A0A087YHM3_POEFO Loading...

Fibronectin type III and SPRY domain containing 2

AlphaFold DB , UniProt , Accession A0A087YHM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 624 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	33.6	Very low	28.2	Very low	238 Å²	238	154.6 Å²	154.6	100%	1.172	82%	0.815	S	S	*	*				0	115.6	0	-76.4	177.7	-170.8	0	0	106.7
2	D	27.2	Very low	28	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	82%	0.82	S	S	*	*			trans	43.7	147.8	134.5	-70.2	8	0	0	0	120.3
3	L	24.9	Very low	27.9	Very low	137 Å²	137	147.7 Å²	147.7	72%	0.717	81%	0.81	S	S	*	*			cis	-179.3	144.5	-17.6	-135.3	138.5	0	0	0	102.8
4	N	28.7	Very low	27.8	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	81%	0.805	S	S	*	*			trans	0.6	138	161.3	-62.1	-24.9	0	0	0	121
5	D	30.6	Very low	27.7	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	79%	0.792	S	S	*	*				-175.7	110.7	117.2	-100.8	-16.9	0	0	0	109.9
6	I	33.6	Very low	27.6	Very low	121 Å²	121	145.2 Å²	145.2	62%	0.621	79%	0.792	S	S	*	*				82	124.3	72.8	-71	-176.4	0	0	0	114.1
7	R	28	Very low	27.4	Very low	240 Å²	240	146.2 Å²	146.2	91%	0.906	79%	0.791	S	S	*	*			trans	70.2	121	158.7	-76.1	162.1	-167.4	-145.8	0.4	116.4
8	G	26.2	Very low	27.2	Very low	83 Å²	83	143.2 Å²	143.2	86%	0.856	78%	0.782	S	S	*	*			cis	101.5	136.4	47.8	0	0	0	0	0	107.5
9	G	25.6	Very low	27	Very low	74 Å²	74	143.9 Å²	143.9	76%	0.763	78%	0.78	S	S	*	*			cis	175.6	-174.6	1.2	0	0	0	0	0	107.7
10	R	26.7	Very low	26.8	Very low	236 Å²	236	144.2 Å²	144.2	89%	0.891	78%	0.776	S	S	*	*			trans	76.4	105.9	169.4	-88.9	174.1	163.6	179.5	-2.7	117.5
11	L	25.6	Very low	26.7	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	78%	0.777	S	S	*	*				73.5	113.7	72.3	-88.8	139.7	0	0	0	113.9	V13	L11-V13 HydrophobicContact CD2-CG2 4.12Å
12	A	25	Very low	26.2	Very low	105 Å²	105	140.5 Å²	140.5	87%	0.868	76%	0.755	S	S	*	*			trans	-150.5	108.9	134.1	0	0	0	0	0	108.8
13	V	26.7	Very low	26	Very low	114 Å²	114	141.7 Å²	141.7	69%	0.691	75%	0.753	S	S	*	*			trans	-78.1	149.5	157.4	-173	0	0	0	0	105.5	L11	L11-V13 HydrophobicContact CD2-CG2 4.12Å
14	I	27.6	Very low	26.1	Very low	144 Å²	144	139.6 Å²	139.6	74%	0.738	75%	0.75	S	S	*	*				156.7	141	96.3	-55.2	165.1	0	0	0	100.9
15	S	26.1	Very low	25.9	Very low	88 Å²	88	144 Å²	144	62%	0.615	76%	0.757	S	S	*	*			cis	-179.6	141.3	37.5	0.8	0	0	0	0	105.2
16	E	25.6	Very low	25.6	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	76%	0.758	S	S	*	*				61.4	129.2	106.5	-64.6	178.4	156	0	0	113.8
17	E	24.6	Very low	25.2	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.762	77%	0.766	S	S	*	*			cis	-172.3	155.1	41.9	-136.4	171.4	-168.7	0	0	109
18	S	23.1	Very low	25.2	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	76%	0.761	S	S	*	*			trans	32.6	144.6	141.7	59.3	0	0	0	0	120.8
19	E	24.3	Very low	25.2	Very low	158 Å²	158	140.4 Å²	140.4	74%	0.738	75%	0.754	S	S	*	*			cis	-175.5	161.7	17.7	-123.8	175.2	-165.4	0	0	109
20	Q	22.6	Very low	25.3	Very low	149 Å²	149	146.2 Å²	146.2	70%	0.696	76%	0.764	S	S	*	*			trans	89.7	114.9	146.3	-76.3	165.9	14.4	0	0	123.7
21	Q	24.1	Very low	25.3	Very low	171 Å²	171	143.3 Å²	143.3	80%	0.799	76%	0.76	S	S	*	*			trans	84.5	90.7	131.9	-75.6	179.7	0.3	0	0	121.6
22	D	24.4	Very low	25.4	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	75%	0.753	S	S	*	*				45.5	111.6	101.6	-136.1	8.1	0	0	0	119.7
23	F	23	Very low	25.4	Very low	175 Å²	175	146 Å²	146	77%	0.768	76%	0.756	S	S	*	*				175	121.2	104.4	-109.4	-97.9	0	0	0	111.5
24	S	25.3	Very low	25.3	Very low	93 Å²	93	147 Å²	147	65%	0.65	76%	0.757	S	S	*	*			trans	50.8	122.7	139.9	-44.4	0	0	0	0	122.6
25	R	25.3	Very low	25.2	Very low	222 Å²	222	146.3 Å²	146.3	84%	0.838	76%	0.759	S	S	*	*				168.8	145.5	104.5	-106.2	-179.3	165.9	154.3	-5.4	113.6
26	E	25.3	Very low	25.2	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	76%	0.759	S	S	*	*			trans	73.9	104.1	155.3	-69.1	168.1	-168.5	0	0	117.9
27	S	25.2	Very low	25.4	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	75%	0.754	S	S	*	*				78.8	105.4	70.8	-171	0	0	0	0	113.2
28	S	27.7	Very low	25.4	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	76%	0.757	S	S	*	*			trans	-154	80.2	160.1	172.3	0	0	0	0	109.1
29	T	26.3	Very low	25.9	Very low	117 Å²	117	145.7 Å²	145.7	72%	0.718	76%	0.763	S	S	*	*			trans	1.4	116.4	151.8	48.1	0	0	0	0	117.7
30	M	26.9	Very low	26.2	Very low	196 Å²	196	141.5 Å²	141.5	97%	0.966	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-91.2	117.6	157.5	-165.7	161.5	174.7	0	0	107
31	E	27.9	Very low	26.5	Very low	176 Å²	176	137 Å²	137	82%	0.822	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-61.4	132.9	-169.3	-69.7	172	143.6	0	0	112.5	Y33	E31-Y33 PolarHBondContact O-N 3.49Å
32	A	25.8	Very low	26.9	Very low	76 Å²	76	139 Å²	139	63%	0.628	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-59.8	127.6	166.9	0	0	0	0	0	109.5	N34	A32-N34 PolarHBondContact O-N 3.25Å
33	Y	24.8	Very low	27.1	Very low	234 Å²	234	138.8 Å²	138.8	92%	0.918	76%	0.759	S	S	*	*			trans	-69.2	81	159	-89.4	-90.1	0	0	0	108.1	E31 V35	E31-Y33 PolarHBondContact O-N 3.49Å; Y33-V35 PolarHBondContact O-N 3.12Å; Y33-V35 VanDerWaalsContact O-N 3.1Å
34	N	24.8	Very low	27.5	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	76%	0.757	S	S	*	*			trans	-66.3	98.1	159.8	-80.7	-32.7	0	0	0	107.2	A32 V36	A32-N34 PolarHBondContact O-N 3.25Å; N34-V36 HydrophobicContact CB-CG2 4.29Å; N34-V36 PolarHBondContact O-N 2.91Å
35	V	26.3	Very low	27.7	Very low	131 Å²	131	142.1 Å²	142.1	79%	0.794	77%	0.765	S	S	*	*			trans	-69	92.6	149.4	177.4	0	0	0	0	104.7	Y33 P37	Y33-V35 PolarHBondContact O-N 3.12Å; Y33-V35 VanDerWaalsContact O-N 3.1Å; V35-P37 WeakPolarHBondContact O-CD 3.17Å
36	V	26.9	Very low	27.9	Very low	99 Å²	99	142 Å²	142	60%	0.6	76%	0.764	S	S	*	*			trans	-59.6	113.6	163.3	175.6	0	0	0	0	105.5	N34 E38	N34-V36 HydrophobicContact CB-CG2 4.29Å; N34-V36 PolarHBondContact O-N 2.91Å; V36-E38 PolarHBondContact O-N 3.17Å
37	P	28.3	Very low	28.2	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	76%	0.764	S	S	*	*			trans	-65	119.6	151.5	14	0.4	0	0	0	103.4	V35 P39	V35-P37 WeakPolarHBondContact O-CD 3.17Å; P37-P39 VanDerWaalsContact O-CD 3.22Å; P37-P39 WeakPolarHBondContact O-CD 3.24Å
38	E	25.8	Very low	28.5	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	75%	0.752	S	S	*	*			trans	-47.4	122.7	163.9	-81.7	-161.4	153.3	0	0	106.2	V36 G40	V36-E38 PolarHBondContact O-N 3.17Å; E38-G40 PolarHBondContact O-N 3.43Å
39	P	32.8	Very low	28.8	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	74%	0.744	S	S	*	*			trans	-68.3	90.7	161.1	28.5	-26	0	0	0	103.1	P37 G41	P37-P39 VanDerWaalsContact O-CD 3.22Å; P37-P39 WeakPolarHBondContact O-CD 3.24Å; P39-G41 PolarHBondContact O-N 3.27Å
40	G	30.6	Very low	29.1	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	74%	0.735	S	S	*	*			trans	-61.8	53.7	145.7	0	0	0	0	0	108.4	E38 R42	E38-G40 PolarHBondContact O-N 3.43Å; G40-R42 PolarHBondContact O-N 3.43Å
41	G	29.5	Very low	29.8	Very low	54 Å²	54	134.5 Å²	134.5	56%	0.557	72%	0.716	S	S	*	*			trans	-65.6	74.9	160.6	0	0	0	0	0	106.2	P39 T43	P39-G41 PolarHBondContact O-N 3.27Å; G41-T43 PolarHBondContact O-N 3.34Å
42	R	31.9	Very low	30.3	Very low	215 Å²	215	133.8 Å²	133.8	81%	0.811	72%	0.718	S	S	*	*				-65.9	83.9	127.3	-73.8	-177	178.3	177.7	0.2	104.3	G40 F44	G40-R42 PolarHBondContact O-N 3.43Å; R42-F44 PolarHBondContact O-N 3.49Å
43	T	28.1	Very low	30.9	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	72%	0.722	S	S	*	*			trans	-50.6	97.4	146.3	-25.4	0	0	0	0	102.5	G41 Q45	G41-T43 PolarHBondContact O-N 3.34Å; T43-Q45 PolarHBondContact O-N 3.12Å
44	F	31.9	Very low	31.7	Very low	166 Å²	166	131.5 Å²	131.5	73%	0.728	71%	0.714	S	S	*	*			trans	-57.7	108.4	159.3	-95	-85.1	0	0	0	102.1	R42 R46	R42-F44 PolarHBondContact O-N 3.49Å; F44-R46 PolarHBondContact O-N 3.38Å
45	Q	30.1	Very low	32.3	Very low	173 Å²	173	130.7 Å²	130.7	81%	0.808	71%	0.709	S	S	*	*			trans	-37.1	115.7	169.3	-122.3	170.9	-23.9	0	0	104.7	T43 F47	T43-Q45 PolarHBondContact O-N 3.12Å; Q45-F47 PolarHBondContact O-N 2.94Å
46	R	28.6	Very low	32.6	Very low	220 Å²	220	135.9 Å²	135.9	83%	0.83	72%	0.715	S	S	*	*			trans	-37.5	118.1	168.7	-162.1	178.8	-164.2	160.8	4	104.3	F44 S48	F44-R46 PolarHBondContact O-N 3.38Å; R46-S48 PolarHBondContact O-N 3.27Å
47	F	31.6	Very low	33.1	Very low	179 Å²	179	139.5 Å²	139.5	79%	0.785	72%	0.722	S	S	*	*			trans	-68.1	69.7	163.8	-85.8	-84.5	0	0	0	105.1	Q45 V49	Q45-F47 PolarHBondContact O-N 2.94Å; F47-V49 PolarHBondContact O-N 3.08Å
48	S	31.1	Very low	33.3	Very low	75 Å²	75	142.3 Å²	142.3	52%	0.524	73%	0.726	S	S	.	*			trans	-65	83.9	146.6	-85.5	0	0	0	0	103.7	R46 N50	R46-S48 PolarHBondContact O-N 3.27Å; S48-N50 PolarHBondContact O-N 2.91Å
49	V	34.9	Very low	33.6	Very low	104 Å²	104	139.6 Å²	139.6	63%	0.63	72%	0.724	S	S	*	*			trans	-58.9	101.4	139.3	-175.3	0	0	0	0	102.6	F47 T51	F47-V49 PolarHBondContact O-N 3.08Å; V49-T51 HydrophobicContact CB-CG2 4.26Å; V49-T51 HydrophobicContact CG1-CG2 3.65Å; V49-T51 PolarHBondContact O-N 3.12Å
50	N	33.7	Very low	33.6	Very low	100 Å²	100	140 Å²	140	54%	0.535	73%	0.728	S	S	.	*			trans	-61.3	76.7	165.6	-93.8	1.2	0	0	0	106.5	S48 N52 E53	S48-N50 PolarHBondContact O-N 2.91Å; N50-N52 PolarHBondContact O-N 3.39Å; N50-E53 HydrophobicContact CB-CB 4.43Å; N50-E53 PolarHBondContact O-N 3.21Å
51	T	40.4	Very low	33.8	Very low	92 Å²	92	144.7 Å²	144.7	56%	0.564	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-16	169.2	45.7	0	0	0	0	110.4	V49	V49-T51 HydrophobicContact CB-CG2 4.26Å; V49-T51 HydrophobicContact CG1-CG2 3.65Å; V49-T51 PolarHBondContact O-N 3.12Å
52	N	38.2	Very low	34.2	Very low	161 Å²	161	149.9 Å²	149.9	86%	0.861	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	4	177.9	-92.9	-20.1	0	0	0	116.5	N50	N50-N52 PolarHBondContact O-N 3.39Å
53	E	38.9	Very low	34.4	Very low	153 Å²	153	144.3 Å²	144.3	72%	0.715	74%	0.74	S	S	*	*	S	Bend	trans	-129	3.7	179.2	-112.2	-176.2	175.2	0	0	117.3	N50	N50-E53 HydrophobicContact CB-CB 4.43Å; N50-E53 PolarHBondContact O-N 3.21Å
54	S	42.2	Very low	34.5	Very low	108 Å²	108	144 Å²	144	76%	0.755	74%	0.741	S	S	*	*	S	Bend	trans	-155	43.4	174.1	-73.9	0	0	0	0	115.3
55	L	36.7	Very low	34.7	Very low	117 Å²	117	141.7 Å²	141.7	61%	0.613	74%	0.744	S	S	*	*			trans	-147.6	32.6	161.5	-83	-174.8	0	0	0	113.1	F57	L55-F57 HydrophobicContact CD2-CE2 4.02Å; L55-F57 HydrophobicContact CD2-CZ 4.49Å; L55-F57 PolarHBondContact O-N 3.01Å
56	R	31.7	Very low	35	Very low	241 Å²	241	138.7 Å²	138.7	91%	0.909	74%	0.742	S	S	*	*			trans	-71.8	98.4	158.8	-82	-167.4	-175.7	-173.5	2.4	108	E58	R56-E58 VanDerWaalsContact C-N 3.35Å; R56-E58 PolarHBondContact O-N 3.2Å; R56-E58 VanDerWaalsContact O-N 3.1Å
57	F	37.4	Very low	35.8	Very low	174 Å²	174	134.4 Å²	134.4	76%	0.763	74%	0.742	S	S	*	*			trans	-68	102.3	155.3	-74.9	-81.5	0	0	0	106.6	L55	L55-F57 HydrophobicContact CD2-CE2 4.02Å; L55-F57 HydrophobicContact CD2-CZ 4.49Å; L55-F57 PolarHBondContact O-N 3.01Å
58	E	33.5	Very low	36.2	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	75%	0.747	S	S	*	*			trans	-56.4	136.9	164.1	-71.6	-163.6	152.1	0	0	108.2	R56 C60	R56-E58 VanDerWaalsContact C-N 3.35Å; R56-E58 PolarHBondContact O-N 3.2Å; R56-E58 VanDerWaalsContact O-N 3.1Å; E58-C60 PolarHBondContact O-N 2.99Å; E58-C60 VanDerWaalsContact O-N 3.13Å
59	P	32.7	Very low	36.3	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	76%	0.758	S	S	*	*			trans	-59.1	122.2	168.8	25.9	-29.8	0	0	0	106.6	E61	P59-E61 PolarHBondContact O-N 3.43Å
60	C	31.1	Very low	36.6	Very low	126 Å²	126	132.3 Å²	132.3	85%	0.851	77%	0.766	S	S	*	*			trans	-60.3	106.6	175.7	-157	0	0	0	0	106.9	E58 D62	E58-C60 PolarHBondContact O-N 2.99Å; E58-C60 VanDerWaalsContact O-N 3.13Å; C60-D62 PolarHBondContact O-N 2.82Å
61	E	35.1	Very low	37	Very low	167 Å²	167	136.9 Å²	136.9	78%	0.78	78%	0.784	S	S	*	*			trans	-60.3	120.4	172	-71.1	-168.6	153.1	0	0	107.9	P59 S63	P59-E61 PolarHBondContact O-N 3.43Å; E61-S63 VanDerWaalsContact C-N 3.26Å; E61-S63 PolarHBondContact O-N 3.42Å
62	D	38.3	Very low	37	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	80%	0.802	S	S	*	*			trans	-57.5	87.7	172.1	-84.6	-36.7	0	0	0	110.2	C60	C60-D62 PolarHBondContact O-N 2.82Å
63	S	35.4	Very low	37.2	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	79%	0.792	S	S	*	*			trans	-104.6	83.4	168.2	-65.4	0	0	0	0	108.5	E61 P65	E61-S63 VanDerWaalsContact C-N 3.26Å; E61-S63 PolarHBondContact O-N 3.42Å; S63-P65 WeakPolarHBondContact O-CD 3.31Å
64	C	30.9	Very low	37.8	Very low	119 Å²	119	140.4 Å²	140.4	80%	0.804	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.5	121.9	167	-77.5	0	0	0	0	110.4
65	P	36.7	Very low	38	Very low	119 Å²	119	142 Å²	142	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-82.8	133	160.9	24.9	-13.3	0	0	0	109.2	S63	S63-P65 WeakPolarHBondContact O-CD 3.31Å
66	S	36.5	Very low	38.4	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-61.1	141.6	174.1	-47.2	0	0	0	0	111.4
67	P	44.2	Very low	39.3	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.7	130.8	-178.6	32.8	-30.7	0	0	0	110.4
68	T	40.5	Very low	39.8	Very low	144 Å²	144	137.2 Å²	137.2	88%	0.883	80%	0.798	S	S	*	*			trans	-122.4	125.2	164.6	18.3	0	0	0	0	109.7
69	G	33.8	Very low	40.7	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	79%	0.791	S	S	*	*			trans	82.5	96.9	165.7	0	0	0	0	0	114
70	A	39.9	Very low	41.7	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	78%	0.782	S	S	*	*				90.4	109.2	79.5	0	0	0	0	0	113.1
71	E	42	Very low	43	Very low	196 Å²	196	132.4 Å²	132.4	92%	0.916	76%	0.763	S	S	*	*			trans	71.2	114.7	149.3	-62.8	-170	161.4	0	0	120.9
72	D	41.7	Very low	44	Very low	176 Å²	176	130.9 Å²	130.9	94%	0.941	76%	0.755	S	S	*	*				112.7	129.8	129.3	-143.6	17	0	0	0	116.2
73	G	42.2	Very low	44.8	Very low	62 Å²	62	126.4 Å²	126.4	64%	0.639	74%	0.736	S	S	*	*			trans	110.1	81.8	179.3	0	0	0	0	0	115.1	D75	G73-D75 PolarHBondContact O-N 3.17Å
74	R	51.1	Low	46.4	Very low	241 Å²	241	127 Å²	127	91%	0.909	73%	0.728	S	S	*	*			trans	-69.3	116.1	156.9	-85.3	175.3	-105.8	-158.5	-6.9	108
75	D	47.4	Very low	48.5	Very low	141 Å²	141	123.3 Å²	123.3	75%	0.754	71%	0.71	S	S	*	*	S	Bend	trans	165.4	-7.5	138.3	-84.6	-13	0	0	0	113.7	G73 V77	G73-D75 PolarHBondContact O-N 3.17Å; D75-V77 PolarHBondContact O-N 2.92Å
76	D	45	Very low	50.3	Low	126 Å²	126	123.7 Å²	123.7	67%	0.674	70%	0.702	S	S	*	*	H	α-helix	trans	-86.4	-3.1	-177.8	-65	-20.5	0	0	0	115.3
77	V	50.5	Low	52.4	Low	126 Å²	126	122.9 Å²	122.9	76%	0.764	69%	0.688	S	S	*	*	H	α-helix	trans	-80.5	-21.6	-176.6	-180	0	0	0	0	112.2	D75	D75-V77 PolarHBondContact O-N 2.92Å
78	F	48.2	Very low	53.9	Low	181 Å²	181	118.2 Å²	118.2	79%	0.794	66%	0.66	S	S	*	*	H	α-helix	trans	-81.8	-36.7	177.2	-93	-90.8	0	0	0	112.9	K80	F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.5Å
79	E	52.6	Low	56	Low	134 Å²	134	114.9 Å²	114.9	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-67.2	-29.6	175.4	-85.9	-171.9	160.6	0	0	112.8	G81 E82 C83	E79-G81 PolarHBondContact O-N 3.24Å; E79-E82 PolarHBondContact O-N 3.22Å; E79-C83 WeakPolarHBondContact O-CB 3.4Å; E79-C83 PolarHBondContact O-N 2.99Å
80	K	53.5	Low	58.4	Low	133 Å²	133	115.7 Å²	115.7	58%	0.578	63%	0.629	S	S	*	*	H	α-helix	trans	-67.2	-37.6	-179.2	-164.3	179.6	178.5	-168.3	0	112.6	F78 E84	F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.5Å; K80-E84 VanDerWaalsContact CE-OE1 3.29Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 WeakPolarHBondContact O-CB 3.27Å; K80-E84 VanDerWaalsContact O-CG 3.23Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 2.92Å
81	G	56.8	Low	60.7	Low	43 Å²	43	117.4 Å²	117.4	44%	0.443	61%	0.614	S	S	.	*	H	α-helix	trans	-70.6	-36.3	177.3	0	0	0	0	0	113	E79 E84 G85	E79-G81 PolarHBondContact O-N 3.24Å; G81-E84 PolarHBondContact O-N 3.36Å; G81-G85 PolarHBondContact O-N 3.43Å
82	E	56	Low	62.7	Low	135 Å²	135	112.9 Å²	112.9	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-66.7	-45.8	172.8	-70.8	-178.8	165.4	0	0	111.1	E79 E84 G85 E86	E79-E82 PolarHBondContact O-N 3.22Å; E82-E84 PolarHBondContact O-N 3.48Å; E82-G85 PolarHBondContact O-N 3.35Å; E82-E86 WeakPolarHBondContact O-CG 3.42Å; E82-E86 PolarHBondContact O-N 3.35Å
83	C	56.4	Low	64.8	Low	69 Å²	69	110.2 Å²	110.2	47%	0.466	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-39.8	172.5	-93.8	0	0	0	0	112.9	E79 E86 I87	E79-C83 WeakPolarHBondContact O-CB 3.4Å; E79-C83 PolarHBondContact O-N 2.99Å; C83-E86 PolarHBondContact O-N 3.39Å; C83-I87 WeakPolarHBondContact O-CB 3.18Å; C83-I87 WeakPolarHBondContact O-CD1 3.33Å; C83-I87 WeakPolarHBondContact O-CG1 3.49Å; C83-I87 PolarHBondContact O-N 3.47Å
84	E	68.6	Low	66.8	Low	112 Å²	112	112.1 Å²	112.1	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-66.4	-37.5	177	-79.8	172.8	-174.3	0	0	111.9	K80 G81 E82 A88	K80-E84 VanDerWaalsContact CE-OE1 3.29Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 WeakPolarHBondContact O-CB 3.27Å; K80-E84 VanDerWaalsContact O-CG 3.23Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 2.92Å; G81-E84 PolarHBondContact O-N 3.36Å; E82-E84 PolarHBondContact O-N 3.48Å; E84-A88 WeakPolarHBondContact O-CB 3.32Å; E84-A88 PolarHBondContact O-N 2.99Å
85	G	74.6	Confident	68.4	Low	42 Å²	42	105.8 Å²	105.8	43%	0.433	55%	0.554	S	S	.	*	H	α-helix	trans	-66.6	-43.2	173	0	0	0	0	0	113.1	G81 E82 A88 S89	G81-G85 PolarHBondContact O-N 3.43Å; E82-G85 PolarHBondContact O-N 3.35Å; G85-A88 PolarHBondContact O-N 2.84Å; G85-S89 WeakPolarHBondContact O-CB 3.46Å; G85-S89 PolarHBondContact O-N 2.91Å
86	E	74.3	Confident	70.1	Confident	126 Å²	126	100.7 Å²	100.7	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-43.1	174.5	-75.2	-173.2	174.2	0	0	111.9	E82 C83 A88 S89 I90	E82-E86 WeakPolarHBondContact O-CG 3.42Å; E82-E86 PolarHBondContact O-N 3.35Å; C83-E86 PolarHBondContact O-N 3.39Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 3.02Å; E86-S89 WeakPolarHBondContact O-CB 3.42Å; E86-S89 PolarHBondContact O-N 3.22Å; E86-I90 WeakPolarHBondContact O-CB 3.42Å; E86-I90 VanDerWaalsContact O-CG1 3.28Å; E86-I90 WeakPolarHBondContact O-CG1 3.44Å; E86-I90 PolarHBondContact O-N 2.91Å
87	I	80.6	Confident	71.9	Confident	93 Å²	93	100.5 Å²	100.5	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-39.4	175.8	-70.6	166.1	0	0	0	110.8	C83 R91	C83-I87 WeakPolarHBondContact O-CB 3.18Å; C83-I87 WeakPolarHBondContact O-CD1 3.33Å; C83-I87 WeakPolarHBondContact O-CG1 3.49Å; C83-I87 PolarHBondContact O-N 3.47Å; I87-R91 WeakPolarHBondContact O-CB 3.23Å; I87-R91 PolarHBondContact O-N 2.89Å
88	A	76.9	Confident	73.6	Confident	31 Å²	31	96.9 Å²	96.9	26%	0.256	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-40.8	175.7	0	0	0	0	0	112	E84 G85 E86 R91 N92	E84-A88 WeakPolarHBondContact O-CB 3.32Å; E84-A88 PolarHBondContact O-N 2.99Å; G85-A88 PolarHBondContact O-N 2.84Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 3.02Å; A88-R91 PolarHBondContact O-N 3.06Å; A88-N92 VanDerWaalsContact O-CG 3.24Å; A88-N92 PolarHBondContact O-N 2.89Å; A88-N92 PolarHBondContact O-ND2 3.11Å
89	S	83.6	Confident	75.3	Confident	75 Å²	75	90.9 Å²	90.9	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-49.4	174.9	-178.2	0	0	0	0	111.8	G85 E86 R91 N92 Q93	G85-S89 WeakPolarHBondContact O-CB 3.46Å; G85-S89 PolarHBondContact O-N 2.91Å; E86-S89 WeakPolarHBondContact O-CB 3.42Å; E86-S89 PolarHBondContact O-N 3.22Å; S89-R91 VanDerWaalsContact C-N 3.32Å; S89-R91 PolarHBondContact O-N 3.24Å; S89-N92 PolarHBondContact O-N 3.05Å; S89-Q93 WeakPolarHBondContact O-CB 3.4Å; S89-Q93 PolarHBondContact O-N 2.97Å
90	I	83.8	Confident	76.7	Confident	90 Å²	90	91.1 Å²	91.1	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.5	-68.6	166.3	0	0	0	110.8	E86 Q93 L94	E86-I90 WeakPolarHBondContact O-CB 3.42Å; E86-I90 VanDerWaalsContact O-CG1 3.28Å; E86-I90 WeakPolarHBondContact O-CG1 3.44Å; E86-I90 PolarHBondContact O-N 2.91Å; I90-Q93 PolarHBondContact O-N 3.25Å; I90-L94 HydrophobicContact CG2-CD1 3.8Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 PolarHBondContact O-N 2.74Å
91	R	88.6	Confident	78.2	Confident	133 Å²	133	90.9 Å²	90.9	50%	0.502	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-47.5	175.9	-175.3	-167.6	-57.1	131.5	1.6	111.4	I87 A88 S89 Q93 L94 Q95	I87-R91 WeakPolarHBondContact O-CB 3.23Å; I87-R91 PolarHBondContact O-N 2.89Å; A88-R91 PolarHBondContact O-N 3.06Å; S89-R91 VanDerWaalsContact C-N 3.32Å; S89-R91 PolarHBondContact O-N 3.24Å; R91-Q93 VanDerWaalsContact C-N 3.32Å; R91-Q93 PolarHBondContact O-N 3.33Å; R91-L94 PolarHBondContact O-N 2.95Å; R91-Q95 WeakPolarHBondContact O-CB 3.47Å; R91-Q95 WeakPolarHBondContact O-CG 3.28Å; R91-Q95 PolarHBondContact O-N 3.37Å
92	N	84.9	Confident	79.4	Confident	101 Å²	101	94.1 Å²	94.1	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-39.5	178.6	-69.4	-18.1	0	0	0	111.3	A88 S89 Q95 G96	A88-N92 VanDerWaalsContact O-CG 3.24Å; A88-N92 PolarHBondContact O-N 2.89Å; A88-N92 PolarHBondContact O-ND2 3.11Å; S89-N92 PolarHBondContact O-N 3.05Å; N92-Q95 PolarHBondContact O-N 3.33Å; N92-G96 PolarHBondContact O-N 3.41Å
93	Q	84.5	Confident	80.5	Confident	120 Å²	120	93.6 Å²	93.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-64.8	-40.2	175.5	-165.5	-178.7	23.9	0	0	112.3	S89 I90 R91 G96 K97	S89-Q93 WeakPolarHBondContact O-CB 3.4Å; S89-Q93 PolarHBondContact O-N 2.97Å; I90-Q93 PolarHBondContact O-N 3.25Å; R91-Q93 VanDerWaalsContact C-N 3.32Å; R91-Q93 PolarHBondContact O-N 3.33Å; Q93-G96 PolarHBondContact O-N 3.45Å; Q93-K97 WeakPolarHBondContact O-CG 3.36Å; Q93-K97 PolarHBondContact O-N 2.85Å
94	L	84.5	Confident	81.7	Confident	102 Å²	102	96.3 Å²	96.3	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-41.8	174.2	-85.1	158.6	0	0	0	111.7	I90 R91 G96 K97 V98	I90-L94 HydrophobicContact CG2-CD1 3.8Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 PolarHBondContact O-N 2.74Å; R91-L94 PolarHBondContact O-N 2.95Å; L94-G96 VanDerWaalsContact C-N 3.35Å; L94-G96 PolarHBondContact O-N 3.02Å; L94-K97 PolarHBondContact O-N 2.96Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.2Å
95	Q	84.6	Confident	82.2	Confident	108 Å²	108	93.1 Å²	93.1	51%	0.505	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-41.7	175.5	-78	178.7	-22.7	0	0	111.9	R91 N92 V98 A99	R91-Q95 WeakPolarHBondContact O-CB 3.47Å; R91-Q95 WeakPolarHBondContact O-CG 3.28Å; R91-Q95 PolarHBondContact O-N 3.37Å; N92-Q95 PolarHBondContact O-N 3.33Å; Q95-V98 PolarHBondContact O-N 2.68Å; Q95-A99 PolarHBondContact O-N 3.14Å
96	G	83.6	Confident	82.4	Confident	34 Å²	34	92.8 Å²	92.8	35%	0.351	49%	0.492	S	S	.	.	H	α-helix	trans	-59.4	-46.8	172.6	0	0	0	0	0	112.3	N92 Q93 L94 V98 A99 E100	N92-G96 PolarHBondContact O-N 3.41Å; Q93-G96 PolarHBondContact O-N 3.45Å; L94-G96 VanDerWaalsContact C-N 3.35Å; L94-G96 PolarHBondContact O-N 3.02Å; G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 2.78Å; G96-A99 PolarHBondContact O-N 3.1Å; G96-E100 WeakPolarHBondContact O-CG 3.37Å; G96-E100 PolarHBondContact O-N 3.49Å
97	K	83.6	Confident	82.5	Confident	122 Å²	122	91.2 Å²	91.2	53%	0.53	49%	0.485	S	S	.	.	H	α-helix	trans	-63.2	-35.9	176.3	-75.3	-176.1	176.4	-178.7	0	113.4	Q93 L94 M101	Q93-K97 WeakPolarHBondContact O-CG 3.36Å; Q93-K97 PolarHBondContact O-N 2.85Å; L94-K97 PolarHBondContact O-N 2.96Å; K97-M101 WeakPolarHBondContact O-CB 3.49Å; K97-M101 PolarHBondContact O-N 3.04Å
98	V	86.5	Confident	81.9	Confident	51 Å²	51	90.8 Å²	90.8	31%	0.309	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-44.7	175.5	169.5	0	0	0	0	110.1	L94 Q95 G96 E100 M101 E102	L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.2Å; Q95-V98 PolarHBondContact O-N 2.68Å; G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 2.78Å; V98-E100 VanDerWaalsContact C-N 3.35Å; V98-E100 PolarHBondContact O-N 3.36Å; V98-M101 PolarHBondContact O-N 2.78Å; V98-M101 VanDerWaalsContact O-N 3.16Å; V98-E102 HydrophobicContact CG1-CG 4.33Å; V98-E102 WeakPolarHBondContact O-CB 3.33Å; V98-E102 WeakPolarHBondContact O-CG 3.37Å; V98-E102 PolarHBondContact O-N 2.73Å
99	A	83.2	Confident	82	Confident	54 Å²	54	95.6 Å²	95.6	45%	0.446	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.9	0	0	0	0	0	112.5	Q95 G96 E102 N103	Q95-A99 PolarHBondContact O-N 3.14Å; G96-A99 PolarHBondContact O-N 3.1Å; A99-E102 PolarHBondContact O-N 2.93Å; A99-N103 WeakPolarHBondContact O-CB 3.27Å; A99-N103 PolarHBondContact O-N 3.19Å
100	E	82.4	Confident	81.3	Confident	140 Å²	140	98 Å²	98	65%	0.654	50%	0.503	S	S	*	.	H	α-helix	trans	-61.7	-43.1	172.8	-74	176.1	-177.2	0	0	111.9	G96 V98 N103 F104	G96-E100 WeakPolarHBondContact O-CG 3.37Å; G96-E100 PolarHBondContact O-N 3.49Å; V98-E100 VanDerWaalsContact C-N 3.35Å; V98-E100 PolarHBondContact O-N 3.36Å; E100-N103 PolarHBondContact O-N 3.44Å; E100-F104 WeakPolarHBondContact O-CB 3.39Å; E100-F104 PolarHBondContact O-N 2.86Å
101	M	84.6	Confident	80.5	Confident	128 Å²	128	97.3 Å²	97.3	63%	0.631	50%	0.5	S	S	*	.	H	α-helix	trans	-69.6	-36.1	-179.9	-166.7	170.1	68.6	0	0	112.3	K97 V98 A105	K97-M101 WeakPolarHBondContact O-CB 3.49Å; K97-M101 PolarHBondContact O-N 3.04Å; V98-M101 PolarHBondContact O-N 2.78Å; V98-M101 VanDerWaalsContact O-N 3.16Å; M101-A105 VanDerWaalsContact O-CB 3.3Å; M101-A105 WeakPolarHBondContact O-CB 3.22Å; M101-A105 PolarHBondContact O-N 3.43Å
102	E	82	Confident	79.5	Confident	110 Å²	110	97.5 Å²	97.5	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-42.6	173	-74.8	178.2	165	0	0	111.5	V98 A99 A105 G106	V98-E102 HydrophobicContact CG1-CG 4.33Å; V98-E102 WeakPolarHBondContact O-CB 3.33Å; V98-E102 WeakPolarHBondContact O-CG 3.37Å; V98-E102 PolarHBondContact O-N 2.73Å; A99-E102 PolarHBondContact O-N 2.93Å; E102-A105 PolarHBondContact O-N 3.42Å; E102-G106 PolarHBondContact O-N 3.39Å
103	N	79.6	Confident	78.7	Confident	124 Å²	124	97.9 Å²	97.9	66%	0.663	51%	0.506	S	S	*	.	H	α-helix	trans	-63.5	-43.9	175.3	-168.7	8.2	0	0	0	111.3	A99 E100 A105 G106 H107	A99-N103 WeakPolarHBondContact O-CB 3.27Å; A99-N103 PolarHBondContact O-N 3.19Å; E100-N103 PolarHBondContact O-N 3.44Å; N103-A105 PolarHBondContact O-N 3.38Å; N103-G106 PolarHBondContact O-N 2.92Å; N103-H107 PolarHBondContact O-N 3.45Å
104	F	81.2	Confident	77.8	Confident	126 Å²	126	94.4 Å²	94.4	55%	0.553	49%	0.493	S	S	*	.	H	α-helix	trans	-63	-40	174.7	-178.6	-109.3	0	0	0	112.5	E100 H107 L108	E100-F104 WeakPolarHBondContact O-CB 3.39Å; E100-F104 PolarHBondContact O-N 2.86Å; F104-H107 PolarHBondContact O-N 2.9Å; F104-L108 HydrophobicContact CD1-CD1 3.92Å; F104-L108 HydrophobicContact CD1-CG 4.46Å; F104-L108 HydrophobicContact CE1-CD1 3.39Å; F104-L108 HydrophobicContact CE1-CG 4.03Å; F104-L108 HydrophobicContact CE2-CG 4.44Å; F104-L108 HydrophobicContact CZ-CD1 3.79Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 HydrophobicContact CZ-CG 4.01Å; F104-L108 PolarHBondContact O-N 3.42Å
105	A	77.9	Confident	76.7	Confident	46 Å²	46	92.1 Å²	92.1	38%	0.38	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.4	0	0	0	0	0	111.8	M101 E102 N103 L108 E109	M101-A105 VanDerWaalsContact O-CB 3.3Å; M101-A105 WeakPolarHBondContact O-CB 3.22Å; M101-A105 PolarHBondContact O-N 3.43Å; E102-A105 PolarHBondContact O-N 3.42Å; N103-A105 PolarHBondContact O-N 3.38Å; A105-L108 PolarHBondContact O-N 2.97Å; A105-E109 PolarHBondContact O-N 3.04Å
106	G	79.8	Confident	75.8	Confident	35 Å²	35	92.7 Å²	92.7	36%	0.361	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-43	173.4	0	0	0	0	0	112.4	E102 N103 L108 E109 E110	E102-G106 PolarHBondContact O-N 3.39Å; N103-G106 PolarHBondContact O-N 2.92Å; G106-L108 VanDerWaalsContact C-N 3.34Å; G106-L108 PolarHBondContact O-N 3.21Å; G106-E109 PolarHBondContact O-N 3.15Å; G106-E110 PolarHBondContact O-N 3.49Å
