	0.309	S	S	.	.			trans	-106.1	150.9	177.7	-73.1	175.7	171.8	-160.2	0	110.6	K358 H361 W365 E368	K358-K363 CarbonylContact C-O 3.49Å; K358-K363 HydrophobicContact CB-CB 4.2Å; K358-K363 HydrophobicContact CD-CB 4.3Å; K358-K363 HydrophobicContact CD-CD 4.44Å; K358-K363 PolarHBondContact O-N 2.03Å; H361-K363 HydrophobicContact CB-CD 4.47Å; H361-K363 PolarHBondContact O-N 2.84Å; K363-W365 PolarHBondContact O-N 2.72Å; K363-E368 WeakPolarHBondContact CB-OE1 3.42Å; K363-E368 WeakPolarHBondContact CD-OE1 3.45Å
364	S	92.7	Very high	91.6	Very high	54 Å²	54	61.3 Å²	61.3	38%	0.378	29%	0.29	S	S	.	.			trans	-73.9	118.3	174	170.1	0	0	0	0	109.8	E366 A367 E368	S364-E366 VanDerWaalsContact C-N 3.31Å; S364-E366 PolarHBondContact OG-N 2.77Å; S364-E366 PolarHBondContact OG-OE2 3.08Å; S364-A367 PolarHBondContact OG-N 2.85Å; S364-E368 PolarHBondContact O-N 3.21Å
365	W	92.3	Very high	91.6	Very high	72 Å²	72	60.9 Å²	60.9	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-73.8	-27.2	175.8	61.3	-88.5	0	0	0	111.4	K355 K358 K363 A367 E368 C369	K355-W365 HydrophobicContact CB-CB 4.29Å; K355-W365 HydrophobicContact CB-CG 4.37Å; K355-W365 HydrophobicContact CD-CD2 4.22Å; K355-W365 HydrophobicContact CD-CE3 3.79Å; K355-W365 HydrophobicContact CD-CZ3 4.05Å; K355-W365 HydrophobicContact CG-CB 4.23Å; K355-W365 HydrophobicContact CG-CD2 4.03Å; K355-W365 HydrophobicContact CG-CE3 3.76Å; K355-W365 HydrophobicContact CG-CG 4.27Å; K355-W365 HydrophobicContact CG-CZ3 4.49Å; K358-W365 HydrophobicContact CB-CB 3.89Å; K358-W365 HydrophobicContact CG-CB 4.39Å; K363-W365 PolarHBondContact O-N 2.72Å; W365-A367 VanDerWaalsContact C-N 3.25Å; W365-A367 PolarHBondContact O-N 2.01Å; W365-E368 PolarHBondContact O-N 2.83Å; W365-C369 WeakPolarHBondContact O-CA 3.44Å; W365-C369 WeakPolarHBondContact O-CB 3.38Å; W365-C369 PolarHBondContact O-N 2.92Å
366	E	91.8	Very high	91.4	Very high	73 Å²	73	60.1 Å²	60.1	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-28.6	177.1	-55.6	83.6	169	0	0	112.2	I274 A313 S364	I274-E366 HydrophobicContact CD1-CB 3.68Å; A313-E366 WeakPolarHBondContact CB-O 3.47Å; S364-E366 VanDerWaalsContact C-N 3.31Å; S364-E366 PolarHBondContact OG-N 2.77Å; S364-E366 PolarHBondContact OG-OE2 3.08Å
367	A	91.5	Very high	91.2	Very high	31 Å²	31	57.3 Å²	57.3	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-83.5	-36.3	175	0	0	0	0	0	112.3	Q278 A313 S364 W365	Q278-A367 PolarHBondContact NE2-O 2.89Å; Q278-A367 VanDerWaalsContact NE2-O 3.14Å; Q278-A367 PolarHBondContact OE1-O 2.9Å; A313-A367 VanDerWaalsContact CB-O 3.27Å; A313-A367 WeakPolarHBondContact CB-O 3.35Å; A313-A367 PolarHBondContact N-O 3.34Å; S364-A367 PolarHBondContact OG-N 2.85Å; W365-A367 VanDerWaalsContact C-N 3.25Å; W365-A367 PolarHBondContact O-N 2.01Å
368	E	90.3	Very high	91.1	Very high	51 Å²	51	52.4 Å²	52.4	24%	0.238	25%	0.25	C	C	.	.	H	α-helix	trans	-104.7	-16.1	-169.3	-64.5	-173.5	-133.7	0	0	114.9	K358 K363 S364 W365	K358-E368 HydrophobicContact CD-CB 3.96Å; K358-E368 WeakPolarHBondContact CD-OE2 3.17Å; K358-E368 VanDerWaalsContact CE-OE2 3.23Å; K358-E368 WeakPolarHBondContact CE-OE2 3.28Å; K358-E368 HydrophobicContact CG-CB 4.23Å; K358-E368 IonicContact NZ-OE2 2.58Å; K358-E368 PolarHBondContact NZ-OE2 3.48Å; K363-E368 WeakPolarHBondContact CB-OE1 3.42Å; K363-E368 WeakPolarHBondContact CD-OE1 3.45Å; S364-E368 PolarHBondContact O-N 3.21Å; W365-E368 PolarHBondContact O-N 2.83Å
369	C	93.3	Very high	91.1	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.014	29%	0.288	C	S	.	.	S	Bend	trans	-109.9	144.1	-178.8	-56.9	0	0	0	0	111.3	A313 C354 W365	A313-C369 WeakPolarHBondContact CA-O 3.43Å; A313-C369 WeakPolarHBondContact CB-O 3.44Å; C354-C369 HydrophobicContact CB-CB 3.95Å; C354-C369 WeakPolarHBondContact CB-SG 3.31Å; C354-C369 VanDerWaalsContact SG-CA 3.56Å; C354-C369 WeakPolarHBondContact SG-CB 3.27Å; C354-C369 CovalentContact SG-SG 2.04Å; C354-C369 PolarHBondContact SG-SG 3.22Å; W365-C369 WeakPolarHBondContact O-CA 3.44Å; W365-C369 WeakPolarHBondContact O-CB 3.38Å; W365-C369 PolarHBondContact O-N 2.92Å
370	P	91.9	Very high	90.9	Very high	3 Å²	3	67 Å²	67	2%	0.019	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-50.3	141	171	-30	37.2	0	0	0	112.2	R315	R315-P370 HydrophobicContact CB-CG 4.26Å; R315-P370 HydrophobicContact CG-CG 4.48Å; R315-P370 VanDerWaalsContact NE-CG 3.35Å; R315-P370 VanDerWaalsContact NH2-CD 3.26Å; R315-P370 WeakPolarHBondContact O-CB 3.21Å
371	P	92.6	Very high	90.4	Very high	14 Å²	14	66.8 Å²	66.8	9%	0.091	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56.7	156.5	168.5	-21.6	30.3	0	0	0	110.8	A275 A313 F316 L325 Q373	A275-P371 HydrophobicContact CB-CG 3.62Å; A313-P371 WeakPolarHBondContact O-CD 3.4Å; F316-P371 HydrophobicContact CE1-CG 4.01Å; F316-P371 HydrophobicContact CZ-CG 4.15Å; L325-P371 HydrophobicContact CD2-CB 3.89Å; L325-P371 HydrophobicContact CD2-CG 3.86Å; P371-Q373 VanDerWaalsContact O-CG 3.31Å; P371-Q373 WeakPolarHBondContact O-CG 3.27Å; P371-Q373 PolarHBondContact O-N 2.94Å; P371-Q373 PolarHBondContact O-NE2 2.81Å
372	D	92.9	Very high	89.9	Confident	52 Å²	52	65.9 Å²	65.9	28%	0.278	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-64.8	124.6	177.8	-63.6	-7.4	0	0	0	109.6	L348 G350 K355	L348-D372 HydrophobicContact CB-CB 3.98Å; G350-D372 WeakPolarHBondContact CA-OD1 3.38Å; G350-D372 PolarHBondContact N-OD1 2.62Å; K355-D372 WeakPolarHBondContact CE-OD1 3.24Å; K355-D372 IonicContact NZ-OD1 2.96Å; K355-D372 PolarHBondContact NZ-OD1 3.35Å; K355-D372 IonicContact NZ-OD2 2.63Å; K355-D372 PolarHBondContact NZ-OD2 2.78Å
373	Q	88.4	Confident	89.4	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	151.2	-172.1	-58	-64.2	-76.4	0	0	110.4	Y317 L348 V349 P371 V375	Y317-Q373 HydrophobicContact CD2-CB 3.86Å; Y317-Q373 HydrophobicContact CD2-CG 3.51Å; Y317-Q373 HydrophobicContact CE2-CB 4.44Å; Y317-Q373 HydrophobicContact CE2-CG 3.94Å; Y317-Q373 HydrophobicContact CG-CG 4.3Å; L348-Q373 WeakPolarHBondContact CA-O 3.17Å; V349-Q373 PolarHBondContact N-O 2.91Å; V349-Q373 PolarHBondContact O-N 3.25Å; P371-Q373 VanDerWaalsContact O-CG 3.31Å; P371-Q373 WeakPolarHBondContact O-CG 3.27Å; P371-Q373 PolarHBondContact O-N 2.94Å; P371-Q373 PolarHBondContact O-NE2 2.81Å; Q373-V375 PolarHBondContact O-N 3.35Å
374	P	90	Very high	88.8	Confident	12 Å²	12	57.9 Å²	57.9	8%	0.078	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.8	178.5	29.3	-33.4	0	0	0	111	A321 L333 A337 C346 L348 P386	A321-P374 HydrophobicContact CB-CG 4.34Å; L333-P374 HydrophobicContact CB-CB 4.2Å; L333-P374 HydrophobicContact CB-CG 3.87Å; A337-P374 HydrophobicContact CB-CB 3.61Å; A337-P374 HydrophobicContact CB-CG 4.08Å; C346-P374 VanDerWaalsContact SG-CB 3.59Å; L348-P374 HydrophobicContact CD2-CB 4.27Å; P374-P386 WeakPolarHBondContact O-CG 3.47Å