107	H	75.4	Confident	75	Confident	92 Å²	92	96.7 Å²	96.7	43%	0.426	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175	-170.4	54.4	0	0	0	112.3	N103 F104 E110 I111	N103-H107 PolarHBondContact O-N 3.45Å; F104-H107 PolarHBondContact O-N 2.9Å; H107-E110 PolarHBondContact O-N 3.31Å; H107-I111 VanDerWaalsContact O-CG1 3.27Å; H107-I111 WeakPolarHBondContact O-CG1 3.49Å; H107-I111 PolarHBondContact O-N 2.94Å
108	L	69.9	Low	74	Confident	84 Å²	84	91.4 Å²	91.4	44%	0.44	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-37.3	174.4	-79.2	176.9	0	0	0	112.9	F104 A105 G106 I111 F112	F104-L108 HydrophobicContact CD1-CD1 3.92Å; F104-L108 HydrophobicContact CD1-CG 4.46Å; F104-L108 HydrophobicContact CE1-CD1 3.39Å; F104-L108 HydrophobicContact CE1-CG 4.03Å; F104-L108 HydrophobicContact CE2-CG 4.44Å; F104-L108 HydrophobicContact CZ-CD1 3.79Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 HydrophobicContact CZ-CG 4.01Å; F104-L108 PolarHBondContact O-N 3.42Å; A105-L108 PolarHBondContact O-N 2.97Å; G106-L108 VanDerWaalsContact C-N 3.34Å; G106-L108 PolarHBondContact O-N 3.21Å; L108-I111 HydrophobicContact CD2-CD1 4.48Å; L108-I111 PolarHBondContact O-N 3.05Å; L108-F112 WeakPolarHBondContact O-CB 3.45Å; L108-F112 PolarHBondContact O-N 3.41Å
109	E	78.2	Confident	73	Confident	133 Å²	133	95.2 Å²	95.2	62%	0.621	49%	0.486	S	S	*	.	H	α-helix	trans	-64	-42.5	173.9	-77.8	-171.5	165.9	0	0	111.5	A105 G106 F112 L113	A105-E109 PolarHBondContact O-N 3.04Å; G106-E109 PolarHBondContact O-N 3.15Å; E109-F112 WeakPolarHBondContact O-CB 3.5Å; E109-F112 PolarHBondContact O-N 3.1Å; E109-L113 WeakPolarHBondContact O-CG 3.33Å; E109-L113 PolarHBondContact O-N 3.5Å
110	E	67.8	Low	72.2	Confident	125 Å²	125	94 Å²	94	58%	0.584	48%	0.478	S	S	*	.	H	α-helix	trans	-63.3	-42.5	176.4	-171.8	176.5	-159.9	0	0	111.8	G106 H107 F112 L113 T114	G106-E110 PolarHBondContact O-N 3.49Å; H107-E110 PolarHBondContact O-N 3.31Å; E110-F112 VanDerWaalsContact C-N 3.33Å; E110-F112 PolarHBondContact O-N 3.06Å; E110-L113 PolarHBondContact O-N 3.22Å; E110-T114 WeakPolarHBondContact O-CB 3.32Å; E110-T114 PolarHBondContact O-N 3.4Å; E110-T114 PolarHBondContact O-OG1 2.89Å
111	I	68.4	Low	71.6	Confident	76 Å²	76	92.6 Å²	92.6	39%	0.39	47%	0.467	S	S	.	.	H	α-helix	trans	-59.9	-45.2	172.2	-69	165.2	0	0	0	110.1	H107 L108 T114 V115	H107-I111 VanDerWaalsContact O-CG1 3.27Å; H107-I111 WeakPolarHBondContact O-CG1 3.49Å; H107-I111 PolarHBondContact O-N 2.94Å; L108-I111 HydrophobicContact CD2-CD1 4.48Å; L108-I111 PolarHBondContact O-N 3.05Å; I111-T114 PolarHBondContact O-N 2.93Å; I111-V115 HydrophobicContact CG2-CG2 4.32Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.35Å; I111-V115 PolarHBondContact O-N 3.05Å
112	F	67.9	Low	70.7	Confident	136 Å²	136	92.3 Å²	92.3	60%	0.596	46%	0.463	S	S	*	.	H	α-helix	trans	-61.8	-46.7	-179.3	-174.5	-88.2	0	0	0	111.9	L108 E109 E110 T114 V115 E116	L108-F112 WeakPolarHBondContact O-CB 3.45Å; L108-F112 PolarHBondContact O-N 3.41Å; E109-F112 WeakPolarHBondContact O-CB 3.5Å; E109-F112 PolarHBondContact O-N 3.1Å; E110-F112 VanDerWaalsContact C-N 3.33Å; E110-F112 PolarHBondContact O-N 3.06Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.31Å; F112-V115 PolarHBondContact O-N 3.12Å; F112-E116 WeakPolarHBondContact O-CB 3.41Å; F112-E116 PolarHBondContact O-N 2.91Å
113	L	67.3	Low	70.2	Confident	109 Å²	109	93.7 Å²	93.7	57%	0.571	47%	0.47	S	S	*	.	H	α-helix	trans	-60.5	-41.9	176.6	-70.9	172.3	0	0	0	111.4	E109 E110 E116 E117	E109-L113 WeakPolarHBondContact O-CG 3.33Å; E109-L113 PolarHBondContact O-N 3.5Å; E110-L113 PolarHBondContact O-N 3.22Å; L113-E116 PolarHBondContact O-N 3.03Å; L113-E117 WeakPolarHBondContact O-CB 3.19Å; L113-E117 PolarHBondContact O-N 2.9Å
114	T	66.4	Low	70.1	Confident	48 Å²	48	94 Å²	94	29%	0.294	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-43.7	177.9	-57.9	0	0	0	0	111.4	E110 I111 F112 E117 N118	E110-T114 WeakPolarHBondContact O-CB 3.32Å; E110-T114 PolarHBondContact O-N 3.4Å; E110-T114 PolarHBondContact O-OG1 2.89Å; I111-T114 PolarHBondContact O-N 2.93Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.31Å; T114-E117 PolarHBondContact O-N 3.04Å; T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 2.92Å; T114-N118 PolarHBondContact O-ND2 3.01Å; T114-N118 PolarHBondContact O-OD1 3.35Å
115	V	59.7	Low	69.8	Low	54 Å²	54	93.5 Å²	93.5	33%	0.327	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-48.1	176.5	171.2	0	0	0	0	110.4	I111 F112 E117 N118 F119	I111-V115 HydrophobicContact CG2-CG2 4.32Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.35Å; I111-V115 PolarHBondContact O-N 3.05Å; F112-V115 PolarHBondContact O-N 3.12Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 3.17Å; V115-N118 PolarHBondContact O-N 3.4Å; V115-F119 HydrophobicContact CG1-CD2 3.6Å; V115-F119 HydrophobicContact CG1-CE2 3.53Å; V115-F119 VanDerWaalsContact O-CD2 3.25Å; V115-F119 WeakPolarHBondContact O-CD2 3.37Å; V115-F119 PolarHBondContact O-N 3.33Å
116	E	67.4	Low	69.6	Low	119 Å²	119	94.9 Å²	94.9	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-59.1	-42.3	178.7	-168.8	174.3	-167.1	0	0	111.9	F112 L113 F119 G120	F112-E116 WeakPolarHBondContact O-CB 3.41Å; F112-E116 PolarHBondContact O-N 2.91Å; L113-E116 PolarHBondContact O-N 3.03Å; E116-F119 PolarHBondContact O-N 3.5Å; E116-G120 PolarHBondContact O-N 3.46Å
117	E	66.6	Low	69.5	Low	118 Å²	118	98.8 Å²	98.8	55%	0.551	48%	0.476	S	S	*	.	H	α-helix	trans	-67.2	-37.3	176.6	-158.1	-163.6	132.8	0	0	112.6	L113 T114 V115 G120 R121	L113-E117 WeakPolarHBondContact O-CB 3.19Å; L113-E117 PolarHBondContact O-N 2.9Å; T114-E117 PolarHBondContact O-N 3.04Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 3.17Å; E117-G120 PolarHBondContact O-N 2.76Å; E117-R121 VanDerWaalsContact CD-NH2 3.25Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 3.93Å; E117-R121 PolarHBondContact OE1-NE 3.22Å; E117-R121 VanDerWaalsContact OE1-NE 3.13Å; E117-R121 IonicContact OE1-NH2 2.83Å; E117-R121 PolarHBondContact OE1-NH2 3.4Å; E117-R121 IonicContact OE2-NH2 2.81Å
118	N	61.3	Low	69.8	Low	11 Å²	11	100.2 Å²	100.2	6%	0.059	48%	0.483	C	S	.	.	H	α-helix	trans	-64.2	-46.8	175.3	-68.8	-22.8	0	0	0	111.8	T114 V115 G120 R121 Q122 S270 D271	T114-N118 WeakPolarHBondContact O-CB 3.43Å; T114-N118 PolarHBondContact O-N 2.92Å; T114-N118 PolarHBondContact O-ND2 3.01Å; T114-N118 PolarHBondContact O-OD1 3.35Å; V115-N118 PolarHBondContact O-N 3.4Å; N118-G120 VanDerWaalsContact C-N 3.3Å; N118-G120 PolarHBondContact O-N 3.14Å; N118-R121 PolarHBondContact O-N 3.33Å; N118-R121 PolarHBondContact OD1-NH1 3.38Å; N118-R121 PolarHBondContact OD1-NH2 3.34Å; N118-Q122 WeakPolarHBondContact O-CB 3.5Å; N118-Q122 PolarHBondContact O-N 2.87Å; N118-S270 WeakPolarHBondContact ND2-CA 3.42Å; N118-D271 WeakPolarHBondContact CB-OD2 3.49Å
119	F	66.3	Low	70.1	Confident	132 Å²	132	98 Å²	98	58%	0.579	47%	0.47	S	S	*	.	H	α-helix	trans	-60.3	-42	175.5	-84.7	-76.4	0	0	0	111.2	V115 E116 Q122 E123	V115-F119 HydrophobicContact CG1-CD2 3.6Å; V115-F119 HydrophobicContact CG1-CE2 3.53Å; V115-F119 VanDerWaalsContact O-CD2 3.25Å; V115-F119 WeakPolarHBondContact O-CD2 3.37Å; V115-F119 PolarHBondContact O-N 3.33Å; E116-F119 PolarHBondContact O-N 3.5Å; F119-Q122 PolarHBondContact O-N 2.78Å; F119-E123 WeakPolarHBondContact O-CB 3.44Å; F119-E123 PolarHBondContact O-N 2.69Å
120	G	66.4	Low	70	Confident	27 Å²	27	97.2 Å²	97.2	28%	0.278	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-43.4	175.4	0	0	0	0	0	113.4	E116 E117 N118 E123 Q124	E116-G120 PolarHBondContact O-N 3.46Å; E117-G120 PolarHBondContact O-N 2.76Å; N118-G120 VanDerWaalsContact C-N 3.3Å; N118-G120 PolarHBondContact O-N 3.14Å; G120-E123 PolarHBondContact O-N 3.25Å; G120-Q124 WeakPolarHBondContact O-CG 3.33Å; G120-Q124 PolarHBondContact O-N 2.91Å
121	R	69.2	Low	70.8	Confident	112 Å²	112	95.1 Å²	95.1	42%	0.423	46%	0.455	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.5	-87.3	-172.9	-97	96.7	-1	112.4	E117 N118 E123 Q124 H125	E117-R121 VanDerWaalsContact CD-NH2 3.25Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 2.69Å; E117-R121 IonicContact OE1-NE 3.93Å; E117-R121 PolarHBondContact OE1-NE 3.22Å; E117-R121 VanDerWaalsContact OE1-NE 3.13Å; E117-R121 IonicContact OE1-NH2 2.83Å; E117-R121 PolarHBondContact OE1-NH2 3.4Å; E117-R121 IonicContact OE2-NH2 2.81Å; N118-R121 PolarHBondContact O-N 3.33Å; N118-R121 PolarHBondContact OD1-NH1 3.38Å; N118-R121 PolarHBondContact OD1-NH2 3.34Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-Q124 PolarHBondContact O-N 2.92Å; R121-H125 WeakPolarHBondContact O-CB 3.35Å; R121-H125 PolarHBondContact O-N 3.21Å
122	Q	66.1	Low	71.5	Confident	121 Å²	121	95 Å²	95	57%	0.565	46%	0.455	S	S	*	.	H	α-helix	trans	-65.5	-39.8	178.7	-174.3	63.9	11.5	0	0	111.6	N118 F119 H125 L126	N118-Q122 WeakPolarHBondContact O-CB 3.5Å; N118-Q122 PolarHBondContact O-N 2.87Å; F119-Q122 PolarHBondContact O-N 2.78Å; Q122-H125 PolarHBondContact O-N 2.88Å; Q122-L126 WeakPolarHBondContact O-CB 3.38Å; Q122-L126 PolarHBondContact O-N 2.86Å
123	E	71.6	Confident	72.2	Confident	140 Å²	140	89.3 Å²	89.3	65%	0.654	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-48.2	174.5	-174.6	174.5	-156.2	0	0	111.3	F119 G120 R121 H125 L126 E127	F119-E123 WeakPolarHBondContact O-CB 3.44Å; F119-E123 PolarHBondContact O-N 2.69Å; G120-E123 PolarHBondContact O-N 3.25Å; R121-E123 VanDerWaalsContact C-N 3.34Å; E123-H125 PolarHBondContact O-N 2.98Å; E123-L126 PolarHBondContact O-N 2.68Å; E123-E127 WeakPolarHBondContact O-CB 3.18Å; E123-E127 PolarHBondContact O-N 3.4Å
124	Q	76.3	Confident	73	Confident	129 Å²	129	89.1 Å²	89.1	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-61.1	-42.3	177.1	-75.2	178.3	2.2	0	0	112.8	G120 R121 L126 E127 Q128	G120-Q124 WeakPolarHBondContact O-CG 3.33Å; G120-Q124 PolarHBondContact O-N 2.91Å; R121-Q124 PolarHBondContact O-N 2.92Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-E127 PolarHBondContact O-N 2.96Å; Q124-Q128 WeakPolarHBondContact O-CB 3.49Å; Q124-Q128 PolarHBondContact O-N 3.43Å
125	H	75.9	Confident	74	Confident	117 Å²	117	93.1 Å²	93.1	54%	0.542	45%	0.446	S	S	.	.	H	α-helix	trans	-63.5	-42.8	177.6	-178.8	-92.7	0	0	0	111.4	R121 Q122 E123 H129	R121-H125 WeakPolarHBondContact O-CB 3.35Å; R121-H125 PolarHBondContact O-N 3.21Å; Q122-H125 PolarHBondContact O-N 2.88Å; E123-H125 PolarHBondContact O-N 2.98Å; H125-H129 WeakPolarHBondContact O-CB 3.41Å; H125-H129 PolarHBondContact O-N 3.45Å
126	L	73.2	Confident	75.1	Confident	74 Å²	74	92.6 Å²	92.6	39%	0.387	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-44.5	176.1	-171.1	65.9	0	0	0	111.1	Q122 E123 Q124 H129 Y130	Q122-L126 WeakPolarHBondContact O-CB 3.38Å; Q122-L126 PolarHBondContact O-N 2.86Å; E123-L126 PolarHBondContact O-N 2.68Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; L126-H129 PolarHBondContact O-N 3.25Å; L126-Y130 HydrophobicContact CD1-CD2 4.04Å; L126-Y130 HydrophobicContact CD1-CE2 3.63Å; L126-Y130 HydrophobicContact CD2-CE2 4.17Å; L126-Y130 HydrophobicContact CG-CD2 3.82Å; L126-Y130 HydrophobicContact CG-CE2 3.67Å; L126-Y130 VanDerWaalsContact O-CD2 3.23Å; L126-Y130 WeakPolarHBondContact O-CD2 3.44Å; L126-Y130 PolarHBondContact O-N 2.86Å
127	E	78.9	Confident	75.8	Confident	118 Å²	118	90.5 Å²	90.5	55%	0.551	44%	0.435	S	S	*	.	H	α-helix	trans	-60.5	-48.3	177.2	-174.5	179.7	-170	0	0	111.6	E123 Q124 H129 Y130 N131	E123-E127 WeakPolarHBondContact O-CB 3.18Å; E123-E127 PolarHBondContact O-N 3.4Å; Q124-E127 PolarHBondContact O-N 2.96Å; E127-H129 VanDerWaalsContact C-N 3.34Å; E127-H129 PolarHBondContact O-N 3.25Å; E127-Y130 PolarHBondContact O-N 3.42Å; E127-N131 WeakPolarHBondContact O-CB 3.2Å; E127-N131 VanDerWaalsContact O-CG 3.29Å; E127-N131 PolarHBondContact O-N 3.29Å; E127-N131 PolarHBondContact O-ND2 3.22Å; E127-N131 VanDerWaalsContact O-ND2 3.1Å
128	Q	80.4	Confident	76.7	Confident	121 Å²	121	88 Å²	88	57%	0.565	43%	0.43	S	S	*	.	H	α-helix	trans	-59	-46.2	177.5	-173.9	173.6	2.2	0	0	111.3	Q124 Y130 N131 D132	Q124-Q128 WeakPolarHBondContact O-CB 3.49Å; Q124-Q128 PolarHBondContact O-N 3.43Å; Q128-Y130 PolarHBondContact O-N 3.07Å; Q128-N131 WeakPolarHBondContact O-CB 3.4Å; Q128-N131 PolarHBondContact O-N 3.01Å; Q128-D132 PolarHBondContact O-N 3.06Å
129	H	75.8	Confident	77.9	Confident	39 Å²	39	92.4 Å²	92.4	18%	0.181	45%	0.451	C	S	.	.	H	α-helix	trans	-66.1	-38.5	179.9	-168.4	-80.6	0	0	0	112.6	H125 L126 E127 N131 D132 V133 M234	H125-H129 WeakPolarHBondContact O-CB 3.41Å; H125-H129 PolarHBondContact O-N 3.45Å; L126-H129 PolarHBondContact O-N 3.25Å; E127-H129 VanDerWaalsContact C-N 3.34Å; E127-H129 PolarHBondContact O-N 3.25Å; H129-N131 VanDerWaalsContact C-N 3.34Å; H129-D132 PolarHBondContact O-N 2.93Å; H129-V133 WeakPolarHBondContact O-CG2 3.34Å; H129-V133 PolarHBondContact O-N 3.04Å; H129-V133 VanDerWaalsContact O-N 3.13Å; H129-M234 PolarHBondContact CE1-O 3.04Å; H129-M234 PolarHBondContact NE2-O 3.37Å
130	Y	77.7	Confident	78.7	Confident	116 Å²	116	92.2 Å²	92.2	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-41.2	172.4	-89.7	-68.1	0	0	0	111.9	L126 E127 Q128 D132 V133 L134	L126-Y130 HydrophobicContact CD1-CD2 4.04Å; L126-Y130 HydrophobicContact CD1-CE2 3.63Å; L126-Y130 HydrophobicContact CD2-CE2 4.17Å; L126-Y130 HydrophobicContact CG-CD2 3.82Å; L126-Y130 HydrophobicContact CG-CE2 3.67Å; L126-Y130 VanDerWaalsContact O-CD2 3.23Å; L126-Y130 WeakPolarHBondContact O-CD2 3.44Å; L126-Y130 PolarHBondContact O-N 2.86Å; E127-Y130 PolarHBondContact O-N 3.42Å; Q128-Y130 PolarHBondContact O-N 3.07Å; Y130-D132 VanDerWaalsContact C-N 3.35Å; Y130-V133 PolarHBondContact O-N 2.85Å; Y130-L134 WeakPolarHBondContact O-CB 3.47Å; Y130-L134 WeakPolarHBondContact O-CG 3.31Å; Y130-L134 PolarHBondContact O-N 3.3Å
131	N	84.4	Confident	79.4	Confident	81 Å²	81	98.1 Å²	98.1	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-41.4	176.3	-73.8	-36.4	0	0	0	111.7	E127 Q128 H129 V133 L134 Q135	E127-N131 WeakPolarHBondContact O-CB 3.2Å; E127-N131 VanDerWaalsContact O-CG 3.29Å; E127-N131 PolarHBondContact O-N 3.29Å; E127-N131 PolarHBondContact O-ND2 3.22Å; E127-N131 VanDerWaalsContact O-ND2 3.1Å; Q128-N131 WeakPolarHBondContact O-CB 3.4Å; Q128-N131 PolarHBondContact O-N 3.01Å; H129-N131 VanDerWaalsContact C-N 3.34Å; N131-V133 PolarHBondContact O-N 3.16Å; N131-L134 PolarHBondContact O-N 3.48Å; N131-Q135 VanDerWaalsContact O-CB 3.3Å; N131-Q135 WeakPolarHBondContact O-CB 3.37Å; N131-Q135 PolarHBondContact O-N 3.28Å
132	D	82.2	Confident	80.2	Confident	72 Å²	72	96 Å²	96	39%	0.385	46%	0.458	S	S	.	.	H	α-helix	trans	-63	-41.1	177.3	-70.1	-16.8	0	0	0	112.2	Q128 H129 Y130 T136	Q128-D132 PolarHBondContact O-N 3.06Å; H129-D132 PolarHBondContact O-N 2.93Å; Y130-D132 VanDerWaalsContact C-N 3.35Å; D132-T136 WeakPolarHBondContact O-CB 3.39Å; D132-T136 PolarHBondContact O-N 3.47Å; D132-T136 PolarHBondContact O-OG1 3.14Å
133	V	82.1	Confident	81.1	Confident	17 Å²	17	94.1 Å²	94.1	10%	0.103	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-45.9	175.1	172.8	0	0	0	0	111	H129 Y130 N131 T136 L137 V231 M234	H129-V133 WeakPolarHBondContact O-CG2 3.34Å; H129-V133 PolarHBondContact O-N 3.04Å; H129-V133 VanDerWaalsContact O-N 3.13Å; Y130-V133 PolarHBondContact O-N 2.85Å; N131-V133 PolarHBondContact O-N 3.16Å; V133-T136 PolarHBondContact O-N 3.5Å; V133-L137 HydrophobicContact CG1-CD1 4.07Å; V133-L137 WeakPolarHBondContact O-CG 3.48Å; V133-L137 PolarHBondContact O-N 3.02Å; V133-V231 HydrophobicContact CG1-CG1 4.35Å; V133-M234 HydrophobicContact CG2-CB 4.26Å; V133-M234 HydrophobicContact CG2-SD 4.37Å
134	L	84.6	Confident	81.5	Confident	105 Å²	105	93.3 Å²	93.3	55%	0.55	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-42.9	178.2	-74.9	170.5	0	0	0	111.7	Y130 N131 L137 S138	Y130-L134 WeakPolarHBondContact O-CB 3.47Å; Y130-L134 WeakPolarHBondContact O-CG 3.31Å; Y130-L134 PolarHBondContact O-N 3.3Å; N131-L134 PolarHBondContact O-N 3.48Å; L134-L137 PolarHBondContact O-N 2.9Å; L134-S138 WeakPolarHBondContact O-CB 3.33Å; L134-S138 PolarHBondContact O-N 3.46Å
135	Q	87	Confident	81.8	Confident	133 Å²	133	91.4 Å²	91.4	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-63.3	-44.3	177.2	-174.2	175.3	9.5	0	0	111.2	N131 L137 S138 Q139	N131-Q135 VanDerWaalsContact O-CB 3.3Å; N131-Q135 WeakPolarHBondContact O-CB 3.37Å; N131-Q135 PolarHBondContact O-N 3.28Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 2.94Å; Q135-S138 PolarHBondContact O-N 2.95Å; Q135-Q139 PolarHBondContact O-N 2.98Å
136	T	83.8	Confident	82.2	Confident	42 Å²	42	89.6 Å²	89.6	26%	0.258	43%	0.431	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.5	-58.6	0	0	0	0	111.2	D132 V133 Q139 R140 M234	D132-T136 WeakPolarHBondContact O-CB 3.39Å; D132-T136 PolarHBondContact O-N 3.47Å; D132-T136 PolarHBondContact O-OG1 3.14Å; V133-T136 PolarHBondContact O-N 3.5Å; T136-Q139 PolarHBondContact O-N 3.38Å; T136-R140 VanDerWaalsContact O-CG 3.26Å; T136-R140 WeakPolarHBondContact O-CG 3.35Å; T136-R140 PolarHBondContact O-N 3.49Å; T136-R140 VanDerWaalsContact O-N 3.1Å; T136-M234 HydrophobicContact CG2-CE 4Å
137	L	82.2	Confident	82.8	Confident	76 Å²	76	87.7 Å²	87.7	40%	0.398	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.6	-75.6	171	0	0	0	112.2	V133 L134 Q135 R140 Y141 V231	V133-L137 HydrophobicContact CG1-CD1 4.07Å; V133-L137 WeakPolarHBondContact O-CG 3.48Å; V133-L137 PolarHBondContact O-N 3.02Å; L134-L137 PolarHBondContact O-N 2.9Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 2.94Å; L137-R140 PolarHBondContact O-N 3.28Å; L137-Y141 PolarHBondContact O-N 2.9Å; L137-V231 HydrophobicContact CD2-CG2 4.09Å
138	S	84.6	Confident	82.9	Confident	64 Å²	64	85.4 Å²	85.4	45%	0.448	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-48.9	176.1	-168.2	0	0	0	0	111.2	L134 Q135 R140 Y141 D142	L134-S138 WeakPolarHBondContact O-CB 3.33Å; L134-S138 PolarHBondContact O-N 3.46Å; Q135-S138 PolarHBondContact O-N 2.95Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 3Å; S138-Y141 WeakPolarHBondContact O-CB 3.39Å; S138-Y141 PolarHBondContact O-N 3.21Å; S138-D142 PolarHBondContact O-N 2.96Å
139	Q	86.8	Confident	83	Confident	104 Å²	104	84 Å²	84	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-59.4	-42.5	179.4	-173.5	62.5	49	0	0	111.6	Q135 T136 Y141 D142 D143	Q135-Q139 PolarHBondContact O-N 2.98Å; T136-Q139 PolarHBondContact O-N 3.38Å; Q139-Y141 VanDerWaalsContact C-N 3.3Å; Q139-Y141 PolarHBondContact O-N 3.33Å; Q139-D142 PolarHBondContact O-N 2.71Å; Q139-D143 PolarHBondContact NE2-OD1 3.39Å; Q139-D143 WeakPolarHBondContact O-CB 3.47Å; Q139-D143 PolarHBondContact O-N 2.89Å
140	R	82.7	Confident	83.5	Confident	128 Å²	128	88.8 Å²	88.8	48%	0.483	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-34.9	176.8	-71.5	-70.6	-157.1	168.1	5.8	112.6	T136 L137 S138 R144 D230	T136-R140 VanDerWaalsContact O-CG 3.26Å; T136-R140 WeakPolarHBondContact O-CG 3.35Å; T136-R140 PolarHBondContact O-N 3.49Å; T136-R140 VanDerWaalsContact O-N 3.1Å; L137-R140 PolarHBondContact O-N 3.28Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 3Å; R140-R144 VanDerWaalsContact O-CB 3.31Å; R140-R144 WeakPolarHBondContact O-CB 3.42Å; R140-R144 PolarHBondContact O-N 2.94Å; R140-R144 VanDerWaalsContact O-N 3.13Å; R140-D230 IonicContact NH2-OD2 2.72Å; R140-D230 PolarHBondContact NH2-OD2 2.98Å
141	Y	82.8	Confident	83.9	Confident	152 Å²	152	85.9 Å²	85.9	60%	0.596	43%	0.427	S	S	*	.	H	α-helix	trans	-64	-49.6	174.3	176.4	-90.3	0	0	0	110.5	L137 S138 Q139 D143 R144 E145	L137-Y141 PolarHBondContact O-N 2.9Å; S138-Y141 WeakPolarHBondContact O-CB 3.39Å; S138-Y141 PolarHBondContact O-N 3.21Å; Q139-Y141 VanDerWaalsContact C-N 3.3Å; Q139-Y141 PolarHBondContact O-N 3.33Å; Y141-D143 PolarHBondContact O-N 3.32Å; Y141-R144 PolarHBondContact O-N 3.27Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; Y141-E145 PolarHBondContact O-N 3.36Å
142	D	85.3	Confident	83.9	Confident	67 Å²	67	87.4 Å²	87.4	36%	0.358	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-44	-179.6	-64.2	-25.3	0	0	0	111.8	S138 Q139 R144 E145 T146	S138-D142 PolarHBondContact O-N 2.96Å; Q139-D142 PolarHBondContact O-N 2.71Å; D142-R144 VanDerWaalsContact C-N 3.27Å; D142-R144 PolarHBondContact O-N 2.86Å; D142-E145 PolarHBondContact O-N 3.44Å; D142-T146 WeakPolarHBondContact O-CB 3.48Å; D142-T146 WeakPolarHBondContact O-CG2 3.39Å; D142-T146 PolarHBondContact O-N 3.1Å; D142-T146 PolarHBondContact O-OG1 2.88Å
143	D	84.4	Confident	84.1	Confident	82 Å²	82	90.2 Å²	90.2	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-37.6	176.1	-68.4	-11.4	0	0	0	111.7	Q139 Y141 T146 G147	Q139-D143 PolarHBondContact NE2-OD1 3.39Å; Q139-D143 WeakPolarHBondContact O-CB 3.47Å; Q139-D143 PolarHBondContact O-N 2.89Å; Y141-D143 PolarHBondContact O-N 3.32Å; D143-T146 WeakPolarHBondContact CA-OG1 3.39Å; D143-T146 PolarHBondContact O-OG1 3.43Å; D143-G147 PolarHBondContact O-N 3.31Å; D143-G147 VanDerWaalsContact O-N 3.08Å
144	R	81.3	Confident	84.2	Confident	122 Å²	122	93.1 Å²	93.1	46%	0.46	46%	0.46	S	S	.	.	H	α-helix	trans	-74.6	-39.4	178.3	-172.8	175.8	-178.1	138.1	5.4	111.9	R140 Y141 D142 L148	R140-R144 VanDerWaalsContact O-CB 3.31Å; R140-R144 WeakPolarHBondContact O-CB 3.42Å; R140-R144 PolarHBondContact O-N 2.94Å; R140-R144 VanDerWaalsContact O-N 3.13Å; Y141-R144 PolarHBondContact O-N 3.27Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; D142-R144 VanDerWaalsContact C-N 3.27Å; D142-R144 PolarHBondContact O-N 2.86Å; R144-L148 WeakPolarHBondContact O-CB 3.31Å; R144-L148 PolarHBondContact O-N 2.93Å
145	E	82.3	Confident	84.2	Confident	90 Å²	90	90.3 Å²	90.3	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-48.1	176.1	-178.4	174.8	-165.3	0	0	110.6	Y141 D142 L148 Q149	Y141-E145 PolarHBondContact O-N 3.36Å; D142-E145 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.38Å; E145-Q149 WeakPolarHBondContact O-CG 3.33Å; E145-Q149 PolarHBondContact O-N 3.26Å
146	T	84.9	Confident	84.1	Confident	78 Å²	78	88.6 Å²	88.6	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-47.9	177.8	50.4	0	0	0	0	111.8	D142 D143 L148 Q149 E150	D142-T146 WeakPolarHBondContact O-CB 3.48Å; D142-T146 WeakPolarHBondContact O-CG2 3.39Å; D142-T146 PolarHBondContact O-N 3.1Å; D142-T146 PolarHBondContact O-OG1 2.88Å; D143-T146 WeakPolarHBondContact CA-OG1 3.39Å; D143-T146 PolarHBondContact O-OG1 3.43Å; T146-L148 VanDerWaalsContact C-N 3.27Å; T146-L148 PolarHBondContact O-N 3.3Å; T146-Q149 PolarHBondContact O-N 2.94Å; T146-Q149 VanDerWaalsContact O-N 3.14Å; T146-E150 WeakPolarHBondContact O-CG 3.09Å; T146-E150 PolarHBondContact O-N 3.2Å
147	G	84.3	Confident	84.3	Confident	35 Å²	35	90.9 Å²	90.9	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-57.5	-38.3	175.6	0	0	0	0	0	113.2	D143 E150 E151	D143-G147 PolarHBondContact O-N 3.31Å; D143-G147 VanDerWaalsContact O-N 3.08Å; G147-E150 PolarHBondContact O-N 2.95Å; G147-E151 PolarHBondContact O-N 3.37Å
148	L	82.6	Confident	84.4	Confident	70 Å²	70	89.1 Å²	89.1	37%	0.366	44%	0.44	S	S	.	.	H	α-helix	trans	-71.3	-37	177.6	-168.5	136.5	0	0	0	112.5	R144 E145 T146 E151 K152	R144-L148 WeakPolarHBondContact O-CB 3.31Å; R144-L148 PolarHBondContact O-N 2.93Å; E145-L148 PolarHBondContact O-N 3.38Å; T146-L148 VanDerWaalsContact C-N 3.27Å; T146-L148 PolarHBondContact O-N 3.3Å; L148-E151 PolarHBondContact O-N 3.27Å; L148-K152 WeakPolarHBondContact O-CB 3.37Å; L148-K152 PolarHBondContact O-N 2.88Å
149	Q	82.6	Confident	84.5	Confident	91 Å²	91	89.1 Å²	89.1	43%	0.425	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-39	173.6	-69.7	-66.1	-10.9	0	0	111.9	E145 T146 K152 K153	E145-Q149 WeakPolarHBondContact O-CG 3.33Å; E145-Q149 PolarHBondContact O-N 3.26Å; T146-Q149 PolarHBondContact O-N 2.94Å; T146-Q149 VanDerWaalsContact O-N 3.14Å; Q149-K152 PolarHBondContact O-N 3.47Å; Q149-K153 WeakPolarHBondContact O-CB 3.04Å; Q149-K153 PolarHBondContact O-N 2.82Å
150	E	86.3	Confident	84.4	Confident	139 Å²	139	91.5 Å²	91.5	65%	0.65	44%	0.44	S	S	*	.	H	α-helix	trans	-64.8	-44.3	175.2	-72.8	-175.2	170.3	0	0	112	T146 G147 K152 K153 S154	T146-E150 WeakPolarHBondContact O-CG 3.09Å; T146-E150 PolarHBondContact O-N 3.2Å; G147-E150 PolarHBondContact O-N 2.95Å; E150-K152 VanDerWaalsContact C-N 3.35Å; E150-K152 PolarHBondContact O-N 3.36Å; E150-K153 PolarHBondContact O-N 2.92Å; E150-S154 WeakPolarHBondContact O-CB 3.3Å; E150-S154 PolarHBondContact O-N 2.92Å
151	E	84.4	Confident	84.4	Confident	55 Å²	55	92.3 Å²	92.3	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-60.8	-45	175.3	-167.6	-171	164.7	0	0	111	G147 L148 K153 S154 K155	G147-E151 PolarHBondContact O-N 3.37Å; L148-E151 PolarHBondContact O-N 3.27Å; E151-K153 PolarHBondContact O-N 3.33Å; E151-S154 PolarHBondContact O-N 3.49Å; E151-K155 WeakPolarHBondContact O-CG 2.95Å; E151-K155 PolarHBondContact O-N 3.35Å; E151-K155 WeakPolarHBondContact OE1-CE 3.47Å; E151-K155 IonicContact OE1-NZ 3.63Å; E151-K155 PolarHBondContact OE1-NZ 2.9Å
152	K	84.1	Confident	84.6	Confident	114 Å²	114	88 Å²	88	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-48.1	175.1	176.6	-174	172.4	-171.5	0	111.4	L148 Q149 E150 K155 L156	L148-K152 WeakPolarHBondContact O-CB 3.37Å; L148-K152 PolarHBondContact O-N 2.88Å; Q149-K152 PolarHBondContact O-N 3.47Å; E150-K152 VanDerWaalsContact C-N 3.35Å; E150-K152 PolarHBondContact O-N 3.36Å; K152-K155 PolarHBondContact O-N 2.96Å; K152-L156 HydrophobicContact CG-CD1 3.96Å; K152-L156 HydrophobicContact CG-CG 4.49Å; K152-L156 WeakPolarHBondContact O-CB 3.46Å; K152-L156 WeakPolarHBondContact O-CG 3.46Å; K152-L156 PolarHBondContact O-N 3.45Å
153	K	86.5	Confident	84.6	Confident	131 Å²	131	90.5 Å²	90.5	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-59.8	-48.5	179	179.4	-179.9	172.7	-177.7	0	110.8	Q149 E150 E151 K155 L156 E157	Q149-K153 WeakPolarHBondContact O-CB 3.04Å; Q149-K153 PolarHBondContact O-N 2.82Å; E150-K153 PolarHBondContact O-N 2.92Å; E151-K153 PolarHBondContact O-N 3.33Å; K153-K155 PolarHBondContact O-N 3.33Å; K153-L156 PolarHBondContact O-N 3.1Å; K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.46Å; K153-E157 PolarHBondContact O-N 3.43Å
154	S	84.6	Confident	84.6	Confident	77 Å²	77	89.2 Å²	89.2	54%	0.538	44%	0.44	S	S	.	.	H	α-helix	trans	-58.9	-46	178.6	-177.6	0	0	0	0	112.2	E150 E151 E157 S158	E150-S154 WeakPolarHBondContact O-CB 3.3Å; E150-S154 PolarHBondContact O-N 2.92Å; E151-S154 PolarHBondContact O-N 3.49Å; S154-E157 PolarHBondContact O-N 2.94Å; S154-S158 PolarHBondContact O-N 3.13Å
155	K	85.3	Confident	84.8	Confident	46 Å²	46	86 Å²	86	20%	0.2	44%	0.439	C	S	.	.	H	α-helix	trans	-63.1	-43.8	176	-72.2	-175.5	-178.9	168.3	0	112.2	E151 K152 K153 S158 L159 T217 E220	E151-K155 WeakPolarHBondContact O-CG 2.95Å; E151-K155 PolarHBondContact O-N 3.35Å; E151-K155 WeakPolarHBondContact OE1-CE 3.47Å; E151-K155 IonicContact OE1-NZ 3.63Å; E151-K155 PolarHBondContact OE1-NZ 2.9Å; K152-K155 PolarHBondContact O-N 2.96Å; K153-K155 PolarHBondContact O-N 3.33Å; K155-S158 PolarHBondContact O-N 3.13Å; K155-L159 WeakPolarHBondContact O-CG 3.25Å; K155-L159 PolarHBondContact O-N 2.95Å; K155-T217 HydrophobicContact CB-CG2 3.99Å; K155-T217 HydrophobicContact CD-CG2 4.32Å; K155-T217 HydrophobicContact CG-CG2 3.74Å; K155-E220 PolarHBondContact NZ-O 2.88Å
156	L	85.4	Confident	84.9	Confident	97 Å²	97	83.9 Å²	83.9	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-41.9	177.2	-75.1	173	0	0	0	112.2	K152 K153 S158 L159 Y160	K152-L156 HydrophobicContact CG-CD1 3.96Å; K152-L156 HydrophobicContact CG-CG 4.49Å; K152-L156 WeakPolarHBondContact O-CB 3.46Å; K152-L156 WeakPolarHBondContact O-CG 3.46Å; K152-L156 PolarHBondContact O-N 3.45Å; K153-L156 PolarHBondContact O-N 3.1Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.38Å