375	V	86.7	Confident	88.2	Confident	11 Å²	11	58.3 Å²	58.3	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.9	179	179.7	0	0	0	0	109.2	F87 C346 E347 V349 Q373 V377 R383 M384	F87-V375 HydrophobicContact CD1-CG2 4.06Å; F87-V375 HydrophobicContact CE1-CG2 3.87Å; C346-V375 WeakPolarHBondContact CA-O 3.09Å; E347-V375 PolarHBondContact N-O 2.86Å; E347-V375 PolarHBondContact O-N 2.04Å; V349-V375 HydrophobicContact CB-CB 4.28Å; V349-V375 HydrophobicContact CB-CG2 4.09Å; V349-V375 HydrophobicContact CG2-CB 3.93Å; V349-V375 HydrophobicContact CG2-CG2 4.3Å; Q373-V375 PolarHBondContact O-N 3.35Å; V375-V377 HydrophobicContact CG1-CG1 4.36Å; V375-R383 HydrophobicContact CG1-CB 3.82Å; V375-R383 HydrophobicContact CG1-CG 4.15Å; V375-M384 WeakPolarHBondContact CG1-O 3.3Å
376	C	86.8	Confident	87.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.7	177.4	-63.2	0	0	0	0	110	C339 T345 R383 M384	C339-C376 WeakPolarHBondContact CA-SG 3.01Å; C339-C376 HydrophobicContact CB-CB 3.74Å; C339-C376 WeakPolarHBondContact CB-SG 3.44Å; C339-C376 WeakPolarHBondContact SG-CB 2.98Å; C339-C376 CovalentContact SG-SG 2.04Å; C339-C376 PolarHBondContact SG-SG 2.76Å; T345-C376 WeakPolarHBondContact O-CA 3.3Å; C376-R383 CarbonylContact O-C 3.56Å; C376-R383 WeakPolarHBondContact O-CA 3.34Å; C376-M384 HydrophobicContact CB-CB 4.17Å; C376-M384 WeakPolarHBondContact CB-O 3.48Å; C376-M384 PolarHBondContact N-O 3.2Å; C376-M384 PolarHBondContact O-N 3.31Å
377	V	86.3	Confident	87.2	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.8	-177.1	-56.2	0	0	0	0	111.7	T344 T345 E347 V375 T382 R383	T344-V377 CarbonylContact C-O 3.53Å; T344-V377 WeakPolarHBondContact CA-O 3.35Å; T344-V377 WeakPolarHBondContact CB-O 3.27Å; T345-V377 PolarHBondContact N-O 3.21Å; T345-V377 WeakPolarHBondContact O-CG2 3.4Å; T345-V377 PolarHBondContact O-N 2.95Å; E347-V377 HydrophobicContact CB-CG2 4.24Å; E347-V377 HydrophobicContact CG-CG2 3.7Å; E347-V377 VanDerWaalsContact OE1-CG2 3.26Å; E347-V377 WeakPolarHBondContact OE1-CG2 3.34Å; V375-V377 HydrophobicContact CG1-CG1 4.36Å; V377-T382 CarbonylContact C-O 3.38Å; V377-T382 WeakPolarHBondContact CA-O 3.33Å; V377-R383 HydrophobicContact CG1-CG 4.16Å
378	T	88.4	Confident	86.2	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.117	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	166.8	170.7	70.6	0	0	0	0	110.9	T344 R380 N381 T382	T344-T378 HydrophobicContact CG2-CG2 3.58Å; T378-R380 PolarHBondContact O-N 3.42Å; T378-R380 PolarHBondContact OG1-N 3.33Å; T378-N381 WeakPolarHBondContact O-CA 3.06Å; T378-N381 PolarHBondContact O-N 2.88Å; T378-T382 PolarHBondContact N-O 3.3Å; T378-T382 WeakPolarHBondContact OG1-CB 3.36Å; T378-T382 PolarHBondContact OG1-N 2.84Å; T378-T382 VanDerWaalsContact OG1-N 3.13Å; T378-T382 PolarHBondContact OG1-OG1 2.59Å
379	K	89.9	Confident	85.4	Confident	208 Å²	208	59.3 Å²	59.3	90%	0.904	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.7	168.5	-63.8	-174.6	179	-177.8	0	114.6
380	R	88.2	Confident	84.4	Confident	227 Å²	227	63 Å²	63	86%	0.857	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	16	175.3	-61.4	-176	-175.1	168.9	1.4	112.1	T378 T382	T378-R380 PolarHBondContact O-N 3.42Å; T378-R380 PolarHBondContact OG1-N 3.33Å; R380-T382 PolarHBondContact O-N 3.18Å; R380-T382 VanDerWaalsContact O-N 3.16Å
381	N	84.1	Confident	83.7	Confident	130 Å²	130	71.3 Å²	71.3	70%	0.695	35%	0.349	S	S	*	.			trans	57.7	23.2	-177.1	-63.2	-4.4	0	0	0	114.7	T378 R383	T378-N381 WeakPolarHBondContact O-CA 3.06Å; T378-N381 PolarHBondContact O-N 2.88Å; N381-R383 PolarHBondContact O-N 2.82Å
382	T	85.4	Confident	83.1	Confident	79 Å²	79	74.7 Å²	74.7	49%	0.485	37%	0.366	S	S	.	.			trans	-73.6	125.1	169.4	-46	0	0	0	0	108.7	V377 T378 R380	V377-T382 CarbonylContact C-O 3.38Å; V377-T382 WeakPolarHBondContact CA-O 3.33Å; T378-T382 PolarHBondContact N-O 3.3Å; T378-T382 WeakPolarHBondContact OG1-CB 3.36Å; T378-T382 PolarHBondContact OG1-N 2.84Å; T378-T382 VanDerWaalsContact OG1-N 3.13Å; T378-T382 PolarHBondContact OG1-OG1 2.59Å; R380-T382 PolarHBondContact O-N 3.18Å; R380-T382 VanDerWaalsContact O-N 3.16Å
383	R	82.9	Confident	82.8	Confident	113 Å²	113	72.4 Å²	72.4	43%	0.426	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.9	-178.4	-62.5	179.7	-179	178.4	-1.4	111.2	V375 C376 V377 N381	V375-R383 HydrophobicContact CG1-CB 3.82Å; V375-R383 HydrophobicContact CG1-CG 4.15Å; C376-R383 CarbonylContact O-C 3.56Å; C376-R383 WeakPolarHBondContact O-CA 3.34Å; V377-R383 HydrophobicContact CG1-CG 4.16Å; N381-R383 PolarHBondContact O-N 2.82Å
384	M	78.2	Confident	82.9	Confident	55 Å²	55	72.9 Å²	72.9	27%	0.271	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.3	179.4	-59.9	179.2	63.8	0	0	109	P340 K341 T344 V375 C376	P340-M384 HydrophobicContact CG-CE 3.79Å; K341-M384 HydrophobicContact CD-CE 4.08Å; K341-M384 HydrophobicContact CD-SD 4.19Å; K341-M384 HydrophobicContact CG-CE 4.35Å; T344-M384 HydrophobicContact CG2-SD 3.95Å; V375-M384 WeakPolarHBondContact CG1-O 3.3Å; C376-M384 HydrophobicContact CB-CB 4.17Å; C376-M384 WeakPolarHBondContact CB-O 3.48Å; C376-M384 PolarHBondContact N-O 3.2Å; C376-M384 PolarHBondContact O-N 3.31Å
385	A	80.8	Confident	83	Confident	64 Å²	64	76.5 Å²	76.5	53%	0.529	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-68.1	150	170.8	0	0	0	0	0	110.5
386	P	82.1	Confident	83.3	Confident	35 Å²	35	76.4 Å²	76.4	23%	0.227	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-58.5	160.7	164.8	-23.1	35	0	0	0	112.7	A337 K338 P374	A337-P386 HydrophobicContact CB-CB 4.04Å; A337-P386 HydrophobicContact CB-CG 3.97Å; K338-P386 CarbonylContact O-C 3.46Å; K338-P386 VanDerWaalsContact O-CA 3.27Å; K338-P386 WeakPolarHBondContact O-CA 3.26Å; K338-P386 WeakPolarHBondContact O-CB 3.39Å; P374-P386 WeakPolarHBondContact O-CG 3.47Å
387	D	80.6	Confident	83.7	Confident	80 Å²	80	76.5 Å²	76.5	43%	0.428	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-66.1	144.8	175.2	-74.6	-30.8	0	0	0	111.9	K338 P340	K338-D387 HydrophobicContact CB-CB 4.24Å; K338-D387 PolarHBondContact O-N 3.32Å; P340-D387 WeakPolarHBondContact CA-OD1 3.42Å; P340-D387 VanDerWaalsContact CA-OD2 3.26Å; P340-D387 WeakPolarHBondContact CA-OD2 3.39Å; P340-D387 WeakPolarHBondContact CB-OD1 3.24Å; P340-D387 WeakPolarHBondContact CD-OD1 3.49Å
388	I	70.5	Confident	83.9	Confident	45 Å²	45	80.9 Å²	80.9	23%	0.231	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-96.8	128.9	175.1	-62.6	152.7	0	0	0	108.8	F390 N422 P451	I388-F390 HydrophobicContact CB-CE1 4.27Å; I388-F390 HydrophobicContact CB-CE2 4.06Å; I388-F390 HydrophobicContact CB-CZ 3.92Å; I388-F390 HydrophobicContact CD1-CZ 4.15Å; I388-F390 HydrophobicContact CG2-CD1 3.97Å; I388-F390 HydrophobicContact CG2-CD2 4.5Å; I388-F390 HydrophobicContact CG2-CE1 3.75Å; I388-F390 HydrophobicContact CG2-CE2 4.3Å; I388-F390 HydrophobicContact CG2-CG 4.35Å; I388-F390 HydrophobicContact CG2-CZ 3.94Å; I388-F390 WeakPolarHBondContact O-CD2 3.41Å; I388-F390 PolarHBondContact O-N 2.97Å; I388-F390 VanDerWaalsContact O-N 3.13Å; I388-N422 HydrophobicContact CD1-CB 3.67Å; I388-N422 WeakPolarHBondContact CD1-ND2 3.12Å; I388-P451 HydrophobicContact CG2-CB 3.88Å; I388-P451 HydrophobicContact CG2-CG 3.58Å
389	E	73.9	Confident	84.1	Confident	88 Å²	88	82.8 Å²	82.8	41%	0.411	41%	0.408	S	S	.	.			trans	-84.4	81.3	177.2	-62.6	-167.3	168	0	0	111.7	K338 E391 N392	K338-E389 IonicContact NZ-OE1 3.58Å; K338-E389 PolarHBondContact NZ-OE1 3.13Å; E389-E391 PolarHBondContact O-N 3.46Å; E389-E391 VanDerWaalsContact O-N 3.07Å; E389-N392 PolarHBondContact O-N 3.3Å; E389-N392 PolarHBondContact OE2-ND2 3.31Å
390	F	72.9	Confident	84.2	Confident	80 Å²	80	77.3 Å²	77.3	35%	0.351	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-62.2	-14.9	-177.8	-64.8	-71	0	0	0	115.4	I388 N392 V393 K398 I419	I388-F390 HydrophobicContact CB-CE1 4.27Å; I388-F390 HydrophobicContact CB-CE2 4.06Å; I388-F390 HydrophobicContact CB-CZ 3.92Å; I388-F390 HydrophobicContact CD1-CZ 4.15Å; I388-F390 HydrophobicContact CG2-CD1 3.97Å; I388-F390 HydrophobicContact CG2-CD2 4.5Å; I388-F390 HydrophobicContact CG2-CE1 3.75Å; I388-F390 HydrophobicContact CG2-CE2 4.3Å; I388-F390 HydrophobicContact CG2-CG 4.35Å; I388-F390 HydrophobicContact CG2-CZ 3.94Å; I388-F390 WeakPolarHBondContact O-CD2 3.41Å; I388-F390 PolarHBondContact O-N 2.97Å; I388-F390 VanDerWaalsContact O-N 3.13Å; F390-N392 PolarHBondContact O-N 3.27Å; F390-V393 HydrophobicContact CD1-CG2 4.43Å; F390-V393 PolarHBondContact O-N 3.06Å; F390-K398 WeakPolarHBondContact O-CE 3.26Å; F390-K398 PolarHBondContact O-NZ 2.89Å; F390-I419 HydrophobicContact CB-CD1 4.42Å; F390-I419 HydrophobicContact CD1-CD1 3.77Å; F390-I419 HydrophobicContact CD1-CG1 3.44Å; F390-I419 VanDerWaalsContact CD1-CG1 3.44Å; F390-I419 HydrophobicContact CE1-CD1 4.38Å; F390-I419 HydrophobicContact CE1-CG1 3.57Å; F390-I419 WeakPolarHBondContact CE1-O 3.02Å; F390-I419 HydrophobicContact CG-CD1 4.31Å; F390-I419 HydrophobicContact CG-CG1 4.36Å
391	E	76.6	Confident	84.2	Confident	176 Å²	176	68.9 Å²	68.9	82%	0.822	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.3	-32.3	175.4	-169.1	169.1	-176.6	0	0	111.4	E389 V393	E389-E391 PolarHBondContact O-N 3.46Å; E389-E391 VanDerWaalsContact O-N 3.07Å; E391-V393 VanDerWaalsContact C-N 3.33Å; E391-V393 PolarHBondContact O-N 3.22Å
392	N	79.9	Confident	84.5	Confident	85 Å²	85	65.5 Å²	65.5	46%	0.455	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-82.7	-4.9	-177.2	-63.2	-46.2	0	0	0	114.3	E389 F390	E389-N392 PolarHBondContact O-N 3.3Å; E389-N392 PolarHBondContact OE2-ND2 3.31Å; F390-N392 PolarHBondContact O-N 3.27Å
393	V	85.5	Confident	84.7	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	34%	0.341	C	S	.	.	S	Bend	trans	-73.9	129.1	179.5	177.2	0	0	0	0	110.3	F390 E391 C397 K398 Y417 P451	F390-V393 HydrophobicContact CD1-CG2 4.43Å; F390-V393 PolarHBondContact O-N 3.06Å; E391-V393 VanDerWaalsContact C-N 3.33Å; E391-V393 PolarHBondContact O-N 3.22Å; V393-C397 HydrophobicContact CG1-CB 3.6Å; V393-K398 HydrophobicContact CG1-CG 4.1Å; V393-K398 WeakPolarHBondContact O-CE 3.1Å; V393-K398 PolarHBondContact O-NZ 3.46Å; V393-Y417 HydrophobicContact CG1-CD1 4.3Å; V393-Y417 HydrophobicContact CG1-CE1 4.02Å; V393-Y417 HydrophobicContact CG2-CE1 4.47Å; V393-P451 HydrophobicContact CG2-CG 3.5Å; V393-P451 VanDerWaalsContact CG2-CG 3.5Å
394	P	91.1	Very high	85	Confident	12 Å²	12	59 Å²	59	8%	0.078	33%	0.331	C	S	.	.			trans	-54.4	147.7	176.3	-24.8	33.2	0	0	0	113.1	E396 C397 K398	P394-E396 VanDerWaalsContact C-N 3.28Å; P394-E396 VanDerWaalsContact CB-CD 3.4Å; P394-E396 HydrophobicContact CB-CG 4.17Å; P394-E396 WeakPolarHBondContact CB-OE1 3.21Å; P394-E396 WeakPolarHBondContact CB-OE2 3.45Å; P394-E396 PolarHBondContact O-N 3.12Å; P394-C397 WeakPolarHBondContact O-CB 3.35Å; P394-C397 PolarHBondContact O-N 3.26Å; P394-C397 VanDerWaalsContact O-N 3.13Å; P394-K398 PolarHBondContact O-N 3.49Å
395	S	92.1	Very high	85.3	Confident	89 Å²	89	61 Å²	61	62%	0.622	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.7	-175.5	42.9	0	0	0	0	113.4	C397 K398	S395-C397 VanDerWaalsContact C-N 3.35Å; S395-K398 WeakPolarHBondContact O-CB 3Å; S395-K398 PolarHBondContact O-N 2.86Å
396	E	93.9	Very high	85.5	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.042	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62.2	-41.9	175.8	57.5	-84.9	-155.1	0	0	111.1	S256 P394 K398 Q399 D436 N437 H448	S256-E396 WeakPolarHBondContact CB-OE1 3.3Å; S256-E396 PolarHBondContact N-OE1 3.05Å; S256-E396 PolarHBondContact OG-OE1 2.82Å; P394-E396 VanDerWaalsContact C-N 3.28Å; P394-E396 VanDerWaalsContact CB-CD 3.4Å; P394-E396 HydrophobicContact CB-CG 4.17Å; P394-E396 WeakPolarHBondContact CB-OE1 3.21Å; P394-E396 WeakPolarHBondContact CB-OE2 3.45Å; P394-E396 PolarHBondContact O-N 3.12Å; E396-K398 PolarHBondContact O-N 2.82Å; E396-K398 VanDerWaalsContact O-N 3.12Å; E396-Q399 WeakPolarHBondContact O-CB 3.44Å; E396-Q399 WeakPolarHBondContact O-CG 3.41Å; E396-Q399 PolarHBondContact O-N 3.32Å; E396-D436 HydrophobicContact CB-CB 3.58Å; E396-N437 VanDerWaalsContact O-CB 3.25Å; E396-N437 WeakPolarHBondContact O-CB 3.44Å; E396-H448 IonicContact OE1-CE1 3.37Å; E396-H448 IonicContact OE1-NE2 3.75Å; E396-H448 PolarHBondContact OE1-NE2 2.79Å
397	C	94	Very high	85.4	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-67.5	-13.4	177.5	-55.8	0	0	0	0	113.4	V393 P394 S395 Y417 N437 H448 C449	V393-C397 HydrophobicContact CG1-CB 3.6Å; P394-C397 WeakPolarHBondContact O-CB 3.35Å; P394-C397 PolarHBondContact O-N 3.26Å; P394-C397 VanDerWaalsContact O-N 3.13Å; S395-C397 VanDerWaalsContact C-N 3.35Å; C397-Y417 HydrophobicContact CB-CD1 3.95Å; C397-Y417 HydrophobicContact CB-CG 4.29Å; C397-N437 PolarHBondContact O-ND2 2.94Å; C397-H448 VanDerWaalsContact SG-CD2 3.58Å; C397-C449 HydrophobicContact CB-CB 3.56Å; C397-C449 WeakPolarHBondContact CB-SG 2.92Å; C397-C449 WeakPolarHBondContact SG-CA 2.94Å; C397-C449 WeakPolarHBondContact SG-CB 3.16Å; C397-C449 CovalentContact SG-SG 2.03Å; C397-C449 PolarHBondContact SG-SG 2.78Å