157	E	87.1	Confident	84.8	Confident	90 Å²	90	81.6 Å²	81.6	42%	0.421	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-40.4	175.9	-77	-179.6	-172.6	0	0	111.8	K153 S154 Y160 K161	K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.46Å; K153-E157 PolarHBondContact O-N 3.43Å; S154-E157 PolarHBondContact O-N 2.94Å; E157-Y160 PolarHBondContact O-N 2.95Å; E157-K161 VanDerWaalsContact O-CG 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.23Å; E157-K161 PolarHBondContact O-N 3.25Å
158	S	84.8	Confident	84.9	Confident	40 Å²	40	85.8 Å²	85.8	28%	0.28	44%	0.436	S	S	.	.	H	α-helix	trans	-61.5	-48.9	174.4	-174.8	0	0	0	0	111.7	S154 K155 L156 Y160 K161 Q162 T217	S154-S158 PolarHBondContact O-N 3.13Å; K155-S158 PolarHBondContact O-N 3.13Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 3.08Å; S158-Y160 VanDerWaalsContact C-N 3.33Å; S158-Y160 PolarHBondContact O-N 3.23Å; S158-K161 PolarHBondContact O-N 3.49Å; S158-Q162 PolarHBondContact O-N 2.95Å; S158-T217 PolarHBondContact OG-OG1 2.78Å
159	L	85.4	Confident	84.9	Confident	64 Å²	64	83.4 Å²	83.4	34%	0.335	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-40.7	177.1	-70.1	173.8	0	0	0	112.1	K155 L156 Q162 L163 L215	K155-L159 WeakPolarHBondContact O-CG 3.25Å; K155-L159 PolarHBondContact O-N 2.95Å; L156-L159 PolarHBondContact O-N 2.92Å; L159-Q162 PolarHBondContact O-N 3.35Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 PolarHBondContact O-N 2.89Å; L159-L215 HydrophobicContact CD2-CD1 3.61Å; L159-L215 HydrophobicContact CD2-CG 4.48Å
160	Y	84.9	Confident	85	Confident	154 Å²	154	84.5 Å²	84.5	60%	0.604	44%	0.435	S	S	*	.	H	α-helix	trans	-64	-43.2	176.7	-174.5	-100.8	0	0	0	111.7	L156 E157 S158 Q162 L163 V164	L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.38Å; E157-Y160 PolarHBondContact O-N 2.95Å; S158-Y160 VanDerWaalsContact C-N 3.33Å; S158-Y160 PolarHBondContact O-N 3.23Å; Y160-Q162 VanDerWaalsContact C-N 3.33Å; Y160-Q162 PolarHBondContact O-N 3.4Å; Y160-L163 WeakPolarHBondContact O-CB 3.43Å; Y160-L163 PolarHBondContact O-N 3.47Å; Y160-V164 HydrophobicContact CD1-CG2 4.05Å; Y160-V164 HydrophobicContact CE1-CG2 3.65Å; Y160-V164 HydrophobicContact CE2-CG2 4.38Å; Y160-V164 WeakPolarHBondContact O-CG2 3.38Å; Y160-V164 PolarHBondContact O-N 3.4Å
161	K	83.6	Confident	85	Confident	144 Å²	144	83.2 Å²	83.2	63%	0.626	43%	0.432	S	S	*	.	H	α-helix	trans	-59.3	-43.1	174.5	-75.4	171.1	-177.2	170.2	0	111.8	E157 S158 V164 A165	E157-K161 VanDerWaalsContact O-CG 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.23Å; E157-K161 PolarHBondContact O-N 3.25Å; S158-K161 PolarHBondContact O-N 3.49Å; K161-V164 PolarHBondContact O-N 3.04Å; K161-A165 WeakPolarHBondContact O-CB 3.26Å; K161-A165 PolarHBondContact O-N 3.05Å
162	Q	86.3	Confident	85	Confident	61 Å²	61	83.3 Å²	83.3	29%	0.285	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-42.5	174.9	-70.1	-162.5	-75.2	0	0	112.1	S158 L159 Y160 A165 C166 S214 S216	S158-Q162 PolarHBondContact O-N 2.95Å; L159-Q162 PolarHBondContact O-N 3.35Å; Y160-Q162 VanDerWaalsContact C-N 3.33Å; Y160-Q162 PolarHBondContact O-N 3.4Å; Q162-A165 PolarHBondContact O-N 2.95Å; Q162-C166 WeakPolarHBondContact O-CB 3.46Å; Q162-C166 PolarHBondContact O-N 2.96Å; Q162-S214 PolarHBondContact NE2-O 3.28Å; Q162-S216 VanDerWaalsContact NE2-CB 3.28Å; Q162-S216 PolarHBondContact NE2-OG 3.5Å; Q162-S216 VanDerWaalsContact NE2-OG 3.14Å; Q162-S216 PolarHBondContact OE1-OG 2.94Å
163	L	84.8	Confident	85	Confident	120 Å²	120	79.7 Å²	79.7	63%	0.628	43%	0.426	S	S	*	.	H	α-helix	trans	-62.3	-44.2	178.4	-175.1	69.1	0	0	0	111.8	L159 Y160 C166 G167	L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 PolarHBondContact O-N 2.89Å; Y160-L163 WeakPolarHBondContact O-CB 3.43Å; Y160-L163 PolarHBondContact O-N 3.47Å; L163-C166 PolarHBondContact O-N 3.1Å; L163-G167 PolarHBondContact O-N 3.21Å
164	V	86.1	Confident	85.1	Confident	55 Å²	55	79.2 Å²	79.2	33%	0.333	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-46.3	177.4	171.6	0	0	0	0	110.9	Y160 K161 C166 G167 Q168	Y160-V164 HydrophobicContact CD1-CG2 4.05Å; Y160-V164 HydrophobicContact CE1-CG2 3.65Å; Y160-V164 HydrophobicContact CE2-CG2 4.38Å; Y160-V164 WeakPolarHBondContact O-CG2 3.38Å; Y160-V164 PolarHBondContact O-N 3.4Å; K161-V164 PolarHBondContact O-N 3.04Å; V164-C166 VanDerWaalsContact C-N 3.32Å; V164-C166 PolarHBondContact O-N 3.44Å; V164-G167 PolarHBondContact O-N 2.66Å; V164-Q168 HydrophobicContact CG1-CG 4.49Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3.36Å
165	A	83.9	Confident	85.2	Confident	54 Å²	54	80 Å²	80	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.7	0	0	0	0	0	111.9	K161 Q162 Q168 A169	K161-A165 WeakPolarHBondContact O-CB 3.26Å; K161-A165 PolarHBondContact O-N 3.05Å; Q162-A165 PolarHBondContact O-N 2.95Å; A165-Q168 PolarHBondContact O-N 3.26Å; A165-A169 PolarHBondContact O-N 3.46Å
166	C	84.1	Confident	85.2	Confident	47 Å²	47	78.5 Å²	78.5	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-41.7	175.4	-171.9	0	0	0	0	112	Q162 L163 V164 A169 L170	Q162-C166 WeakPolarHBondContact O-CB 3.46Å; Q162-C166 PolarHBondContact O-N 2.96Å; L163-C166 PolarHBondContact O-N 3.1Å; V164-C166 VanDerWaalsContact C-N 3.32Å; V164-C166 PolarHBondContact O-N 3.44Å; C166-A169 PolarHBondContact O-N 3.05Å; C166-L170 WeakPolarHBondContact O-CG 3.44Å; C166-L170 PolarHBondContact O-N 3.46Å
167	G	84.3	Confident	85.1	Confident	29 Å²	29	78.1 Å²	78.1	30%	0.299	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-46	174.4	0	0	0	0	0	112.7	L163 V164 A169 L170 D171	L163-G167 PolarHBondContact O-N 3.21Å; V164-G167 PolarHBondContact O-N 2.66Å; G167-A169 VanDerWaalsContact C-N 3.33Å; G167-A169 PolarHBondContact O-N 2.87Å; G167-L170 WeakPolarHBondContact O-CB 3.47Å; G167-L170 PolarHBondContact O-N 3.24Å; G167-D171 PolarHBondContact O-N 2.94Å
168	Q	85.6	Confident	85	Confident	123 Å²	123	78.9 Å²	78.9	58%	0.575	41%	0.414	S	S	*	.	H	α-helix	trans	-60.8	-41.9	176.6	-72.2	174.3	-12.7	0	0	112	V164 A165 L170 D171 T172	V164-Q168 HydrophobicContact CG1-CG 4.49Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3.36Å; A165-Q168 PolarHBondContact O-N 3.26Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-D171 PolarHBondContact O-N 2.91Å; Q168-T172 WeakPolarHBondContact O-CG2 3.39Å; Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.18Å
169	A	83.6	Confident	84.9	Confident	21 Å²	21	79.1 Å²	79.1	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-34.4	176.2	0	0	0	0	0	112.8	A165 C166 G167 T172 S173 I211	A165-A169 PolarHBondContact O-N 3.46Å; C166-A169 PolarHBondContact O-N 3.05Å; G167-A169 VanDerWaalsContact C-N 3.33Å; G167-A169 PolarHBondContact O-N 2.87Å; A169-T172 WeakPolarHBondContact CA-OG1 3.41Å; A169-T172 PolarHBondContact O-OG1 2.89Å; A169-S173 VanDerWaalsContact O-CB 3.28Å; A169-S173 WeakPolarHBondContact O-CB 3.15Å; A169-S173 PolarHBondContact O-N 3.48Å; A169-I211 HydrophobicContact CB-CD1 3.88Å
170	L	84.5	Confident	84.7	Confident	114 Å²	114	78 Å²	78	60%	0.597	41%	0.414	S	S	*	.	H	α-helix	trans	-67.5	-42.3	173.2	-76.5	170.2	0	0	0	111.8	C166 G167 Q168 S173 K174	C166-L170 WeakPolarHBondContact O-CG 3.44Å; C166-L170 PolarHBondContact O-N 3.46Å; G167-L170 WeakPolarHBondContact O-CB 3.47Å; G167-L170 PolarHBondContact O-N 3.24Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; L170-S173 WeakPolarHBondContact O-CB 3.41Å; L170-S173 PolarHBondContact O-N 2.93Å; L170-K174 WeakPolarHBondContact O-CB 3.3Å; L170-K174 PolarHBondContact O-N 3.38Å
171	D	86.3	Confident	84.5	Confident	111 Å²	111	76 Å²	76	59%	0.594	41%	0.41	S	S	*	.	H	α-helix	trans	-65.4	-43.9	179.1	-74.9	-27.6	0	0	0	111.7	G167 Q168 S173 K174 E175	G167-D171 PolarHBondContact O-N 2.94Å; Q168-D171 PolarHBondContact O-N 2.91Å; D171-S173 PolarHBondContact O-N 3.46Å; D171-K174 PolarHBondContact O-N 3.43Å; D171-E175 PolarHBondContact O-N 3.27Å
172	T	84.8	Confident	84.4	Confident	58 Å²	58	75.1 Å²	75.1	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-40.2	174.7	52.8	0	0	0	0	111.8	Q168 A169 K174 E175 L176	Q168-T172 WeakPolarHBondContact O-CG2 3.39Å; Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.18Å; A169-T172 WeakPolarHBondContact CA-OG1 3.41Å; A169-T172 PolarHBondContact O-OG1 2.89Å; T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 3.47Å; T172-E175 PolarHBondContact O-N 3.39Å; T172-L176 WeakPolarHBondContact O-CB 3.18Å; T172-L176 VanDerWaalsContact O-CG 3.32Å; T172-L176 WeakPolarHBondContact O-CG 3.29Å; T172-L176 PolarHBondContact O-N 2.98Å
173	S	84.1	Confident	84	Confident	37 Å²	37	73 Å²	73	26%	0.259	40%	0.4	S	S	.	.	H	α-helix	trans	-59.5	-44.6	173.3	-175.3	0	0	0	0	111.5	A169 L170 D171 L176 I177	A169-S173 VanDerWaalsContact O-CB 3.28Å; A169-S173 WeakPolarHBondContact O-CB 3.15Å; A169-S173 PolarHBondContact O-N 3.48Å; L170-S173 WeakPolarHBondContact O-CB 3.41Å; L170-S173 PolarHBondContact O-N 2.93Å; D171-S173 PolarHBondContact O-N 3.46Å; S173-L176 PolarHBondContact O-N 2.91Å; S173-I177 VanDerWaalsContact O-CG1 3.27Å; S173-I177 WeakPolarHBondContact O-CG1 3.49Å; S173-I177 PolarHBondContact O-N 3.39Å
174	K	87.2	Confident	83.4	Confident	121 Å²	121	76.4 Å²	76.4	53%	0.526	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-44.2	178	-170	-173.6	176	-150.4	0	112.1	L170 D171 T172 L176 I177 E178	L170-K174 WeakPolarHBondContact O-CB 3.3Å; L170-K174 PolarHBondContact O-N 3.38Å; D171-K174 PolarHBondContact O-N 3.43Å; T172-K174 VanDerWaalsContact C-N 3.33Å; T172-K174 PolarHBondContact O-N 3.47Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.48Å; K174-I177 PolarHBondContact O-N 3.05Å; K174-E178 WeakPolarHBondContact CE-OE1 3.3Å; K174-E178 IonicContact NZ-OE1 3.6Å; K174-E178 PolarHBondContact O-N 3.37Å
175	E	87.6	Confident	83	Confident	94 Å²	94	82.8 Å²	82.8	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-44.5	175.6	-170.7	-158.6	142.7	0	0	111.3	D171 T172 I177 E178 T179 R202	D171-E175 PolarHBondContact O-N 3.27Å; T172-E175 PolarHBondContact O-N 3.39Å; E175-I177 VanDerWaalsContact C-N 3.32Å; E175-I177 PolarHBondContact O-N 2.95Å; E175-E178 PolarHBondContact O-N 2.99Å; E175-T179 HydrophobicContact CG-CG2 4.47Å; E175-T179 WeakPolarHBondContact O-CB 3.35Å; E175-T179 VanDerWaalsContact O-CG2 3.32Å; E175-T179 WeakPolarHBondContact O-CG2 3.49Å; E175-T179 PolarHBondContact O-N 3.43Å; E175-T179 PolarHBondContact O-OG1 3.17Å; E175-R202 IonicContact OE1-NH2 2.7Å
176	L	84.8	Confident	82.5	Confident	15 Å²	15	82.7 Å²	82.7	8%	0.079	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-39.1	176.6	-73.7	172.1	0	0	0	112	T172 S173 K174 T179 A180 R202 V203 F206	T172-L176 WeakPolarHBondContact O-CB 3.18Å; T172-L176 VanDerWaalsContact O-CG 3.32Å; T172-L176 WeakPolarHBondContact O-CG 3.29Å; T172-L176 PolarHBondContact O-N 2.98Å; S173-L176 PolarHBondContact O-N 2.91Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.48Å; L176-T179 WeakPolarHBondContact CA-OG1 3.39Å; L176-T179 PolarHBondContact O-OG1 3.48Å; L176-T179 VanDerWaalsContact O-OG1 3.06Å; L176-A180 VanDerWaalsContact O-CB 3.23Å; L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 2.92Å; L176-R202 HydrophobicContact CD2-CB 3.95Å; L176-V203 HydrophobicContact CB-CG2 4.29Å; L176-V203 HydrophobicContact CD2-CG2 4.34Å; L176-F206 HydrophobicContact CD1-CB 3.76Å; L176-F206 HydrophobicContact CD1-CD1 4.04Å; L176-F206 HydrophobicContact CD1-CD2 4.42Å; L176-F206 HydrophobicContact CD1-CG 3.82Å
177	I	83.3	Confident	81.6	Confident	89 Å²	89	89.8 Å²	89.8	46%	0.456	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-46.8	175.9	-68.3	164.5	0	0	0	111	S173 K174 E175 A180 Q181	S173-I177 VanDerWaalsContact O-CG1 3.27Å; S173-I177 WeakPolarHBondContact O-CG1 3.49Å; S173-I177 PolarHBondContact O-N 3.39Å; K174-I177 PolarHBondContact O-N 3.05Å; E175-I177 VanDerWaalsContact C-N 3.32Å; E175-I177 PolarHBondContact O-N 2.95Å; I177-A180 PolarHBondContact O-N 3.27Å; I177-Q181 HydrophobicContact CG2-CG 4.48Å; I177-Q181 WeakPolarHBondContact O-CB 3.38Å; I177-Q181 VanDerWaalsContact O-CG 3.31Å; I177-Q181 WeakPolarHBondContact O-CG 3.47Å; I177-Q181 PolarHBondContact O-N 2.97Å
178	E	85.8	Confident	81.2	Confident	105 Å²	105	92.4 Å²	92.4	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-44.7	179.7	-76	-179.5	-175.4	0	0	111.5	K174 E175 A180 Q181 E182	K174-E178 WeakPolarHBondContact CE-OE1 3.3Å; K174-E178 IonicContact NZ-OE1 3.6Å; K174-E178 PolarHBondContact O-N 3.37Å; E175-E178 PolarHBondContact O-N 2.99Å; E178-A180 PolarHBondContact O-N 3.49Å; E178-Q181 PolarHBondContact O-N 3.49Å; E178-E182 PolarHBondContact O-N 2.86Å
179	T	83	Confident	80.4	Confident	45 Å²	45	94.4 Å²	94.4	28%	0.276	46%	0.464	S	S	.	.	H	α-helix	trans	-65.4	-38	177.2	52.8	0	0	0	0	112.6	E175 L176 E182 V183	E175-T179 HydrophobicContact CG-CG2 4.47Å; E175-T179 WeakPolarHBondContact O-CB 3.35Å; E175-T179 VanDerWaalsContact O-CG2 3.32Å; E175-T179 WeakPolarHBondContact O-CG2 3.49Å; E175-T179 PolarHBondContact O-N 3.43Å; E175-T179 PolarHBondContact O-OG1 3.17Å; L176-T179 WeakPolarHBondContact CA-OG1 3.39Å; L176-T179 PolarHBondContact O-OG1 3.48Å; L176-T179 VanDerWaalsContact O-OG1 3.06Å; T179-E182 PolarHBondContact O-N 3.23Å; T179-V183 PolarHBondContact O-N 3.02Å; T179-V183 VanDerWaalsContact O-N 3.12Å
180	A	80.3	Confident	79.8	Confident	40 Å²	40	103.9 Å²	103.9	33%	0.331	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-40.7	173.2	0	0	0	0	0	112.2	L176 I177 E178 Y184 I199	L176-A180 VanDerWaalsContact O-CB 3.23Å; L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 2.92Å; I177-A180 PolarHBondContact O-N 3.27Å; E178-A180 PolarHBondContact O-N 3.49Å; A180-Y184 PolarHBondContact O-N 3.02Å; A180-Y184 VanDerWaalsContact O-N 3.08Å; A180-I199 HydrophobicContact CB-CG2 4.15Å
181	Q	81.6	Confident	79.2	Confident	113 Å²	113	103.2 Å²	103.2	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-39.4	176.5	-75.5	178.6	-1.4	0	0	112.5	I177 E178 Y184 R185	I177-Q181 HydrophobicContact CG2-CG 4.48Å; I177-Q181 WeakPolarHBondContact O-CB 3.38Å; I177-Q181 VanDerWaalsContact O-CG 3.31Å; I177-Q181 WeakPolarHBondContact O-CG 3.47Å; I177-Q181 PolarHBondContact O-N 2.97Å; E178-Q181 PolarHBondContact O-N 3.49Å; Q181-Y184 WeakPolarHBondContact O-CB 3.28Å; Q181-Y184 PolarHBondContact O-N 3.22Å; Q181-R185 PolarHBondContact O-N 2.77Å
182	E	80.1	Confident	78.7	Confident	125 Å²	125	100.8 Å²	100.8	58%	0.584	48%	0.476	S	S	*	.	H	α-helix	trans	-67.8	-40.6	179	-170.7	58.3	-158.3	0	0	111.6	E178 T179 Y184 R185 C186	E178-E182 PolarHBondContact O-N 2.86Å; T179-E182 PolarHBondContact O-N 3.23Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 3.45Å; E182-R185 PolarHBondContact O-N 3.45Å; E182-R185 VanDerWaalsContact O-N 3.12Å; E182-C186 PolarHBondContact O-N 2.9Å
183	V	78.6	Confident	78.1	Confident	18 Å²	18	103.4 Å²	103.4	11%	0.109	49%	0.488	C	S	.	.	H	α-helix	trans	-63.7	-37.7	172.6	170.6	0	0	0	0	111.5	T179 R185 C186 F192 T195 V196 I199	T179-V183 PolarHBondContact O-N 3.02Å; T179-V183 VanDerWaalsContact O-N 3.12Å; V183-R185 PolarHBondContact O-N 3.4Å; V183-C186 VanDerWaalsContact O-CB 3.24Å; V183-C186 WeakPolarHBondContact O-CB 3.49Å; V183-C186 PolarHBondContact O-N 3.13Å; V183-C186 VanDerWaalsContact O-N 3.12Å; V183-F192 HydrophobicContact CG1-CD2 3.74Å; V183-F192 HydrophobicContact CG1-CE2 3.81Å; V183-F192 WeakPolarHBondContact O-CD2 3.35Å; V183-F192 WeakPolarHBondContact O-CE2 3.42Å; V183-T195 HydrophobicContact CG2-CG2 3.86Å; V183-V196 HydrophobicContact CG1-CB 3.97Å; V183-V196 HydrophobicContact CG1-CG2 4.13Å; V183-I199 HydrophobicContact CB-CD1 4.14Å; V183-I199 HydrophobicContact CG2-CD1 3.3Å
184	Y	72.5	Confident	77.6	Confident	191 Å²	191	110 Å²	110	75%	0.749	51%	0.511	S	S	*	.	H	α-helix	trans	-60.9	-29.4	174	-172.2	-95.5	0	0	0	113.5	A180 Q181 E182 C186	A180-Y184 PolarHBondContact O-N 3.02Å; A180-Y184 VanDerWaalsContact O-N 3.08Å; Q181-Y184 WeakPolarHBondContact O-CB 3.28Å; Q181-Y184 PolarHBondContact O-N 3.22Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 3.45Å; Y184-C186 VanDerWaalsContact C-N 3.32Å
185	R	77.7	Confident	77.1	Confident	188 Å²	188	107 Å²	107	71%	0.709	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.2	177.8	-73.1	-178	171.6	171.9	0.5	114.2	Q181 E182 V183 Q187	Q181-R185 PolarHBondContact O-N 2.77Å; E182-R185 PolarHBondContact O-N 3.45Å; E182-R185 VanDerWaalsContact O-N 3.12Å; V183-R185 PolarHBondContact O-N 3.4Å; R185-Q187 PolarHBondContact O-N 3.46Å
186	C	72.1	Confident	76.7	Confident	53 Å²	53	104.2 Å²	104.2	36%	0.358	49%	0.493	S	S	.	.			trans	-69.2	120.9	-177.1	-146.8	0	0	0	0	111	E182 V183 Y184	E182-C186 PolarHBondContact O-N 2.9Å; V183-C186 VanDerWaalsContact O-CB 3.24Å; V183-C186 WeakPolarHBondContact O-CB 3.49Å; V183-C186 PolarHBondContact O-N 3.13Å; V183-C186 VanDerWaalsContact O-N 3.12Å; Y184-C186 VanDerWaalsContact C-N 3.32Å
187	Q	66.3	Low	76.4	Confident	196 Å²	196	110.3 Å²	110.3	92%	0.916	52%	0.522	S	S	*	.			trans	-83.4	-9.1	-177.9	-66.5	-175.2	1	0	0	114.1	R185	R185-Q187 PolarHBondContact O-N 3.46Å
188	D	75	Confident	76.3	Confident	84 Å²	84	109.5 Å²	109.5	45%	0.449	52%	0.523	S	S	.	.			trans	-94.4	107.6	179.2	-175	-24.8	0	0	0	110.8	R190 L191 F192	D188-R190 PolarHBondContact O-N 2.97Å; D188-R190 PolarHBondContact OD1-N 3.49Å; D188-L191 HydrophobicContact CB-CB 4.09Å; D188-L191 PolarHBondContact O-N 2.83Å; D188-L191 PolarHBondContact OD1-N 3.2Å; D188-F192 WeakPolarHBondContact O-CB 3.43Å; D188-F192 PolarHBondContact O-N 3.38Å
189	E	69.4	Low	76	Confident	165 Å²	165	105.7 Å²	105.7	77%	0.771	51%	0.506	S	S	*	.	H	α-helix	trans	-57.4	-31.5	-177.5	-71.3	-175.7	158.7	0	0	113.8	L193	E189-L193 WeakPolarHBondContact O-CG 3.49Å; E189-L193 PolarHBondContact O-N 3.19Å
190	R	72.1	Confident	75.9	Confident	220 Å²	220	106.9 Å²	106.9	83%	0.83	51%	0.513	S	S	*	.	H	α-helix	trans	-78.4	-37.7	180	-90	-178.9	170.6	166.2	-1.3	112.1	D188 K194	D188-R190 PolarHBondContact O-N 2.97Å; D188-R190 PolarHBondContact OD1-N 3.49Å; R190-K194 PolarHBondContact O-N 3.18Å
191	L	69.9	Low	75.9	Confident	99 Å²	99	111 Å²	111	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-72	-36.3	175.2	-122.1	98	0	0	0	111.4	D188 K194 T195	D188-L191 HydrophobicContact CB-CB 4.09Å; D188-L191 PolarHBondContact O-N 2.83Å; D188-L191 PolarHBondContact OD1-N 3.2Å; L191-K194 PolarHBondContact O-N 3.46Å; L191-T195 WeakPolarHBondContact O-CB 3.46Å; L191-T195 PolarHBondContact O-N 3.22Å; L191-T195 VanDerWaalsContact O-N 3.14Å; L191-T195 PolarHBondContact O-OG1 3.13Å
192	F	77.1	Confident	75.9	Confident	61 Å²	61	111.5 Å²	111.5	27%	0.268	52%	0.52	S	S	.	.	H	α-helix	trans	-58.7	-55.1	176	177.9	-100.9	0	0	0	111.7	V183 D188 K194 T195 V196	V183-F192 HydrophobicContact CG1-CD2 3.74Å; V183-F192 HydrophobicContact CG1-CE2 3.81Å; V183-F192 WeakPolarHBondContact O-CD2 3.35Å; V183-F192 WeakPolarHBondContact O-CE2 3.42Å; D188-F192 WeakPolarHBondContact O-CB 3.43Å; D188-F192 PolarHBondContact O-N 3.38Å; F192-K194 PolarHBondContact O-N 3.22Å; F192-T195 PolarHBondContact O-N 2.75Å; F192-T195 VanDerWaalsContact O-N 3.11Å; F192-V196 HydrophobicContact CE1-CB 4.45Å; F192-V196 HydrophobicContact CE1-CG1 4.32Å; F192-V196 HydrophobicContact CE1-CG2 4.45Å; F192-V196 HydrophobicContact CE2-CB 4.43Å; F192-V196 HydrophobicContact CE2-CG2 4.2Å; F192-V196 HydrophobicContact CZ-CB 4.29Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 WeakPolarHBondContact O-CB 3.37Å; F192-V196 WeakPolarHBondContact O-CG1 3.5Å; F192-V196 PolarHBondContact O-N 2.9Å
193	L	71.7	Confident	75.9	Confident	113 Å²	113	108.4 Å²	108.4	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-30	-178.4	-75.9	167.3	0	0	0	113.2	E189	E189-L193 WeakPolarHBondContact O-CG 3.49Å; E189-L193 PolarHBondContact O-N 3.19Å
194	K	74.7	Confident	76	Confident	175 Å²	175	112.8 Å²	112.8	76%	0.761	53%	0.529	S	S	*	.	H	α-helix	trans	-74.7	-32.2	177.3	-166.7	178.5	178.7	-175.6	0	112.6	R190 L191 F192	R190-K194 PolarHBondContact O-N 3.18Å; L191-K194 PolarHBondContact O-N 3.46Å; F192-K194 PolarHBondContact O-N 3.22Å
195	T	75.9	Confident	76.4	Confident	58 Å²	58	108.6 Å²	108.6	36%	0.356	52%	0.517	S	S	.	.	H	α-helix	trans	-97.3	-26.1	-172.6	-36.9	0	0	0	0	113	V183 L191 F192 P198 I199	V183-T195 HydrophobicContact CG2-CG2 3.86Å; L191-T195 WeakPolarHBondContact O-CB 3.46Å; L191-T195 PolarHBondContact O-N 3.22Å; L191-T195 VanDerWaalsContact O-N 3.14Å; L191-T195 PolarHBondContact O-OG1 3.13Å; F192-T195 PolarHBondContact O-N 2.75Å; F192-T195 VanDerWaalsContact O-N 3.11Å; T195-P198 WeakPolarHBondContact O-CD 3.49Å; T195-I199 HydrophobicContact CG2-CD1 4.15Å; T195-I199 WeakPolarHBondContact O-CG1 3.23Å
196	V	79.5	Confident	76.5	Confident	36 Å²	36	101.8 Å²	101.8	22%	0.218	49%	0.492	C	S	.	.	H	α-helix	trans	-71.9	-40.6	-174.5	78.5	0	0	0	0	113.1	V183 F192 I199 V200	V183-V196 HydrophobicContact CG1-CB 3.97Å; V183-V196 HydrophobicContact CG1-CG2 4.13Å; F192-V196 HydrophobicContact CE1-CB 4.45Å; F192-V196 HydrophobicContact CE1-CG1 4.32Å; F192-V196 HydrophobicContact CE1-CG2 4.45Å; F192-V196 HydrophobicContact CE2-CB 4.43Å; F192-V196 HydrophobicContact CE2-CG2 4.2Å; F192-V196 HydrophobicContact CZ-CB 4.29Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 WeakPolarHBondContact O-CB 3.37Å; F192-V196 WeakPolarHBondContact O-CG1 3.5Å; F192-V196 PolarHBondContact O-N 2.9Å; V196-I199 PolarHBondContact O-N 3.47Å; V196-V200 HydrophobicContact CG2-CG2 4.19Å; V196-V200 WeakPolarHBondContact O-CG2 3.32Å; V196-V200 PolarHBondContact O-N 2.95Å
197	M	78.2	Confident	76.6	Confident	142 Å²	142	103.2 Å²	103.2	70%	0.7	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-43.1	-177	-115	141.2	62.1	0	0	113.5	I199 K201	M197-I199 PolarHBondContact O-N 3.41Å; M197-K201 WeakPolarHBondContact O-CB 3.33Å; M197-K201 PolarHBondContact O-N 3.45Å; M197-K201 VanDerWaalsContact O-N 3.12Å
198	P	81.2	Confident	77.1	Confident	73 Å²	73	101.8 Å²	101.8	47%	0.474	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-37.4	172.3	-24.6	33	0	0	0	114.1	T195 R202	T195-P198 WeakPolarHBondContact O-CD 3.49Å; P198-R202 PolarHBondContact O-N 3.45Å
199	I	79.8	Confident	77.1	Confident	25 Å²	25	104 Å²	104	13%	0.128	51%	0.506	C	S	.	.	H	α-helix	trans	-73.6	-44.9	-179	-67.7	169	0	0	0	110.7	A180 V183 T195 V196 M197 K201 R202 V203	A180-I199 HydrophobicContact CB-CG2 4.15Å; V183-I199 HydrophobicContact CB-CD1 4.14Å; V183-I199 HydrophobicContact CG2-CD1 3.3Å; T195-I199 HydrophobicContact CG2-CD1 4.15Å; T195-I199 WeakPolarHBondContact O-CG1 3.23Å; V196-I199 PolarHBondContact O-N 3.47Å; M197-I199 PolarHBondContact O-N 3.41Å; I199-K201 PolarHBondContact O-N 2.98Å; I199-R202 PolarHBondContact O-N 3.5Å; I199-R202 VanDerWaalsContact O-N 3.1Å; I199-V203 HydrophobicContact CG2-CG2 4.34Å; I199-V203 WeakPolarHBondContact O-CG2 3.38Å; I199-V203 PolarHBondContact O-N 2.89Å
200	V	79.4	Confident	76.6	Confident	69 Å²	69	104 Å²	104	42%	0.418	51%	0.511	S	S	.	.	H	α-helix	trans	-56.6	-41.7	174.3	171.2	0	0	0	0	110.3	V196 V203 E204	V196-V200 HydrophobicContact CG2-CG2 4.19Å; V196-V200 WeakPolarHBondContact O-CG2 3.32Å; V196-V200 PolarHBondContact O-N 2.95Å; V200-V203 PolarHBondContact O-N 3.44Å; V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact O-CB 3.44Å; V200-E204 WeakPolarHBondContact O-CG 3.36Å; V200-E204 PolarHBondContact O-N 2.9Å
201	K	81.8	Confident	76.4	Confident	127 Å²	127	97.1 Å²	97.1	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-43.6	175.4	-169.7	178.2	174.8	-173.6	0	112.9	M197 I199 V203 E204 E205	M197-K201 WeakPolarHBondContact O-CB 3.33Å; M197-K201 PolarHBondContact O-N 3.45Å; M197-K201 VanDerWaalsContact O-N 3.12Å; I199-K201 PolarHBondContact O-N 2.98Å; K201-V203 VanDerWaalsContact C-N 3.34Å; K201-V203 PolarHBondContact O-N 2.9Å; K201-E204 PolarHBondContact O-N 3.31Å; K201-E205 WeakPolarHBondContact CE-OE1 3.35Å; K201-E205 WeakPolarHBondContact O-CB 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.38Å; K201-E205 PolarHBondContact O-N 3.26Å
202	R	82	Confident	76	Confident	123 Å²	123	98.3 Å²	98.3	46%	0.464	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-39.3	174.7	-80.8	179.3	69.5	-171.2	-1.9	112.3	E175 L176 P198 I199 F206	E175-R202 IonicContact OE1-NH2 2.7Å; L176-R202 HydrophobicContact CD2-CB 3.95Å; P198-R202 PolarHBondContact O-N 3.45Å; I199-R202 PolarHBondContact O-N 3.5Å; I199-R202 VanDerWaalsContact O-N 3.1Å; R202-F206 PolarHBondContact O-N 2.87Å
203	V	79.8	Confident	75.4	Confident	61 Å²	61	102.3 Å²	102.3	37%	0.37	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-43.6	177.1	172.8	0	0	0	0	111	L176 I199 V200 K201 E205 F206 A207	L176-V203 HydrophobicContact CB-CG2 4.29Å; L176-V203 HydrophobicContact CD2-CG2 4.34Å; I199-V203 HydrophobicContact CG2-CG2 4.34Å; I199-V203 WeakPolarHBondContact O-CG2 3.38Å; I199-V203 PolarHBondContact O-N 2.89Å; V200-V203 PolarHBondContact O-N 3.44Å; K201-V203 VanDerWaalsContact C-N 3.34Å; K201-V203 PolarHBondContact O-N 2.9Å; V203-E205 VanDerWaalsContact C-N 3.34Å; V203-F206 PolarHBondContact O-N 3.44Å; V203-A207 VanDerWaalsContact O-CB 3.27Å; V203-A207 WeakPolarHBondContact O-CB 3.46Å; V203-A207 PolarHBondContact O-N 2.96Å
204	E	79.7	Confident	75.1	Confident	110 Å²	110	100 Å²	100	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-33.7	176.2	-76.8	-178.6	176.5	0	0	113	V200 K201 K208	V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact O-CB 3.44Å; V200-E204 WeakPolarHBondContact O-CG 3.36Å; V200-E204 PolarHBondContact O-N 2.9Å; K201-E204 PolarHBondContact O-N 3.31Å; E204-K208 WeakPolarHBondContact O-CG 3.21Å; E204-K208 PolarHBondContact O-N 3.45Å
205	E	80.9	Confident	74.7	Confident	103 Å²	103	96.4 Å²	96.4	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-68.7	-45.7	174.7	-78	172.2	179.1	0	0	111.2	K201 V203 A207 K208	K201-E205 WeakPolarHBondContact CE-OE1 3.35Å; K201-E205 WeakPolarHBondContact O-CB 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.38Å; K201-E205 PolarHBondContact O-N 3.26Å; V203-E205 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.39Å; E205-K208 PolarHBondContact O-N 2.95Å
206	F	79.9	Confident	74.2	Confident	45 Å²	45	97.3 Å²	97.3	20%	0.197	51%	0.511	C	S	.	.	H	α-helix	trans	-65.6	-37.6	175.4	-173.6	-102.3	0	0	0	112.5	L176 R202 V203 K208 E209 I211	L176-F206 HydrophobicContact CD1-CB 3.76Å; L176-F206 HydrophobicContact CD1-CD1 4.04Å; L176-F206 HydrophobicContact CD1-CD2 4.42Å; L176-F206 HydrophobicContact CD1-CG 3.82Å; R202-F206 PolarHBondContact O-N 2.87Å; V203-F206 PolarHBondContact O-N 3.44Å; F206-K208 PolarHBondContact O-N 3.27Å; F206-K208 VanDerWaalsContact O-N 3.17Å; F206-E209 WeakPolarHBondContact O-CB 3.49Å; F206-E209 PolarHBondContact O-N 3.37Å; F206-I211 HydrophobicContact CE1-CD1 4.41Å; F206-I211 HydrophobicContact CZ-CD1 3.91Å
207	A	73.9	Confident	73.7	Confident	82 Å²	82	96.7 Å²	96.7	68%	0.678	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.5	176.8	0	0	0	0	0	114	V203 E205	V203-A207 VanDerWaalsContact O-CB 3.27Å; V203-A207 WeakPolarHBondContact O-CB 3.46Å; V203-A207 PolarHBondContact O-N 2.96Å; E205-A207 PolarHBondContact O-N 3.39Å
208	K	76.6	Confident	73.5	Confident	167 Å²	167	93.6 Å²	93.6	73%	0.726	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.5	172.2	-73.4	170.1	-175.4	168.8	0	113	E204 E205 F206 D210	E204-K208 WeakPolarHBondContact O-CG 3.21Å; E204-K208 PolarHBondContact O-N 3.45Å; E205-K208 PolarHBondContact O-N 2.95Å; F206-K208 PolarHBondContact O-N 3.27Å; F206-K208 VanDerWaalsContact O-N 3.17Å; K208-D210 PolarHBondContact O-N 2.9Å