398	K	91.7	Very high	85.5	Confident	100 Å²	100	64.8 Å²	64.8	44%	0.435	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-89.7	-7.6	175.9	-63.9	172.8	176	163	0	112.5	F390 V393 P394 S395 E396 I419	F390-K398 WeakPolarHBondContact O-CE 3.26Å; F390-K398 PolarHBondContact O-NZ 2.89Å; V393-K398 HydrophobicContact CG1-CG 4.1Å; V393-K398 WeakPolarHBondContact O-CE 3.1Å; V393-K398 PolarHBondContact O-NZ 3.46Å; P394-K398 PolarHBondContact O-N 3.49Å; S395-K398 WeakPolarHBondContact O-CB 3Å; S395-K398 PolarHBondContact O-N 2.86Å; E396-K398 PolarHBondContact O-N 2.82Å; E396-K398 VanDerWaalsContact O-N 3.12Å; K398-I419 HydrophobicContact CG-CD1 4.39Å
399	Q	92.1	Very high	86	Confident	59 Å²	59	72.2 Å²	72.2	28%	0.276	39%	0.385	S	S	.	.	S	Bend	trans	-74	146.5	178.6	-60.1	170.6	-8.6	0	0	110	E396 N435 N437	E396-Q399 WeakPolarHBondContact O-CB 3.44Å; E396-Q399 WeakPolarHBondContact O-CG 3.41Å; E396-Q399 PolarHBondContact O-N 3.32Å; Q399-N435 VanDerWaalsContact OE1-CB 3.3Å; Q399-N437 HydrophobicContact CB-CB 4.1Å; Q399-N437 PolarHBondContact O-ND2 2.91Å
400	P	90.9	Very high	86.5	Confident	93 Å²	93	74.7 Å²	74.7	60%	0.604	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65	160.7	174.1	29.2	-35.7	0	0	0	111.1	D402 N435	P400-D402 PolarHBondContact O-N 2.76Å; P400-N435 PolarHBondContact O-ND2 2.99Å
401	P	89.9	Confident	87.3	Confident	49 Å²	49	72.9 Å²	72.9	32%	0.318	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.2	135.9	170.1	25.4	-32.2	0	0	0	110.5	F416 F427	P401-F416 HydrophobicContact CB-CB 4.26Å; P401-F416 HydrophobicContact CB-CD1 3.7Å; P401-F416 HydrophobicContact CB-CD2 3.88Å; P401-F416 HydrophobicContact CB-CE1 3.92Å; P401-F416 HydrophobicContact CB-CE2 4.1Å; P401-F416 HydrophobicContact CB-CG 3.67Å; P401-F416 HydrophobicContact CB-CZ 4.11Å; P401-F416 HydrophobicContact CG-CD1 4.29Å; P401-F416 HydrophobicContact CG-CD2 4Å; P401-F416 HydrophobicContact CG-CE1 4.04Å; P401-F416 HydrophobicContact CG-CE2 3.75Å; P401-F416 HydrophobicContact CG-CG 4.27Å; P401-F416 HydrophobicContact CG-CZ 3.77Å; P401-F427 HydrophobicContact CB-CD2 4.42Å; P401-F427 HydrophobicContact CB-CG 4.43Å
402	D	89.7	Confident	87.8	Confident	59 Å²	59	66.1 Å²	66.1	32%	0.316	37%	0.369	S	S	.	.			trans	-125.3	106.4	176.2	-176.4	-5.5	0	0	0	110	P400 G404 F427 G434 N435	P400-D402 PolarHBondContact O-N 2.76Å; D402-G404 PolarHBondContact O-N 3.47Å; D402-G404 PolarHBondContact OD1-N 2.97Å; D402-F427 WeakPolarHBondContact O-CE2 3.37Å; D402-G434 VanDerWaalsContact CG-CA 3.46Å; D402-G434 VanDerWaalsContact OD2-C 3.31Å; D402-G434 WeakPolarHBondContact OD2-CA 3.38Å; D402-N435 HydrophobicContact CB-CB 4.29Å; D402-N435 WeakPolarHBondContact CB-ND2 3.37Å
403	A	89.7	Confident	88.3	Confident	35 Å²	35	67.1 Å²	67.1	29%	0.289	37%	0.371	S	S	.	.			trans	-67.3	-12.2	-179	0	0	0	0	0	113.2	Y428 F429 H430	A403-Y428 WeakPolarHBondContact CB-O 3.14Å; A403-F429 WeakPolarHBondContact O-CD2 3.25Å; A403-H430 WeakPolarHBondContact O-CB 3.39Å; A403-H430 PolarHBondContact O-N 3.2Å
404	G	88.6	Confident	88.6	Confident	20 Å²	20	67.5 Å²	67.5	21%	0.206	37%	0.373	C	S	.	.			trans	84.1	178.7	-174	0	0	0	0	0	113.4	D402 C432	D402-G404 PolarHBondContact O-N 3.47Å; D402-G404 PolarHBondContact OD1-N 2.97Å; G404-C432 WeakPolarHBondContact CA-O 3.3Å
405	S	84.5	Confident	88.7	Confident	97 Å²	97	68.5 Å²	68.5	68%	0.678	38%	0.376	S	S	*	.	S	Bend	trans	-106.5	-0.8	-173.2	-66.7	0	0	0	0	114.6	C432	S405-C432 PolarHBondContact N-O 2.88Å
406	C	85.5	Confident	88.7	Confident	18 Å²	18	64.8 Å²	64.8	12%	0.122	35%	0.349	C	S	.	.			trans	-89.9	153.7	-172.5	-76.3	0	0	0	0	112.4	I408 H430 C432	C406-I408 HydrophobicContact CB-CG2 4.38Å; C406-H430 HydrophobicContact CB-CB 4.23Å; C406-H430 WeakPolarHBondContact CB-O 3.34Å; C406-H430 WeakPolarHBondContact O-CB 3.4Å; C406-H430 VanDerWaalsContact O-CG 3.25Å; C406-H430 PolarHBondContact O-ND1 3.2Å; C406-C432 WeakPolarHBondContact CA-SG 3.42Å; C406-C432 HydrophobicContact CB-CB 3.94Å; C406-C432 WeakPolarHBondContact CB-SG 3.29Å; C406-C432 PolarHBondContact N-SG 3.11Å; C406-C432 WeakPolarHBondContact SG-CB 3.19Å; C406-C432 CovalentContact SG-SG 2.01Å; C406-C432 PolarHBondContact SG-SG 3.11Å
407	Q	79.5	Confident	88.5	Confident	195 Å²	195	64.5 Å²	64.5	91%	0.911	35%	0.348	S	S	*	.			trans	-110.6	84	172.2	-64.4	-176.6	5.6	0	0	108.7
408	I	82.8	Confident	88.1	Confident	46 Å²	46	65.1 Å²	65.1	24%	0.236	35%	0.351	C	S	.	.			trans	-100.3	148.9	173	62.2	171.1	0	0	0	110.2	C406 N410 H430 E431	C406-I408 HydrophobicContact CB-CG2 4.38Å; I408-N410 VanDerWaalsContact C-N 3.29Å; I408-N410 WeakPolarHBondContact CD1-O 3.39Å; I408-N410 PolarHBondContact O-N 3.42Å; I408-H430 WeakPolarHBondContact CD1-O 3.37Å; I408-H430 HydrophobicContact CG1-CB 4.31Å; I408-E431 HydrophobicContact CD1-CB 3.79Å; I408-E431 HydrophobicContact CD1-CG 3.38Å
409	K	82.2	Confident	87.5	Confident	202 Å²	202	63.2 Å²	63.2	88%	0.878	35%	0.345	S	S	*	.	S	Bend	trans	-69.8	-27.1	-178.9	-69.1	-176.7	178.9	179.5	0	113.1
410	N	84.4	Confident	86.9	Confident	139 Å²	139	64.9 Å²	64.9	74%	0.743	35%	0.352	S	S	*	.	S	Bend	trans	-131.2	81.7	-172.5	-63	84.2	0	0	0	109	I408	I408-N410 VanDerWaalsContact C-N 3.29Å; I408-N410 WeakPolarHBondContact CD1-O 3.39Å; I408-N410 PolarHBondContact O-N 3.42Å
411	P	88.1	Confident	86.2	Confident	43 Å²	43	61.3 Å²	61.3	28%	0.279	33%	0.329	S	S	.	.			trans	-67	146.6	176.5	29.3	-34.3	0	0	0	111.2	Y428 F429	P411-Y428 HydrophobicContact CB-CD1 4.4Å; P411-Y428 HydrophobicContact CG-CD1 3.95Å; P411-Y428 HydrophobicContact CG-CG 4.2Å; P411-F429 WeakPolarHBondContact CA-O 3.14Å; P411-F429 VanDerWaalsContact CB-O 3.29Å; P411-F429 WeakPolarHBondContact CB-O 3.44Å
412	S	88.5	Confident	85.7	Confident	33 Å²	33	60.5 Å²	60.5	23%	0.231	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	147.4	171.5	61.7	0	0	0	0	110.3	N414 Y428 F429 E431	S412-N414 PolarHBondContact OG-ND2 3.43Å; S412-Y428 WeakPolarHBondContact O-CA 3.38Å; S412-F429 PolarHBondContact N-O 3.21Å; S412-F429 PolarHBondContact O-N 3.43Å; S412-E431 WeakPolarHBondContact CB-OE1 2.93Å; S412-E431 PolarHBondContact OG-OE1 2.81Å
413	Q	88.7	Confident	85.4	Confident	106 Å²	106	59.5 Å²	59.5	50%	0.495	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.5	168.6	-176.3	178.7	-32.4	0	0	108.4
414	N	92.5	Very high	85.4	Confident	12 Å²	12	58 Å²	58	6%	0.064	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	175.3	174.2	-74.1	-32.5	0	0	0	110.2	S412 S426 F427 F429 R438 F439	S412-N414 PolarHBondContact OG-ND2 3.43Å; N414-S426 CarbonylContact O-C 3.48Å; N414-S426 VanDerWaalsContact O-CA 3.22Å; N414-S426 WeakPolarHBondContact O-CA 3.22Å; N414-F427 HydrophobicContact CB-CD1 4.26Å; N414-F427 HydrophobicContact CB-CE1 3.7Å; N414-F427 HydrophobicContact CB-CZ 4.1Å; N414-F427 PolarHBondContact N-O 2.48Å; N414-F427 WeakPolarHBondContact O-CD1 3Å; N414-F427 PolarHBondContact O-N 3.19Å; N414-F429 HydrophobicContact CB-CB 4.38Å; N414-F429 VanDerWaalsContact ND2-CB 3.28Å; N414-F429 WeakPolarHBondContact ND2-CB 3.43Å; N414-F429 WeakPolarHBondContact ND2-CD1 3.04Å; N414-R438 HydrophobicContact CB-CG 3.97Å; N414-F439 CarbonylContact C-O 3.51Å; N414-F439 WeakPolarHBondContact CA-O 3.45Å; N414-F439 WeakPolarHBondContact CB-O 3.41Å
415	F	92.4	Very high	85.3	Confident	34 Å²	34	59.5 Å²	59.5	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.1	177.8	-64	-94.5	0	0	0	110.1	C424 T425 F439 K442 C445	F415-C424 HydrophobicContact CB-CB 4.49Å; F415-T425 VanDerWaalsContact CA-O 3.3Å; F415-T425 WeakPolarHBondContact CA-O 3.32Å; F415-F439 HydrophobicContact CB-CB 4.46Å; F415-F439 PolarHBondContact N-O 3.42Å; F415-F439 PolarHBondContact O-N 2.85Å; F415-K442 HydrophobicContact CD1-CB 3.81Å; F415-K442 HydrophobicContact CD1-CG 4.24Å; F415-K442 HydrophobicContact CD2-CB 4.48Å; F415-K442 HydrophobicContact CE1-CB 3.7Å; F415-K442 HydrophobicContact CE1-CD 4.31Å; F415-K442 HydrophobicContact CE1-CG 4.31Å; F415-K442 HydrophobicContact CE2-CB 4.39Å; F415-K442 HydrophobicContact CG-CB 4.21Å; F415-K442 HydrophobicContact CZ-CB 4.01Å; F415-C445 HydrophobicContact CB-CB 4.14Å
416	F	93.2	Very high	85.5	Confident	11 Å²	11	57.8 Å²	57.8	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.7	168.6	76.6	-80.4	0	0	0	108.6	P401 D418 C424 T425 F427 N437	P401-F416 HydrophobicContact CB-CB 4.26Å; P401-F416 HydrophobicContact CB-CD1 3.7Å; P401-F416 HydrophobicContact CB-CD2 3.88Å; P401-F416 HydrophobicContact CB-CE1 3.92Å; P401-F416 HydrophobicContact CB-CE2 4.1Å; P401-F416 HydrophobicContact CB-CG 3.67Å; P401-F416 HydrophobicContact CB-CZ 4.11Å; P401-F416 HydrophobicContact CG-CD1 4.29Å; P401-F416 HydrophobicContact CG-CD2 4Å; P401-F416 HydrophobicContact CG-CE1 4.04Å; P401-F416 HydrophobicContact CG-CE2 3.75Å; P401-F416 HydrophobicContact CG-CG 4.27Å; P401-F416 HydrophobicContact CG-CZ 3.77Å; F416-D418 HydrophobicContact CD2-CB 4.44Å; F416-D418 HydrophobicContact CE2-CB 3.75Å; F416-D418 HydrophobicContact CZ-CB 4.26Å; F416-C424 CarbonylContact O-C 3.6Å; F416-C424 VanDerWaalsContact O-CA 3.32Å; F416-C424 WeakPolarHBondContact O-CA 3.19Å; F416-T425 WeakPolarHBondContact CD1-O 3.5Å; F416-T425 HydrophobicContact CE1-CG2 3.89Å; F416-T425 HydrophobicContact CZ-CG2 4.29Å; F416-T425 PolarHBondContact N-O 3.35Å; F416-T425 PolarHBondContact O-N 3.03Å; F416-F427 HydrophobicContact CB-CD1 4.09Å; F416-F427 HydrophobicContact CB-CE1 3.97Å; F416-F427 HydrophobicContact CD1-CB 4.11Å; F416-F427 AromaticContact CD1-CD1 3.7Å; F416-F427 HydrophobicContact CD1-CD1 3.7Å; F416-F427 HydrophobicContact CD1-CE1 4.43Å; F416-F427 HydrophobicContact CD1-CG 4.11Å; F416-F427 HydrophobicContact CE1-CB 4.31Å; F416-F427 HydrophobicContact CG-CD1 4.36Å; F416-N437 HydrophobicContact CB-CB 4.48Å; F416-N437 WeakPolarHBondContact CB-O 3.42Å
417	Y	89.2	Confident	85.6	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.2	172.8	-173.1	-107.4	0	0	0	109.9	V393 C397 I419 N422 N437 C449 P451	V393-Y417 HydrophobicContact CG1-CD1 4.3Å; V393-Y417 HydrophobicContact CG1-CE1 4.02Å; V393-Y417 HydrophobicContact CG2-CE1 4.47Å; C397-Y417 HydrophobicContact CB-CD1 3.95Å; C397-Y417 HydrophobicContact CB-CG 4.29Å; Y417-I419 HydrophobicContact CE1-CB 4.47Å; Y417-N422 PolarHBondContact OH-OD1 2.86Å; Y417-N437 PolarHBondContact N-ND2 2.67Å; Y417-N437 PolarHBondContact N-OD1 3.06Å; Y417-N437 PolarHBondContact O-ND2 2.01Å; Y417-C449 HydrophobicContact CD1-CB 3.83Å; Y417-C449 HydrophobicContact CD2-CB 3.37Å; Y417-C449 HydrophobicContact CE1-CB 4.34Å; Y417-C449 HydrophobicContact CE2-CB 3.93Å; Y417-C449 HydrophobicContact CG-CB 3.29Å; Y417-P451 WeakPolarHBondContact OH-CD 3.25Å
418	D	85.5	Confident	86	Confident	14 Å²	14	54.7 Å²	54.7	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.5	172.5	172.9	15.4	0	0	0	109.2	F416 E420 S421 N422 D423	F416-D418 HydrophobicContact CD2-CB 4.44Å; F416-D418 HydrophobicContact CE2-CB 3.75Å; F416-D418 HydrophobicContact CZ-CB 4.26Å; D418-E420 VanDerWaalsContact C-N 3.29Å; D418-E420 PolarHBondContact O-N 3.45Å; D418-E420 PolarHBondContact OD1-N 2.81Å; D418-S421 VanDerWaalsContact CB-OG 3.3Å; D418-S421 WeakPolarHBondContact CB-OG 3.37Å; D418-S421 PolarHBondContact O-N 3.42Å; D418-S421 WeakPolarHBondContact OD2-CB 3.46Å; D418-S421 PolarHBondContact OD2-N 2.99Å; D418-S421 PolarHBondContact OD2-OG 3.2Å; D418-N422 WeakPolarHBondContact O-CA 3.2Å; D418-N422 PolarHBondContact O-N 3.04Å; D418-D423 PolarHBondContact N-O 3.49Å; D418-D423 PolarHBondContact O-N 2.76Å
419	I	80	Confident	86.3	Confident	60 Å²	60	52.7 Å²	52.7	31%	0.308	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31	-178.5	-165.5	169.1	0	0	0	112.6	F390 K398 Y417	F390-I419 HydrophobicContact CB-CD1 4.42Å; F390-I419 HydrophobicContact CD1-CD1 3.77Å; F390-I419 HydrophobicContact CD1-CG1 3.44Å; F390-I419 VanDerWaalsContact CD1-CG1 3.44Å; F390-I419 HydrophobicContact CE1-CD1 4.38Å; F390-I419 HydrophobicContact CE1-CG1 3.57Å; F390-I419 WeakPolarHBondContact CE1-O 3.02Å; F390-I419 HydrophobicContact CG-CD1 4.31Å; F390-I419 HydrophobicContact CG-CG1 4.36Å; K398-I419 HydrophobicContact CG-CD1 4.39Å; Y417-I419 HydrophobicContact CE1-CB 4.47Å
420	E	79	Confident	86.6	Confident	94 Å²	94	45.5 Å²	45.5	44%	0.439	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-40.9	-178.1	-61.7	-168	170.9	0	0	110.4	H92 P95 D418	H92-E420 WeakPolarHBondContact CB-O 3.03Å; H92-E420 PolarHBondContact ND1-O 2.94Å; P95-E420 WeakPolarHBondContact CD-OE2 3.3Å; P95-E420 WeakPolarHBondContact CG-OE2 3.22Å; D418-E420 VanDerWaalsContact C-N 3.29Å; D418-E420 PolarHBondContact O-N 3.45Å; D418-E420 PolarHBondContact OD1-N 2.81Å
421	S	77	Confident	86.7	Confident	17 Å²	17	42.6 Å²	42.6	12%	0.119	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.8	174.8	67.7	0	0	0	0	115.6	H92 D418 D423	H92-S421 VanDerWaalsContact CB-CA 3.44Å; H92-S421 PolarHBondContact CD2-O 3.18Å; H92-S421 PolarHBondContact NE2-O 2.95Å; D418-S421 VanDerWaalsContact CB-OG 3.3Å; D418-S421 WeakPolarHBondContact CB-OG 3.37Å; D418-S421 PolarHBondContact O-N 3.42Å; D418-S421 WeakPolarHBondContact OD2-CB 3.46Å; D418-S421 PolarHBondContact OD2-N 2.99Å; D418-S421 PolarHBondContact OD2-OG 3.2Å; S421-D423 PolarHBondContact O-N 3.42Å