209	E	75.2	Confident	72.9	Confident	129 Å²	129	97.1 Å²	97.1	60%	0.603	51%	0.513	S	S	*	.	S	Bend	trans	-76.1	113.4	171	-74.7	-176.5	155.2	0	0	108.8	F206 I211	F206-E209 WeakPolarHBondContact O-CB 3.49Å; F206-E209 PolarHBondContact O-N 3.37Å; E209-I211 PolarHBondContact O-N 2.88Å
210	D	60.3	Low	72.4	Confident	165 Å²	165	103.4 Å²	103.4	88%	0.882	54%	0.542	S	S	*	.			trans	-78.9	102.1	177	-145.9	-0.1	0	0	0	108.1	K208 D212	K208-D210 PolarHBondContact O-N 2.9Å; D210-D212 PolarHBondContact O-N 3.26Å
211	I	66.4	Low	71.6	Confident	77 Å²	77	106.9 Å²	106.9	40%	0.395	55%	0.552	S	S	.	*			trans	-79.7	102	177.3	-59.4	166.4	0	0	0	107.4	A169 F206 E209 L213	A169-I211 HydrophobicContact CB-CD1 3.88Å; F206-I211 HydrophobicContact CE1-CD1 4.41Å; F206-I211 HydrophobicContact CZ-CD1 3.91Å; E209-I211 PolarHBondContact O-N 2.88Å; I211-L213 PolarHBondContact O-N 3.48Å
212	D	62.3	Low	70.5	Confident	123 Å²	123	104.9 Å²	104.9	66%	0.658	55%	0.554	S	S	*	*			trans	-67.8	114.3	175.6	-175	14.9	0	0	0	110.6	D210 S214	D210-D212 PolarHBondContact O-N 3.26Å; D212-S214 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact CG-OG 3.27Å; D212-S214 WeakPolarHBondContact OD1-CB 3.28Å; D212-S214 PolarHBondContact OD1-N 2.87Å; D212-S214 PolarHBondContact OD1-OG 3.41Å; D212-S214 PolarHBondContact OD2-OG 3.36Å
213	L	63.8	Low	69.4	Low	146 Å²	146	103.5 Å²	103.5	76%	0.764	56%	0.559	S	S	*	*			trans	-94.1	11.1	178.8	-69.7	164.7	0	0	0	112.4	I211	I211-L213 PolarHBondContact O-N 3.48Å
214	S	65.1	Low	68.5	Low	64 Å²	64	105.3 Å²	105.3	45%	0.448	57%	0.572	S	S	.	*	S	Bend	trans	-76.7	142	178.7	78.6	0	0	0	0	112.6	Q162 D212 S216	Q162-S214 PolarHBondContact NE2-O 3.28Å; D212-S214 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact CG-OG 3.27Å; D212-S214 WeakPolarHBondContact OD1-CB 3.28Å; D212-S214 PolarHBondContact OD1-N 2.87Å; D212-S214 PolarHBondContact OD1-OG 3.41Å; D212-S214 PolarHBondContact OD2-OG 3.36Å; S214-S216 PolarHBondContact O-N 2.88Å
215	L	67.1	Low	67.4	Low	100 Å²	100	108.5 Å²	108.5	52%	0.524	59%	0.592	S	S	.	*			trans	-70.5	116	178.1	-168	76.4	0	0	0	108.9	L159 T217 L219	L159-L215 HydrophobicContact CD2-CD1 3.61Å; L159-L215 HydrophobicContact CD2-CG 4.48Å; L215-T217 VanDerWaalsContact C-N 3.31Å; L215-T217 WeakPolarHBondContact CD2-O 3.46Å; L215-T217 PolarHBondContact O-N 3.5Å; L215-L219 HydrophobicContact CD2-CD1 3.79Å; L215-L219 HydrophobicContact CD2-CG 4.05Å
216	S	65.5	Low	66.6	Low	76 Å²	76	106.2 Å²	106.2	53%	0.531	59%	0.591	S	S	.	*			trans	-79.3	-15	-175.5	66	0	0	0	0	113.8	Q162 S214	Q162-S216 VanDerWaalsContact NE2-CB 3.28Å; Q162-S216 PolarHBondContact NE2-OG 3.5Å; Q162-S216 VanDerWaalsContact NE2-OG 3.14Å; Q162-S216 PolarHBondContact OE1-OG 2.94Å; S214-S216 PolarHBondContact O-N 2.88Å
217	T	69.6	Low	66	Low	23 Å²	23	109.5 Å²	109.5	14%	0.141	61%	0.611	C	S	.	*	S	Bend	trans	-118.4	128.5	-167.5	-50.8	0	0	0	0	110.2	K155 S158 L215	K155-T217 HydrophobicContact CB-CG2 3.99Å; K155-T217 HydrophobicContact CD-CG2 4.32Å; K155-T217 HydrophobicContact CG-CG2 3.74Å; S158-T217 PolarHBondContact OG-OG1 2.78Å; L215-T217 VanDerWaalsContact C-N 3.31Å; L215-T217 WeakPolarHBondContact CD2-O 3.46Å; L215-T217 PolarHBondContact O-N 3.5Å
218	S	72.4	Confident	66.1	Low	77 Å²	77	110.4 Å²	110.4	54%	0.538	60%	0.604	S	S	.	*			trans	-66.2	137.6	177.2	-180	0	0	0	0	111.8	E220	S218-E220 PolarHBondContact OG-N 2.99Å
219	L	68.9	Low	66.1	Low	147 Å²	147	104.7 Å²	104.7	77%	0.77	58%	0.584	S	S	*	*			trans	-83.2	-13.3	177.8	-74.6	151	0	0	0	113.1	L215	L215-L219 HydrophobicContact CD2-CD1 3.79Å; L215-L219 HydrophobicContact CD2-CG 4.05Å
220	E	70.6	Confident	65.9	Low	157 Å²	157	102.1 Å²	102.1	73%	0.734	58%	0.575	S	S	*	*	S	Bend	trans	-86	147.2	-177.1	-64.5	-174.7	171.6	0	0	111.8	K155 S218	K155-E220 PolarHBondContact NZ-O 2.88Å; S218-E220 PolarHBondContact OG-N 2.99Å
221	F	62.9	Low	66.6	Low	143 Å²	143	95.6 Å²	95.6	63%	0.627	54%	0.541	S	S	*	.			trans	-82.6	131.2	171.9	-66.5	-84.1	0	0	0	109.6	T223	F221-T223 PolarHBondContact O-N 3.3Å
222	S	58.1	Low	66.8	Low	84 Å²	84	98.7 Å²	98.7	59%	0.587	55%	0.551	S	S	*	*			trans	-86.6	95.2	164	63.6	0	0	0	0	108.6	P224	S222-P224 WeakPolarHBondContact O-CD 3.49Å
223	T	58.1	Low	67.4	Low	94 Å²	94	97.2 Å²	97.2	58%	0.577	55%	0.547	S	S	*	.			trans	-92.1	99.7	167.7	49.5	0	0	0	0	109.2	F221	F221-T223 PolarHBondContact O-N 3.3Å
224	P	61	Low	67.6	Low	99 Å²	99	92.9 Å²	92.9	64%	0.643	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-61.8	143.4	166.2	24	-29.9	0	0	0	109.7	S222 A226	S222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-A226 PolarHBondContact O-N 3.26Å
225	L	57.2	Low	67.7	Low	177 Å²	177	94.2 Å²	94.2	93%	0.927	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-56.7	127.8	170.7	-97.3	118.6	0	0	0	108.4	D227	L225-D227 PolarHBondContact O-N 3.35Å
226	A	63.6	Low	67.6	Low	56 Å²	56	94.3 Å²	94.3	46%	0.463	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-69.3	121.4	174.7	0	0	0	0	0	109.1	P224	P224-A226 PolarHBondContact O-N 3.26Å
227	D	67.7	Low	67.5	Low	114 Å²	114	93.6 Å²	93.6	61%	0.61	52%	0.52	S	S	*	.			trans	-79.6	115.3	165.9	-173.9	11.7	0	0	0	108.5	L225 S229	L225-D227 PolarHBondContact O-N 3.35Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.25Å; D227-S229 PolarHBondContact OD1-OG 2.87Å; D227-S229 PolarHBondContact OD2-OG 3.44Å
228	L	75.6	Confident	67	Low	101 Å²	101	95.5 Å²	95.5	53%	0.529	53%	0.529	S	S	.	.			trans	-106.2	21	178.3	-65.6	173.5	0	0	0	111.4	D230 V231 K232	L228-D230 VanDerWaalsContact C-N 3.3Å; L228-D230 PolarHBondContact O-N 2.98Å; L228-V231 HydrophobicContact CD2-CG2 4.49Å; L228-V231 PolarHBondContact O-N 3.41Å; L228-K232 PolarHBondContact O-N 3.29Å
229	S	76.8	Confident	66.1	Low	46 Å²	46	98.4 Å²	98.4	32%	0.322	54%	0.538	S	S	.	.	H	α-helix	trans	-53.7	-43.8	178.5	51.9	0	0	0	0	112.5	D227 V231 K232 T233	D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.25Å; D227-S229 PolarHBondContact OD1-OG 2.87Å; D227-S229 PolarHBondContact OD2-OG 3.44Å; S229-V231 PolarHBondContact O-N 3.48Å; S229-K232 WeakPolarHBondContact O-CB 3.49Å; S229-K232 PolarHBondContact O-N 2.91Å; S229-T233 PolarHBondContact O-N 3.47Å; S229-T233 PolarHBondContact O-OG1 3.16Å
230	D	71.3	Confident	65.7	Low	75 Å²	75	96.1 Å²	96.1	40%	0.401	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-46.1	178.5	-53.5	-30.5	0	0	0	112.3	R140 L228 K232 T233 M234	R140-D230 IonicContact NH2-OD2 2.72Å; R140-D230 PolarHBondContact NH2-OD2 2.98Å; L228-D230 VanDerWaalsContact C-N 3.3Å; L228-D230 PolarHBondContact O-N 2.98Å; D230-K232 VanDerWaalsContact C-N 3.35Å; D230-K232 PolarHBondContact O-N 2.84Å; D230-T233 WeakPolarHBondContact O-CB 3.39Å; D230-T233 PolarHBondContact O-N 3.41Å; D230-M234 HydrophobicContact CB-CE 4.41Å; D230-M234 WeakPolarHBondContact O-CG 3.44Å; D230-M234 PolarHBondContact O-N 3.3Å
231	V	74.7	Confident	65.3	Low	28 Å²	28	91.3 Å²	91.3	17%	0.17	51%	0.511	C	S	.	.	H	α-helix	trans	-66.4	-39.3	179.3	179	0	0	0	0	110.8	V133 L137 L228 S229 T233 M234 M235	V133-V231 HydrophobicContact CG1-CG1 4.35Å; L137-V231 HydrophobicContact CD2-CG2 4.09Å; L228-V231 HydrophobicContact CD2-CG2 4.49Å; L228-V231 PolarHBondContact O-N 3.41Å; S229-V231 PolarHBondContact O-N 3.48Å; V231-T233 VanDerWaalsContact C-N 3.3Å; V231-T233 PolarHBondContact O-N 2.97Å; V231-M234 PolarHBondContact O-N 3.33Å; V231-M235 WeakPolarHBondContact O-CB 3.41Å; V231-M235 PolarHBondContact O-N 2.99Å
232	K	71.6	Confident	65.5	Low	142 Å²	142	88.8 Å²	88.8	62%	0.617	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-41	173.8	-176.2	179.5	178	-176.8	0	111.3	L228 S229 D230 M235 D236	L228-K232 PolarHBondContact O-N 3.29Å; S229-K232 WeakPolarHBondContact O-CB 3.49Å; S229-K232 PolarHBondContact O-N 2.91Å; D230-K232 VanDerWaalsContact C-N 3.35Å; D230-K232 PolarHBondContact O-N 2.84Å; K232-M235 PolarHBondContact O-N 3.28Å; K232-D236 VanDerWaalsContact O-CG 3.28Å; K232-D236 PolarHBondContact O-N 2.82Å
233	T	73.4	Confident	66.2	Low	92 Å²	92	86.9 Å²	86.9	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-66.8	-40.7	179.5	-38.9	0	0	0	0	111.4	S229 D230 V231 M235 D236 S237	S229-T233 PolarHBondContact O-N 3.47Å; S229-T233 PolarHBondContact O-OG1 3.16Å; D230-T233 WeakPolarHBondContact O-CB 3.39Å; D230-T233 PolarHBondContact O-N 3.41Å; V231-T233 VanDerWaalsContact C-N 3.3Å; V231-T233 PolarHBondContact O-N 2.97Å; T233-M235 VanDerWaalsContact C-N 3.33Å; T233-D236 PolarHBondContact O-N 3.23Å; T233-S237 PolarHBondContact O-N 3.13Å; T233-S237 PolarHBondContact O-OG 2.95Å
234	M	68.9	Low	67.3	Low	56 Å²	56	82.6 Å²	82.6	28%	0.276	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-37.5	172.2	-66.3	180	-147.8	0	0	112.1	H129 V133 T136 D230 V231 D236 S237	H129-M234 PolarHBondContact CE1-O 3.04Å; H129-M234 PolarHBondContact NE2-O 3.37Å; V133-M234 HydrophobicContact CG2-CB 4.26Å; V133-M234 HydrophobicContact CG2-SD 4.37Å; T136-M234 HydrophobicContact CG2-CE 4Å; D230-M234 HydrophobicContact CB-CE 4.41Å; D230-M234 WeakPolarHBondContact O-CG 3.44Å; D230-M234 PolarHBondContact O-N 3.3Å; V231-M234 PolarHBondContact O-N 3.33Å; M234-D236 VanDerWaalsContact C-N 3.35Å; M234-S237 WeakPolarHBondContact CA-OG 3.49Å; M234-S237 PolarHBondContact O-N 3.46Å; M234-S237 PolarHBondContact O-OG 3.06Å
235	M	66.4	Low	68.5	Low	92 Å²	92	80.1 Å²	80.1	45%	0.453	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-35.3	177.5	-150.9	77.7	-172.1	0	0	112	V231 K232 T233 S237 I238	V231-M235 WeakPolarHBondContact O-CB 3.41Å; V231-M235 PolarHBondContact O-N 2.99Å; K232-M235 PolarHBondContact O-N 3.28Å; T233-M235 VanDerWaalsContact C-N 3.33Å; M235-S237 VanDerWaalsContact C-N 3.34Å; M235-I238 HydrophobicContact CE-CD1 4.04Å; M235-I238 HydrophobicContact CG-CD1 4.22Å; M235-I238 WeakPolarHBondContact O-CB 3.38Å; M235-I238 WeakPolarHBondContact O-CG1 3.27Å; M235-I238 PolarHBondContact O-N 2.78Å; M235-I238 HydrophobicContact SD-CD1 3.84Å
236	D	65.9	Low	69.9	Low	102 Å²	102	73.1 Å²	73.1	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-72.6	-24.1	179.1	-71.5	-23.5	0	0	0	112.4	K232 T233 M234 I238	K232-D236 VanDerWaalsContact O-CG 3.28Å; K232-D236 PolarHBondContact O-N 2.82Å; T233-D236 PolarHBondContact O-N 3.23Å; M234-D236 VanDerWaalsContact C-N 3.35Å; D236-I238 VanDerWaalsContact C-N 3.27Å; D236-I238 PolarHBondContact O-N 3Å
237	S	63.4	Low	71.2	Confident	61 Å²	61	70.6 Å²	70.6	43%	0.427	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-74	-10.2	176.1	46.5	0	0	0	0	115.1	T233 M234 M235 N239 V240	T233-S237 PolarHBondContact O-N 3.13Å; T233-S237 PolarHBondContact O-OG 2.95Å; M234-S237 WeakPolarHBondContact CA-OG 3.49Å; M234-S237 PolarHBondContact O-N 3.46Å; M234-S237 PolarHBondContact O-OG 3.06Å; M235-S237 VanDerWaalsContact C-N 3.34Å; S237-N239 PolarHBondContact O-N 2.9Å; S237-V240 PolarHBondContact O-N 2.93Å
238	I	58.2	Low	72.4	Confident	63 Å²	63	67.7 Å²	67.7	32%	0.323	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-66	-20.5	-178.8	-63.7	172.7	0	0	0	112.5	M235 D236	M235-I238 HydrophobicContact CE-CD1 4.04Å; M235-I238 HydrophobicContact CG-CD1 4.22Å; M235-I238 WeakPolarHBondContact O-CB 3.38Å; M235-I238 WeakPolarHBondContact O-CG1 3.27Å; M235-I238 PolarHBondContact O-N 2.78Å; M235-I238 HydrophobicContact SD-CD1 3.84Å; D236-I238 VanDerWaalsContact C-N 3.27Å; D236-I238 PolarHBondContact O-N 3Å
239	N	54.8	Low	73.3	Confident	137 Å²	137	63.6 Å²	63.6	73%	0.733	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-103.7	8.1	-175.3	-66.9	-44.7	0	0	0	114.8	S237 V241	S237-N239 PolarHBondContact O-N 2.9Å; N239-V241 PolarHBondContact O-N 2.96Å
240	V	59	Low	74	Confident	100 Å²	100	64.3 Å²	64.3	61%	0.606	37%	0.369	S	S	*	.			trans	-85.2	96.6	-179.8	-175.4	0	0	0	0	109	S237 P242	S237-V240 PolarHBondContact O-N 2.93Å; V240-P242 WeakPolarHBondContact O-CD 3Å
241	V	62.9	Low	74.9	Confident	56 Å²	56	66 Å²	66	34%	0.339	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-61.7	122.9	171.1	-177	0	0	0	0	108.2	N239 T273 T329	N239-V241 PolarHBondContact O-N 2.96Å; V241-T273 WeakPolarHBondContact CG1-OG1 3.46Å; V241-T329 WeakPolarHBondContact O-CB 3.44Å; V241-T329 VanDerWaalsContact O-CG2 3.29Å; V241-T329 WeakPolarHBondContact O-CG2 3.41Å; V241-T329 PolarHBondContact O-OG1 2.84Å
242	P	67.5	Low	75.7	Confident	89 Å²	89	65.5 Å²	65.5	58%	0.578	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-66.1	164.5	177.9	25.8	-31.9	0	0	0	111.8	V240 N327	V240-P242 WeakPolarHBondContact O-CD 3Å; P242-N327 PolarHBondContact O-ND2 3.46Å
243	A	72.6	Confident	76.6	Confident	44 Å²	44	64.7 Å²	64.7	36%	0.364	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-63.4	148.7	171.6	0	0	0	0	0	110.1
244	P	81.3	Confident	77.3	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.026	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-66.1	154	-173.8	-18	33.3	0	0	0	111.9	D272 V274 A325 N327 S332	P244-D272 WeakPolarHBondContact CA-OD2 3.3Å; P244-D272 HydrophobicContact CB-CB 3.96Å; P244-V274 HydrophobicContact CB-CG2 3.96Å; P244-V274 HydrophobicContact CG-CG2 4.01Å; P244-A325 HydrophobicContact CB-CB 3.93Å; P244-A325 HydrophobicContact CG-CB 4.27Å; P244-N327 VanDerWaalsContact CD-CG 3.43Å; P244-N327 WeakPolarHBondContact CD-ND2 3.28Å; P244-N327 HydrophobicContact CG-CB 3.79Å; P244-S332 VanDerWaalsContact O-CA 3.29Å; P244-S332 WeakPolarHBondContact O-CA 3.41Å; P244-S332 WeakPolarHBondContact O-CB 3.46Å
245	S	85	Confident	78.3	Confident	47 Å²	47	67.2 Å²	67.2	33%	0.329	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-66.1	157.1	168.6	-55.6	0	0	0	0	110.9	P247 F269 D272 S332	S245-P247 WeakPolarHBondContact O-CD 3.2Å; S245-F269 WeakPolarHBondContact CB-O 3.29Å; S245-D272 VanDerWaalsContact CB-OD2 3.23Å; S245-D272 WeakPolarHBondContact CB-OD2 3.23Å; S245-D272 PolarHBondContact N-OD2 3.28Å; S245-D272 PolarHBondContact OG-OD2 3.45Å; S245-D272 VanDerWaalsContact OG-OD2 3.06Å; S245-S332 WeakPolarHBondContact O-CB 3.29Å
246	A	87.7	Confident	79.4	Confident	31 Å²	31	64.6 Å²	64.6	26%	0.256	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.3	127.5	176.2	0	0	0	0	0	110	P333	A246-P333 HydrophobicContact CB-CB 4.12Å
247	P	91.3	Very high	80.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.013	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.9	163.9	173.7	-8.6	22.4	0	0	0	111.2	S245 S267 L268 Y277 V323 A325 S335	S245-P247 WeakPolarHBondContact O-CD 3.2Å; P247-S267 CarbonylContact C-O 3.53Å; P247-S267 WeakPolarHBondContact CA-O 3.15Å; P247-L268 HydrophobicContact CB-CD2 3.83Å; P247-L268 HydrophobicContact CG-CD2 3.8Å; P247-Y277 HydrophobicContact CG-CD1 4.36Å; P247-Y277 HydrophobicContact CG-CE1 4.44Å; P247-V323 HydrophobicContact CB-CG1 3.66Å; P247-V323 HydrophobicContact CG-CG1 3.9Å; P247-A325 HydrophobicContact CG-CB 3.9Å; P247-S335 VanDerWaalsContact O-CA 3.31Å; P247-S335 WeakPolarHBondContact O-CA 3.46Å; P247-S335 WeakPolarHBondContact O-CB 3.31Å
248	V	92.1	Very high	82.1	Confident	53 Å²	53	60.6 Å²	60.6	32%	0.321	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.9	176.3	177.1	0	0	0	0	109.8	W266 S267 F269	V248-W266 CarbonylContact O-C 3.59Å; V248-W266 WeakPolarHBondContact O-CA 2.96Å; V248-W266 WeakPolarHBondContact O-CB 3.35Å; V248-S267 PolarHBondContact N-O 2.96Å; V248-S267 PolarHBondContact O-N 2.94Å; V248-S267 PolarHBondContact O-OG 3.48Å; V248-F269 HydrophobicContact CB-CE2 4.29Å; V248-F269 HydrophobicContact CB-CZ 4.47Å; V248-F269 HydrophobicContact CG2-CD2 3.86Å; V248-F269 HydrophobicContact CG2-CE2 3.04Å; V248-F269 HydrophobicContact CG2-CZ 3.51Å
249	I	93.9	Very high	83.6	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.082	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.6	173.5	-64.6	-176.4	0	0	0	109.3	V264 W266 L279 L321 W322 V323 A338 Y340	I249-V264 HydrophobicContact CG2-CG1 3.97Å; I249-W266 HydrophobicContact CG1-CB 4.22Å; I249-L279 HydrophobicContact CD1-CD1 4.26Å; I249-L321 HydrophobicContact CD1-CB 4.2Å; I249-W322 VanDerWaalsContact CD1-CA 3.47Å; I249-V323 HydrophobicContact CD1-CB 4.32Å; I249-V323 HydrophobicContact CD1-CG1 4.09Å; I249-V323 HydrophobicContact CG1-CB 4.42Å; I249-V323 HydrophobicContact CG1-CG1 3.7Å; I249-A338 HydrophobicContact CB-CB 4Å; I249-A338 HydrophobicContact CG2-CB 3.53Å; I249-Y340 HydrophobicContact CG2-CE1 3.97Å
250	N	91.4	Very high	85.4	Confident	60 Å²	60	55.8 Å²	55.8	32%	0.321	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.9	176.3	-63.3	-6.7	0	0	0	109.7	C265 Y340	N250-C265 HydrophobicContact CB-CB 4.42Å; N250-C265 WeakPolarHBondContact CB-O 3.38Å; N250-C265 PolarHBondContact N-O 2.92Å; N250-Y340 PolarHBondContact O-OH 3.26Å
251	P	90.9	Very high	87	Confident	112 Å²	112	51.9 Å²	51.9	73%	0.727	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-57.3	147.2	170.4	-23.6	34	0	0	0	111.6	L253	P251-L253 PolarHBondContact O-N 3.08Å
252	Q	91.8	Very high	88.5	Confident	17 Å²	17	49.2 Å²	49.2	8%	0.079	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-60	126.6	174.3	-178.3	175.6	1.6	0	0	110	Y340 M341 G424	Q252-Y340 HydrophobicContact CB-CD1 4.17Å; Q252-Y340 HydrophobicContact CB-CD2 3.86Å; Q252-Y340 HydrophobicContact CB-CE1 4.17Å; Q252-Y340 HydrophobicContact CB-CE2 3.89Å; Q252-Y340 HydrophobicContact CB-CG 4Å; Q252-Y340 HydrophobicContact CG-CD2 3.94Å; Q252-Y340 HydrophobicContact CG-CE2 4.16Å; Q252-Y340 HydrophobicContact CG-CG 4.4Å; Q252-M341 PolarHBondContact NE2-O 2.86Å; Q252-G424 VanDerWaalsContact NE2-CA 3.29Å
253	L	89.2	Confident	89.7	Confident	125 Å²	125	48.4 Å²	48.4	65%	0.654	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-77.8	145.2	174	-67.9	172.9	0	0	0	110.1	P251 N255 S256	P251-L253 PolarHBondContact O-N 3.08Å; L253-N255 PolarHBondContact O-N 2.77Å; L253-S256 VanDerWaalsContact O-CB 3.25Å; L253-S256 WeakPolarHBondContact O-CB 3.19Å; L253-S256 PolarHBondContact O-N 2.57Å; L253-S256 PolarHBondContact O-OG 2.86Å
254	P	89.1	Confident	90.7	Very high	91 Å²	91	46.3 Å²	46.3	59%	0.591	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.1	174.1	-24.2	34	0	0	0	111.7	S256 I423	P254-S256 PolarHBondContact O-N 2.85Å; P254-I423 WeakPolarHBondContact CA-O 3.27Å
255	N	89.3	Confident	91.3	Very high	109 Å²	109	47.9 Å²	47.9	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	21.6	179.2	-48.3	-67.6	0	0	0	114.9	L253 I423 G424 G425 P426	L253-N255 PolarHBondContact O-N 2.77Å; N255-I423 PolarHBondContact N-O 2.89Å; N255-G424 CarbonylContact C-O 3.55Å; N255-G424 WeakPolarHBondContact CA-O 3.33Å; N255-G425 VanDerWaalsContact OD1-CA 3.31Å; N255-G425 WeakPolarHBondContact OD1-CA 3.5Å; N255-P426 VanDerWaalsContact OD1-CD 3.24Å; N255-P426 WeakPolarHBondContact OD1-CD 3.24Å
256	S	89.6	Confident	91.7	Very high	38 Å²	38	46 Å²	46	27%	0.266	27%	0.271	S	S	.	.			trans	-92.5	-3.4	-178.9	80.3	0	0	0	0	114.5	L253 P254 G424	L253-S256 VanDerWaalsContact O-CB 3.25Å; L253-S256 WeakPolarHBondContact O-CB 3.19Å; L253-S256 PolarHBondContact O-N 2.57Å; L253-S256 PolarHBondContact O-OG 2.86Å; P254-S256 PolarHBondContact O-N 2.85Å; S256-G424 PolarHBondContact N-O 3.16Å
257	A	93	Very high	91.7	Very high	14 Å²	14	46.7 Å²	46.7	12%	0.116	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-107.9	165	-176.8	0	0	0	0	0	111.7	L262 V343 G424	A257-L262 HydrophobicContact CB-CD2 3.7Å; A257-V343 HydrophobicContact CB-CG2 4.15Å; A257-V343 VanDerWaalsContact O-CG2 3.32Å; A257-V343 WeakPolarHBondContact O-CG2 3.47Å; A257-G424 PolarHBondContact N-O 3.27Å
258	T	92.7	Very high	91.3	Very high	65 Å²	65	48.6 Å²	48.6	40%	0.399	28%	0.283	S	S	.	.			trans	-115.1	-179.3	163.6	79.8	0	0	0	0	109.5	T260 S261 V343	T258-T260 PolarHBondContact O-N 2.93Å; T258-T260 PolarHBondContact OG1-N 2.8Å; T258-S261 WeakPolarHBondContact CB-OG 3.29Å; T258-S261 VanDerWaalsContact CG2-OG 3.29Å; T258-S261 WeakPolarHBondContact CG2-OG 3.46Å; T258-S261 PolarHBondContact N-O 3.36Å; T258-S261 WeakPolarHBondContact OG1-CB 3.5Å; T258-S261 PolarHBondContact OG1-N 2.7Å; T258-S261 PolarHBondContact OG1-OG 3.48Å; T258-V343 PolarHBondContact O-N 3.49Å
259	Q	89.7	Confident	90	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.201	29%	0.293	C	S	.	.	S	Bend	trans	-58.7	-30.5	174.6	-85.8	175.6	-9	0	0	113.6	H315 V343 D428	Q259-H315 WeakPolarHBondContact O-CA 3.48Å; Q259-V343 HydrophobicContact CG-CB 4.23Å; Q259-V343 HydrophobicContact CG-CG1 4.2Å; Q259-D428 PolarHBondContact NE2-OD2 3.02Å; Q259-D428 PolarHBondContact OE1-OD2 3.27Å
260	T	92.4	Very high	88.6	Confident	55 Å²	55	52.8 Å²	52.8	34%	0.337	30%	0.302	S	S	.	.	S	Bend	trans	-131	6.7	-173.2	59.2	0	0	0	0	113.2	T258 T311 D312 L313	T258-T260 PolarHBondContact O-N 2.93Å; T258-T260 PolarHBondContact OG1-N 2.8Å; T260-T311 CarbonylContact O-C 3.59Å; T260-T311 WeakPolarHBondContact O-CA 3.23Å; T260-D312 PolarHBondContact O-N 2.82Å; T260-L313 WeakPolarHBondContact O-CB 3.5Å; T260-L313 PolarHBondContact O-N 3.06Å
261	S	93.9	Very high	87.3	Confident	18 Å²	18	54.5 Å²	54.5	13%	0.126	31%	0.311	C	S	.	.			trans	-141.8	147.6	-178.9	77.7	0	0	0	0	114.3	T258 V310	T258-S261 WeakPolarHBondContact CB-OG 3.29Å; T258-S261 VanDerWaalsContact CG2-OG 3.29Å; T258-S261 WeakPolarHBondContact CG2-OG 3.46Å; T258-S261 PolarHBondContact N-O 3.36Å; T258-S261 WeakPolarHBondContact OG1-CB 3.5Å; T258-S261 PolarHBondContact OG1-N 2.7Å; T258-S261 PolarHBondContact OG1-OG 3.48Å; S261-V310 CarbonylContact C-O 3.56Å; S261-V310 WeakPolarHBondContact CA-O 3.34Å; S261-V310 WeakPolarHBondContact CB-O 3.01Å
262	L	94.5	Very high	86.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.2	175	-67.5	174.7	0	0	0	109.9	A257 V264 T309 V310 L313 Y319 L321 Y340 M341 T342	A257-L262 HydrophobicContact CB-CD2 3.7Å; L262-V264 HydrophobicContact CB-CG2 4.28Å; L262-T309 CarbonylContact O-C 3.59Å; L262-T309 WeakPolarHBondContact O-CA 3.47Å; L262-V310 PolarHBondContact N-O 2.91Å; L262-V310 PolarHBondContact O-N 3.26Å; L262-L313 HydrophobicContact CB-CD1 3.98Å; L262-L313 HydrophobicContact CD1-CD1 3.62Å; L262-L313 HydrophobicContact CG-CD1 3.53Å; L262-Y319 HydrophobicContact CD1-CD2 4.06Å; L262-Y319 HydrophobicContact CD1-CG 4.21Å; L262-L321 HydrophobicContact CD1-CD1 4.47Å; L262-Y340 HydrophobicContact CB-CD2 4.45Å; L262-Y340 HydrophobicContact CD2-CD2 4.31Å; L262-M341 WeakPolarHBondContact CD2-O 3.49Å; L262-T342 HydrophobicContact CD1-CG2 4.34Å; L262-T342 HydrophobicContact CD2-CG2 3.93Å; L262-T342 HydrophobicContact CG-CG2 3.9Å
263	H	91.7	Very high	85.5	Confident	72 Å²	72	53.5 Å²	53.5	33%	0.333	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115	169.5	-170.9	-76.8	0	0	0	109.5	C265 H307 T309	H263-C265 PolarHBondContact CE1-SG 2.81Å; H263-C265 PolarHBondContact ND1-SG 3.33Å; H263-H307 AromaticContact NE2-CD2 3.63Å; H263-T309 PolarHBondContact CD2-OG1 2.88Å; H263-T309 VanDerWaalsContact CD2-OG1 3.26Å
264	V	93.9	Very high	85.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.7	-172.3	-169.8	0	0	0	0	108.5	I249 L262 W266 L279 H307 C308 L321 Y340	I249-V264 HydrophobicContact CG2-CG1 3.97Å; L262-V264 HydrophobicContact CB-CG2 4.28Å; V264-W266 HydrophobicContact CB-CZ3 4.4Å; V264-W266 HydrophobicContact CG1-CE3 4.21Å; V264-W266 HydrophobicContact CG1-CZ3 4.3Å; V264-L279 HydrophobicContact CB-CD2 4.34Å; V264-L279 HydrophobicContact CG1-CD1 4.32Å; V264-L279 HydrophobicContact CG2-CD2 4.33Å; V264-H307 CarbonylContact O-C 3.57Å; V264-H307 WeakPolarHBondContact O-CA 3.37Å; V264-H307 WeakPolarHBondContact O-CB 3.17Å; V264-C308 PolarHBondContact N-O 2.79Å; V264-C308 PolarHBondContact O-N 3.31Å; V264-L321 HydrophobicContact CG1-CD2 4.31Å; V264-L321 HydrophobicContact CG2-CD2 3.49Å; V264-L321 VanDerWaalsContact CG2-CD2 3.49Å; V264-Y340 HydrophobicContact CB-CE2 4.36Å; V264-Y340 HydrophobicContact CG1-CE2 4.31Å; V264-Y340 HydrophobicContact CG2-CD2 4.31Å; V264-Y340 HydrophobicContact CG2-CE2 4.06Å
265	C	93.2	Very high	85.1	Confident	37 Å²	37	49.9 Å²	49.9	25%	0.25	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.6	176.6	-60.3	0	0	0	0	109.8	N250 H263 H307	N250-C265 HydrophobicContact CB-CB 4.42Å; N250-C265 WeakPolarHBondContact CB-O 3.38Å; N250-C265 PolarHBondContact N-O 2.92Å; H263-C265 PolarHBondContact CE1-SG 2.81Å; H263-C265 PolarHBondContact ND1-SG 3.33Å; C265-H307 HydrophobicContact CB-CB 4.48Å
266	W	93.6	Very high	85.1	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.9	172.5	53.9	92.3	0	0	0	111.4	V248 I249 V264 Y277 L279 V303 E305 T306 C308 V323	V248-W266 CarbonylContact O-C 3.59Å; V248-W266 WeakPolarHBondContact O-CA 2.96Å; V248-W266 WeakPolarHBondContact O-CB 3.35Å; I249-W266 HydrophobicContact CG1-CB 4.22Å; V264-W266 HydrophobicContact CB-CZ3 4.4Å; V264-W266 HydrophobicContact CG1-CE3 4.21Å; V264-W266 HydrophobicContact CG1-CZ3 4.3Å; W266-Y277 AromaticContact CD1-CE1 3.98Å; W266-Y277 AromaticContact CE2-CG 3.97Å; W266-Y277 HydrophobicContact CZ2-CD2 4.18Å; W266-Y277 AromaticContact CZ2-CG 3.94Å; W266-Y277 HydrophobicContact CZ2-CG 3.94Å; W266-Y277 AromaticContact NE1-CD1 3.25Å; W266-Y277 AromaticContact NE1-CD2 3.82Å; W266-Y277 AromaticContact NE1-CE1 3.46Å; W266-Y277 AromaticContact NE1-CG 3.44Å; W266-Y277 AromaticContact NE1-CZ 3.85Å; W266-L279 HydrophobicContact CH2-CB 4.41Å; W266-L279 HydrophobicContact CZ3-CD1 4.27Å; W266-L279 HydrophobicContact CZ3-CD2 4.26Å; W266-V303 HydrophobicContact CH2-CG2 3.57Å; W266-V303 HydrophobicContact CZ2-CG2 3.51Å; W266-E305 VanDerWaalsContact CZ2-O 3.3Å; W266-E305 WeakPolarHBondContact CZ2-O 3.32Å; W266-T306 PolarHBondContact N-O 2.67Å; W266-T306 WeakPolarHBondContact O-CB 3.49Å; W266-C308 HydrophobicContact CH2-CB 3.78Å; W266-C308 HydrophobicContact CZ3-CB 4.04Å; W266-V323 HydrophobicContact CB-CG1 4.22Å; W266-V323 HydrophobicContact CD2-CG1 4.32Å; W266-V323 HydrophobicContact CD2-CG2 4.14Å; W266-V323 HydrophobicContact CG-CG1 4.05Å; W266-V323 HydrophobicContact CG-CG2 4.49Å; W266-V323 HydrophobicContact CZ2-CG2 4.16Å
267	S	88.9	Confident	85.3	Confident	45 Å²	45	45.8 Å²	45.8	32%	0.315	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	160	175.5	51.5	0	0	0	0	110.1	P247 V248	P247-S267 CarbonylContact C-O 3.53Å; P247-S267 WeakPolarHBondContact CA-O 3.15Å; V248-S267 PolarHBondContact N-O 2.96Å; V248-S267 PolarHBondContact O-N 2.94Å; V248-S267 PolarHBondContact O-OG 3.48Å
268	L	82.1	Confident	85.4	Confident	42 Å²	42	46.2 Å²	46.2	22%	0.22	25%	0.248	C	C	.	.			trans	-112.8	141.9	171.6	-78.4	170.3	0	0	0	108.7	P247 V274 Y277 A325	P247-L268 HydrophobicContact CB-CD2 3.83Å; P247-L268 HydrophobicContact CG-CD2 3.8Å; L268-V274 HydrophobicContact CD1-CB 4.43Å; L268-V274 HydrophobicContact CD1-CG2 3.61Å; L268-Y277 HydrophobicContact CD1-CE1 3.97Å; L268-Y277 WeakPolarHBondContact CD1-OH 3.25Å; L268-Y277 HydrophobicContact CD2-CE1 4.21Å; L268-Y277 HydrophobicContact CG-CE1 4.14Å; L268-A325 HydrophobicContact CD2-CB 4.29Å
269	F	65.9	Low	85.5	Confident	121 Å²	121	43.1 Å²	43.1	53%	0.531	23%	0.229	S	C	.	.	S	Bend	trans	-86	122.4	161.2	-57.7	-68.2	0	0	0	107.2	S245 V248	S245-F269 WeakPolarHBondContact CB-O 3.29Å; V248-F269 HydrophobicContact CB-CE2 4.29Å; V248-F269 HydrophobicContact CB-CZ 4.47Å; V248-F269 HydrophobicContact CG2-CD2 3.86Å; V248-F269 HydrophobicContact CG2-CE2 3.04Å; V248-F269 HydrophobicContact CG2-CZ 3.51Å
270	S	64	Low	85.7	Confident	36 Å²	36	43.1 Å²	43.1	25%	0.252	23%	0.227	S	C	.	.	S	Bend	trans	94.8	163.4	174.6	89.1	0	0	0	0	118.4	N118 D272	N118-S270 WeakPolarHBondContact ND2-CA 3.42Å; S270-D272 PolarHBondContact O-N 2.8Å; S270-D272 PolarHBondContact OG-OD1 2.96Å; S270-D272 PolarHBondContact OG-OD2 3.46Å
271	D	63	Low	85.8	Confident	97 Å²	97	42.3 Å²	42.3	52%	0.519	22%	0.218	S	C	.	.	S	Bend	trans	-71.1	32	176.3	-61.6	-36.3	0	0	0	112.9	N118 T273	N118-D271 WeakPolarHBondContact CB-OD2 3.49Å; D271-T273 PolarHBondContact O-N 2.95Å
272	D	68.9	Low	85.8	Confident	25 Å²	25	44.3 Å²	44.3	13%	0.134	22%	0.223	C	C	.	.			trans	-62.2	121.7	-178.7	-76.6	-39.3	0	0	0	110.4	P244 S245 S270 V274	P244-D272 WeakPolarHBondContact CA-OD2 3.3Å; P244-D272 HydrophobicContact CB-CB 3.96Å; S245-D272 VanDerWaalsContact CB-OD2 3.23Å; S245-D272 WeakPolarHBondContact CB-OD2 3.23Å; S245-D272 PolarHBondContact N-OD2 3.28Å; S245-D272 PolarHBondContact OG-OD2 3.45Å; S245-D272 VanDerWaalsContact OG-OD2 3.06Å; S270-D272 PolarHBondContact O-N 2.8Å; S270-D272 PolarHBondContact OG-OD1 2.96Å; S270-D272 PolarHBondContact OG-OD2 3.46Å; D272-V274 HydrophobicContact CB-CG2 4.18Å; D272-V274 PolarHBondContact O-N 3.3Å; D272-V274 VanDerWaalsContact O-N 3.08Å
273	T	76.3	Confident	85.6	Confident	82 Å²	82	46.3 Å²	46.3	50%	0.503	24%	0.236	S	C	.	.			trans	-74.8	104	171.8	62.8	0	0	0	0	108.4	V241 D271 N327	V241-T273 WeakPolarHBondContact CG1-OG1 3.46Å; D271-T273 PolarHBondContact O-N 2.95Å; T273-N327 WeakPolarHBondContact O-CB 3.32Å
274	V	84.6	Confident	85.4	Confident	35 Å²	35	45.6 Å²	45.6	21%	0.212	24%	0.237	C	C	.	.			trans	-103.1	131.3	178.8	-179.8	0	0	0	0	110.5	P244 L268 D272 Y276 Y277 A325	P244-V274 HydrophobicContact CB-CG2 3.96Å; P244-V274 HydrophobicContact CG-CG2 4.01Å; L268-V274 HydrophobicContact CD1-CB 4.43Å; L268-V274 HydrophobicContact CD1-CG2 3.61Å; D272-V274 HydrophobicContact CB-CG2 4.18Å; D272-V274 PolarHBondContact O-N 3.3Å; D272-V274 VanDerWaalsContact O-N 3.08Å; V274-Y276 VanDerWaalsContact CG1-O 3.31Å; V274-Y276 WeakPolarHBondContact CG1-O 3.42Å; V274-Y277 HydrophobicContact CB-CE1 4.44Å; V274-Y277 HydrophobicContact CG1-CD1 4.18Å; V274-Y277 HydrophobicContact CG1-CD2 4.37Å; V274-Y277 HydrophobicContact CG1-CE1 3.8Å; V274-Y277 HydrophobicContact CG1-CE2 3.99Å; V274-Y277 HydrophobicContact CG1-CG 4.45Å; V274-Y277 HydrophobicContact CG2-CE1 4.48Å; V274-A325 HydrophobicContact CG1-CB 3.84Å; V274-A325 HydrophobicContact CG2-CB 3.89Å
275	E	85.8	Confident	84.7	Confident	106 Å²	106	51.2 Å²	51.2	50%	0.495	27%	0.266	S	S	.	.	S	Bend	trans	-83.6	-40.7	176	-69.8	-171.8	169.4	0	0	112.3	T326 T328	E275-T326 PolarHBondContact N-O 3.28Å; E275-T328 WeakPolarHBondContact OE1-CG2 3.4Å
276	Y	89.4	Confident	83.1	Confident	45 Å²	45	57.9 Å²	57.9	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	163.2	178	66.3	-88.7	0	0	0	111.6	V274 E278 K302 V303 T326	V274-Y276 VanDerWaalsContact CG1-O 3.31Å; V274-Y276 WeakPolarHBondContact CG1-O 3.42Å; Y276-E278 HydrophobicContact CD2-CG 4.13Å; Y276-E278 HydrophobicContact CE2-CG 3.85Å; Y276-K302 HydrophobicContact CD2-CD 3.68Å; Y276-K302 HydrophobicContact CD2-CG 3.71Å; Y276-K302 HydrophobicContact CE2-CD 3.85Å; Y276-K302 HydrophobicContact CE2-CG 4.32Å; Y276-K302 HydrophobicContact CG-CD 4.2Å; Y276-K302 HydrophobicContact CG-CG 4.25Å; Y276-V303 CarbonylContact C-O 3.52Å; Y276-V303 WeakPolarHBondContact CA-O 3.29Å; Y276-V303 WeakPolarHBondContact CB-O 3.34Å; Y276-T326 HydrophobicContact CE1-CG2 3.72Å; Y276-T326 HydrophobicContact CE2-CG2 4.45Å; Y276-T326 PolarHBondContact N-O 2.97Å; Y276-T326 PolarHBondContact O-N 2.6Å
277	Y	93.3	Very high	81	Confident	15 Å²	15	64.9 Å²	64.9	6%	0.059	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.9	172.3	-54	-90.3	0	0	0	110.4	P247 W266 L268 V274 K302 V303 K304 E305 T306 V323 T324 A325	P247-Y277 HydrophobicContact CG-CD1 4.36Å; P247-Y277 HydrophobicContact CG-CE1 4.44Å; W266-Y277 AromaticContact CD1-CE1 3.98Å; W266-Y277 AromaticContact CE2-CG 3.97Å; W266-Y277 HydrophobicContact CZ2-CD2 4.18Å; W266-Y277 AromaticContact CZ2-CG 3.94Å; W266-Y277 HydrophobicContact CZ2-CG 3.94Å; W266-Y277 AromaticContact NE1-CD1 3.25Å; W266-Y277 AromaticContact NE1-CD2 3.82Å; W266-Y277 AromaticContact NE1-CE1 3.46Å; W266-Y277 AromaticContact NE1-CG 3.44Å; W266-Y277 AromaticContact NE1-CZ 3.85Å; L268-Y277 HydrophobicContact CD1-CE1 3.97Å; L268-Y277 WeakPolarHBondContact CD1-OH 3.25Å; L268-Y277 HydrophobicContact CD2-CE1 4.21Å; L268-Y277 HydrophobicContact CG-CE1 4.14Å; V274-Y277 HydrophobicContact CB-CE1 4.44Å; V274-Y277 HydrophobicContact CG1-CD1 4.18Å; V274-Y277 HydrophobicContact CG1-CD2 4.37Å; V274-Y277 HydrophobicContact CG1-CE1 3.8Å; V274-Y277 HydrophobicContact CG1-CE2 3.99Å; V274-Y277 HydrophobicContact CG1-CG 4.45Å; V274-Y277 HydrophobicContact CG2-CE1 4.48Å; Y277-K302 WeakPolarHBondContact O-CA 3.19Å; Y277-V303 PolarHBondContact N-O 2.86Å; Y277-V303 PolarHBondContact O-N 2.71Å; Y277-K304 WeakPolarHBondContact CE2-O 3.38Å; Y277-E305 VanDerWaalsContact CD2-O 3.29Å; Y277-E305 WeakPolarHBondContact CD2-O 3.32Å; Y277-T306 HydrophobicContact CE2-CG2 4.23Å; Y277-V323 HydrophobicContact CD1-CG2 4.25Å; Y277-V323 HydrophobicContact CG-CG2 4.48Å; Y277-T324 CarbonylContact C-O 3.44Å; Y277-T324 VanDerWaalsContact CA-O 3.23Å; Y277-T324 WeakPolarHBondContact CA-O 3.34Å; Y277-A325 HydrophobicContact CD1-CB 3.87Å; Y277-A325 HydrophobicContact CE1-CB 3.88Å
278	E	94.8	Very high	78.9	Confident	23 Å²	23	67.5 Å²	67.5	11%	0.107	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.8	164.6	-70	-173.9	114.8	0	0	108.5	Y276 Y280 K300 V301 K302 V323 T324	Y276-E278 HydrophobicContact CD2-CG 4.13Å; Y276-E278 HydrophobicContact CE2-CG 3.85Å; E278-Y280 HydrophobicContact CB-CD2 4.5Å; E278-Y280 HydrophobicContact CB-CE2 3.68Å; E278-Y280 VanDerWaalsContact O-CD2 3.32Å; E278-Y280 WeakPolarHBondContact O-CD2 3.45Å; E278-Y280 WeakPolarHBondContact O-CE2 3.16Å; E278-Y280 PolarHBondContact OE2-OH 3.25Å; E278-K300 IonicContact OE1-NZ 3.44Å; E278-K300 PolarHBondContact OE1-NZ 3.05Å; E278-V301 WeakPolarHBondContact CA-O 3.4Å; E278-K302 HydrophobicContact CG-CB 4.45Å; E278-V323 WeakPolarHBondContact O-CA 3.35Å; E278-T324 PolarHBondContact N-O 2.92Å; E278-T324 PolarHBondContact O-N 2.8Å
279	L	95.5	Very high	77.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.2	171.5	177.2	68.5	0	0	0	108.5	I249 V264 W266 K300 V301 C308 V310 L321 V323	I249-L279 HydrophobicContact CD1-CD1 4.26Å; V264-L279 HydrophobicContact CB-CD2 4.34Å; V264-L279 HydrophobicContact CG1-CD1 4.32Å; V264-L279 HydrophobicContact CG2-CD2 4.33Å; W266-L279 HydrophobicContact CH2-CB 4.41Å; W266-L279 HydrophobicContact CZ3-CD1 4.27Å; W266-L279 HydrophobicContact CZ3-CD2 4.26Å; L279-K300 CarbonylContact O-C 3.53Å; L279-K300 WeakPolarHBondContact O-CA 2.91Å; L279-V301 PolarHBondContact N-O 3.19Å; L279-V301 PolarHBondContact O-N 3.01Å; L279-C308 HydrophobicContact CD2-CB 4.02Å; L279-V310 HydrophobicContact CD2-CG2 3.67Å; L279-L321 HydrophobicContact CD1-CB 4.38Å; L279-L321 HydrophobicContact CD1-CD2 4.41Å; L279-L321 HydrophobicContact CD2-CD2 4.48Å; L279-V323 HydrophobicContact CD1-CB 4.3Å
280	Y	94.9	Very high	76.2	Confident	44 Å²	44	70.1 Å²	70.1	17%	0.173	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.3	175.1	-59.8	-99.4	0	0	0	109.2	E278 S299 K300 L321 W322 T324	E278-Y280 HydrophobicContact CB-CD2 4.5Å; E278-Y280 HydrophobicContact CB-CE2 3.68Å; E278-Y280 VanDerWaalsContact O-CD2 3.32Å; E278-Y280 WeakPolarHBondContact O-CD2 3.45Å; E278-Y280 WeakPolarHBondContact O-CE2 3.16Å; E278-Y280 PolarHBondContact OE2-OH 3.25Å; Y280-S299 WeakPolarHBondContact CA-O 3.09Å; Y280-K300 HydrophobicContact CD1-CB 3.8Å; Y280-K300 HydrophobicContact CD1-CD 4.46Å; Y280-K300 HydrophobicContact CE1-CB 3.99Å; Y280-K300 HydrophobicContact CE1-CD 3.84Å; Y280-K300 HydrophobicContact CG-CB 4.37Å; Y280-L321 VanDerWaalsContact O-CA 3.28Å; Y280-L321 WeakPolarHBondContact O-CA 3.26Å; Y280-W322 VanDerWaalsContact CB-NE1 3.3Å; Y280-W322 AromaticContact CD2-CD1 3.74Å; Y280-W322 AromaticContact CD2-NE1 3.56Å; Y280-W322 AromaticContact CG-CD1 3.98Å; Y280-W322 AromaticContact CG-CE2 3.86Å; Y280-W322 HydrophobicContact CG-CZ2 4.23Å; Y280-W322 AromaticContact CG-NE1 3.39Å; Y280-W322 PolarHBondContact N-O 3.12Å; Y280-W322 PolarHBondContact O-N 3.13Å; Y280-T324 HydrophobicContact CE2-CG2 4.17Å
281	Y	94.4	Very high	75.2	Confident	37 Å²	37	75.9 Å²	75.9	15%	0.145	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.3	174.8	63	-83.5	0	0	0	111.3	S299 V301 V310 L313 Y319 E320	Y281-S299 VanDerWaalsContact CE2-CB 3.47Å; Y281-S299 PolarHBondContact N-O 3.48Å; Y281-S299 PolarHBondContact O-N 2.97Å; Y281-S299 WeakPolarHBondContact OH-CB 3.31Å; Y281-V301 HydrophobicContact CE1-CG2 3.96Å; Y281-V310 HydrophobicContact CD1-CG1 4.03Å; Y281-V310 HydrophobicContact CD1-CG2 4.2Å; Y281-V310 HydrophobicContact CD2-CG1 4.14Å; Y281-V310 HydrophobicContact CE1-CG1 3.56Å; Y281-V310 HydrophobicContact CE1-CG2 4.24Å; Y281-V310 HydrophobicContact CE2-CG1 3.68Å; Y281-V310 HydrophobicContact CG-CG1 4.3Å; Y281-L313 HydrophobicContact CD2-CD2 4.14Å; Y281-L313 HydrophobicContact CE2-CD2 3.79Å; Y281-Y319 HydrophobicContact CD2-CD1 4.16Å; Y281-Y319 HydrophobicContact CD2-CE1 4.4Å; Y281-E320 VanDerWaalsContact CA-O 3.28Å; Y281-E320 WeakPolarHBondContact CA-O 3.39Å
282	R	92.8	Very high	74.3	Confident	60 Å²	60	74.3 Å²	74.3	23%	0.226	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.1	173	63.2	-178.9	-178.1	151.1	12.4	111.1	P296 Y319 E320 W322	R282-P296 VanDerWaalsContact NH1-CG 3.25Å; R282-Y319 WeakPolarHBondContact O-CA 3.49Å; R282-E320 HydrophobicContact CG-CB 4.32Å; R282-E320 IonicContact CZ-OE2 3.98Å; R282-E320 PolarHBondContact N-O 3.32Å; R282-E320 IonicContact NE-OE2 3.5Å; R282-E320 PolarHBondContact NE-OE2 2.66Å; R282-E320 IonicContact NH2-OE1 3.56Å; R282-E320 IonicContact NH2-OE2 2.82Å; R282-E320 PolarHBondContact NH2-OE2 2.86Å; R282-E320 PolarHBondContact O-N 3.18Å; R282-W322 HydrophobicContact CG-CH2 4.06Å; R282-W322 HydrophobicContact CG-CZ3 3.98Å
283	P	91.1	Very high	73.2	Confident	44 Å²	44	80.5 Å²	80.5	29%	0.286	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.9	173.3	29	-33.8	0	0	0	110.3	L285 Y319	P283-L285 PolarHBondContact O-N 2.91Å; P283-Y319 HydrophobicContact CB-CD1 4.33Å; P283-Y319 HydrophobicContact CB-CE1 3.89Å; P283-Y319 HydrophobicContact CG-CE1 4.49Å
284	V	87.5	Confident	71.7	Confident	57 Å²	57	81.6 Å²	81.6	35%	0.345	46%	0.461	S	S	.	.			trans	-84.8	109.3	170.1	-176.4	0	0	0	0	107.3	Q318 E320 L339	V284-Q318 HydrophobicContact CB-CB 4.13Å; V284-Q318 HydrophobicContact CB-CG 4.23Å; V284-Q318 HydrophobicContact CG2-CB 4.34Å; V284-Q318 HydrophobicContact CG2-CG 3.99Å; V284-Q318 PolarHBondContact N-O 2.86Å; V284-E320 HydrophobicContact CG2-CB 3.99Å; V284-L339 HydrophobicContact CG2-CD2 4.13Å
285	L	78.6	Confident	70.1	Confident	117 Å²	117	83.7 Å²	83.7	61%	0.613	48%	0.482	S	S	*	.			trans	-99.9	125	176.3	-63.1	173	0	0	0	108.5	P283 D287	P283-L285 PolarHBondContact O-N 2.91Å; L285-D287 VanDerWaalsContact C-N 3.25Å; L285-D287 PolarHBondContact O-N 3.41Å
286	E	59.3	Low	69	Low	178 Å²	178	81.5 Å²	81.5	83%	0.832	48%	0.477	S	S	*	.	S	Bend	trans	-74.1	-7.4	-172.4	-119.5	178.4	176.5	0	0	114.8
287	D	49.1	Very low	67.9	Low	153 Å²	153	87.6 Å²	87.6	82%	0.818	51%	0.507	S	S	*	.			trans	-140.9	97	177.2	-84.2	-45.7	0	0	0	111.5	L285	L285-D287 VanDerWaalsContact C-N 3.25Å; L285-D287 PolarHBondContact O-N 3.41Å
288	T	44.7	Very low	67.6	Low	100 Å²	100	92 Å²	92	61%	0.613	53%	0.528	S	S	*	.			trans	-119	110.5	156.3	29.6	0	0	0	0	108.4	A290	T288-A290 PolarHBondContact O-N 2.89Å
289	P	44.8	Very low	67.4	Low	103 Å²	103	93 Å²	93	67%	0.669	54%	0.538	S	S	*	.			trans	-58.6	141.1	169.7	23.1	-29.9	0	0	0	108.3	D291 S292	P289-D291 PolarHBondContact O-N 3.41Å; P289-S292 PolarHBondContact O-N 3.34Å; P289-S292 PolarHBondContact O-OG 3.24Å
290	A	47.4	Very low	67.3	Low	116 Å²	116	98.8 Å²	98.8	96%	0.959	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	15.9	-172.7	0	0	0	0	0	115.8	T288	T288-A290 PolarHBondContact O-N 2.89Å
291	D	43.9	Very low	67.2	Low	156 Å²	156	99 Å²	99	83%	0.834	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	26.5	-172.4	-141.6	12.6	0	0	0	113.1	P289	P289-D291 PolarHBondContact O-N 3.41Å
292	S	44.1	Very low	67.2	Low	64 Å²	64	103 Å²	103	45%	0.448	59%	0.587	S	S	.	*			trans	-100	109.1	168.1	42.9	0	0	0	0	109.8	P289 C294	P289-S292 PolarHBondContact O-N 3.34Å; P289-S292 PolarHBondContact O-OG 3.24Å; S292-C294 PolarHBondContact O-N 2.86Å
293	T	45.2	Very low	67.2	Low	155 Å²	155	101.2 Å²	101.2	95%	0.951	58%	0.582	S	S	*	*			trans	-66.7	11.7	175.4	40.2	0	0	0	0	114.2
294	C	44.2	Very low	67.1	Low	105 Å²	105	107 Å²	107	71%	0.709	60%	0.603	S	S	*	*	S	Bend	trans	-107.3	102.2	178.2	-149.6	0	0	0	0	108	S292	S292-C294 PolarHBondContact O-N 2.86Å
295	A	52.1	Low	67.2	Low	79 Å²	79	109.5 Å²	109.5	65%	0.653	61%	0.611	S	S	*	*			trans	-54.7	137.9	169.9	0	0	0	0	0	108.9	Q297	A295-Q297 PolarHBondContact O-N 2.88Å
296	P	61.3	Low	67.8	Low	61 Å²	61	107 Å²	107	40%	0.396	60%	0.601	S	S	.	*			trans	-53.9	136.3	177.7	20.3	-30.4	0	0	0	109.6	R282 E298	R282-P296 VanDerWaalsContact NH1-CG 3.25Å; P296-E298 PolarHBondContact O-N 2.85Å
297	Q	67.4	Low	69.3	Low	173 Å²	173	102.5 Å²	102.5	81%	0.808	58%	0.58	S	S	*	*			trans	-67	102.3	-174.5	-170.4	171.1	-3.7	0	0	109.9	A295	A295-Q297 PolarHBondContact O-N 2.88Å
298	E	86.6	Confident	71.3	Confident	107 Å²	107	95.8 Å²	95.8	50%	0.5	54%	0.544	S	S	.	.			trans	-76.9	125.3	177.7	-69	173.4	-175.5	0	0	109.7	P296 W322	P296-E298 PolarHBondContact O-N 2.85Å; E298-W322 HydrophobicContact CG-CH2 4.21Å; E298-W322 HydrophobicContact CG-CZ2 4.4Å
299	S	91.3	Very high	73.6	Confident	45 Å²	45	94.4 Å²	94.4	32%	0.315	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	145.1	173.9	-63.8	0	0	0	0	109.1	Y280 Y281	Y280-S299 WeakPolarHBondContact CA-O 3.09Å; Y281-S299 VanDerWaalsContact CE2-CB 3.47Å; Y281-S299 PolarHBondContact N-O 3.48Å; Y281-S299 PolarHBondContact O-N 2.97Å; Y281-S299 WeakPolarHBondContact OH-CB 3.31Å
300	K	92.9	Very high	75.9	Confident	121 Å²	121	89.7 Å²	89.7	53%	0.526	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.5	179.2	69.6	174.7	-171.5	158.3	0	112.8	E278 L279 Y280	E278-K300 IonicContact OE1-NZ 3.44Å; E278-K300 PolarHBondContact OE1-NZ 3.05Å; L279-K300 CarbonylContact O-C 3.53Å; L279-K300 WeakPolarHBondContact O-CA 2.91Å; Y280-K300 HydrophobicContact CD1-CB 3.8Å; Y280-K300 HydrophobicContact CD1-CD 4.46Å; Y280-K300 HydrophobicContact CE1-CB 3.99Å; Y280-K300 HydrophobicContact CE1-CD 3.84Å; Y280-K300 HydrophobicContact CG-CB 4.37Å
301	V	93.3	Very high	78.1	Confident	49 Å²	49	87.8 Å²	87.8	30%	0.297	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	178.1	-179.9	0	0	0	0	108.5	E278 L279 Y281 V303	E278-V301 WeakPolarHBondContact CA-O 3.4Å; L279-V301 PolarHBondContact N-O 3.19Å; L279-V301 PolarHBondContact O-N 3.01Å; Y281-V301 HydrophobicContact CE1-CG2 3.96Å; V301-V303 HydrophobicContact CG1-CG1 3.92Å
302	K	93.5	Very high	80.3	Confident	121 Å²	121	87.4 Å²	87.4	53%	0.526	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.1	178.5	178.9	167.1	171.2	152.9	0	109.6	Y276 Y277 E278	Y276-K302 HydrophobicContact CD2-CD 3.68Å; Y276-K302 HydrophobicContact CD2-CG 3.71Å; Y276-K302 HydrophobicContact CE2-CD 3.85Å; Y276-K302 HydrophobicContact CE2-CG 4.32Å; Y276-K302 HydrophobicContact CG-CD 4.2Å; Y276-K302 HydrophobicContact CG-CG 4.25Å; Y277-K302 WeakPolarHBondContact O-CA 3.19Å; E278-K302 HydrophobicContact CG-CB 4.45Å
303	V	93.5	Very high	82.6	Confident	21 Å²	21	84.9 Å²	84.9	13%	0.127	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	164.1	-178	-61.6	0	0	0	0	111.8	W266 Y276 Y277 V301 C308	W266-V303 HydrophobicContact CH2-CG2 3.57Å; W266-V303 HydrophobicContact CZ2-CG2 3.51Å; Y276-V303 CarbonylContact C-O 3.52Å; Y276-V303 WeakPolarHBondContact CA-O 3.29Å; Y276-V303 WeakPolarHBondContact CB-O 3.34Å; Y277-V303 PolarHBondContact N-O 2.86Å; Y277-V303 PolarHBondContact O-N 2.71Å; V301-V303 HydrophobicContact CG1-CG1 3.92Å; V303-C308 HydrophobicContact CG1-CB 3.94Å; V303-C308 HydrophobicContact CG2-CB 4.4Å
304	K	88.1	Confident	84.7	Confident	167 Å²	167	82.7 Å²	82.7	73%	0.726	44%	0.443	S	S	*	.	S	Bend	trans	-106	-28.7	175.7	-70.6	-171.1	173.2	-171.8	0	112.4	Y277	Y277-K304 WeakPolarHBondContact CE2-O 3.38Å
305	E	89.9	Confident	86.8	Confident	108 Å²	108	81.9 Å²	81.9	51%	0.505	43%	0.429	S	S	.	.	S	Bend	trans	-75.2	164.9	176	-56.6	84.2	-178.7	0	0	111.5	W266 Y277 H307	W266-E305 VanDerWaalsContact CZ2-O 3.3Å; W266-E305 WeakPolarHBondContact CZ2-O 3.32Å; Y277-E305 VanDerWaalsContact CD2-O 3.29Å; Y277-E305 WeakPolarHBondContact CD2-O 3.32Å; E305-H307 PolarHBondContact O-N 2.84Å
306	T	90.4	Very high	88.6	Confident	66 Å²	66	78.2 Å²	78.2	41%	0.405	40%	0.398	S	S	.	.	S	Bend	trans	-84.2	17.3	173.2	53.5	0	0	0	0	113.2	W266 Y277	W266-T306 PolarHBondContact N-O 2.67Å; W266-T306 WeakPolarHBondContact O-CB 3.49Å; Y277-T306 HydrophobicContact CE2-CG2 4.23Å
307	H	90.6	Very high	90	Very high	83 Å²	83	75.9 Å²	75.9	38%	0.384	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.3	176.1	66	-79.2	0	0	0	110.5	H263 V264 C265 E305	H263-H307 AromaticContact NE2-CD2 3.63Å; V264-H307 CarbonylContact O-C 3.57Å; V264-H307 WeakPolarHBondContact O-CA 3.37Å; V264-H307 WeakPolarHBondContact O-CB 3.17Å; C265-H307 HydrophobicContact CB-CB 4.48Å; E305-H307 PolarHBondContact O-N 2.84Å
308	C	92.4	Very high	91.1	Very high	11 Å²	11	70.2 Å²	70.2	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	141.6	176.6	180	0	0	0	0	110.4	V264 W266 L279 V303	V264-C308 PolarHBondContact N-O 2.79Å; V264-C308 PolarHBondContact O-N 3.31Å; W266-C308 HydrophobicContact CH2-CB 3.78Å; W266-C308 HydrophobicContact CZ3-CB 4.04Å; L279-C308 HydrophobicContact CD2-CB 4.02Å; V303-C308 HydrophobicContact CG1-CB 3.94Å; V303-C308 HydrophobicContact CG2-CB 4.4Å
309	T	93.1	Very high	91.4	Very high	72 Å²	72	65.7 Å²	65.7	44%	0.442	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.9	166.7	-56.1	0	0	0	0	109.2	L262 H263 T311	L262-T309 CarbonylContact O-C 3.59Å; L262-T309 WeakPolarHBondContact O-CA 3.47Å; H263-T309 PolarHBondContact CD2-OG1 2.88Å; H263-T309 VanDerWaalsContact CD2-OG1 3.26Å; T309-T311 HydrophobicContact CG2-CG2 4.32Å
310	V	93.1	Very high	91.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.4	172.6	-174	0	0	0	0	108.1	S261 L262 L279 Y281 L313	S261-V310 CarbonylContact C-O 3.56Å; S261-V310 WeakPolarHBondContact CA-O 3.34Å; S261-V310 WeakPolarHBondContact CB-O 3.01Å; L262-V310 PolarHBondContact N-O 2.91Å; L262-V310 PolarHBondContact O-N 3.26Å; L279-V310 HydrophobicContact CD2-CG2 3.67Å; Y281-V310 HydrophobicContact CD1-CG1 4.03Å; Y281-V310 HydrophobicContact CD1-CG2 4.2Å; Y281-V310 HydrophobicContact CD2-CG1 4.14Å; Y281-V310 HydrophobicContact CE1-CG1 3.56Å; Y281-V310 HydrophobicContact CE1-CG2 4.24Å; Y281-V310 HydrophobicContact CE2-CG1 3.68Å; Y281-V310 HydrophobicContact CG-CG1 4.3Å; V310-L313 HydrophobicContact CB-CD1 4.29Å; V310-L313 HydrophobicContact CG1-CD1 4.14Å; V310-L313 HydrophobicContact CG1-CD2 3.77Å; V310-L313 HydrophobicContact CG1-CG 4.16Å
311	T	93.1	Very high	91.7	Very high	75 Å²	75	59.5 Å²	59.5	46%	0.46	30%	0.304	S	S	.	.			trans	-114.4	179	-179.5	59.5	0	0	0	0	111.5	T260 T309 L313	T260-T311 CarbonylContact O-C 3.59Å; T260-T311 WeakPolarHBondContact O-CA 3.23Å; T309-T311 HydrophobicContact CG2-CG2 4.32Å; T311-L313 PolarHBondContact O-N 2.67Å
312	D	90.6	Very high	91.8	Very high	149 Å²	149	58.3 Å²	58.3	80%	0.797	29%	0.294	S	S	*	.	S	Bend	trans	60.8	32.5	176.4	-52.5	-60.9	0	0	0	113.5	T260	T260-D312 PolarHBondContact O-N 2.82Å
313	L	91.5	Very high	91.9	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.052	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-87.3	158.5	177.1	-56.7	-179.8	0	0	0	111.4	T260 L262 Y281 V310 T311 Y319 T342	T260-L313 WeakPolarHBondContact O-CB 3.5Å; T260-L313 PolarHBondContact O-N 3.06Å; L262-L313 HydrophobicContact CB-CD1 3.98Å; L262-L313 HydrophobicContact CD1-CD1 3.62Å; L262-L313 HydrophobicContact CG-CD1 3.53Å; Y281-L313 HydrophobicContact CD2-CD2 4.14Å; Y281-L313 HydrophobicContact CE2-CD2 3.79Å; V310-L313 HydrophobicContact CB-CD1 4.29Å; V310-L313 HydrophobicContact CG1-CD1 4.14Å; V310-L313 HydrophobicContact CG1-CD2 3.77Å; V310-L313 HydrophobicContact CG1-CG 4.16Å; T311-L313 PolarHBondContact O-N 2.67Å; L313-Y319 HydrophobicContact CB-CE2 3.82Å; L313-Y319 HydrophobicContact CD1-CD2 4.35Å; L313-Y319 HydrophobicContact CD1-CE2 4.24Å; L313-Y319 HydrophobicContact CD2-CD1 4.25Å; L313-Y319 HydrophobicContact CD2-CE1 3.68Å; L313-Y319 HydrophobicContact CD2-CE2 4.19Å; L313-Y319 HydrophobicContact CG-CE2 4.31Å; L313-T342 HydrophobicContact CB-CG2 3.88Å; L313-T342 HydrophobicContact CD1-CG2 3.97Å
314	L	89.4	Confident	91.8	Very high	110 Å²	110	52.1 Å²	52.1	58%	0.576	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-71.9	145.8	174.8	-63.3	175.4	0	0	0	110.4	A317 Y319 T342	L314-A317 HydrophobicContact CB-CB 3.7Å; L314-A317 WeakPolarHBondContact O-CB 3.34Å; L314-Y319 PolarHBondContact N-OH 3.45Å; L314-T342 PolarHBondContact O-OG1 3.06Å
315	H	87.6	Confident	91.9	Very high	88 Å²	88	44.1 Å²	44.1	41%	0.407	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	144.6	174.8	-54.5	82.2	0	0	0	110.7	Q259 A317 S345	Q259-H315 WeakPolarHBondContact O-CA 3.48Å; H315-A317 PolarHBondContact O-N 2.88Å; H315-A317 VanDerWaalsContact O-N 3.11Å; H315-S345 WeakPolarHBondContact CB-OG 3.37Å
316	N	90.6	Very high	91.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	42.2	179.6	-160.3	44.4	0	0	0	114.1	T342 V343 P344 N369 N371 N422	N316-T342 PolarHBondContact N-OG1 3.27Å; N316-V343 PolarHBondContact N-O 3.17Å; N316-V343 VanDerWaalsContact N-O 3.09Å; N316-P344 HydrophobicContact CB-CB 4.41Å; N316-N369 WeakPolarHBondContact CB-OD1 3.45Å; N316-N369 VanDerWaalsContact ND2-CB 3.26Å; N316-N369 WeakPolarHBondContact ND2-CB 3.4Å; N316-N369 PolarHBondContact ND2-OD1 2.72Å; N316-N371 PolarHBondContact ND2-N 2.67Å; N316-N371 PolarHBondContact ND2-O 3.44Å; N316-N371 WeakPolarHBondContact O-CB 3.36Å; N316-N371 PolarHBondContact O-ND2 2.89Å; N316-N422 PolarHBondContact OD1-ND2 3.12Å
317	A	90.5	Very high	91.4	Very high	11 Å²	11	36.7 Å²	36.7	9%	0.091	19%	0.193	C	C	.	.			trans	-116.1	140.7	-174.3	0	0	0	0	0	110.8	L314 H315 Y319 T342	L314-A317 HydrophobicContact CB-CB 3.7Å; L314-A317 WeakPolarHBondContact O-CB 3.34Å; H315-A317 PolarHBondContact O-N 2.88Å; H315-A317 VanDerWaalsContact O-N 3.11Å; A317-Y319 HydrophobicContact CB-CD2 4.37Å; A317-Y319 HydrophobicContact CB-CE2 3.7Å; A317-Y319 WeakPolarHBondContact O-CD2 3.24Å; A317-T342 PolarHBondContact N-OG1 3.34Å; A317-T342 PolarHBondContact O-N 2.96Å; A317-T342 PolarHBondContact O-OG1 3.37Å
318	Q	91.9	Very high	90.7	Very high	55 Å²	55	38 Å²	38	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.4	174.4	-168.5	171.6	-36.7	0	0	109.9	V284 L339 Y340 M341	V284-Q318 HydrophobicContact CB-CB 4.13Å; V284-Q318 HydrophobicContact CB-CG 4.23Å; V284-Q318 HydrophobicContact CG2-CB 4.34Å; V284-Q318 HydrophobicContact CG2-CG 3.99Å; V284-Q318 PolarHBondContact N-O 2.86Å; Q318-L339 HydrophobicContact CG-CD2 4.32Å; Q318-Y340 WeakPolarHBondContact CA-O 3.38Å; Q318-M341 WeakPolarHBondContact CA-SD 3.31Å; Q318-M341 HydrophobicContact CB-CE 4.47Å; Q318-M341 HydrophobicContact CB-SD 3.36Å; Q318-M341 WeakPolarHBondContact CB-SD 3.33Å; Q318-M341 HydrophobicContact CG-SD 3.6Å; Q318-M341 VanDerWaalsContact CG-SD 3.6Å
319	Y	92.3	Very high	89.8	Confident	11 Å²	11	40.9 Å²	40.9	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.8	176.2	-74.5	-90.9	0	0	0	110.2	L262 Y281 R282 P283 L313 L314 A317 L321 L339 Y340 T342	L262-Y319 HydrophobicContact CD1-CD2 4.06Å; L262-Y319 HydrophobicContact CD1-CG 4.21Å; Y281-Y319 HydrophobicContact CD2-CD1 4.16Å; Y281-Y319 HydrophobicContact CD2-CE1 4.4Å; R282-Y319 WeakPolarHBondContact O-CA 3.49Å; P283-Y319 HydrophobicContact CB-CD1 4.33Å; P283-Y319 HydrophobicContact CB-CE1 3.89Å; P283-Y319 HydrophobicContact CG-CE1 4.49Å; L313-Y319 HydrophobicContact CB-CE2 3.82Å; L313-Y319 HydrophobicContact CD1-CD2 4.35Å; L313-Y319 HydrophobicContact CD1-CE2 4.24Å; L313-Y319 HydrophobicContact CD2-CD1 4.25Å; L313-Y319 HydrophobicContact CD2-CE1 3.68Å; L313-Y319 HydrophobicContact CD2-CE2 4.19Å; L313-Y319 HydrophobicContact CG-CE2 4.31Å; L314-Y319 PolarHBondContact N-OH 3.45Å; A317-Y319 HydrophobicContact CB-CD2 4.37Å; A317-Y319 HydrophobicContact CB-CE2 3.7Å; A317-Y319 WeakPolarHBondContact O-CD2 3.24Å; Y319-L321 WeakPolarHBondContact O-CD1 3.43Å; Y319-L339 WeakPolarHBondContact O-CA 3.46Å; Y319-Y340 PolarHBondContact N-O 2.94Å; Y319-Y340 PolarHBondContact O-N 3.3Å; Y319-T342 HydrophobicContact CD2-CG2 4.39Å; Y319-T342 HydrophobicContact CE2-CG2 4.21Å
320	E	94.4	Very high	89	Confident	35 Å²	35	38.5 Å²	38.5	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.6	169.6	-172.1	-171	-120.9	0	0	108.3	Y281 R282 V284 W322 K337 A338 L339	Y281-E320 VanDerWaalsContact CA-O 3.28Å; Y281-E320 WeakPolarHBondContact CA-O 3.39Å; R282-E320 HydrophobicContact CG-CB 4.32Å; R282-E320 IonicContact CZ-OE2 3.98Å; R282-E320 PolarHBondContact N-O 3.32Å; R282-E320 IonicContact NE-OE2 3.5Å; R282-E320 PolarHBondContact NE-OE2 2.66Å; R282-E320 IonicContact NH2-OE1 3.56Å; R282-E320 IonicContact NH2-OE2 2.82Å; R282-E320 PolarHBondContact NH2-OE2 2.86Å; R282-E320 PolarHBondContact O-N 3.18Å; V284-E320 HydrophobicContact CG2-CB 3.99Å; E320-W322 HydrophobicContact CG-CE3 4.33Å; E320-W322 HydrophobicContact CG-CZ3 4.23Å; E320-W322 WeakPolarHBondContact OE2-CZ3 3.31Å; E320-K337 HydrophobicContact CG-CB 3.9Å; E320-K337 HydrophobicContact CG-CD 3.73Å; E320-K337 HydrophobicContact CG-CG 4.42Å; E320-K337 WeakPolarHBondContact OE1-CD 3.43Å; E320-K337 IonicContact OE1-NZ 2.67Å; E320-K337 PolarHBondContact OE1-NZ 3.02Å; E320-K337 WeakPolarHBondContact OE2-CD 3.46Å; E320-K337 IonicContact OE2-NZ 3.87Å; E320-K337 PolarHBondContact OE2-NZ 2.67Å; E320-A338 WeakPolarHBondContact CA-O 3.19Å; E320-L339 HydrophobicContact CB-CD2 4.12Å; E320-L339 HydrophobicContact CG-CD2 4.31Å
321	L	95.1	Very high	88.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.9	-175.2	-57.2	95.6	0	0	0	111.5	I249 L262 V264 L279 Y280 Y319 K337 A338 Y340	I249-L321 HydrophobicContact CD1-CB 4.2Å; L262-L321 HydrophobicContact CD1-CD1 4.47Å; V264-L321 HydrophobicContact CG1-CD2 4.31Å; V264-L321 HydrophobicContact CG2-CD2 3.49Å; V264-L321 VanDerWaalsContact CG2-CD2 3.49Å; L279-L321 HydrophobicContact CD1-CB 4.38Å; L279-L321 HydrophobicContact CD1-CD2 4.41Å; L279-L321 HydrophobicContact CD2-CD2 4.48Å; Y280-L321 VanDerWaalsContact O-CA 3.28Å; Y280-L321 WeakPolarHBondContact O-CA 3.26Å; Y319-L321 WeakPolarHBondContact O-CD1 3.43Å; L321-K337 CarbonylContact O-C 3.58Å; L321-K337 WeakPolarHBondContact O-CA 3.35Å; L321-A338 PolarHBondContact N-O 2.83Å; L321-A338 PolarHBondContact O-N 2.93Å; L321-Y340 HydrophobicContact CD1-CD1 3.87Å; L321-Y340 HydrophobicContact CD1-CG 3.84Å
322	W	95.3	Very high	88.2	Confident	24 Å²	24	40.1 Å²	40.1	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.2	172	62	94	0	0	0	110.4	I249 Y280 R282 E298 E320 S335 K337	I249-W322 VanDerWaalsContact CD1-CA 3.47Å; Y280-W322 VanDerWaalsContact CB-NE1 3.3Å; Y280-W322 AromaticContact CD2-CD1 3.74Å; Y280-W322 AromaticContact CD2-NE1 3.56Å; Y280-W322 AromaticContact CG-CD1 3.98Å; Y280-W322 AromaticContact CG-CE2 3.86Å; Y280-W322 HydrophobicContact CG-CZ2 4.23Å; Y280-W322 AromaticContact CG-NE1 3.39Å; Y280-W322 PolarHBondContact N-O 3.12Å; Y280-W322 PolarHBondContact O-N 3.13Å; R282-W322 HydrophobicContact CG-CH2 4.06Å; R282-W322 HydrophobicContact CG-CZ3 3.98Å; E298-W322 HydrophobicContact CG-CH2 4.21Å; E298-W322 HydrophobicContact CG-CZ2 4.4Å; E320-W322 HydrophobicContact CG-CE3 4.33Å; E320-W322 HydrophobicContact CG-CZ3 4.23Å; E320-W322 WeakPolarHBondContact OE2-CZ3 3.31Å; W322-S335 WeakPolarHBondContact CA-OG 3.42Å; W322-K337 HydrophobicContact CB-CG 4.26Å; W322-K337 HydrophobicContact CE3-CD 4.01Å; W322-K337 HydrophobicContact CE3-CG 4.28Å; W322-K337 HydrophobicContact CZ3-CD 4.46Å