422	N	79.5	Confident	86.8	Confident	32 Å²	32	40.6 Å²	40.6	17%	0.171	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.8	-174.4	-170.6	70.9	0	0	0	111.9	I388 Y417 D418	I388-N422 HydrophobicContact CD1-CB 3.67Å; I388-N422 WeakPolarHBondContact CD1-ND2 3.12Å; Y417-N422 PolarHBondContact OH-OD1 2.86Å; D418-N422 WeakPolarHBondContact O-CA 3.2Å; D418-N422 PolarHBondContact O-N 3.04Å
423	D	83.8	Confident	86.9	Confident	39 Å²	39	39.3 Å²	39.3	21%	0.209	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160	-178.1	-164.7	16	0	0	0	110.3	D418 S421 K442	D418-D423 PolarHBondContact N-O 3.49Å; D418-D423 PolarHBondContact O-N 2.76Å; S421-D423 PolarHBondContact O-N 3.42Å; D423-K442 VanDerWaalsContact CG-NZ 3.29Å; D423-K442 WeakPolarHBondContact OD1-CE 3.21Å; D423-K442 IonicContact OD1-NZ 2.88Å; D423-K442 PolarHBondContact OD1-NZ 2.72Å; D423-K442 IonicContact OD2-NZ 3.95Å; D423-K442 PolarHBondContact OD2-NZ 3.35Å
424	C	88	Confident	86.9	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.6	174.4	-72.4	0	0	0	0	110.3	F415 F416 K442 C445 M446	F415-C424 HydrophobicContact CB-CB 4.49Å; F416-C424 CarbonylContact O-C 3.6Å; F416-C424 VanDerWaalsContact O-CA 3.32Å; F416-C424 WeakPolarHBondContact O-CA 3.19Å; C424-K442 HydrophobicContact CB-CG 3.98Å; C424-K442 WeakPolarHBondContact O-CE 2.98Å; C424-K442 PolarHBondContact O-NZ 2.97Å; C424-C445 HydrophobicContact CB-CB 3.65Å; C424-C445 WeakPolarHBondContact CB-SG 3.41Å; C424-C445 WeakPolarHBondContact SG-CB 3.2Å; C424-C445 CovalentContact SG-SG 2.01Å; C424-C445 PolarHBondContact SG-SG 2.82Å; C424-M446 HydrophobicContact CB-CG 3.93Å; C424-M446 HydrophobicContact CB-SD 3.73Å; C424-M446 PolarHBondContact N-SD 3.15Å; C424-M446 PolarHBondContact SG-N 2.69Å; C424-M446 PolarHBondContact SG-SD 2.81Å
425	T	86.4	Confident	87	Confident	53 Å²	53	35.4 Å²	35.4	33%	0.325	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141	-177.2	-63.1	0	0	0	0	110.3	F415 F416	F415-T425 VanDerWaalsContact CA-O 3.3Å; F415-T425 WeakPolarHBondContact CA-O 3.32Å; F416-T425 WeakPolarHBondContact CD1-O 3.5Å; F416-T425 HydrophobicContact CE1-CG2 3.89Å; F416-T425 HydrophobicContact CZ-CG2 4.29Å; F416-T425 PolarHBondContact N-O 3.35Å; F416-T425 PolarHBondContact O-N 3.03Å
426	S	89.3	Confident	87.1	Confident	60 Å²	60	34.6 Å²	34.6	42%	0.42	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	143.6	177.8	58.1	0	0	0	0	112	N414	N414-S426 CarbonylContact O-C 3.48Å; N414-S426 VanDerWaalsContact O-CA 3.22Å; N414-S426 WeakPolarHBondContact O-CA 3.22Å
427	F	87.5	Confident	87.2	Confident	19 Å²	19	34.1 Å²	34.1	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.8	171.4	77.6	-70.9	0	0	0	110.8	P401 D402 N414 F416 F429 R438	P401-F427 HydrophobicContact CB-CD2 4.42Å; P401-F427 HydrophobicContact CB-CG 4.43Å; D402-F427 WeakPolarHBondContact O-CE2 3.37Å; N414-F427 HydrophobicContact CB-CD1 4.26Å; N414-F427 HydrophobicContact CB-CE1 3.7Å; N414-F427 HydrophobicContact CB-CZ 4.1Å; N414-F427 PolarHBondContact N-O 2.48Å; N414-F427 WeakPolarHBondContact O-CD1 3Å; N414-F427 PolarHBondContact O-N 3.19Å; F416-F427 HydrophobicContact CB-CD1 4.09Å; F416-F427 HydrophobicContact CB-CE1 3.97Å; F416-F427 HydrophobicContact CD1-CB 4.11Å; F416-F427 AromaticContact CD1-CD1 3.7Å; F416-F427 HydrophobicContact CD1-CD1 3.7Å; F416-F427 HydrophobicContact CD1-CE1 4.43Å; F416-F427 HydrophobicContact CD1-CG 4.11Å; F416-F427 HydrophobicContact CE1-CB 4.31Å; F416-F427 HydrophobicContact CG-CD1 4.36Å; F427-F429 HydrophobicContact CE2-CB 4.09Å; F427-F429 HydrophobicContact CZ-CB 4.39Å; F427-R438 HydrophobicContact CE1-CG 4.33Å; F427-R438 HydrophobicContact CZ-CB 4.27Å; F427-R438 HydrophobicContact CZ-CG 3.88Å
428	Y	89.2	Confident	87.5	Confident	129 Å²	129	35.1 Å²	35.1	51%	0.506	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.3	176.6	-67.2	-66	0	0	0	110.4	A403 P411 S412	A403-Y428 WeakPolarHBondContact CB-O 3.14Å; P411-Y428 HydrophobicContact CB-CD1 4.4Å; P411-Y428 HydrophobicContact CG-CD1 3.95Å; P411-Y428 HydrophobicContact CG-CG 4.2Å; S412-Y428 WeakPolarHBondContact O-CA 3.38Å
429	F	87.2	Confident	88	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	175	177.3	-119.6	0	0	0	110.4	A250 A403 P411 S412 N414 F427 E431 C432	A250-F429 HydrophobicContact CB-CE1 4.36Å; A250-F429 HydrophobicContact CB-CZ 4.16Å; A403-F429 WeakPolarHBondContact O-CD2 3.25Å; P411-F429 WeakPolarHBondContact CA-O 3.14Å; P411-F429 VanDerWaalsContact CB-O 3.29Å; P411-F429 WeakPolarHBondContact CB-O 3.44Å; S412-F429 PolarHBondContact N-O 3.21Å; S412-F429 PolarHBondContact O-N 3.43Å; N414-F429 HydrophobicContact CB-CB 4.38Å; N414-F429 VanDerWaalsContact ND2-CB 3.28Å; N414-F429 WeakPolarHBondContact ND2-CB 3.43Å; N414-F429 WeakPolarHBondContact ND2-CD1 3.04Å; F427-F429 HydrophobicContact CE2-CB 4.09Å; F427-F429 HydrophobicContact CZ-CB 4.39Å; F429-E431 VanDerWaalsContact C-N 3.28Å; F429-E431 PolarHBondContact O-N 2.85Å; F429-C432 WeakPolarHBondContact CE2-O 3.42Å
430	H	89.3	Confident	88.6	Confident	52 Å²	52	36.4 Å²	36.4	24%	0.241	19%	0.191	C	C	.	.			trans	-90.5	18.9	-173.3	-72.3	-119.9	0	0	0	113.8	A403 C406 I408 C432	A403-H430 WeakPolarHBondContact O-CB 3.39Å; A403-H430 PolarHBondContact O-N 3.2Å; C406-H430 HydrophobicContact CB-CB 4.23Å; C406-H430 WeakPolarHBondContact CB-O 3.34Å; C406-H430 WeakPolarHBondContact O-CB 3.4Å; C406-H430 VanDerWaalsContact O-CG 3.25Å; C406-H430 PolarHBondContact O-ND1 3.2Å; I408-H430 WeakPolarHBondContact CD1-O 3.37Å; I408-H430 HydrophobicContact CG1-CB 4.31Å; H430-C432 PolarHBondContact O-N 3.48Å
431	E	87.2	Confident	89.2	Confident	77 Å²	77	35.1 Å²	35.1	36%	0.36	19%	0.19	S	C	.	.	S	Bend	trans	62.5	20.3	175.6	-55.9	-57	136.2	0	0	115.8	I408 S412 F429	I408-E431 HydrophobicContact CD1-CB 3.79Å; I408-E431 HydrophobicContact CD1-CG 3.38Å; S412-E431 WeakPolarHBondContact CB-OE1 2.93Å; S412-E431 PolarHBondContact OG-OE1 2.81Å; F429-E431 VanDerWaalsContact C-N 3.28Å; F429-E431 PolarHBondContact O-N 2.85Å
432	C	89.9	Confident	89.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.192	C	C	.	.	S	Bend	trans	-150.7	158.6	165.3	75.9	0	0	0	0	115	E248 G404 S405 C406 F429 H430 G434	E248-C432 WeakPolarHBondContact O-CB 3.27Å; G404-C432 WeakPolarHBondContact CA-O 3.3Å; S405-C432 PolarHBondContact N-O 2.88Å; C406-C432 WeakPolarHBondContact CA-SG 3.42Å; C406-C432 HydrophobicContact CB-CB 3.94Å; C406-C432 WeakPolarHBondContact CB-SG 3.29Å; C406-C432 PolarHBondContact N-SG 3.11Å; C406-C432 WeakPolarHBondContact SG-CB 3.19Å; C406-C432 CovalentContact SG-SG 2.01Å; C406-C432 PolarHBondContact SG-SG 3.11Å; F429-C432 WeakPolarHBondContact CE2-O 3.42Å; H430-C432 PolarHBondContact O-N 3.48Å; C432-G434 PolarHBondContact O-N 2.84Å