323	V	95.4	Very high	88.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	-174.7	64.2	0	0	0	0	111.3	P247 I249 W266 Y277 E278 L279 S335	P247-V323 HydrophobicContact CB-CG1 3.66Å; P247-V323 HydrophobicContact CG-CG1 3.9Å; I249-V323 HydrophobicContact CD1-CB 4.32Å; I249-V323 HydrophobicContact CD1-CG1 4.09Å; I249-V323 HydrophobicContact CG1-CB 4.42Å; I249-V323 HydrophobicContact CG1-CG1 3.7Å; W266-V323 HydrophobicContact CB-CG1 4.22Å; W266-V323 HydrophobicContact CD2-CG1 4.32Å; W266-V323 HydrophobicContact CD2-CG2 4.14Å; W266-V323 HydrophobicContact CG-CG1 4.05Å; W266-V323 HydrophobicContact CG-CG2 4.49Å; W266-V323 HydrophobicContact CZ2-CG2 4.16Å; Y277-V323 HydrophobicContact CD1-CG2 4.25Å; Y277-V323 HydrophobicContact CG-CG2 4.48Å; E278-V323 WeakPolarHBondContact O-CA 3.35Å; L279-V323 HydrophobicContact CD1-CB 4.3Å; V323-S335 PolarHBondContact N-OG 2.79Å; V323-S335 PolarHBondContact O-N 3.3Å
324	T	92.3	Very high	88.1	Confident	12 Å²	12	39.3 Å²	39.3	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149	168.7	58.6	0	0	0	0	110	Y277 E278 Y280 A334	Y277-T324 CarbonylContact C-O 3.44Å; Y277-T324 VanDerWaalsContact CA-O 3.23Å; Y277-T324 WeakPolarHBondContact CA-O 3.34Å; E278-T324 PolarHBondContact N-O 2.92Å; E278-T324 PolarHBondContact O-N 2.8Å; Y280-T324 HydrophobicContact CE2-CG2 4.17Å; T324-A334 HydrophobicContact CG2-CB 4Å
325	A	91.1	Very high	88.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.3	173.2	0	0	0	0	0	110.1	P244 P247 L268 V274 Y277 I331 S332	P244-A325 HydrophobicContact CB-CB 3.93Å; P244-A325 HydrophobicContact CG-CB 4.27Å; P247-A325 HydrophobicContact CG-CB 3.9Å; L268-A325 HydrophobicContact CD2-CB 4.29Å; V274-A325 HydrophobicContact CG1-CB 3.84Å; V274-A325 HydrophobicContact CG2-CB 3.89Å; Y277-A325 HydrophobicContact CD1-CB 3.87Å; Y277-A325 HydrophobicContact CE1-CB 3.88Å; A325-I331 CarbonylContact O-C 3.49Å; A325-I331 WeakPolarHBondContact O-CA 3.3Å; A325-S332 PolarHBondContact N-OG 3.29Å; A325-S332 PolarHBondContact O-N 2.85Å; A325-S332 PolarHBondContact O-OG 2.91Å
326	T	85.1	Confident	88.5	Confident	10 Å²	10	38.9 Å²	38.9	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137	177.4	-55.5	0	0	0	0	111.3	E275 Y276 I331	E275-T326 PolarHBondContact N-O 3.28Å; Y276-T326 HydrophobicContact CE1-CG2 3.72Å; Y276-T326 HydrophobicContact CE2-CG2 4.45Å; Y276-T326 PolarHBondContact N-O 2.97Å; Y276-T326 PolarHBondContact O-N 2.6Å; T326-I331 HydrophobicContact CG2-CG1 4.06Å
327	N	84.3	Confident	88.6	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.043	25%	0.245	C	C	.	.			trans	-128.6	-172.8	170.7	75.5	4.9	0	0	0	112.1	P242 P244 T273 T329 G330	P242-N327 PolarHBondContact O-ND2 3.46Å; P244-N327 VanDerWaalsContact CD-CG 3.43Å; P244-N327 WeakPolarHBondContact CD-ND2 3.28Å; P244-N327 HydrophobicContact CG-CB 3.79Å; T273-N327 WeakPolarHBondContact O-CB 3.32Å; N327-T329 PolarHBondContact O-N 3.03Å; N327-T329 VanDerWaalsContact O-N 3.16Å; N327-T329 WeakPolarHBondContact OD1-CA 3.38Å; N327-T329 WeakPolarHBondContact OD1-CB 3.03Å; N327-T329 PolarHBondContact OD1-N 2.9Å; N327-G330 PolarHBondContact N-O 2.96Å; N327-G330 PolarHBondContact O-N 3Å; N327-G330 PolarHBondContact OD1-N 3.26Å; N327-G330 PolarHBondContact OD1-O 3.25Å
328	T	75.9	Confident	88.7	Confident	110 Å²	110	44.1 Å²	44.1	68%	0.675	25%	0.248	S	C	*	.	S	Bend	trans	-59.7	-23.4	179	51.3	0	0	0	0	114	E275	E275-T328 WeakPolarHBondContact OE1-CG2 3.4Å
329	T	73.5	Confident	88.8	Confident	71 Å²	71	46.2 Å²	46.2	44%	0.436	26%	0.26	S	S	.	.	S	Bend	trans	-97.2	-31.5	-173	-54.8	0	0	0	0	112	V241 N327	V241-T329 WeakPolarHBondContact O-CB 3.44Å; V241-T329 VanDerWaalsContact O-CG2 3.29Å; V241-T329 WeakPolarHBondContact O-CG2 3.41Å; V241-T329 PolarHBondContact O-OG1 2.84Å; N327-T329 PolarHBondContact O-N 3.03Å; N327-T329 VanDerWaalsContact O-N 3.16Å; N327-T329 WeakPolarHBondContact OD1-CA 3.38Å; N327-T329 WeakPolarHBondContact OD1-CB 3.03Å; N327-T329 PolarHBondContact OD1-N 2.9Å
330	G	75.3	Confident	88.9	Confident	23 Å²	23	45.9 Å²	45.9	24%	0.237	26%	0.259	C	S	.	.			trans	168.9	-168.6	177.5	0	0	0	0	0	115	N327	N327-G330 PolarHBondContact N-O 2.96Å; N327-G330 PolarHBondContact O-N 3Å; N327-G330 PolarHBondContact OD1-N 3.26Å; N327-G330 PolarHBondContact OD1-O 3.25Å
331	I	83.4	Confident	88.8	Confident	104 Å²	104	45.4 Å²	45.4	53%	0.533	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-102.9	137.1	179.4	-50.7	175	0	0	0	108.3	A325 T326	A325-I331 CarbonylContact O-C 3.49Å; A325-I331 WeakPolarHBondContact O-CA 3.3Å; T326-I331 HydrophobicContact CG2-CG1 4.06Å
332	S	86.1	Confident	88.8	Confident	8 Å²	8	45.4 Å²	45.4	6%	0.056	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.2	163.1	173.7	76	0	0	0	0	111.8	P244 S245 A325	P244-S332 VanDerWaalsContact O-CA 3.29Å; P244-S332 WeakPolarHBondContact O-CA 3.41Å; P244-S332 WeakPolarHBondContact O-CB 3.46Å; S245-S332 WeakPolarHBondContact O-CB 3.29Å; A325-S332 PolarHBondContact N-OG 3.29Å; A325-S332 PolarHBondContact O-N 2.85Å; A325-S332 PolarHBondContact O-OG 2.91Å
333	P	88.8	Confident	88.8	Confident	88 Å²	88	44.5 Å²	44.5	57%	0.571	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-57.2	155.2	157.8	-16.2	29.9	0	0	0	110.8	A246	A246-P333 HydrophobicContact CB-CB 4.12Å
334	A	91	Very high	88.7	Confident	54 Å²	54	44.5 Å²	44.5	45%	0.446	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-69.9	147.2	174.6	0	0	0	0	0	111	T324	T324-A334 HydrophobicContact CG2-CB 4Å
335	S	93.4	Very high	88.8	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-59	162.2	170.1	74.3	0	0	0	0	111.6	P247 W322 V323	P247-S335 VanDerWaalsContact O-CA 3.31Å; P247-S335 WeakPolarHBondContact O-CA 3.46Å; P247-S335 WeakPolarHBondContact O-CB 3.31Å; W322-S335 WeakPolarHBondContact CA-OG 3.42Å; V323-S335 PolarHBondContact N-OG 2.79Å; V323-S335 PolarHBondContact O-N 3.3Å
336	E	92	Very high	89	Confident	180 Å²	180	48 Å²	48	84%	0.841	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-57.2	148.8	159.1	-66.3	-164.3	158	0	0	110.1
337	K	93.1	Very high	89.5	Confident	106 Å²	106	47.8 Å²	47.8	46%	0.461	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-81.9	127.5	-176.7	-57.1	-163.8	179.3	-176.6	0	109.9	E320 L321 W322	E320-K337 HydrophobicContact CG-CB 3.9Å; E320-K337 HydrophobicContact CG-CD 3.73Å; E320-K337 HydrophobicContact CG-CG 4.42Å; E320-K337 WeakPolarHBondContact OE1-CD 3.43Å; E320-K337 IonicContact OE1-NZ 2.67Å; E320-K337 PolarHBondContact OE1-NZ 3.02Å; E320-K337 WeakPolarHBondContact OE2-CD 3.46Å; E320-K337 IonicContact OE2-NZ 3.87Å; E320-K337 PolarHBondContact OE2-NZ 2.67Å; L321-K337 CarbonylContact O-C 3.58Å; L321-K337 WeakPolarHBondContact O-CA 3.35Å; W322-K337 HydrophobicContact CB-CG 4.26Å; W322-K337 HydrophobicContact CE3-CD 4.01Å; W322-K337 HydrophobicContact CE3-CG 4.28Å; W322-K337 HydrophobicContact CZ3-CD 4.46Å
338	A	93.2	Very high	90.1	Very high	17 Å²	17	49.5 Å²	49.5	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.1	176.5	0	0	0	0	0	111	I249 E320 L321 Y340	I249-A338 HydrophobicContact CB-CB 4Å; I249-A338 HydrophobicContact CG2-CB 3.53Å; E320-A338 WeakPolarHBondContact CA-O 3.19Å; L321-A338 PolarHBondContact N-O 2.83Å; L321-A338 PolarHBondContact O-N 2.93Å; A338-Y340 HydrophobicContact CB-CD1 4.16Å; A338-Y340 HydrophobicContact CB-CE1 3.87Å
339	L	93.4	Very high	91	Very high	99 Å²	99	45.4 Å²	45.4	52%	0.518	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.7	176.6	-66.7	174.5	0	0	0	109.7	V284 Q318 Y319 E320	V284-L339 HydrophobicContact CG2-CD2 4.13Å; Q318-L339 HydrophobicContact CG-CD2 4.32Å; Y319-L339 WeakPolarHBondContact O-CA 3.46Å; E320-L339 HydrophobicContact CB-CD2 4.12Å; E320-L339 HydrophobicContact CG-CD2 4.31Å
340	Y	94.4	Very high	91.9	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.4	177.2	-79.3	49.5	0	0	0	110	I249 N250 Q252 L262 V264 Q318 Y319 L321 A338	I249-Y340 HydrophobicContact CG2-CE1 3.97Å; N250-Y340 PolarHBondContact O-OH 3.26Å; Q252-Y340 HydrophobicContact CB-CD1 4.17Å; Q252-Y340 HydrophobicContact CB-CD2 3.86Å; Q252-Y340 HydrophobicContact CB-CE1 4.17Å; Q252-Y340 HydrophobicContact CB-CE2 3.89Å; Q252-Y340 HydrophobicContact CB-CG 4Å; Q252-Y340 HydrophobicContact CG-CD2 3.94Å; Q252-Y340 HydrophobicContact CG-CE2 4.16Å; Q252-Y340 HydrophobicContact CG-CG 4.4Å; L262-Y340 HydrophobicContact CB-CD2 4.45Å; L262-Y340 HydrophobicContact CD2-CD2 4.31Å; V264-Y340 HydrophobicContact CB-CE2 4.36Å; V264-Y340 HydrophobicContact CG1-CE2 4.31Å; V264-Y340 HydrophobicContact CG2-CD2 4.31Å; V264-Y340 HydrophobicContact CG2-CE2 4.06Å; Q318-Y340 WeakPolarHBondContact CA-O 3.38Å; Y319-Y340 PolarHBondContact N-O 2.94Å; Y319-Y340 PolarHBondContact O-N 3.3Å; L321-Y340 HydrophobicContact CD1-CD1 3.87Å; L321-Y340 HydrophobicContact CD1-CG 3.84Å; A338-Y340 HydrophobicContact CB-CD1 4.16Å; A338-Y340 HydrophobicContact CB-CE1 3.87Å
341	M	93.3	Very high	92.4	Very high	25 Å²	25	49.8 Å²	49.8	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.9	178.7	-65.3	-66.6	-72.1	0	0	110.3	Q252 L262 Q318 N371 I423	Q252-M341 PolarHBondContact NE2-O 2.86Å; L262-M341 WeakPolarHBondContact CD2-O 3.49Å; Q318-M341 WeakPolarHBondContact CA-SD 3.31Å; Q318-M341 HydrophobicContact CB-CE 4.47Å; Q318-M341 HydrophobicContact CB-SD 3.36Å; Q318-M341 WeakPolarHBondContact CB-SD 3.33Å; Q318-M341 HydrophobicContact CG-SD 3.6Å; Q318-M341 VanDerWaalsContact CG-SD 3.6Å; M341-N371 HydrophobicContact CE-CB 3.87Å; M341-I423 HydrophobicContact CB-CG2 3.77Å; M341-I423 HydrophobicContact CG-CG2 3.92Å
342	T	94.3	Very high	92.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.4	158.2	165.3	52.3	0	0	0	0	110.5	L262 L313 L314 N316 A317 Y319 N422	L262-T342 HydrophobicContact CD1-CG2 4.34Å; L262-T342 HydrophobicContact CD2-CG2 3.93Å; L262-T342 HydrophobicContact CG-CG2 3.9Å; L313-T342 HydrophobicContact CB-CG2 3.88Å; L313-T342 HydrophobicContact CD1-CG2 3.97Å; L314-T342 PolarHBondContact O-OG1 3.06Å; N316-T342 PolarHBondContact N-OG1 3.27Å; A317-T342 PolarHBondContact N-OG1 3.34Å; A317-T342 PolarHBondContact O-N 2.96Å; A317-T342 PolarHBondContact O-OG1 3.37Å; Y319-T342 HydrophobicContact CD2-CG2 4.39Å; Y319-T342 HydrophobicContact CE2-CG2 4.21Å; T342-N422 PolarHBondContact O-ND2 3.19Å
343	V	94.9	Very high	92.5	Very high	6 Å²	6	56 Å²	56	4%	0.036	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.8	-179	173.5	0	0	0	0	110.6	A257 T258 Q259 N316 P426	A257-V343 HydrophobicContact CB-CG2 4.15Å; A257-V343 VanDerWaalsContact O-CG2 3.32Å; A257-V343 WeakPolarHBondContact O-CG2 3.47Å; T258-V343 PolarHBondContact O-N 3.49Å; Q259-V343 HydrophobicContact CG-CB 4.23Å; Q259-V343 HydrophobicContact CG-CG1 4.2Å; N316-V343 PolarHBondContact N-O 3.17Å; N316-V343 VanDerWaalsContact N-O 3.09Å; V343-P426 VanDerWaalsContact CG1-O 3.3Å; V343-P426 WeakPolarHBondContact CG1-O 3.45Å
344	P	94.9	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.2	158.7	-179.8	-19.8	34.2	0	0	0	113.1	N316 V373 A420 N422 S427	N316-P344 HydrophobicContact CB-CB 4.41Å; P344-V373 HydrophobicContact CB-CG2 4.26Å; P344-V373 HydrophobicContact CG-CG2 4.44Å; P344-A420 HydrophobicContact CB-CB 3.72Å; P344-A420 HydrophobicContact CG-CB 4.21Å; P344-N422 VanDerWaalsContact CD-CG 3.47Å; P344-N422 WeakPolarHBondContact CD-OD1 3.13Å; P344-N422 HydrophobicContact CG-CB 3.85Å; P344-S427 WeakPolarHBondContact O-CB 3.09Å
345	S	93.8	Very high	92.5	Very high	36 Å²	36	49.8 Å²	49.8	25%	0.252	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.3	147.3	166.8	-62.8	0	0	0	0	110.4	H315 N369	H315-S345 WeakPolarHBondContact CB-OG 3.37Å; S345-N369 PolarHBondContact N-OD1 2.81Å; S345-N369 PolarHBondContact O-ND2 2.91Å
346	P	95	Very high	92.4	Very high	50 Å²	50	49.8 Å²	49.8	33%	0.325	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-57.6	134.6	175.7	-25	36.3	0	0	0	111.4	D428	P346-D428 HydrophobicContact CG-CB 3.85Å
347	P	95.4	Very high	92.3	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.026	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-68.2	156.8	176.6	27.8	-32.3	0	0	0	110.9	W365 E366 Y376 V418 S430	P347-W365 HydrophobicContact CB-CG 4.34Å; P347-E366 WeakPolarHBondContact CA-O 3.46Å; P347-E366 WeakPolarHBondContact CB-O 3.28Å; P347-Y376 HydrophobicContact CB-CE1 4.29Å; P347-Y376 HydrophobicContact CG-CD1 4.36Å; P347-V418 HydrophobicContact CG-CB 3.84Å; P347-V418 HydrophobicContact CG-CG1 3.72Å; P347-V418 WeakPolarHBondContact CG-O 3.4Å; P347-S430 WeakPolarHBondContact O-CB 3.44Å
348	A	95.9	Very high	92.1	Very high	45 Å²	45	38 Å²	38	37%	0.372	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.8	177.1	0	0	0	0	0	110.5	K350 W365 E366	A348-K350 PolarHBondContact O-N 2.87Å; A348-W365 CarbonylContact O-C 3.51Å; A348-W365 WeakPolarHBondContact O-CA 3.35Å; A348-W365 VanDerWaalsContact O-CB 3.24Å; A348-W365 WeakPolarHBondContact O-CB 3.45Å; A348-E366 HydrophobicContact CB-CG 3.78Å; A348-E366 PolarHBondContact N-O 2.82Å; A348-E366 PolarHBondContact O-N 2.82Å
349	I	95.6	Very high	91.8	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.1	178	-59.5	178.6	0	0	0	109.5	Q351 I363 W365 V418 S430 I433	I349-Q351 PolarHBondContact O-N 2.98Å; I349-Q351 VanDerWaalsContact O-N 3.14Å; I349-I363 HydrophobicContact CG2-CG2 4.05Å; I349-W365 HydrophobicContact CG1-CB 4.42Å; I349-V418 HydrophobicContact CD1-CG2 3.92Å; I349-V418 HydrophobicContact CG1-CG2 4.05Å; I349-S430 VanDerWaalsContact CD1-OG 3.31Å; I349-S430 WeakPolarHBondContact CD1-OG 3.24Å; I349-I433 HydrophobicContact CB-CG2 4.04Å; I349-I433 HydrophobicContact CD1-CG1 4.13Å; I349-I433 HydrophobicContact CD1-CG2 4.19Å; I349-I433 HydrophobicContact CG2-CD1 3.68Å; I349-I433 HydrophobicContact CG2-CG1 4.11Å; I349-I433 HydrophobicContact CG2-CG2 3.76Å
350	K	92.4	Very high	91.7	Very high	68 Å²	68	38.1 Å²	38.1	30%	0.296	19%	0.194	S	C	.	.			trans	-87.2	85.5	178	-65.1	-168.7	178.9	-176.9	0	109.6	A348 R352 E353 C354 R364 E366	A348-K350 PolarHBondContact O-N 2.87Å; K350-R352 PolarHBondContact O-N 3.15Å; K350-R352 VanDerWaalsContact O-N 3.12Å; K350-E353 HydrophobicContact CB-CB 4.03Å; K350-E353 HydrophobicContact CB-CG 4.13Å; K350-E353 HydrophobicContact CD-CG 4.18Å; K350-E353 WeakPolarHBondContact CD-OE1 3.19Å; K350-E353 VanDerWaalsContact CD-OE2 3.27Å; K350-E353 WeakPolarHBondContact CD-OE2 3.35Å; K350-E353 IonicContact NZ-OE1 2.67Å; K350-E353 PolarHBondContact NZ-OE1 2.88Å; K350-E353 IonicContact NZ-OE2 3.14Å; K350-E353 PolarHBondContact NZ-OE2 3.14Å; K350-E353 PolarHBondContact O-N 2.95Å; K350-C354 PolarHBondContact O-N 3.27Å; K350-C354 PolarHBondContact O-SG 2.82Å; K350-R364 PolarHBondContact N-O 2.83Å; K350-E366 WeakPolarHBondContact CE-OE2 3.44Å
351	Q	87.1	Confident	91.6	Very high	119 Å²	119	37.9 Å²	37.9	56%	0.556	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-50	-41.4	-177.4	-72.1	-179.3	10.5	0	0	113.1	I349 E353 C354 I433 Y443	I349-Q351 PolarHBondContact O-N 2.98Å; I349-Q351 VanDerWaalsContact O-N 3.14Å; Q351-E353 PolarHBondContact O-N 2.96Å; Q351-C354 PolarHBondContact O-N 2.96Å; Q351-I433 HydrophobicContact CG-CB 4.42Å; Q351-I433 HydrophobicContact CG-CG2 3.52Å; Q351-Y443 WeakPolarHBondContact O-CE2 3.44Å
352	R	83.8	Confident	91.6	Very high	165 Å²	165	37.4 Å²	37.4	62%	0.623	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-74.4	-7	-179.4	-67	-175.3	179.9	-104.2	3.8	115.1	K350 Y443	K350-R352 PolarHBondContact O-N 3.15Å; K350-R352 VanDerWaalsContact O-N 3.12Å; R352-Y443 WeakPolarHBondContact O-CD2 3.5Å
353	E	86.5	Confident	91.6	Very high	78 Å²	78	37.4 Å²	37.4	36%	0.364	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-110.5	1.8	175	-61.2	-177.9	-160.1	0	0	111.5	K350 Q351 R364	K350-E353 HydrophobicContact CB-CB 4.03Å; K350-E353 HydrophobicContact CB-CG 4.13Å; K350-E353 HydrophobicContact CD-CG 4.18Å; K350-E353 WeakPolarHBondContact CD-OE1 3.19Å; K350-E353 VanDerWaalsContact CD-OE2 3.27Å; K350-E353 WeakPolarHBondContact CD-OE2 3.35Å; K350-E353 IonicContact NZ-OE1 2.67Å; K350-E353 PolarHBondContact NZ-OE1 2.88Å; K350-E353 IonicContact NZ-OE2 3.14Å; K350-E353 PolarHBondContact NZ-OE2 3.14Å; K350-E353 PolarHBondContact O-N 2.95Å; Q351-E353 PolarHBondContact O-N 2.96Å; E353-R364 HydrophobicContact CB-CB 4.15Å; E353-R364 PolarHBondContact O-NH1 3.22Å
354	C	89.6	Confident	91.5	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.027	20%	0.198	C	C	.	.			trans	-89.5	136.6	176.1	-63.4	0	0	0	0	109.8	K350 Q351 L362 R364 I433	K350-C354 PolarHBondContact O-N 3.27Å; K350-C354 PolarHBondContact O-SG 2.82Å; Q351-C354 PolarHBondContact O-N 2.96Å; C354-L362 VanDerWaalsContact CA-O 3.32Å; C354-L362 WeakPolarHBondContact CA-O 3.5Å; C354-R364 PolarHBondContact SG-N 3.45Å; C354-R364 VanDerWaalsContact SG-N 3.41Å; C354-I433 HydrophobicContact CB-CD1 4.36Å
355	S	89.8	Confident	91.6	Very high	6 Å²	6	40 Å²	40	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.5	175.5	61.1	0	0	0	0	110.5	A361 L362 F441	S355-A361 CarbonylContact O-C 3.58Å; S355-A361 WeakPolarHBondContact O-CA 3.45Å; S355-L362 PolarHBondContact N-O 3.28Å; S355-L362 VanDerWaalsContact N-O 3.07Å; S355-L362 PolarHBondContact O-N 2.95Å; S355-F441 WeakPolarHBondContact CA-O 3.36Å; S355-F441 WeakPolarHBondContact CB-O 3.42Å
356	S	91.8	Very high	91.6	Very high	10 Å²	10	43 Å²	43	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.8	177.8	72.8	0	0	0	0	111.7	S436 T440 F441	S356-S436 PolarHBondContact OG-O 3.36Å; S356-S436 VanDerWaalsContact OG-O 3.05Å; S356-T440 CarbonylContact O-C 3.6Å; S356-T440 WeakPolarHBondContact O-CA 3.18Å; S356-F441 PolarHBondContact N-O 3.23Å; S356-F441 VanDerWaalsContact N-O 3.14Å; S356-F441 PolarHBondContact O-N 2.79Å; S356-F441 WeakPolarHBondContact OG-CB 3.34Å
357	C	89.6	Confident	91.4	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	174.7	171.2	70.7	0	0	0	0	108.6	E359 A360	C357-E359 PolarHBondContact O-N 2.84Å; C357-E359 VanDerWaalsContact O-N 3.13Å; C357-A360 PolarHBondContact N-O 3.5Å; C357-A360 PolarHBondContact O-N 2.93Å; C357-A360 PolarHBondContact SG-N 2.82Å; C357-A360 VanDerWaalsContact SG-N 3.42Å; C357-A360 PolarHBondContact SG-O 2.77Å
358	P	88.7	Confident	91	Very high	33 Å²	33	44.9 Å²	44.9	21%	0.214	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-177.5	-28.7	37.3	0	0	0	114.7	A410 T437	P358-A410 HydrophobicContact CB-CB 4.04Å; P358-A410 WeakPolarHBondContact O-CA 3.26Å; P358-A410 VanDerWaalsContact O-CB 3.25Å; P358-A410 WeakPolarHBondContact O-CB 3.34Å; P358-A410 PolarHBondContact O-N 3.34Å; P358-T437 WeakPolarHBondContact CA-O 3.43Å
359	E	88.5	Confident	90.5	Very high	113 Å²	113	44 Å²	44	53%	0.528	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-3.8	-172.1	-64.3	176.5	-177.6	0	0	113.8	C357 L408	C357-E359 PolarHBondContact O-N 2.84Å; C357-E359 VanDerWaalsContact O-N 3.13Å; E359-L408 CarbonylContact C-O 3.56Å; E359-L408 VanDerWaalsContact C-O 3.27Å; E359-L408 WeakPolarHBondContact CA-O 3.19Å; E359-L408 PolarHBondContact O-N 2.88Å
360	A	91.1	Very high	89.7	Confident	4 Å²	4	49 Å²	49	3%	0.033	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	162.7	-175.9	0	0	0	0	0	112.7	C357 L405 I406 V494	C357-A360 PolarHBondContact N-O 3.5Å; C357-A360 PolarHBondContact O-N 2.93Å; C357-A360 PolarHBondContact SG-N 2.82Å; C357-A360 VanDerWaalsContact SG-N 3.42Å; C357-A360 PolarHBondContact SG-O 2.77Å; A360-L405 HydrophobicContact CB-CD1 4.2Å; A360-I406 CarbonylContact C-O 3.46Å; A360-I406 WeakPolarHBondContact CA-O 3.46Å; A360-I406 WeakPolarHBondContact CB-O 3.44Å; A360-V494 HydrophobicContact CB-CG1 4.27Å; A360-V494 HydrophobicContact CB-CG2 3.72Å
361	A	91.8	Very high	89.3	Confident	1 Å²	1	47 Å²	47	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.9	169.7	0	0	0	0	0	111	S355 I363 I406 L408 I435	S355-A361 CarbonylContact O-C 3.58Å; S355-A361 WeakPolarHBondContact O-CA 3.45Å; A361-I363 HydrophobicContact CB-CD1 3.93Å; A361-I406 PolarHBondContact N-O 2.75Å; A361-I406 PolarHBondContact O-N 2.87Å; A361-L408 HydrophobicContact CB-CD1 3.6Å; A361-I435 HydrophobicContact CB-CG2 3.82Å
362	L	92.6	Very high	89	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.2	172.3	-180	55.8	0	0	0	108.7	C354 S355 Q403 L405 P493	C354-L362 VanDerWaalsContact CA-O 3.32Å; C354-L362 WeakPolarHBondContact CA-O 3.5Å; S355-L362 PolarHBondContact N-O 3.28Å; S355-L362 VanDerWaalsContact N-O 3.07Å; S355-L362 PolarHBondContact O-N 2.95Å; L362-Q403 HydrophobicContact CD1-CB 4.48Å; L362-L405 HydrophobicContact CB-CD1 4.12Å; L362-L405 HydrophobicContact CD1-CB 4.22Å; L362-P493 HydrophobicContact CB-CG 3.97Å; L362-P493 HydrophobicContact CD2-CB 3.9Å; L362-P493 HydrophobicContact CD2-CG 3.6Å; L362-P493 HydrophobicContact CG-CG 4.45Å
363	I	94.4	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.1	-179.1	-48.5	-50.8	0	0	0	108.5	I349 A361 W365 Q403 C404 I406 I416 I433 I435	I349-I363 HydrophobicContact CG2-CG2 4.05Å; A361-I363 HydrophobicContact CB-CD1 3.93Å; I363-W365 HydrophobicContact CB-CZ3 4.4Å; I363-W365 HydrophobicContact CG2-CE3 4.17Å; I363-W365 HydrophobicContact CG2-CZ3 4.37Å; I363-W365 WeakPolarHBondContact O-CZ3 3.41Å; I363-Q403 CarbonylContact O-C 3.55Å; I363-Q403 VanDerWaalsContact O-CA 3.25Å; I363-Q403 WeakPolarHBondContact O-CA 3.47Å; I363-C404 PolarHBondContact N-O 3.38Å; I363-C404 PolarHBondContact O-N 2.94Å; I363-I406 HydrophobicContact CB-CD1 4.46Å; I363-I406 HydrophobicContact CG1-CD1 3.52Å; I363-I406 HydrophobicContact CG1-CG1 4.35Å; I363-I416 HydrophobicContact CD1-CD1 3.8Å; I363-I416 HydrophobicContact CG1-CD1 3.98Å; I363-I416 HydrophobicContact CG1-CG2 4.34Å; I363-I433 HydrophobicContact CD1-CD1 4.14Å; I363-I433 HydrophobicContact CG2-CD1 4.31Å; I363-I435 HydrophobicContact CD1-CD1 4.22Å; I363-I435 HydrophobicContact CD1-CG1 3.96Å
364	R	94.1	Very high	89.7	Confident	52 Å²	52	41.2 Å²	41.2	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	177.7	-63.8	-167.4	177	96.4	-12.9	110.4	K350 E353 C354 Q403	K350-R364 PolarHBondContact N-O 2.83Å; E353-R364 HydrophobicContact CB-CB 4.15Å; E353-R364 PolarHBondContact O-NH1 3.22Å; C354-R364 PolarHBondContact SG-N 3.45Å; C354-R364 VanDerWaalsContact SG-N 3.41Å; R364-Q403 HydrophobicContact CG-CB 3.95Å
365	W	96.1	Very high	90	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.3	179.3	58.3	94.9	0	0	0	110.8	P347 A348 I349 I363 Y376 V378 V399 T401 C402 C404 V418	P347-W365 HydrophobicContact CB-CG 4.34Å; A348-W365 CarbonylContact O-C 3.51Å; A348-W365 WeakPolarHBondContact O-CA 3.35Å; A348-W365 VanDerWaalsContact O-CB 3.24Å; A348-W365 WeakPolarHBondContact O-CB 3.45Å; I349-W365 HydrophobicContact CG1-CB 4.42Å; I363-W365 HydrophobicContact CB-CZ3 4.4Å; I363-W365 HydrophobicContact CG2-CE3 4.17Å; I363-W365 HydrophobicContact CG2-CZ3 4.37Å; I363-W365 WeakPolarHBondContact O-CZ3 3.41Å; W365-Y376 AromaticContact CD1-CE1 3.96Å; W365-Y376 AromaticContact CE2-CG 3.85Å; W365-Y376 HydrophobicContact CZ2-CD1 4.32Å; W365-Y376 AromaticContact CZ2-CD2 3.86Å; W365-Y376 HydrophobicContact CZ2-CD2 3.86Å; W365-Y376 AromaticContact CZ2-CG 3.7Å; W365-Y376 HydrophobicContact CZ2-CG 3.7Å; W365-Y376 AromaticContact NE1-CD1 3.24Å; W365-Y376 AromaticContact NE1-CD2 3.7Å; W365-Y376 AromaticContact NE1-CE1 3.34Å; W365-Y376 VanDerWaalsContact NE1-CE1 3.34Å; W365-Y376 AromaticContact NE1-CE2 3.8Å; W365-Y376 AromaticContact NE1-CG 3.44Å; W365-Y376 AromaticContact NE1-CZ 3.64Å; W365-V378 HydrophobicContact CH2-CG2 3.72Å; W365-V378 HydrophobicContact CZ2-CG2 4.49Å; W365-V378 HydrophobicContact CZ3-CG2 4.1Å; W365-V399 HydrophobicContact CH2-CG1 4.04Å; W365-V399 HydrophobicContact CZ2-CG1 4.23Å; W365-T401 WeakPolarHBondContact CZ2-O 3.18Å; W365-C402 VanDerWaalsContact CE2-CA 3.47Å; W365-C402 HydrophobicContact CG-CB 4.37Å; W365-C402 PolarHBondContact N-O 2.86Å; W365-C402 VanDerWaalsContact O-CB 3.24Å; W365-C402 WeakPolarHBondContact O-CB 3.07Å; W365-C404 HydrophobicContact CH2-CB 3.71Å; W365-C404 HydrophobicContact CZ3-CB 3.82Å; W365-V418 HydrophobicContact CD2-CG1 4.03Å; W365-V418 HydrophobicContact CD2-CG2 4.18Å; W365-V418 HydrophobicContact CE3-CG1 4.48Å; W365-V418 HydrophobicContact CE3-CG2 3.96Å; W365-V418 HydrophobicContact CG-CG1 4.42Å; W365-V418 HydrophobicContact CH2-CG1 4.45Å; W365-V418 HydrophobicContact CZ2-CG1 4.01Å; W365-V418 HydrophobicContact CZ3-CG2 4.24Å
366	E	94.7	Very high	90.3	Very high	100 Å²	100	42.4 Å²	42.4	47%	0.467	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.2	165	56.4	-171.7	-166.5	0	0	109.9	P347 A348 K350	P347-E366 WeakPolarHBondContact CA-O 3.46Å; P347-E366 WeakPolarHBondContact CB-O 3.28Å; A348-E366 HydrophobicContact CB-CG 3.78Å; A348-E366 PolarHBondContact N-O 2.82Å; A348-E366 PolarHBondContact O-N 2.82Å; K350-E366 WeakPolarHBondContact CE-OE2 3.44Å
367	S	90.8	Very high	90.5	Very high	22 Å²	22	43.4 Å²	43.4	15%	0.154	25%	0.254	C	S	.	.			trans	-70	-40.3	178.9	-162.2	0	0	0	0	111.6	N369 V373 Y376	S367-N369 PolarHBondContact O-N 2.94Å; S367-N369 PolarHBondContact O-ND2 2.7Å; S367-N369 WeakPolarHBondContact OG-CB 3.41Å; S367-N369 PolarHBondContact OG-ND2 2.86Å; S367-V373 WeakPolarHBondContact OG-CG2 3.35Å; S367-Y376 WeakPolarHBondContact CB-OH 3.37Å; S367-Y376 PolarHBondContact OG-OH 3.21Å
368	G	85.6	Confident	90.9	Very high	72 Å²	72	43.1 Å²	43.1	74%	0.742	25%	0.253	S	S	*	.			trans	64.8	-0.4	-172.2	0	0	0	0	0	114.8
369	N	86.3	Confident	91.2	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.134	25%	0.248	C	C	.	.			trans	-97.2	134.7	-173.2	-79.7	-61.5	0	0	0	110.7	N316 S345 S367 V373	N316-N369 WeakPolarHBondContact CB-OD1 3.45Å; N316-N369 VanDerWaalsContact ND2-CB 3.26Å; N316-N369 WeakPolarHBondContact ND2-CB 3.4Å; N316-N369 PolarHBondContact ND2-OD1 2.72Å; S345-N369 PolarHBondContact N-OD1 2.81Å; S345-N369 PolarHBondContact O-ND2 2.91Å; S367-N369 PolarHBondContact O-N 2.94Å; S367-N369 PolarHBondContact O-ND2 2.7Å; S367-N369 WeakPolarHBondContact OG-CB 3.41Å; S367-N369 PolarHBondContact OG-ND2 2.86Å; N369-V373 HydrophobicContact CB-CG2 3.82Å
370	T	78.5	Confident	91.5	Very high	128 Å²	128	37.8 Å²	37.8	79%	0.785	23%	0.225	S	C	*	.	S	Bend	trans	-78.1	-46.8	179.5	46.7	0	0	0	0	112.5
371	N	84.4	Confident	91.5	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.15	23%	0.229	C	C	.	.	S	Bend	trans	-79.4	150.1	173.3	-70.6	-54	0	0	0	111.2	N316 M341 V373	N316-N371 PolarHBondContact ND2-N 2.67Å; N316-N371 PolarHBondContact ND2-O 3.44Å; N316-N371 WeakPolarHBondContact O-CB 3.36Å; N316-N371 PolarHBondContact O-ND2 2.89Å; M341-N371 HydrophobicContact CE-CB 3.87Å; N371-V373 PolarHBondContact O-N 2.89Å
372	P	80.8	Confident	91.4	Very high	105 Å²	105	40.9 Å²	40.9	68%	0.682	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-58.8	136.6	-179.8	23.4	-33.1	0	0	0	111.3
373	V	91.1	Very high	90.9	Very high	26 Å²	26	42 Å²	42	16%	0.158	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-95.6	135.9	172	175.6	0	0	0	0	107.2	P344 S367 N369 N371 S375 Y376 A420 V421	P344-V373 HydrophobicContact CB-CG2 4.26Å; P344-V373 HydrophobicContact CG-CG2 4.44Å; S367-V373 WeakPolarHBondContact OG-CG2 3.35Å; N369-V373 HydrophobicContact CB-CG2 3.82Å; N371-V373 PolarHBondContact O-N 2.89Å; V373-S375 VanDerWaalsContact CG1-O 3.26Å; V373-S375 WeakPolarHBondContact CG1-O 3.46Å; V373-Y376 HydrophobicContact CG1-CE1 4.11Å; V373-A420 HydrophobicContact CG1-CB 3.77Å; V373-A420 HydrophobicContact CG2-CB 4.31Å; V373-V421 VanDerWaalsContact CG1-O 3.28Å; V373-V421 WeakPolarHBondContact CG1-O 3.39Å
374	D	92.7	Very high	89.4	Confident	108 Å²	108	43.4 Å²	43.4	58%	0.578	26%	0.262	S	S	*	.			trans	-72.7	-41.5	-175.8	-64.1	-33.5	0	0	0	111.4	V421 N422 I423	D374-V421 WeakPolarHBondContact CB-O 3.25Å; D374-V421 PolarHBondContact N-O 3.46Å; D374-N422 WeakPolarHBondContact OD2-CA 3.15Å; D374-I423 PolarHBondContact OD2-N 2.92Å; D374-I423 VanDerWaalsContact OD2-N 3.14Å
375	S	95.6	Very high	87.6	Confident	23 Å²	23	48 Å²	48	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	175.5	176.6	63.6	0	0	0	0	112.8	V373 V399 V421	V373-S375 VanDerWaalsContact CG1-O 3.26Å; V373-S375 WeakPolarHBondContact CG1-O 3.46Å; S375-V399 CarbonylContact C-O 3.33Å; S375-V399 WeakPolarHBondContact CA-O 3.32Å; S375-V421 PolarHBondContact N-O 2.76Å; S375-V421 WeakPolarHBondContact O-CB 3.38Å; S375-V421 PolarHBondContact O-N 2.88Å
376	Y	97.3	Very high	85.5	Confident	13 Å²	13	53.8 Å²	53.8	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.8	172.7	-56.6	-88	0	0	0	111.8	P347 W365 S367 V373 A398 V399 C402 V418 R419 A420	P347-Y376 HydrophobicContact CB-CE1 4.29Å; P347-Y376 HydrophobicContact CG-CD1 4.36Å; W365-Y376 AromaticContact CD1-CE1 3.96Å; W365-Y376 AromaticContact CE2-CG 3.85Å; W365-Y376 HydrophobicContact CZ2-CD1 4.32Å; W365-Y376 AromaticContact CZ2-CD2 3.86Å; W365-Y376 HydrophobicContact CZ2-CD2 3.86Å; W365-Y376 AromaticContact CZ2-CG 3.7Å; W365-Y376 HydrophobicContact CZ2-CG 3.7Å; W365-Y376 AromaticContact NE1-CD1 3.24Å; W365-Y376 AromaticContact NE1-CD2 3.7Å; W365-Y376 AromaticContact NE1-CE1 3.34Å; W365-Y376 VanDerWaalsContact NE1-CE1 3.34Å; W365-Y376 AromaticContact NE1-CE2 3.8Å; W365-Y376 AromaticContact NE1-CG 3.44Å; W365-Y376 AromaticContact NE1-CZ 3.64Å; S367-Y376 WeakPolarHBondContact CB-OH 3.37Å; S367-Y376 PolarHBondContact OG-OH 3.21Å; V373-Y376 HydrophobicContact CG1-CE1 4.11Å; Y376-A398 PolarHBondContact O-N 2.95Å; Y376-V399 WeakPolarHBondContact CD2-O 3.25Å; Y376-V399 PolarHBondContact N-O 3.44Å; Y376-V399 PolarHBondContact O-N 3.09Å; Y376-C402 PolarHBondContact OH-SG 2.84Å; Y376-V418 HydrophobicContact CD1-CG1 4.12Å; Y376-V418 HydrophobicContact CG-CG1 4.41Å; Y376-R419 CarbonylContact C-O 3.38Å; Y376-R419 WeakPolarHBondContact CA-O 3.2Å; Y376-R419 WeakPolarHBondContact CB-O 3.49Å; Y376-A420 HydrophobicContact CD1-CB 4.03Å; Y376-A420 HydrophobicContact CE1-CB 3.88Å
377	I	96.9	Very high	83.2	Confident	31 Å²	31	53.2 Å²	53.2	16%	0.159	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.7	168.7	-57.8	168.9	0	0	0	107.5	E379 I396 V397 V418 R419 V421 P426	I377-E379 HydrophobicContact CG2-CG 3.92Å; I377-I396 CarbonylContact C-O 3.6Å; I377-I396 WeakPolarHBondContact CA-O 3.44Å; I377-V397 HydrophobicContact CG1-CG1 4.23Å; I377-V397 HydrophobicContact CG2-CG1 4.16Å; I377-V418 CarbonylContact O-C 3.53Å; I377-V418 WeakPolarHBondContact O-CA 3.45Å; I377-R419 HydrophobicContact CB-CB 4.37Å; I377-R419 PolarHBondContact N-O 2.92Å; I377-R419 PolarHBondContact O-N 3.46Å; I377-V421 HydrophobicContact CD1-CG2 3.57Å; I377-V421 HydrophobicContact CG1-CG2 3.66Å; I377-P426 HydrophobicContact CD1-CB 4.46Å
378	V	96.9	Very high	81.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.7	174.2	-176.3	0	0	0	0	108	W365 S395 I396 V399 C404 I406 I416 V418	W365-V378 HydrophobicContact CH2-CG2 3.72Å; W365-V378 HydrophobicContact CZ2-CG2 4.49Å; W365-V378 HydrophobicContact CZ3-CG2 4.1Å; V378-S395 CarbonylContact O-C 3.51Å; V378-S395 WeakPolarHBondContact O-CA 3.35Å; V378-I396 HydrophobicContact CB-CB 4.34Å; V378-I396 PolarHBondContact N-O 2.76Å; V378-I396 PolarHBondContact O-N 2.97Å; V378-V399 HydrophobicContact CG2-CG2 4.16Å; V378-C404 HydrophobicContact CG2-CB 4Å; V378-I406 HydrophobicContact CG1-CD1 3.73Å; V378-I416 HydrophobicContact CG1-CG2 3.77Å; V378-V418 HydrophobicContact CG1-CG2 4.42Å; V378-V418 HydrophobicContact CG2-CG1 4.4Å; V378-V418 HydrophobicContact CG2-CG2 4.22Å
379	E	95.3	Very high	79.6	Confident	26 Å²	26	59.1 Å²	59.1	12%	0.121	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.3	-179.9	-58.5	-178.4	149.6	0	0	109.1	I377 T393 E394 I416 S417 R419 R429	I377-E379 HydrophobicContact CG2-CG 3.92Å; E379-T393 HydrophobicContact CB-CG2 3.98Å; E379-E394 CarbonylContact C-O 3.38Å; E379-E394 WeakPolarHBondContact CA-O 3.43Å; E379-I416 WeakPolarHBondContact O-CA 3.37Å; E379-S417 PolarHBondContact N-O 3.25Å; E379-S417 PolarHBondContact O-N 2.67Å; E379-R419 IonicContact OE1-CZ 3.98Å; E379-R419 IonicContact OE1-NE 2.69Å; E379-R419 PolarHBondContact OE1-NE 3.35Å; E379-R419 VanDerWaalsContact OE1-NE 3.12Å; E379-R419 IonicContact OE1-NH2 3.69Å; E379-R419 IonicContact OE2-CZ 2.83Å; E379-R419 IonicContact OE2-NE 3.87Å; E379-R419 PolarHBondContact OE2-NE 3.17Å; E379-R419 VanDerWaalsContact OE2-NE 3.13Å; E379-R419 IonicContact OE2-NH2 2.95Å; E379-R429 IonicContact OE2-CZ 3.64Å; E379-R429 IonicContact OE2-NE 3.42Å; E379-R429 PolarHBondContact OE2-NE 3.05Å; E379-R429 IonicContact OE2-NH2 3.31Å; E379-R429 PolarHBondContact OE2-NH2 2.93Å
380	L	93.8	Very high	78.1	Confident	8 Å²	8	60 Å²	60	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	178.9	67.2	95.5	0	0	0	110.7	T393 E394 I406 Y414 L415 I416	L380-T393 CarbonylContact O-C 3.5Å; L380-T393 WeakPolarHBondContact O-CA 3.28Å; L380-E394 HydrophobicContact CD1-CB 3.89Å; L380-E394 HydrophobicContact CD1-CG 4.35Å; L380-E394 HydrophobicContact CG-CB 3.95Å; L380-E394 PolarHBondContact N-O 3.22Å; L380-E394 PolarHBondContact O-N 2.78Å; L380-I406 HydrophobicContact CD2-CG2 3.61Å; L380-Y414 HydrophobicContact CD1-CD1 4.04Å; L380-Y414 HydrophobicContact CD1-CE1 4.42Å; L380-L415 WeakPolarHBondContact CA-O 3.42Å; L380-I416 HydrophobicContact CB-CG1 4.08Å
381	S	91.4	Very high	77.2	Confident	18 Å²	18	61.5 Å²	61.5	13%	0.126	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.3	172.1	58.6	0	0	0	0	110.1	Y414 L415	S381-Y414 CarbonylContact O-C 3.6Å; S381-Y414 WeakPolarHBondContact O-CA 3.48Å; S381-L415 PolarHBondContact N-O 3.27Å; S381-L415 PolarHBondContact O-N 2.91Å
382	E	89.8	Confident	76.6	Confident	52 Å²	52	66.2 Å²	66.2	24%	0.243	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.3	177.5	-171.9	-170.4	152	0	0	110	G384 S390 R412 Y414	E382-G384 PolarHBondContact O-N 3.31Å; E382-S390 WeakPolarHBondContact CB-OG 3.5Å; E382-S390 PolarHBondContact N-OG 2.89Å; E382-S390 WeakPolarHBondContact O-CB 3.17Å; E382-S390 PolarHBondContact O-N 3.21Å; E382-S390 PolarHBondContact O-OG 2.87Å; E382-R412 VanDerWaalsContact CD-CD 3.49Å; E382-R412 VanDerWaalsContact OE1-CD 3.31Å; E382-R412 WeakPolarHBondContact OE1-CD 3.48Å; E382-R412 IonicContact OE1-CZ 2.82Å; E382-R412 IonicContact OE1-NE 3.57Å; E382-R412 IonicContact OE1-NH1 2.79Å; E382-R412 PolarHBondContact OE1-NH1 3.13Å; E382-R412 IonicContact OE2-CZ 3.41Å; E382-R412 IonicContact OE2-NE 3.56Å; E382-R412 IonicContact OE2-NH1 3.13Å; E382-R412 PolarHBondContact OE2-NH1 3.47Å; E382-Y414 HydrophobicContact CB-CD1 4.24Å; E382-Y414 HydrophobicContact CB-CE1 4.2Å; E382-Y414 HydrophobicContact CG-CE1 4.28Å
383	T	81.6	Confident	76.7	Confident	38 Å²	38	64.3 Å²	64.3	23%	0.233	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.4	173.6	53.7	0	0	0	0	108.9	Q413 L415	T383-Q413 PolarHBondContact N-O 3.22Å; T383-Q413 WeakPolarHBondContact OG1-CB 3.36Å; T383-Q413 PolarHBondContact OG1-O 2.79Å; T383-L415 HydrophobicContact CG2-CB 4.25Å
384	G	64.6	Low	76.7	Confident	29 Å²	29	68.8 Å²	68.8	30%	0.299	41%	0.412	S	S	.	.			trans	-59.9	150.5	-179	0	0	0	0	0	112.7	E382 V386 A388	E382-G384 PolarHBondContact O-N 3.31Å; G384-V386 PolarHBondContact O-N 3.03Å; G384-A388 PolarHBondContact N-O 2.9Å
385	T	54.5	Low	76.7	Confident	147 Å²	147	66.6 Å²	66.6	90%	0.902	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	0.8	-175.8	40.8	0	0	0	0	115.4
386	V	52.5	Low	76.7	Confident	130 Å²	130	68.5 Å²	68.5	79%	0.788	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.8	72.8	173.4	-168.5	0	0	0	0	110.3	G384 A388	G384-V386 PolarHBondContact O-N 3.03Å; V386-A388 PolarHBondContact O-N 2.93Å
387	G	47.8	Very low	76.5	Confident	88 Å²	88	72.6 Å²	72.6	91%	0.907	44%	0.439	S	S	*	.	S	Bend	trans	57.5	5.8	161.6	0	0	0	0	0	118.2
388	A	46.8	Very low	76.4	Confident	69 Å²	69	74.4 Å²	74.4	57%	0.57	46%	0.458	S	S	*	.			trans	-101.9	104	170.9	0	0	0	0	0	106.5	G384 V386 S390	G384-A388 PolarHBondContact N-O 2.9Å; V386-A388 PolarHBondContact O-N 2.93Å; A388-S390 PolarHBondContact O-N 3.43Å
389	E	52	Low	76.3	Confident	150 Å²	150	75 Å²	75	70%	0.701	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	128.5	166.3	-66	-179.6	168.8	0	0	107.6	N391	E389-N391 PolarHBondContact O-N 2.81Å
390	S	55.4	Low	76.2	Confident	43 Å²	43	78.9 Å²	78.9	30%	0.301	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	125.1	168	64.8	0	0	0	0	107.2	E382 A388 I392	E382-S390 WeakPolarHBondContact CB-OG 3.5Å; E382-S390 PolarHBondContact N-OG 2.89Å; E382-S390 WeakPolarHBondContact O-CB 3.17Å; E382-S390 PolarHBondContact O-N 3.21Å; E382-S390 PolarHBondContact O-OG 2.87Å; A388-S390 PolarHBondContact O-N 3.43Å; S390-I392 PolarHBondContact O-N 2.82Å
391	N	60.7	Low	76.2	Confident	159 Å²	159	81.9 Å²	81.9	85%	0.85	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	-1.6	179.9	-79.2	-14.8	0	0	0	113	E389	E389-N391 PolarHBondContact O-N 2.81Å
392	I	71.1	Confident	76.4	Confident	127 Å²	127	83.3 Å²	83.3	65%	0.651	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.9	-176.2	-58.3	171.9	0	0	0	107.3	S390	S390-I392 PolarHBondContact O-N 2.82Å
393	T	82.8	Confident	76.6	Confident	66 Å²	66	85.3 Å²	85.3	41%	0.405	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.8	167.6	-55.3	0	0	0	0	107.6	E379 L380	E379-T393 HydrophobicContact CB-CG2 3.98Å; L380-T393 CarbonylContact O-C 3.5Å; L380-T393 WeakPolarHBondContact O-CA 3.28Å
394	E	90.6	Very high	77.2	Confident	120 Å²	120	84.1 Å²	84.1	56%	0.561	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.5	169.9	-62.3	-177.3	177.3	0	0	109.2	E379 L380	E379-E394 CarbonylContact C-O 3.38Å; E379-E394 WeakPolarHBondContact CA-O 3.43Å; L380-E394 HydrophobicContact CD1-CB 3.89Å; L380-E394 HydrophobicContact CD1-CG 4.35Å; L380-E394 HydrophobicContact CG-CB 3.95Å; L380-E394 PolarHBondContact N-O 3.22Å; L380-E394 PolarHBondContact O-N 2.78Å
395	S	93.8	Very high	78.6	Confident	62 Å²	62	87 Å²	87	43%	0.434	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.7	-177.7	-58.4	0	0	0	0	110.9	V378	V378-S395 CarbonylContact O-C 3.51Å; V378-S395 WeakPolarHBondContact O-CA 3.35Å
396	I	94.5	Very high	80.4	Confident	63 Å²	63	80.1 Å²	80.1	32%	0.323	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.5	169.8	-55.5	170.4	0	0	0	107	I377 V378 V399 I406	I377-I396 CarbonylContact C-O 3.6Å; I377-I396 WeakPolarHBondContact CA-O 3.44Å; V378-I396 HydrophobicContact CB-CB 4.34Å; V378-I396 PolarHBondContact N-O 2.76Å; V378-I396 PolarHBondContact O-N 2.97Å; I396-V399 HydrophobicContact CG2-CG2 3.82Å; I396-I406 HydrophobicContact CD1-CG1 4.07Å; I396-I406 HydrophobicContact CD1-CG2 4.09Å
397	V	94.9	Very high	82.3	Confident	99 Å²	99	82.3 Å²	82.3	60%	0.6	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	162.2	-176.7	-61.6	0	0	0	0	111.6	I377 V399	I377-V397 HydrophobicContact CG1-CG1 4.23Å; I377-V397 HydrophobicContact CG2-CG1 4.16Å; V397-V399 VanDerWaalsContact C-N 3.32Å; V397-V399 PolarHBondContact O-N 2.87Å
398	A	92.9	Very high	84.3	Confident	69 Å²	69	79 Å²	79	57%	0.57	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.3	35.2	174.1	0	0	0	0	0	114.3	Y376 P400	Y376-A398 PolarHBondContact O-N 2.95Å; A398-P400 VanDerWaalsContact O-CD 3.32Å; A398-P400 WeakPolarHBondContact O-CD 3.36Å
399	V	95.5	Very high	86.3	Confident	12 Å²	12	81 Å²	81	7%	0.073	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.3	173.4	-175.9	0	0	0	0	108.7	W365 S375 Y376 V378 I396 V397 T401 C404	W365-V399 HydrophobicContact CH2-CG1 4.04Å; W365-V399 HydrophobicContact CZ2-CG1 4.23Å; S375-V399 CarbonylContact C-O 3.33Å; S375-V399 WeakPolarHBondContact CA-O 3.32Å; Y376-V399 WeakPolarHBondContact CD2-O 3.25Å; Y376-V399 PolarHBondContact N-O 3.44Å; Y376-V399 PolarHBondContact O-N 3.09Å; V378-V399 HydrophobicContact CG2-CG2 4.16Å; I396-V399 HydrophobicContact CG2-CG2 3.82Å; V397-V399 VanDerWaalsContact C-N 3.32Å; V397-V399 PolarHBondContact O-N 2.87Å; V399-T401 WeakPolarHBondContact CG1-O 2.99Å; V399-C404 HydrophobicContact CG1-CB 4.29Å
400	P	93.8	Very high	88	Confident	107 Å²	107	76.8 Å²	76.8	70%	0.695	44%	0.437	S	S	*	.			trans	-86.9	-7.8	-170.7	33.4	-34.9	0	0	0	113.9	A398	A398-P400 VanDerWaalsContact O-CD 3.32Å; A398-P400 WeakPolarHBondContact O-CD 3.36Å
401	T	94.2	Very high	89.5	Confident	71 Å²	71	77.3 Å²	77.3	44%	0.436	45%	0.449	S	S	.	.	S	Bend	trans	-127.8	162.3	-174.4	56.8	0	0	0	0	110.9	W365 V399 Q403	W365-T401 WeakPolarHBondContact CZ2-O 3.18Å; V399-T401 WeakPolarHBondContact CG1-O 2.99Å; T401-Q403 PolarHBondContact O-N 2.88Å; T401-Q403 PolarHBondContact OG1-O 3.03Å
402	C	95	Very high	90.9	Very high	48 Å²	48	73.9 Å²	73.9	32%	0.324	43%	0.425	S	S	.	.	S	Bend	trans	-77.3	26.9	178.4	-56.1	0	0	0	0	114.3	W365 Y376	W365-C402 VanDerWaalsContact CE2-CA 3.47Å; W365-C402 HydrophobicContact CG-CB 4.37Å; W365-C402 PolarHBondContact N-O 2.86Å; W365-C402 VanDerWaalsContact O-CB 3.24Å; W365-C402 WeakPolarHBondContact O-CB 3.07Å; Y376-C402 PolarHBondContact OH-SG 2.84Å
403	Q	94	Very high	91.9	Very high	95 Å²	95	72.5 Å²	72.5	44%	0.444	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.4	176.8	64.4	178.6	18.4	0	0	110.7	L362 I363 R364 T401	L362-Q403 HydrophobicContact CD1-CB 4.48Å; I363-Q403 CarbonylContact O-C 3.55Å; I363-Q403 VanDerWaalsContact O-CA 3.25Å; I363-Q403 WeakPolarHBondContact O-CA 3.47Å; R364-Q403 HydrophobicContact CG-CB 3.95Å; T401-Q403 PolarHBondContact O-N 2.88Å; T401-Q403 PolarHBondContact OG1-O 3.03Å
404	C	94.7	Very high	92.3	Very high	13 Å²	13	70 Å²	70	9%	0.088	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.7	177.2	-173.9	0	0	0	0	110.7	I363 W365 V378 V399 I406	I363-C404 PolarHBondContact N-O 3.38Å; I363-C404 PolarHBondContact O-N 2.94Å; W365-C404 HydrophobicContact CH2-CB 3.71Å; W365-C404 HydrophobicContact CZ3-CB 3.82Å; V378-C404 HydrophobicContact CG2-CB 4Å; V399-C404 HydrophobicContact CG1-CB 4.29Å; C404-I406 HydrophobicContact CB-CG1 4.46Å
405	L	92.7	Very high	92.5	Very high	89 Å²	89	66.6 Å²	66.6	47%	0.466	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.8	167.9	-177.4	67.2	0	0	0	108.7	A360 L362 V494	A360-L405 HydrophobicContact CB-CD1 4.2Å; L362-L405 HydrophobicContact CB-CD1 4.12Å; L362-L405 HydrophobicContact CD1-CB 4.22Å; L405-V494 HydrophobicContact CD1-CG2 3.73Å; L405-V494 HydrophobicContact CD2-CG2 4.49Å
406	I	93	Very high	92.5	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.5	-175.4	-51.7	173.7	0	0	0	108.1	A360 A361 I363 V378 L380 I396 C404 L408 I416	A360-I406 CarbonylContact C-O 3.46Å; A360-I406 WeakPolarHBondContact CA-O 3.46Å; A360-I406 WeakPolarHBondContact CB-O 3.44Å; A361-I406 PolarHBondContact N-O 2.75Å; A361-I406 PolarHBondContact O-N 2.87Å; I363-I406 HydrophobicContact CB-CD1 4.46Å; I363-I406 HydrophobicContact CG1-CD1 3.52Å; I363-I406 HydrophobicContact CG1-CG1 4.35Å; V378-I406 HydrophobicContact CG1-CD1 3.73Å; L380-I406 HydrophobicContact CD2-CG2 3.61Å; I396-I406 HydrophobicContact CD1-CG1 4.07Å; I396-I406 HydrophobicContact CD1-CG2 4.09Å; C404-I406 HydrophobicContact CB-CG1 4.46Å; I406-L408 HydrophobicContact CG2-CD2 3.63Å; I406-L408 HydrophobicContact CG2-CG 4.06Å; I406-I416 HydrophobicContact CD1-CD1 4.03Å; I406-I416 HydrophobicContact CD1-CG2 4.32Å
407	Q	91.4	Very high	92.6	Very high	176 Å²	176	60.7 Å²	60.7	82%	0.822	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.7	171	-68.4	-177.9	-5.2	0	0	109.4
408	L	90.6	Very high	92.7	Very high	17 Å²	17	56 Å²	56	9%	0.089	32%	0.32	C	S	.	.			trans	-133.3	155	-173.6	-62.2	175.9	0	0	0	110.1	E359 A361 I406 Y414 I435 T437	E359-L408 CarbonylContact C-O 3.56Å; E359-L408 VanDerWaalsContact C-O 3.27Å; E359-L408 WeakPolarHBondContact CA-O 3.19Å; E359-L408 PolarHBondContact O-N 2.88Å; A361-L408 HydrophobicContact CB-CD1 3.6Å; I406-L408 HydrophobicContact CG2-CD2 3.63Å; I406-L408 HydrophobicContact CG2-CG 4.06Å; L408-Y414 HydrophobicContact CB-CD2 4.4Å; L408-Y414 HydrophobicContact CB-CE2 3.78Å; L408-Y414 HydrophobicContact CD1-CD2 3.84Å; L408-Y414 HydrophobicContact CD1-CE2 4.07Å; L408-Y414 HydrophobicContact CD1-CG 4.42Å; L408-Y414 HydrophobicContact CD2-CD1 3.96Å; L408-Y414 HydrophobicContact CD2-CD2 3.95Å; L408-Y414 HydrophobicContact CD2-CE1 3.91Å; L408-Y414 HydrophobicContact CD2-CE2 3.91Å; L408-Y414 HydrophobicContact CD2-CG 3.96Å; L408-Y414 HydrophobicContact CG-CD2 4.29Å; L408-Y414 HydrophobicContact CG-CE2 4.14Å; L408-I435 HydrophobicContact CD1-CG2 4.24Å; L408-T437 HydrophobicContact CB-CG2 3.71Å; L408-T437 HydrophobicContact CD1-CG2 3.65Å; L408-T437 HydrophobicContact CG-CG2 4.35Å
409	Q	89	Confident	92.9	Very high	111 Å²	111	55.6 Å²	55.6	52%	0.519	30%	0.303	S	S	.	.			trans	-83.1	137.3	172.8	-50.7	-175.9	13.3	0	0	110.8	R412 Y414 T437	Q409-R412 HydrophobicContact CB-CG 4.32Å; Q409-Y414 WeakPolarHBondContact CA-OH 3.38Å; Q409-Y414 WeakPolarHBondContact CB-OH 3.31Å; Q409-Y414 PolarHBondContact N-OH 2.82Å; Q409-Y414 PolarHBondContact O-OH 2.9Å; Q409-T437 PolarHBondContact O-OG1 3.11Å
410	A	88.4	Confident	92.9	Very high	62 Å²	62	55 Å²	55	51%	0.512	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	147.8	-178.1	0	0	0	0	0	114	P358 R412	P358-A410 HydrophobicContact CB-CB 4.04Å; P358-A410 WeakPolarHBondContact O-CA 3.26Å; P358-A410 VanDerWaalsContact O-CB 3.25Å; P358-A410 WeakPolarHBondContact O-CB 3.34Å; P358-A410 PolarHBondContact O-N 3.34Å; A410-R412 VanDerWaalsContact C-N 3.27Å; A410-R412 PolarHBondContact O-N 2.84Å
411	G	87.1	Confident	92.9	Very high	54 Å²	54	51 Å²	51	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	16.6	177.1	0	0	0	0	0	114.5	T437	G411-T437 PolarHBondContact N-O 3.49Å; G411-T437 PolarHBondContact N-OG1 3.35Å
412	R	89.3	Confident	92.9	Very high	88 Å²	88	48 Å²	48	33%	0.332	26%	0.255	S	S	.	.			trans	-113.6	162.4	180	-56	-163	-178.5	-136.5	8.9	112.4	E382 Q409 A410 Y414 T437	E382-R412 VanDerWaalsContact CD-CD 3.49Å; E382-R412 VanDerWaalsContact OE1-CD 3.31Å; E382-R412 WeakPolarHBondContact OE1-CD 3.48Å; E382-R412 IonicContact OE1-CZ 2.82Å; E382-R412 IonicContact OE1-NE 3.57Å; E382-R412 IonicContact OE1-NH1 2.79Å; E382-R412 PolarHBondContact OE1-NH1 3.13Å; E382-R412 IonicContact OE2-CZ 3.41Å; E382-R412 IonicContact OE2-NE 3.56Å; E382-R412 IonicContact OE2-NH1 3.13Å; E382-R412 PolarHBondContact OE2-NH1 3.47Å; Q409-R412 HydrophobicContact CB-CG 4.32Å; A410-R412 VanDerWaalsContact C-N 3.27Å; A410-R412 PolarHBondContact O-N 2.84Å; R412-Y414 HydrophobicContact CB-CD2 4.47Å; R412-Y414 HydrophobicContact CB-CE2 3.62Å; R412-Y414 WeakPolarHBondContact CD-OH 3.2Å; R412-T437 PolarHBondContact N-OG1 3.06Å; R412-T437 PolarHBondContact O-N 3.05Å; R412-T437 PolarHBondContact O-OG1 2.65Å
413	Q	91.2	Very high	92.8	Very high	98 Å²	98	49.4 Å²	49.4	46%	0.458	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.2	173.2	-71.8	-176.4	-15.2	0	0	110.2	T383 I435	T383-Q413 PolarHBondContact N-O 3.22Å; T383-Q413 WeakPolarHBondContact OG1-CB 3.36Å; T383-Q413 PolarHBondContact OG1-O 2.79Å; Q413-I435 WeakPolarHBondContact CA-O 3.47Å
414	Y	91.8	Very high	92.6	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.1	-178.3	-58.6	-91.5	0	0	0	110.2	L380 S381 E382 L408 Q409 R412 T434 I435 T437	L380-Y414 HydrophobicContact CD1-CD1 4.04Å; L380-Y414 HydrophobicContact CD1-CE1 4.42Å; S381-Y414 CarbonylContact O-C 3.6Å; S381-Y414 WeakPolarHBondContact O-CA 3.48Å; E382-Y414 HydrophobicContact CB-CD1 4.24Å; E382-Y414 HydrophobicContact CB-CE1 4.2Å; E382-Y414 HydrophobicContact CG-CE1 4.28Å; L408-Y414 HydrophobicContact CB-CD2 4.4Å; L408-Y414 HydrophobicContact CB-CE2 3.78Å; L408-Y414 HydrophobicContact CD1-CD2 3.84Å; L408-Y414 HydrophobicContact CD1-CE2 4.07Å; L408-Y414 HydrophobicContact CD1-CG 4.42Å; L408-Y414 HydrophobicContact CD2-CD1 3.96Å; L408-Y414 HydrophobicContact CD2-CD2 3.95Å; L408-Y414 HydrophobicContact CD2-CE1 3.91Å; L408-Y414 HydrophobicContact CD2-CE2 3.91Å; L408-Y414 HydrophobicContact CD2-CG 3.96Å; L408-Y414 HydrophobicContact CG-CD2 4.29Å; L408-Y414 HydrophobicContact CG-CE2 4.14Å; Q409-Y414 WeakPolarHBondContact CA-OH 3.38Å; Q409-Y414 WeakPolarHBondContact CB-OH 3.31Å; Q409-Y414 PolarHBondContact N-OH 2.82Å; Q409-Y414 PolarHBondContact O-OH 2.9Å; R412-Y414 HydrophobicContact CB-CD2 4.47Å; R412-Y414 HydrophobicContact CB-CE2 3.62Å; R412-Y414 WeakPolarHBondContact CD-OH 3.2Å; Y414-T434 CarbonylContact O-C 3.56Å; Y414-T434 WeakPolarHBondContact O-CA 3.22Å; Y414-I435 PolarHBondContact N-O 3.42Å; Y414-I435 PolarHBondContact O-N 3.09Å; Y414-T437 HydrophobicContact CD2-CG2 4.08Å; Y414-T437 HydrophobicContact CE2-CG2 3.78Å
415	L	94.1	Very high	92.5	Very high	50 Å²	50	44.4 Å²	44.4	26%	0.262	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.3	167.2	-172.9	67.7	0	0	0	108.2	L380 S381 T383 A432 I433	L380-L415 WeakPolarHBondContact CA-O 3.42Å; S381-L415 PolarHBondContact N-O 3.27Å; S381-L415 PolarHBondContact O-N 2.91Å; T383-L415 HydrophobicContact CG2-CB 4.25Å; L415-A432 HydrophobicContact CD1-CB 3.5Å; L415-A432 VanDerWaalsContact CD1-CB 3.5Å; L415-A432 HydrophobicContact CD2-CB 4.2Å; L415-A432 HydrophobicContact CG-CB 3.72Å; L415-I433 WeakPolarHBondContact CA-O 2.97Å
416	I	95	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.5	-173.9	-56.3	172.6	0	0	0	109.7	I363 V378 E379 L380 I406 A432 I433 I435	I363-I416 HydrophobicContact CD1-CD1 3.8Å; I363-I416 HydrophobicContact CG1-CD1 3.98Å; I363-I416 HydrophobicContact CG1-CG2 4.34Å; V378-I416 HydrophobicContact CG1-CG2 3.77Å; E379-I416 WeakPolarHBondContact O-CA 3.37Å; L380-I416 HydrophobicContact CB-CG1 4.08Å; I406-I416 HydrophobicContact CD1-CD1 4.03Å; I406-I416 HydrophobicContact CD1-CG2 4.32Å; I416-A432 CarbonylContact O-C 3.5Å; I416-A432 WeakPolarHBondContact O-CA 3.41Å; I416-I433 HydrophobicContact CB-CG1 4.19Å; I416-I433 PolarHBondContact N-O 2.89Å; I416-I433 PolarHBondContact O-N 3.4Å; I416-I435 HydrophobicContact CD1-CB 4.15Å; I416-I435 HydrophobicContact CD1-CG1 3.77Å
417	S	96	Very high	92.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.1	174.3	61.4	0	0	0	0	110.5	E379 R429	E379-S417 PolarHBondContact N-O 3.25Å; E379-S417 PolarHBondContact O-N 2.67Å; S417-R429 PolarHBondContact OG-NE 3.31Å; S417-R429 PolarHBondContact OG-NH2 2.84Å
418	V	96.9	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.9	-178.7	-172.6	0	0	0	0	109.9	P347 I349 W365 Y376 I377 V378 S430	P347-V418 HydrophobicContact CG-CB 3.84Å; P347-V418 HydrophobicContact CG-CG1 3.72Å; P347-V418 WeakPolarHBondContact CG-O 3.4Å; I349-V418 HydrophobicContact CD1-CG2 3.92Å; I349-V418 HydrophobicContact CG1-CG2 4.05Å; W365-V418 HydrophobicContact CD2-CG1 4.03Å; W365-V418 HydrophobicContact CD2-CG2 4.18Å; W365-V418 HydrophobicContact CE3-CG1 4.48Å; W365-V418 HydrophobicContact CE3-CG2 3.96Å; W365-V418 HydrophobicContact CG-CG1 4.42Å; W365-V418 HydrophobicContact CH2-CG1 4.45Å; W365-V418 HydrophobicContact CZ2-CG1 4.01Å; W365-V418 HydrophobicContact CZ3-CG2 4.24Å; Y376-V418 HydrophobicContact CD1-CG1 4.12Å; Y376-V418 HydrophobicContact CG-CG1 4.41Å; I377-V418 CarbonylContact O-C 3.53Å; I377-V418 WeakPolarHBondContact O-CA 3.45Å; V378-V418 HydrophobicContact CG1-CG2 4.42Å; V378-V418 HydrophobicContact CG2-CG1 4.4Å; V378-V418 HydrophobicContact CG2-CG2 4.22Å; V418-S430 PolarHBondContact N-OG 2.96Å; V418-S430 WeakPolarHBondContact O-CB 3.2Å; V418-S430 PolarHBondContact O-N 3.03Å
419	R	96.4	Very high	93	Very high	60 Å²	60	42.3 Å²	42.3	23%	0.226	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.3	170.4	-59.2	175.4	-178	-114.3	9.1	109.8	Y376 I377 E379 S427 R429	Y376-R419 CarbonylContact C-O 3.38Å; Y376-R419 WeakPolarHBondContact CA-O 3.2Å; Y376-R419 WeakPolarHBondContact CB-O 3.49Å; I377-R419 HydrophobicContact CB-CB 4.37Å; I377-R419 PolarHBondContact N-O 2.92Å; I377-R419 PolarHBondContact O-N 3.46Å; E379-R419 IonicContact OE1-CZ 3.98Å; E379-R419 IonicContact OE1-NE 2.69Å; E379-R419 PolarHBondContact OE1-NE 3.35Å; E379-R419 VanDerWaalsContact OE1-NE 3.12Å; E379-R419 IonicContact OE1-NH2 3.69Å; E379-R419 IonicContact OE2-CZ 2.83Å; E379-R419 IonicContact OE2-NE 3.87Å; E379-R419 PolarHBondContact OE2-NE 3.17Å; E379-R419 VanDerWaalsContact OE2-NE 3.13Å; E379-R419 IonicContact OE2-NH2 2.95Å; R419-S427 WeakPolarHBondContact CA-OG 3.26Å; R419-S427 PolarHBondContact NH1-O 3.05Å; R419-R429 HydrophobicContact CG-CG 4.47Å
420	A	95.9	Very high	93.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	144.8	169.1	0	0	0	0	0	109.4	P344 V373 Y376 P426 S427	P344-A420 HydrophobicContact CB-CB 3.72Å; P344-A420 HydrophobicContact CG-CB 4.21Å; V373-A420 HydrophobicContact CG1-CB 3.77Å; V373-A420 HydrophobicContact CG2-CB 4.31Å; Y376-A420 HydrophobicContact CD1-CB 4.03Å; Y376-A420 HydrophobicContact CE1-CB 3.88Å; A420-P426 CarbonylContact O-C 3.58Å; A420-P426 WeakPolarHBondContact O-CA 3.32Å; A420-S427 PolarHBondContact N-OG 3.07Å; A420-S427 PolarHBondContact O-N 3.41Å; A420-S427 PolarHBondContact O-OG 3.01Å
421	V	95.2	Very high	93.7	Very high	24 Å²	24	41.5 Å²	41.5	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	-177.1	-174.7	0	0	0	0	109.6	V373 D374 S375 I377 P426	V373-V421 VanDerWaalsContact CG1-O 3.28Å; V373-V421 WeakPolarHBondContact CG1-O 3.39Å; D374-V421 WeakPolarHBondContact CB-O 3.25Å; D374-V421 PolarHBondContact N-O 3.46Å; S375-V421 PolarHBondContact N-O 2.76Å; S375-V421 WeakPolarHBondContact O-CB 3.38Å; S375-V421 PolarHBondContact O-N 2.88Å; I377-V421 HydrophobicContact CD1-CG2 3.57Å; I377-V421 HydrophobicContact CG1-CG2 3.66Å; V421-P426 HydrophobicContact CG2-CB 4.16Å
422	N	93.9	Very high	94	Very high	8 Å²	8	41 Å²	41	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-174.8	163.8	72.3	7.7	0	0	0	110.4	N316 T342 P344 D374 G424 G425	N316-N422 PolarHBondContact OD1-ND2 3.12Å; T342-N422 PolarHBondContact O-ND2 3.19Å; P344-N422 VanDerWaalsContact CD-CG 3.47Å; P344-N422 WeakPolarHBondContact CD-OD1 3.13Å; P344-N422 HydrophobicContact CG-CB 3.85Å; D374-N422 WeakPolarHBondContact OD2-CA 3.15Å; N422-G424 PolarHBondContact O-N 3.34Å; N422-G424 VanDerWaalsContact O-N 3.15Å; N422-G424 VanDerWaalsContact OD1-CA 3.26Å; N422-G424 WeakPolarHBondContact OD1-CA 3.21Å; N422-G424 PolarHBondContact OD1-N 3.4Å; N422-G425 PolarHBondContact N-O 2.97Å; N422-G425 PolarHBondContact O-N 2.88Å; N422-G425 PolarHBondContact OD1-N 2.87Å
423	I	91.6	Very high	94.2	Very high	77 Å²	77	37.2 Å²	37.2	40%	0.395	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.5	174.4	-168.2	165.1	0	0	0	114.1	P254 N255 M341 D374 G425	P254-I423 WeakPolarHBondContact CA-O 3.27Å; N255-I423 PolarHBondContact N-O 2.89Å; M341-I423 HydrophobicContact CB-CG2 3.77Å; M341-I423 HydrophobicContact CG-CG2 3.92Å; D374-I423 PolarHBondContact OD2-N 2.92Å; D374-I423 VanDerWaalsContact OD2-N 3.14Å; I423-G425 VanDerWaalsContact C-N 3.29Å; I423-G425 PolarHBondContact O-N 3.14Å
424	G	89.9	Confident	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.8	176.3	0	0	0	0	0	114	Q252 N255 S256 A257 N422	Q252-G424 VanDerWaalsContact NE2-CA 3.29Å; N255-G424 CarbonylContact C-O 3.55Å; N255-G424 WeakPolarHBondContact CA-O 3.33Å; S256-G424 PolarHBondContact N-O 3.16Å; A257-G424 PolarHBondContact N-O 3.27Å; N422-G424 PolarHBondContact O-N 3.34Å; N422-G424 VanDerWaalsContact O-N 3.15Å; N422-G424 VanDerWaalsContact OD1-CA 3.26Å; N422-G424 WeakPolarHBondContact OD1-CA 3.21Å; N422-G424 PolarHBondContact OD1-N 3.4Å