433	G	89.4	Confident	90.3	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	59.8	-131.7	-174.6	0	0	0	0	0	110.6	E249 R251	E249-G433 PolarHBondContact O-N 3.3Å; E249-G433 VanDerWaalsContact O-N 3.14Å; R251-G433 WeakPolarHBondContact CB-O 3.06Å; R251-G433 PolarHBondContact N-O 3.07Å
434	G	89.8	Confident	90.7	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	20%	0.204	C	C	.	.			trans	85	177.2	179.4	0	0	0	0	0	113	R251 D402 C432	R251-G434 WeakPolarHBondContact CD-O 3.28Å; D402-G434 VanDerWaalsContact CG-CA 3.46Å; D402-G434 VanDerWaalsContact OD2-C 3.31Å; D402-G434 WeakPolarHBondContact OD2-CA 3.38Å; C432-G434 PolarHBondContact O-N 2.84Å
435	N	93.6	Very high	91	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.134	20%	0.203	C	C	.	.			trans	-124.1	-173.6	175.1	71.3	28.4	0	0	0	111.8	Q399 P400 D402 N437 R438	Q399-N435 VanDerWaalsContact OE1-CB 3.3Å; P400-N435 PolarHBondContact O-ND2 2.99Å; D402-N435 HydrophobicContact CB-CB 4.29Å; D402-N435 WeakPolarHBondContact CB-ND2 3.37Å; N435-N437 PolarHBondContact OD1-N 3.14Å; N435-R438 PolarHBondContact O-NH1 3.29Å
436	D	95.7	Very high	91.2	Very high	18 Å²	18	35.9 Å²	35.9	10%	0.096	19%	0.189	C	C	.	.	S	Bend	trans	-83.3	-12.1	-169.9	-60.7	-41	0	0	0	112.9	R251 V253 Y254 H255 E396 R438	R251-D436 IonicContact NH2-OD2 3.81Å; V253-D436 HydrophobicContact CG1-CB 4.36Å; Y254-D436 PolarHBondContact N-OD1 2.88Å; H255-D436 PolarHBondContact CD2-O 2.86Å; H255-D436 PolarHBondContact NE2-O 3.31Å; E396-D436 HydrophobicContact CB-CB 3.58Å; D436-R438 PolarHBondContact O-N 3Å
437	N	96	Very high	91.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-77.7	55.8	171.9	-158.1	2.1	0	0	0	111.7	E396 C397 Q399 F416 Y417 N435	E396-N437 VanDerWaalsContact O-CB 3.25Å; E396-N437 WeakPolarHBondContact O-CB 3.44Å; C397-N437 PolarHBondContact O-ND2 2.94Å; Q399-N437 HydrophobicContact CB-CB 4.1Å; Q399-N437 PolarHBondContact O-ND2 2.91Å; F416-N437 HydrophobicContact CB-CB 4.48Å; F416-N437 WeakPolarHBondContact CB-O 3.42Å; Y417-N437 PolarHBondContact N-ND2 2.67Å; Y417-N437 PolarHBondContact N-OD1 3.06Å; Y417-N437 PolarHBondContact O-ND2 2.01Å; N435-N437 PolarHBondContact OD1-N 3.14Å
438	R	94.3	Very high	91.4	Very high	24 Å²	24	33.3 Å²	33.3	9%	0.091	17%	0.172	C	C	.	.			trans	-140.1	118.9	-176	-173.9	170.7	77.6	-111.4	14.4	109.5	R251 V253 H255 N414 F427 N435 D436	R251-R438 PolarHBondContact O-NH2 3.06Å; V253-R438 HydrophobicContact CG2-CB 4.32Å; H255-R438 PolarHBondContact NE2-O 3.41Å; N414-R438 HydrophobicContact CB-CG 3.97Å; F427-R438 HydrophobicContact CE1-CG 4.33Å; F427-R438 HydrophobicContact CZ-CB 4.27Å; F427-R438 HydrophobicContact CZ-CG 3.88Å; N435-R438 PolarHBondContact O-NH1 3.29Å; D436-R438 PolarHBondContact O-N 3Å
439	F	95.3	Very high	91.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-130	145.5	-178.2	-58.7	-89.3	0	0	0	109.7	H255 N414 F415 E444 C445 H448 C449	H255-F439 AromaticContact CD2-CE1 3.51Å; H255-F439 AromaticContact CD2-CZ 3.65Å; H255-F439 AromaticContact CE1-CD1 3.39Å; H255-F439 WeakPolarHBondContact CE1-CD1 3.36Å; H255-F439 AromaticContact CE1-CE1 3.24Å; H255-F439 WeakPolarHBondContact CE1-CE1 3.49Å; H255-F439 AromaticContact CG-CE1 3.79Å; H255-F439 AromaticContact ND1-CE1 3.67Å; H255-F439 AromaticContact NE2-CD1 3.58Å; H255-F439 AromaticContact NE2-CE1 3.12Å; H255-F439 WeakPolarHBondContact NE2-CE1 3.41Å; H255-F439 AromaticContact NE2-CZ 3.41Å; H255-F439 WeakPolarHBondContact NE2-CZ 3.47Å; N414-F439 CarbonylContact C-O 3.51Å; N414-F439 WeakPolarHBondContact CA-O 3.45Å; N414-F439 WeakPolarHBondContact CB-O 3.41Å; F415-F439 HydrophobicContact CB-CB 4.46Å; F415-F439 PolarHBondContact N-O 3.42Å; F415-F439 PolarHBondContact O-N 2.85Å; F439-E444 HydrophobicContact CD1-CG 3.92Å; F439-C445 HydrophobicContact CB-CB 3.64Å; F439-C445 HydrophobicContact CD1-CB 4.24Å; F439-C445 HydrophobicContact CD2-CB 3.57Å; F439-C445 VanDerWaalsContact CD2-SG 3.56Å; F439-C445 HydrophobicContact CE2-CB 4.33Å; F439-C445 HydrophobicContact CG-CB 3.53Å; F439-H448 HydrophobicContact CE1-CB 3.82Å; F439-H448 AromaticContact CE1-CD2 3.73Å; F439-H448 AromaticContact CE1-CG 3.95Å; F439-H448 HydrophobicContact CZ-CB 4.24Å; F439-H448 AromaticContact CZ-CD2 3.57Å; F439-C449 VanDerWaalsContact CZ-SG 3.53Å
440	V	92.6	Very high	91.4	Very high	100 Å²	100	27.1 Å²	27.1	61%	0.606	15%	0.149	S	C	*	.	S	Bend	trans	-75.7	-35	-178.7	180	0	0	0	0	110.5	E444	V440-E444 PolarHBondContact N-OE2 2.81Å
441	T	92.7	Very high	90.8	Very high	67 Å²	67	26 Å²	26	41%	0.411	15%	0.146	S	C	.	.	S	Bend	trans	-123.5	149.1	-178.5	73	0	0	0	0	112.4	S443 E444 C445	T441-S443 PolarHBondContact O-N 2.58Å; T441-E444 PolarHBondContact O-N 3.47Å; T441-E444 VanDerWaalsContact OG1-CB 3.24Å; T441-E444 WeakPolarHBondContact OG1-CB 3.2Å; T441-E444 PolarHBondContact OG1-N 3.28Å; T441-E444 VanDerWaalsContact OG1-N 3.15Å; T441-C445 PolarHBondContact O-N 2.71Å; T441-C445 VanDerWaalsContact O-N 3.1Å
442	K	88.9	Confident	90.9	Very high	38 Å²	38	23.5 Å²	23.5	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-38.9	173	-172.4	164.6	-179.6	162.1	0	112.1	W303 F415 D423 C424 C445 M446	W303-K442 HydrophobicContact CH2-CB 4.1Å; W303-K442 HydrophobicContact CH2-CD 3.71Å; W303-K442 HydrophobicContact CH2-CG 3.72Å; W303-K442 HydrophobicContact CZ2-CD 3.72Å; W303-K442 HydrophobicContact CZ2-CG 3.93Å; W303-K442 HydrophobicContact CZ3-CB 4.22Å; W303-K442 HydrophobicContact CZ3-CG 4.14Å; F415-K442 HydrophobicContact CD1-CB 3.81Å; F415-K442 HydrophobicContact CD1-CG 4.24Å; F415-K442 HydrophobicContact CD2-CB 4.48Å; F415-K442 HydrophobicContact CE1-CB 3.7Å; F415-K442 HydrophobicContact CE1-CD 4.31Å; F415-K442 HydrophobicContact CE1-CG 4.31Å; F415-K442 HydrophobicContact CE2-CB 4.39Å; F415-K442 HydrophobicContact CG-CB 4.21Å; F415-K442 HydrophobicContact CZ-CB 4.01Å; D423-K442 VanDerWaalsContact CG-NZ 3.29Å; D423-K442 WeakPolarHBondContact OD1-CE 3.21Å; D423-K442 IonicContact OD1-NZ 2.88Å; D423-K442 PolarHBondContact OD1-NZ 2.72Å; D423-K442 IonicContact OD2-NZ 3.95Å; D423-K442 PolarHBondContact OD2-NZ 3.35Å; C424-K442 HydrophobicContact CB-CG 3.98Å; C424-K442 WeakPolarHBondContact O-CE 2.98Å; C424-K442 PolarHBondContact O-NZ 2.97Å; K442-C445 PolarHBondContact O-N 3.14Å; K442-M446 HydrophobicContact CG-CG 4.1Å; K442-M446 WeakPolarHBondContact O-CB 3.48Å; K442-M446 VanDerWaalsContact O-CG 3.27Å; K442-M446 WeakPolarHBondContact O-CG 3.47Å; K442-M446 PolarHBondContact O-N 3.23Å
443	S	90.5	Very high	91	Very high	35 Å²	35	24.6 Å²	24.6	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-64.9	-41	-179.5	-175.8	0	0	0	0	112.5	W303 T441 S447	W303-S443 VanDerWaalsContact CE3-CA 3.48Å; W303-S443 PolarHBondContact O-OG 2.76Å; T441-S443 PolarHBondContact O-N 2.58Å; S443-S447 WeakPolarHBondContact O-CB 3.49Å; S443-S447 PolarHBondContact O-N 2.94Å; S443-S447 PolarHBondContact O-OG 2.82Å
444	E	92	Very high	91.1	Very high	81 Å²	81	25.7 Å²	25.7	38%	0.379	15%	0.146	S	C	.	.	H	α-helix	trans	-63	-50.3	174.9	-174.5	-171.2	-174.6	0	0	110.9	F439 V440 T441 M446 S447 H448	F439-E444 HydrophobicContact CD1-CG 3.92Å; V440-E444 PolarHBondContact N-OE2 2.81Å; T441-E444 PolarHBondContact O-N 3.47Å; T441-E444 VanDerWaalsContact OG1-CB 3.24Å; T441-E444 WeakPolarHBondContact OG1-CB 3.2Å; T441-E444 PolarHBondContact OG1-N 3.28Å; T441-E444 VanDerWaalsContact OG1-N 3.15Å; E444-M446 PolarHBondContact O-N 2.95Å; E444-S447 PolarHBondContact O-N 2.74Å; E444-H448 WeakPolarHBondContact O-CB 3.44Å; E444-H448 PolarHBondContact O-N 2.94Å
445	C	93.8	Very high	91.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.6	-51.3	176.6	179.9	0	0	0	0	112.1	F415 C424 F439 T441 K442 S447 H448 C449	F415-C445 HydrophobicContact CB-CB 4.14Å; C424-C445 HydrophobicContact CB-CB 3.65Å; C424-C445 WeakPolarHBondContact CB-SG 3.41Å; C424-C445 WeakPolarHBondContact SG-CB 3.2Å; C424-C445 CovalentContact SG-SG 2.01Å; C424-C445 PolarHBondContact SG-SG 2.82Å; F439-C445 HydrophobicContact CB-CB 3.64Å; F439-C445 HydrophobicContact CD1-CB 4.24Å; F439-C445 HydrophobicContact CD2-CB 3.57Å; F439-C445 VanDerWaalsContact CD2-SG 3.56Å; F439-C445 HydrophobicContact CE2-CB 4.33Å; F439-C445 HydrophobicContact CG-CB 3.53Å; T441-C445 PolarHBondContact O-N 2.71Å; T441-C445 VanDerWaalsContact O-N 3.1Å; K442-C445 PolarHBondContact O-N 3.14Å; C445-S447 PolarHBondContact O-N 3.44Å; C445-H448 PolarHBondContact O-N 3.16Å; C445-C449 WeakPolarHBondContact O-CB 3.13Å; C445-C449 PolarHBondContact O-N 2.9Å
446	M	90.4	Very high	91	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-42.7	-179.3	-70.9	-60.1	-74.4	0	0	111.3	W292 W303 C424 K442 E444 H448 S450	W292-M446 HydrophobicContact CZ2-CE 4.43Å; W303-M446 HydrophobicContact CB-CB 3.63Å; W303-M446 HydrophobicContact CB-CG 4.46Å; W303-M446 HydrophobicContact CD2-CB 4.01Å; W303-M446 HydrophobicContact CD2-CG 3.95Å; W303-M446 HydrophobicContact CG-CB 3.53Å; W303-M446 HydrophobicContact CG-CG 3.83Å; C424-M446 HydrophobicContact CB-CG 3.93Å; C424-M446 HydrophobicContact CB-SD 3.73Å; C424-M446 PolarHBondContact N-SD 3.15Å; C424-M446 PolarHBondContact SG-N 2.69Å; C424-M446 PolarHBondContact SG-SD 2.81Å; K442-M446 HydrophobicContact CG-CG 4.1Å; K442-M446 WeakPolarHBondContact O-CB 3.48Å; K442-M446 VanDerWaalsContact O-CG 3.27Å; K442-M446 WeakPolarHBondContact O-CG 3.47Å; K442-M446 PolarHBondContact O-N 3.23Å; E444-M446 PolarHBondContact O-N 2.95Å; M446-H448 PolarHBondContact O-N 2.99Å; M446-S450 WeakPolarHBondContact O-CB 3.36Å; M446-S450 PolarHBondContact O-N 3.04Å
447	S	89.4	Confident	90.7	Very high	17 Å²	17	27.2 Å²	27.2	12%	0.119	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-27.8	179.1	-58.8	0	0	0	0	112.2	W260 R319 S443 E444 C445	W260-S447 PolarHBondContact NE1-O 3.13Å; R319-S447 PolarHBondContact NH1-O 2.93Å; S443-S447 WeakPolarHBondContact O-CB 3.49Å; S443-S447 PolarHBondContact O-N 2.94Å; S443-S447 PolarHBondContact O-OG 2.82Å; E444-S447 PolarHBondContact O-N 2.74Å; C445-S447 PolarHBondContact O-N 3.44Å
448	H	91.3	Very high	90.3	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-86.7	-44.8	178.5	-170.8	57.3	0	0	0	113.2	S256 W260 E396 C397 F439 E444 C445 M446	S256-H448 PolarHBondContact O-CE1 3.31Å; W260-H448 VanDerWaalsContact CZ2-O 3.31Å; W260-H448 WeakPolarHBondContact CZ2-O 3.15Å; W260-H448 PolarHBondContact NE1-O 3.22Å; E396-H448 IonicContact OE1-CE1 3.37Å; E396-H448 IonicContact OE1-NE2 3.75Å; E396-H448 PolarHBondContact OE1-NE2 2.79Å; C397-H448 VanDerWaalsContact SG-CD2 3.58Å; F439-H448 HydrophobicContact CE1-CB 3.82Å; F439-H448 AromaticContact CE1-CD2 3.73Å; F439-H448 AromaticContact CE1-CG 3.95Å; F439-H448 HydrophobicContact CZ-CB 4.24Å; F439-H448 AromaticContact CZ-CD2 3.57Å; E444-H448 WeakPolarHBondContact O-CB 3.44Å; E444-H448 PolarHBondContact O-N 2.94Å; C445-H448 PolarHBondContact O-N 3.16Å; M446-H448 PolarHBondContact O-N 2.99Å
449	C	90.7	Very high	90	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-103.1	-23.4	-166.4	-63.9	0	0	0	0	115.3	C397 Y417 F439 C445 P451	C397-C449 HydrophobicContact CB-CB 3.56Å; C397-C449 WeakPolarHBondContact CB-SG 2.92Å; C397-C449 WeakPolarHBondContact SG-CA 2.94Å; C397-C449 WeakPolarHBondContact SG-CB 3.16Å; C397-C449 CovalentContact SG-SG 2.03Å; C397-C449 PolarHBondContact SG-SG 2.78Å; Y417-C449 HydrophobicContact CD1-CB 3.83Å; Y417-C449 HydrophobicContact CD2-CB 3.37Å; Y417-C449 HydrophobicContact CE1-CB 4.34Å; Y417-C449 HydrophobicContact CE2-CB 3.93Å; Y417-C449 HydrophobicContact CG-CB 3.29Å; F439-C449 VanDerWaalsContact CZ-SG 3.53Å; C445-C449 WeakPolarHBondContact O-CB 3.13Å; C445-C449 PolarHBondContact O-N 2.9Å; C449-P451 WeakPolarHBondContact O-CD 3.48Å
450	S	86.3	Confident	89.6	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.028	18%	0.183	C	C	.	.			trans	-78.9	125.5	-173.1	-167	0	0	0	0	111.7	W260 W292 R319 M446	W260-S450 WeakPolarHBondContact CH2-O 2.9Å; W260-S450 VanDerWaalsContact CZ2-O 3.27Å; W260-S450 WeakPolarHBondContact CZ2-O 3.43Å; W292-S450 WeakPolarHBondContact CZ2-OG 3.4Å; R319-S450 WeakPolarHBondContact CD-O 2.9Å; R319-S450 PolarHBondContact NH1-O 3.16Å; M446-S450 WeakPolarHBondContact O-CB 3.36Å; M446-S450 PolarHBondContact O-N 3.04Å
451	P	76.1	Confident	89.3	Confident	28 Å²	28	25.6 Å²	25.6	18%	0.182	14%	0.144	C	C	.	.			trans	-63.3	0	177.5	-26.4	37.9	0	0	0	115.9	R319 I388 V393 Y417 C449	R319-P451 WeakPolarHBondContact CB-O 3.46Å; R319-P451 VanDerWaalsContact CD-C 3.48Å; R319-P451 WeakPolarHBondContact CD-O 3.28Å; R319-P451 WeakPolarHBondContact CD-OXT 3.39Å; I388-P451 HydrophobicContact CG2-CB 3.88Å; I388-P451 HydrophobicContact CG2-CG 3.58Å; V393-P451 HydrophobicContact CG2-CG 3.5Å; V393-P451 VanDerWaalsContact CG2-CG 3.5Å; Y417-P451 WeakPolarHBondContact OH-CD 3.25Å; C449-P451 WeakPolarHBondContact O-CD 3.48Å

Retrieved 451 of 451 residues in 126 ms (Link to these results)

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