425	G	92.4	Very high	94.3	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.4	-175.8	176.3	0	0	0	0	0	113.6	N255 N422 I423	N255-G425 VanDerWaalsContact OD1-CA 3.31Å; N255-G425 WeakPolarHBondContact OD1-CA 3.5Å; N422-G425 PolarHBondContact N-O 2.97Å; N422-G425 PolarHBondContact O-N 2.88Å; N422-G425 PolarHBondContact OD1-N 2.87Å; I423-G425 VanDerWaalsContact C-N 3.29Å; I423-G425 PolarHBondContact O-N 3.14Å
426	P	94.9	Very high	94	Very high	56 Å²	56	36.3 Å²	36.3	36%	0.364	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.5	175.3	31.7	-34.9	0	0	0	111.6	N255 V343 I377 A420 V421	N255-P426 VanDerWaalsContact OD1-CD 3.24Å; N255-P426 WeakPolarHBondContact OD1-CD 3.24Å; V343-P426 VanDerWaalsContact CG1-O 3.3Å; V343-P426 WeakPolarHBondContact CG1-O 3.45Å; I377-P426 HydrophobicContact CD1-CB 4.46Å; A420-P426 CarbonylContact O-C 3.58Å; A420-P426 WeakPolarHBondContact O-CA 3.32Å; V421-P426 HydrophobicContact CG2-CB 4.16Å
427	S	95.4	Very high	93.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-66.7	171.3	169.6	74.7	0	0	0	0	112	P344 R419 A420	P344-S427 WeakPolarHBondContact O-CB 3.09Å; R419-S427 WeakPolarHBondContact CA-OG 3.26Å; R419-S427 PolarHBondContact NH1-O 3.05Å; A420-S427 PolarHBondContact N-OG 3.07Å; A420-S427 PolarHBondContact O-N 3.41Å; A420-S427 PolarHBondContact O-OG 3.01Å
428	D	94.1	Very high	93.4	Very high	89 Å²	89	39.1 Å²	39.1	48%	0.476	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-60.4	163.3	160.4	-58.7	-47.3	0	0	0	110.8	Q259 P346	Q259-D428 PolarHBondContact NE2-OD2 3.02Å; Q259-D428 PolarHBondContact OE1-OD2 3.27Å; P346-D428 HydrophobicContact CG-CB 3.85Å
429	R	95.2	Very high	92.9	Very high	95 Å²	95	39.2 Å²	39.2	36%	0.358	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-66.6	141	176.7	-53.4	-178	106.8	-158.9	3.6	109.6	E379 S417 R419	E379-R429 IonicContact OE2-CZ 3.64Å; E379-R429 IonicContact OE2-NE 3.42Å; E379-R429 PolarHBondContact OE2-NE 3.05Å; E379-R429 IonicContact OE2-NH2 3.31Å; E379-R429 PolarHBondContact OE2-NH2 2.93Å; S417-R429 PolarHBondContact OG-NE 3.31Å; S417-R429 PolarHBondContact OG-NH2 2.84Å; R419-R429 HydrophobicContact CG-CG 4.47Å
430	S	96.3	Very high	92.8	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.9	165.2	163.4	72.8	0	0	0	0	111.4	P347 I349 V418 A432	P347-S430 WeakPolarHBondContact O-CB 3.44Å; I349-S430 VanDerWaalsContact CD1-OG 3.31Å; I349-S430 WeakPolarHBondContact CD1-OG 3.24Å; V418-S430 PolarHBondContact N-OG 2.96Å; V418-S430 WeakPolarHBondContact O-CB 3.2Å; V418-S430 PolarHBondContact O-N 3.03Å; S430-A432 PolarHBondContact O-N 3.01Å
431	D	94.7	Very high	92.6	Very high	148 Å²	148	39.3 Å²	39.3	79%	0.791	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-53.7	129.7	160.1	-71.6	-31.9	0	0	0	109.2
432	A	93.3	Very high	92.6	Very high	43 Å²	43	38.2 Å²	38.2	36%	0.355	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-83.9	145.8	-174.9	0	0	0	0	0	111.2	L415 I416 S430	L415-A432 HydrophobicContact CD1-CB 3.5Å; L415-A432 VanDerWaalsContact CD1-CB 3.5Å; L415-A432 HydrophobicContact CD2-CB 4.2Å; L415-A432 HydrophobicContact CG-CB 3.72Å; I416-A432 CarbonylContact O-C 3.5Å; I416-A432 WeakPolarHBondContact O-CA 3.41Å; S430-A432 PolarHBondContact O-N 3.01Å
433	I	93.9	Very high	92.5	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.4	178	66.4	159.2	0	0	0	110.2	I349 Q351 C354 I363 L415 I416 I435	I349-I433 HydrophobicContact CB-CG2 4.04Å; I349-I433 HydrophobicContact CD1-CG1 4.13Å; I349-I433 HydrophobicContact CD1-CG2 4.19Å; I349-I433 HydrophobicContact CG2-CD1 3.68Å; I349-I433 HydrophobicContact CG2-CG1 4.11Å; I349-I433 HydrophobicContact CG2-CG2 3.76Å; Q351-I433 HydrophobicContact CG-CB 4.42Å; Q351-I433 HydrophobicContact CG-CG2 3.52Å; C354-I433 HydrophobicContact CB-CD1 4.36Å; I363-I433 HydrophobicContact CD1-CD1 4.14Å; I363-I433 HydrophobicContact CG2-CD1 4.31Å; L415-I433 WeakPolarHBondContact CA-O 2.97Å; I416-I433 HydrophobicContact CB-CG1 4.19Å; I416-I433 PolarHBondContact N-O 2.89Å; I416-I433 PolarHBondContact O-N 3.4Å; I433-I435 HydrophobicContact CD1-CD1 3.91Å; I433-I435 HydrophobicContact CD1-CG1 4.05Å; I433-I435 HydrophobicContact CG1-CG1 4.45Å
434	T	93.1	Very high	92.6	Very high	91 Å²	91	36.7 Å²	36.7	56%	0.558	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.9	175.5	-55.6	0	0	0	0	109.6	Y414	Y414-T434 CarbonylContact O-C 3.56Å; Y414-T434 WeakPolarHBondContact O-CA 3.22Å
435	I	91.3	Very high	92.7	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.1	175	-65.8	-60.3	0	0	0	109.6	A361 I363 L408 Q413 Y414 I416 I433	A361-I435 HydrophobicContact CB-CG2 3.82Å; I363-I435 HydrophobicContact CD1-CD1 4.22Å; I363-I435 HydrophobicContact CD1-CG1 3.96Å; L408-I435 HydrophobicContact CD1-CG2 4.24Å; Q413-I435 WeakPolarHBondContact CA-O 3.47Å; Y414-I435 PolarHBondContact N-O 3.42Å; Y414-I435 PolarHBondContact O-N 3.09Å; I416-I435 HydrophobicContact CD1-CB 4.15Å; I416-I435 HydrophobicContact CD1-CG1 3.77Å; I433-I435 HydrophobicContact CD1-CD1 3.91Å; I433-I435 HydrophobicContact CD1-CG1 4.05Å; I433-I435 HydrophobicContact CG1-CG1 4.45Å
436	S	89.6	Confident	92.5	Very high	34 Å²	34	46.2 Å²	46.2	24%	0.238	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.8	169.3	-170.7	0	0	0	0	110.2	S356 T438	S356-S436 PolarHBondContact OG-O 3.36Å; S356-S436 VanDerWaalsContact OG-O 3.05Å; S436-T438 WeakPolarHBondContact OG-CG2 3.47Å; S436-T438 PolarHBondContact OG-OG1 3.36Å
437	T	89.9	Confident	92.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.249	C	C	.	.			trans	-102.8	29.9	175.3	56.9	0	0	0	0	111.5	P358 L408 Q409 G411 R412 Y414	P358-T437 WeakPolarHBondContact CA-O 3.43Å; L408-T437 HydrophobicContact CB-CG2 3.71Å; L408-T437 HydrophobicContact CD1-CG2 3.65Å; L408-T437 HydrophobicContact CG-CG2 4.35Å; Q409-T437 PolarHBondContact O-OG1 3.11Å; G411-T437 PolarHBondContact N-O 3.49Å; G411-T437 PolarHBondContact N-OG1 3.35Å; R412-T437 PolarHBondContact N-OG1 3.06Å; R412-T437 PolarHBondContact O-N 3.05Å; R412-T437 PolarHBondContact O-OG1 2.65Å; Y414-T437 HydrophobicContact CD2-CG2 4.08Å; Y414-T437 HydrophobicContact CE2-CG2 3.78Å
438	T	87	Confident	92.1	Very high	58 Å²	58	47.5 Å²	47.5	36%	0.356	25%	0.249	S	C	.	.	S	Bend	trans	-78.6	-26.2	177.7	46	0	0	0	0	112.9	S436 G615 Q617	S436-T438 WeakPolarHBondContact OG-CG2 3.47Å; S436-T438 PolarHBondContact OG-OG1 3.36Å; T438-G615 PolarHBondContact OG1-O 3.18Å; T438-G615 VanDerWaalsContact OG1-O 3.12Å; T438-Q617 VanDerWaalsContact O-CA 3.27Å; T438-Q617 WeakPolarHBondContact O-CA 3.11Å
439	G	88.1	Confident	91.9	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	-164.3	174.9	-174.7	0	0	0	0	0	112.5	F441 I616	G439-F441 PolarHBondContact O-N 3.03Å; G439-I616 WeakPolarHBondContact CA-O 3.4Å
440	T	93.1	Very high	91.7	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.031	22%	0.219	C	C	.	.			trans	-78	119.4	175.4	-55.4	0	0	0	0	109.8	S356 F442 I492 H498 N614 G615	S356-T440 CarbonylContact O-C 3.6Å; S356-T440 WeakPolarHBondContact O-CA 3.18Å; T440-F442 HydrophobicContact CG2-CD1 4.14Å; T440-I492 HydrophobicContact CG2-CD1 4.49Å; T440-H498 HydrophobicContact CG2-CB 4.08Å; T440-H498 WeakPolarHBondContact OG1-CA 3.45Å; T440-H498 WeakPolarHBondContact OG1-CB 3.39Å; T440-H498 PolarHBondContact OG1-ND1 3.46Å; T440-N614 WeakPolarHBondContact O-CB 3.41Å; T440-G615 PolarHBondContact O-N 2.78Å
441	F	92.8	Very high	91.3	Very high	56 Å²	56	41.2 Å²	41.2	25%	0.246	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-116.9	128.7	179	-174.5	-93.8	0	0	0	110.2	S355 S356 G439 Y443 F460 N614	S355-F441 WeakPolarHBondContact CA-O 3.36Å; S355-F441 WeakPolarHBondContact CB-O 3.42Å; S356-F441 PolarHBondContact N-O 3.23Å; S356-F441 VanDerWaalsContact N-O 3.14Å; S356-F441 PolarHBondContact O-N 2.79Å; S356-F441 WeakPolarHBondContact OG-CB 3.34Å; G439-F441 PolarHBondContact O-N 3.03Å; F441-Y443 HydrophobicContact CD1-CE2 4.39Å; F441-Y443 HydrophobicContact CE1-CD2 4.21Å; F441-Y443 HydrophobicContact CE1-CE1 4.26Å; F441-Y443 AromaticContact CE1-CE2 3.44Å; F441-Y443 HydrophobicContact CE1-CE2 3.44Å; F441-Y443 VanDerWaalsContact CE1-CE2 3.44Å; F441-Y443 AromaticContact CE1-CZ 3.47Å; F441-Y443 VanDerWaalsContact CE1-CZ 3.47Å; F441-Y443 WeakPolarHBondContact CE1-OH 3.27Å; F441-Y443 HydrophobicContact CZ-CE1 4.07Å; F441-Y443 HydrophobicContact CZ-CE2 4.09Å; F441-Y443 AromaticContact CZ-CZ 3.64Å; F441-F460 HydrophobicContact CE2-CE1 4.38Å; F441-F460 AromaticContact CE2-CZ 3.77Å; F441-F460 HydrophobicContact CE2-CZ 3.77Å; F441-F460 AromaticContact CZ-CZ 3.76Å; F441-F460 HydrophobicContact CZ-CZ 3.76Å; F441-N614 VanDerWaalsContact CD2-OD1 3.26Å; F441-N614 WeakPolarHBondContact CD2-OD1 3.2Å
442	F	93.4	Very high	91	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.196	C	C	.	.			trans	-150.7	152.9	-178.5	59.1	-94.1	0	0	0	110.5	T440 F460 D490 W500 P600 F602 V612 N614	T440-F442 HydrophobicContact CG2-CD1 4.14Å; F442-F460 WeakPolarHBondContact O-CE1 3.26Å; F442-D490 HydrophobicContact CB-CB 3.96Å; F442-W500 HydrophobicContact CE1-CB 4Å; F442-W500 AromaticContact CE1-CD2 3.95Å; F442-W500 HydrophobicContact CE1-CD2 3.95Å; F442-W500 HydrophobicContact CE1-CE3 4.17Å; F442-W500 AromaticContact CE1-CG 3.89Å; F442-W500 HydrophobicContact CE1-CG 3.89Å; F442-W500 HydrophobicContact CZ-CB 4.29Å; F442-W500 HydrophobicContact CZ-CD2 4.16Å; F442-W500 AromaticContact CZ-CG 3.92Å; F442-W500 HydrophobicContact CZ-CG 3.92Å; F442-P600 HydrophobicContact CD1-CG 4.11Å; F442-P600 HydrophobicContact CD2-CB 4.45Å; F442-P600 HydrophobicContact CD2-CG 4.01Å; F442-P600 HydrophobicContact CE1-CB 4.45Å; F442-P600 HydrophobicContact CE1-CG 3.83Å; F442-P600 HydrophobicContact CE2-CB 3.79Å; F442-P600 HydrophobicContact CE2-CG 3.73Å; F442-P600 HydrophobicContact CG-CG 4.2Å; F442-P600 HydrophobicContact CZ-CB 3.78Å; F442-P600 HydrophobicContact CZ-CG 3.64Å; F442-F602 HydrophobicContact CE2-CE2 4.09Å; F442-F602 HydrophobicContact CE2-CZ 4.17Å; F442-F602 HydrophobicContact CZ-CZ 4.15Å; F442-V612 HydrophobicContact CE2-CG1 4.06Å; F442-V612 HydrophobicContact CZ-CG1 3.81Å; F442-N614 HydrophobicContact CD1-CB 4.33Å; F442-N614 HydrophobicContact CE1-CB 3.95Å; F442-N614 HydrophobicContact CZ-CB 4.36Å; F442-N614 PolarHBondContact N-ND2 3.14Å; F442-N614 PolarHBondContact O-ND2 3.46Å
443	Y	92.7	Very high	90.8	Very high	41 Å²	41	34.3 Å²	34.3	16%	0.161	18%	0.184	C	C	.	.			trans	-96.1	161.5	172.6	-68.6	-81.3	0	0	0	111.9	Q351 R352 F441 F460 G489 D490	Q351-Y443 WeakPolarHBondContact O-CE2 3.44Å; R352-Y443 WeakPolarHBondContact O-CD2 3.5Å; F441-Y443 HydrophobicContact CD1-CE2 4.39Å; F441-Y443 HydrophobicContact CE1-CD2 4.21Å; F441-Y443 HydrophobicContact CE1-CE1 4.26Å; F441-Y443 AromaticContact CE1-CE2 3.44Å; F441-Y443 HydrophobicContact CE1-CE2 3.44Å; F441-Y443 VanDerWaalsContact CE1-CE2 3.44Å; F441-Y443 AromaticContact CE1-CZ 3.47Å; F441-Y443 VanDerWaalsContact CE1-CZ 3.47Å; F441-Y443 WeakPolarHBondContact CE1-OH 3.27Å; F441-Y443 HydrophobicContact CZ-CE1 4.07Å; F441-Y443 HydrophobicContact CZ-CE2 4.09Å; F441-Y443 AromaticContact CZ-CZ 3.64Å; Y443-F460 HydrophobicContact CD1-CE1 4.26Å; Y443-F460 AromaticContact CD1-CZ 3.96Å; Y443-F460 HydrophobicContact CD1-CZ 3.96Å; Y443-F460 HydrophobicContact CE1-CE2 4.42Å; Y443-F460 AromaticContact CE1-CZ 3.8Å; Y443-F460 HydrophobicContact CE1-CZ 3.8Å; Y443-G489 CarbonylContact O-C 3.46Å; Y443-G489 WeakPolarHBondContact O-CA 3.22Å; Y443-D490 PolarHBondContact N-OD2 2.95Å; Y443-D490 PolarHBondContact O-N 2.8Å
444	L	93.9	Very high	90.7	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.8	168.7	-63.6	-179.7	0	0	0	110.3	K446 M455 I462 I487 F602	L444-K446 PolarHBondContact O-N 3.24Å; L444-M455 HydrophobicContact CB-SD 3.81Å; L444-M455 HydrophobicContact CD1-SD 4.24Å; L444-I462 HydrophobicContact CD1-CG2 3.64Å; L444-I487 HydrophobicContact CB-CD1 3.94Å; L444-F602 HydrophobicContact CD2-CD2 3.65Å; L444-F602 HydrophobicContact CD2-CE2 3.57Å
445	L	91.8	Very high	90.6	Very high	37 Å²	37	36.1 Å²	36.1	19%	0.194	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	96.8	-175.7	-69.4	179.6	0	0	0	110.4	D447 T448 I487 L488 G489 D490	L445-D447 WeakPolarHBondContact CB-OD1 3.34Å; L445-D447 PolarHBondContact O-N 2.82Å; L445-T448 HydrophobicContact CB-CG2 3.82Å; L445-T448 HydrophobicContact CD1-CG2 4.18Å; L445-T448 PolarHBondContact O-N 3.13Å; L445-T448 PolarHBondContact O-OG1 3.12Å; L445-I487 WeakPolarHBondContact O-CG1 3.29Å; L445-L488 WeakPolarHBondContact CB-O 3.49Å; L445-L488 HydrophobicContact CD1-CB 4.39Å; L445-L488 PolarHBondContact N-O 2.79Å; L445-G489 VanDerWaalsContact CD1-O 3.29Å; L445-G489 WeakPolarHBondContact CD1-O 3.44Å; L445-D490 WeakPolarHBondContact CD2-OD1 3.22Å
446	K	89.1	Confident	90.8	Very high	165 Å²	165	36.6 Å²	36.6	72%	0.717	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-59.8	-33.4	-176.3	-174	179.6	178	-176.4	0	113.3	L444 T448 A449	L444-K446 PolarHBondContact O-N 3.24Å; K446-T448 PolarHBondContact O-N 3.3Å; K446-A449 VanDerWaalsContact O-CB 3.24Å; K446-A449 WeakPolarHBondContact O-CB 3.21Å; K446-A449 PolarHBondContact O-N 3.31Å; K446-A449 VanDerWaalsContact O-N 3.17Å
447	D	89	Confident	90.8	Very high	81 Å²	81	44 Å²	44	43%	0.433	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64.8	-23.4	175.7	62.4	-44.5	0	0	0	113.1	L445 T480	L445-D447 WeakPolarHBondContact CB-OD1 3.34Å; L445-D447 PolarHBondContact O-N 2.82Å; D447-T480 WeakPolarHBondContact O-CG2 3.21Å
448	T	91.4	Very high	90.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-90.2	-9.6	175.1	71.9	0	0	0	0	113.3	L445 K446 F481 L488	L445-T448 HydrophobicContact CB-CG2 3.82Å; L445-T448 HydrophobicContact CD1-CG2 4.18Å; L445-T448 PolarHBondContact O-N 3.13Å; L445-T448 PolarHBondContact O-OG1 3.12Å; K446-T448 PolarHBondContact O-N 3.3Å; T448-F481 WeakPolarHBondContact O-CD2 3.37Å; T448-L488 HydrophobicContact CG2-CB 4.24Å; T448-L488 HydrophobicContact CG2-CD1 4.36Å; T448-L488 HydrophobicContact CG2-CG 4.46Å; T448-L488 PolarHBondContact OG1-N 2.85Å
449	A	90.6	Very high	90.9	Very high	17 Å²	17	45.5 Å²	45.5	14%	0.14	24%	0.236	C	C	.	.	S	Bend	trans	-70	135.8	-171.3	0	0	0	0	0	111.7	K446 I487	K446-A449 VanDerWaalsContact O-CB 3.24Å; K446-A449 WeakPolarHBondContact O-CB 3.21Å; K446-A449 PolarHBondContact O-N 3.31Å; K446-A449 VanDerWaalsContact O-N 3.17Å; A449-I487 HydrophobicContact CB-CB 4.31Å; A449-I487 HydrophobicContact CB-CD1 3.65Å; A449-I487 HydrophobicContact CB-CG1 3.86Å
450	H	90.8	Very high	91.1	Very high	13 Å²	13	47 Å²	47	6%	0.06	24%	0.242	C	C	.	.			trans	-59.6	138.9	167.7	-173.6	-78.8	0	0	0	110.1	C452 L453 F481 C484 V485 A486	H450-C452 PolarHBondContact CE1-SG 2.91Å; H450-C452 WeakPolarHBondContact ND1-CB 3.11Å; H450-C452 PolarHBondContact ND1-N 3.42Å; H450-C452 VanDerWaalsContact ND1-N 3.14Å; H450-C452 PolarHBondContact O-N 2.83Å; H450-L453 HydrophobicContact CB-CD1 4.45Å; H450-L453 HydrophobicContact CB-CG 4.48Å; H450-L453 WeakPolarHBondContact O-CB 3.37Å; H450-L453 PolarHBondContact O-N 3.36Å; H450-F481 HydrophobicContact CB-CB 4.46Å; H450-F481 PolarHBondContact CD2-O 3.43Å; H450-C484 PolarHBondContact CD2-O 3.07Å; H450-C484 VanDerWaalsContact CD2-O 3.3Å; H450-V485 HydrophobicContact CB-CG1 4.28Å; H450-A486 PolarHBondContact N-O 2.85Å
451	P	87.4	Confident	91.2	Very high	30 Å²	30	47.6 Å²	47.6	20%	0.195	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.6	-175.6	-29.7	35.2	0	0	0	115.5	L453 L469 F476	P451-L453 PolarHBondContact O-N 2.7Å; P451-L469 WeakPolarHBondContact O-CD1 3.47Å; P451-F476 HydrophobicContact CG-CD1 4.16Å; P451-F476 HydrophobicContact CG-CE1 3.95Å
452	C	88.2	Confident	91.3	Very high	26 Å²	26	45 Å²	45	18%	0.176	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.8	175.5	-58.3	0	0	0	0	115.4	H450 Y464 V485	H450-C452 PolarHBondContact CE1-SG 2.91Å; H450-C452 WeakPolarHBondContact ND1-CB 3.11Å; H450-C452 PolarHBondContact ND1-N 3.42Å; H450-C452 VanDerWaalsContact ND1-N 3.14Å; H450-C452 PolarHBondContact O-N 2.83Å; C452-Y464 HydrophobicContact CB-CD2 3.97Å; C452-Y464 HydrophobicContact CB-CE2 3.78Å; C452-V485 HydrophobicContact CB-CG1 4.19Å
453	L	90.7	Very high	91.3	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.8	175	-68.6	177.3	0	0	0	110.3	H450 P451 F463 V485 I487 L604	H450-L453 HydrophobicContact CB-CD1 4.45Å; H450-L453 HydrophobicContact CB-CG 4.48Å; H450-L453 WeakPolarHBondContact O-CB 3.37Å; H450-L453 PolarHBondContact O-N 3.36Å; P451-L453 PolarHBondContact O-N 2.7Å; L453-F463 WeakPolarHBondContact CA-O 3.35Å; L453-V485 HydrophobicContact CD1-CG1 4.35Å; L453-V485 HydrophobicContact CD2-CG1 3.68Å; L453-V485 HydrophobicContact CG-CG1 3.68Å; L453-I487 HydrophobicContact CD1-CB 4.03Å; L453-I487 HydrophobicContact CD1-CG2 4.28Å; L453-L604 HydrophobicContact CD2-CD1 3.96Å; L453-L604 HydrophobicContact CD2-CG 4.44Å
454	S	91.5	Very high	91.3	Very high	69 Å²	69	49.7 Å²	49.7	48%	0.483	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.3	164.5	58.9	0	0	0	0	109.4	I462 F463	S454-I462 CarbonylContact O-C 3.59Å; S454-I462 WeakPolarHBondContact O-CA 3.09Å; S454-F463 PolarHBondContact N-O 3.44Å; S454-F463 PolarHBondContact O-N 3.13Å; S454-F463 WeakPolarHBondContact OG-CB 3.12Å; S454-F463 PolarHBondContact OG-O 3.45Å
455	M	91.3	Very high	90.8	Very high	68 Å²	68	51.2 Å²	51.2	34%	0.335	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.4	-175.2	-169.1	170	64.8	0	0	109.9	L444 T461	L444-M455 HydrophobicContact CB-SD 3.81Å; L444-M455 HydrophobicContact CD1-SD 4.24Å; M455-T461 CarbonylContact C-O 3.52Å; M455-T461 VanDerWaalsContact CA-O 3.32Å; M455-T461 WeakPolarHBondContact CA-O 3.41Å
456	S	93.6	Very high	89.7	Confident	27 Å²	27	56.3 Å²	56.3	19%	0.189	30%	0.301	C	S	.	.			trans	-62.6	163.4	172.3	49	0	0	0	0	112.3	D458 G459 T461	S456-D458 VanDerWaalsContact C-N 3.27Å; S456-D458 VanDerWaalsContact CB-OD1 3.24Å; S456-D458 WeakPolarHBondContact CB-OD1 3.35Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 PolarHBondContact OG-OD1 3.45Å; S456-G459 PolarHBondContact O-N 2.77Å; S456-T461 PolarHBondContact N-O 3.14Å; S456-T461 WeakPolarHBondContact OG-CA 3.47Å; S456-T461 VanDerWaalsContact OG-CB 3.3Å; S456-T461 WeakPolarHBondContact OG-CB 3.27Å; S456-T461 PolarHBondContact OG-N 2.99Å; S456-T461 PolarHBondContact OG-O 2.84Å
457	E	89.5	Confident	88.7	Confident	188 Å²	188	56.9 Å²	56.9	88%	0.879	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.7	179.3	-172.2	175.4	-173.9	0	0	113.1	G459	E457-G459 VanDerWaalsContact C-N 3.27Å; E457-G459 PolarHBondContact O-N 2.99Å
458	D	88.4	Confident	87.4	Confident	89 Å²	89	62.3 Å²	62.3	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.8	175.6	64.5	5.5	0	0	0	113.4	S456 F460	S456-D458 VanDerWaalsContact C-N 3.27Å; S456-D458 VanDerWaalsContact CB-OD1 3.24Å; S456-D458 WeakPolarHBondContact CB-OD1 3.35Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 PolarHBondContact OG-OD1 3.45Å; D458-F460 HydrophobicContact CB-CD2 4.09Å; D458-F460 WeakPolarHBondContact O-CD2 3.47Å; D458-F460 VanDerWaalsContact O-CE2 3.27Å; D458-F460 WeakPolarHBondContact O-CE2 3.49Å; D458-F460 PolarHBondContact OD1-N 3.35Å; D458-F460 VanDerWaalsContact OD1-N 3.08Å
459	G	90.9	Very high	86	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	82.1	11	178.8	0	0	0	0	0	115.6	S456 E457	S456-G459 PolarHBondContact O-N 2.77Å; E457-G459 VanDerWaalsContact C-N 3.27Å; E457-G459 PolarHBondContact O-N 2.99Å
460	F	93.9	Very high	84.4	Confident	36 Å²	36	68.2 Å²	68.2	16%	0.158	36%	0.362	C	S	.	.			trans	-116.1	-9.7	-174	-62.5	-68.2	0	0	0	114.9	F441 F442 Y443 D458 V612	F441-F460 HydrophobicContact CE2-CE1 4.38Å; F441-F460 AromaticContact CE2-CZ 3.77Å; F441-F460 HydrophobicContact CE2-CZ 3.77Å; F441-F460 AromaticContact CZ-CZ 3.76Å; F441-F460 HydrophobicContact CZ-CZ 3.76Å; F442-F460 WeakPolarHBondContact O-CE1 3.26Å; Y443-F460 HydrophobicContact CD1-CE1 4.26Å; Y443-F460 AromaticContact CD1-CZ 3.96Å; Y443-F460 HydrophobicContact CD1-CZ 3.96Å; Y443-F460 HydrophobicContact CE1-CE2 4.42Å; Y443-F460 AromaticContact CE1-CZ 3.8Å; Y443-F460 HydrophobicContact CE1-CZ 3.8Å; D458-F460 HydrophobicContact CB-CD2 4.09Å; D458-F460 WeakPolarHBondContact O-CD2 3.47Å; D458-F460 VanDerWaalsContact O-CE2 3.27Å; D458-F460 WeakPolarHBondContact O-CE2 3.49Å; D458-F460 PolarHBondContact OD1-N 3.35Å; D458-F460 VanDerWaalsContact OD1-N 3.08Å; F460-V612 PolarHBondContact O-N 2.74Å
461	T	94.9	Very high	82.7	Confident	16 Å²	16	75.2 Å²	75.2	10%	0.098	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	175.2	-54.7	0	0	0	0	110.1	M455 S456 F463 L610 T611	M455-T461 CarbonylContact C-O 3.52Å; M455-T461 VanDerWaalsContact CA-O 3.32Å; M455-T461 WeakPolarHBondContact CA-O 3.41Å; S456-T461 PolarHBondContact N-O 3.14Å; S456-T461 WeakPolarHBondContact OG-CA 3.47Å; S456-T461 VanDerWaalsContact OG-CB 3.3Å; S456-T461 WeakPolarHBondContact OG-CB 3.27Å; S456-T461 PolarHBondContact OG-N 2.99Å; S456-T461 PolarHBondContact OG-O 2.84Å; T461-F463 HydrophobicContact CG2-CD1 4.48Å; T461-F463 HydrophobicContact CG2-CD2 4.41Å; T461-F463 HydrophobicContact CG2-CE1 3.83Å; T461-F463 HydrophobicContact CG2-CE2 3.76Å; T461-F463 HydrophobicContact CG2-CZ 3.42Å; T461-F463 VanDerWaalsContact CG2-CZ 3.42Å; T461-L610 WeakPolarHBondContact CA-O 3.11Å; T461-T611 VanDerWaalsContact CG2-OG1 3.29Å; T461-T611 WeakPolarHBondContact CG2-OG1 3.18Å; T461-T611 WeakPolarHBondContact OG1-CG2 3.32Å; T461-T611 PolarHBondContact OG1-OG1 3.24Å
462	I	95.2	Very high	81.2	Confident	1 Å²	1	80 Å²	80	1%	0.005	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.4	172.9	60.8	172.6	0	0	0	110.5	L444 S454 I487 F602 L604 A609 L610	L444-I462 HydrophobicContact CD1-CG2 3.64Å; S454-I462 CarbonylContact O-C 3.59Å; S454-I462 WeakPolarHBondContact O-CA 3.09Å; I462-I487 HydrophobicContact CD1-CG2 4.05Å; I462-I487 HydrophobicContact CG2-CD1 4.43Å; I462-I487 HydrophobicContact CG2-CG2 4.16Å; I462-F602 HydrophobicContact CD1-CB 4.05Å; I462-L604 HydrophobicContact CD1-CD1 4.25Å; I462-L604 HydrophobicContact CD1-CG 4.15Å; I462-L604 HydrophobicContact CG1-CD1 4.14Å; I462-A609 VanDerWaalsContact O-CA 3.31Å; I462-A609 WeakPolarHBondContact O-CA 3.42Å; I462-L610 HydrophobicContact CD1-CB 4.36Å; I462-L610 HydrophobicContact CD1-CD2 4.33Å; I462-L610 HydrophobicContact CG1-CB 3.93Å; I462-L610 HydrophobicContact CG1-CD2 4.22Å; I462-L610 PolarHBondContact N-O 3.45Å; I462-L610 PolarHBondContact O-N 2.99Å
463	F	93.4	Very high	79.6	Confident	83 Å²	83	81.1 Å²	81.1	36%	0.364	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.5	178.3	-53.8	-88.4	0	0	0	109.7	L453 S454 T461 G608 A609	L453-F463 WeakPolarHBondContact CA-O 3.35Å; S454-F463 PolarHBondContact N-O 3.44Å; S454-F463 PolarHBondContact O-N 3.13Å; S454-F463 WeakPolarHBondContact OG-CB 3.12Å; S454-F463 PolarHBondContact OG-O 3.45Å; T461-F463 HydrophobicContact CG2-CD1 4.48Å; T461-F463 HydrophobicContact CG2-CD2 4.41Å; T461-F463 HydrophobicContact CG2-CE1 3.83Å; T461-F463 HydrophobicContact CG2-CE2 3.76Å; T461-F463 HydrophobicContact CG2-CZ 3.42Å; T461-F463 VanDerWaalsContact CG2-CZ 3.42Å; F463-G608 WeakPolarHBondContact CA-O 3.43Å; F463-A609 HydrophobicContact CD1-CB 3.66Å; F463-A609 HydrophobicContact CE1-CB 3.87Å
464	Y	91.8	Very high	78	Confident	60 Å²	60	83 Å²	83	24%	0.235	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	167.2	-179	-162.2	0	0	0	108.2	C452 V485 L604 N606 P607 G608	C452-Y464 HydrophobicContact CB-CD2 3.97Å; C452-Y464 HydrophobicContact CB-CE2 3.78Å; Y464-V485 HydrophobicContact CD1-CG1 4.14Å; Y464-V485 HydrophobicContact CD2-CG1 4.29Å; Y464-V485 HydrophobicContact CE1-CG1 4.39Å; Y464-V485 HydrophobicContact CE1-CG2 4.31Å; Y464-V485 HydrophobicContact CG-CG1 4.13Å; Y464-L604 HydrophobicContact CD1-CB 4.02Å; Y464-L604 HydrophobicContact CG-CB 4.42Å; Y464-N606 WeakPolarHBondContact CD1-O 3.4Å; Y464-P607 HydrophobicContact CE1-CG 4.43Å; Y464-P607 CarbonylContact O-C 3.14Å; Y464-P607 WeakPolarHBondContact O-CA 3.45Å; Y464-P607 WeakPolarHBondContact O-CB 3.48Å; Y464-G608 PolarHBondContact N-O 3.29Å; Y464-G608 PolarHBondContact O-N 3.3Å
465	G	82.3	Confident	76.4	Confident	43 Å²	43	83.4 Å²	83.4	44%	0.443	45%	0.454	S	S	.	.			trans	-89	159.3	-179.3	0	0	0	0	0	113.7	E467	G465-E467 VanDerWaalsContact C-N 3.26Å; G465-E467 PolarHBondContact O-N 3.48Å
466	D	69.8	Low	75	Confident	145 Å²	145	84.6 Å²	84.6	78%	0.775	46%	0.458	S	S	*	.	S	Bend	trans	-73.1	-12.2	176	-79.3	-45.4	0	0	0	114	P607	D466-P607 WeakPolarHBondContact OD1-CB 3.43Å; D466-P607 WeakPolarHBondContact OD1-CG 3.47Å
467	E	67.8	Low	73.6	Confident	177 Å²	177	89.4 Å²	89.4	83%	0.827	48%	0.477	S	S	*	.	S	Bend	trans	-82.9	126.8	-173.2	-63.9	-167.1	166.6	0	0	112.3	G465 L469	G465-E467 VanDerWaalsContact C-N 3.26Å; G465-E467 PolarHBondContact O-N 3.48Å; E467-L469 PolarHBondContact O-N 2.9Å; E467-L469 VanDerWaalsContact O-N 3.12Å
468	E	61.1	Low	72.6	Confident	194 Å²	194	88.9 Å²	88.9	91%	0.907	48%	0.48	S	S	*	.			trans	-64.8	110.6	170.7	-73.1	-173.1	169.4	0	0	109.8
469	L	62.8	Low	71.9	Confident	64 Å²	64	87.8 Å²	87.8	34%	0.335	48%	0.475	S	S	.	.			trans	-63.9	140.1	175.1	-69.3	172.2	0	0	0	110.5	P451 E467 A473 M474	P451-L469 WeakPolarHBondContact O-CD1 3.47Å; E467-L469 PolarHBondContact O-N 2.9Å; E467-L469 VanDerWaalsContact O-N 3.12Å; L469-A473 HydrophobicContact CB-CB 4.38Å; L469-M474 HydrophobicContact CB-CE 3.92Å
470	P	56.5	Low	71.5	Confident	81 Å²	81	88.2 Å²	88.2	53%	0.526	48%	0.476	S	S	.	.			trans	-59.8	145.9	176.4	22.9	-30.9	0	0	0	110.8	T472 A473	P470-T472 PolarHBondContact O-N 2.83Å; P470-A473 HydrophobicContact CG-CB 4.14Å; P470-A473 WeakPolarHBondContact O-CA 3.42Å; P470-A473 WeakPolarHBondContact O-CB 3.17Å; P470-A473 PolarHBondContact O-N 2.87Å
471	I	56.3	Low	71	Confident	160 Å²	160	86.5 Å²	86.5	82%	0.821	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-51.5	-32.6	-175.7	-61	169.3	0	0	0	112.6	A473 M474	I471-A473 VanDerWaalsContact C-N 3.29Å; I471-A473 PolarHBondContact O-N 2.82Å; I471-M474 PolarHBondContact O-N 2.84Å
472	T	54.8	Low	70.3	Confident	130 Å²	130	88.8 Å²	88.8	80%	0.798	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-69	-21.8	177.1	49.2	0	0	0	0	114.5	P470	P470-T472 PolarHBondContact O-N 2.83Å
473	A	55.4	Low	69.7	Low	49 Å²	49	95.9 Å²	95.9	41%	0.405	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-87.8	-5.3	174	0	0	0	0	0	112.6	L469 P470 I471 A475	L469-A473 HydrophobicContact CB-CB 4.38Å; P470-A473 HydrophobicContact CG-CB 4.14Å; P470-A473 WeakPolarHBondContact O-CA 3.42Å; P470-A473 WeakPolarHBondContact O-CB 3.17Å; P470-A473 PolarHBondContact O-N 2.87Å; I471-A473 VanDerWaalsContact C-N 3.29Å; I471-A473 PolarHBondContact O-N 2.82Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.88Å
474	M	57.4	Low	69.4	Low	61 Å²	61	92 Å²	92	30%	0.3	49%	0.493	S	S	.	.			trans	-97.5	45.6	173.8	-59.2	-141	173.3	0	0	111.4	L469 I471 F476	L469-M474 HydrophobicContact CB-CE 3.92Å; I471-M474 PolarHBondContact O-N 2.84Å; M474-F476 HydrophobicContact CB-CE2 4.08Å; M474-F476 HydrophobicContact CB-CZ 4.38Å; M474-F476 WeakPolarHBondContact O-CD2 3.4Å; M474-F476 PolarHBondContact O-N 3.16Å; M474-F476 VanDerWaalsContact O-N 3.15Å; M474-F476 HydrophobicContact SD-CZ 4.4Å
475	A	57.1	Low	69.5	Low	77 Å²	77	90 Å²	90	64%	0.636	49%	0.487	S	S	*	.			trans	-73.9	101.7	168.8	0	0	0	0	0	107.8	A473 E477	A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.88Å; A475-E477 PolarHBondContact O-N 3.02Å
476	F	62.3	Low	70.1	Confident	94 Å²	94	88 Å²	88	41%	0.412	47%	0.466	S	S	.	.			trans	-77.8	109.7	173.4	-62.6	-78.2	0	0	0	108.4	P451 M474 T480 T482	P451-F476 HydrophobicContact CG-CD1 4.16Å; P451-F476 HydrophobicContact CG-CE1 3.95Å; M474-F476 HydrophobicContact CB-CE2 4.08Å; M474-F476 HydrophobicContact CB-CZ 4.38Å; M474-F476 WeakPolarHBondContact O-CD2 3.4Å; M474-F476 PolarHBondContact O-N 3.16Å; M474-F476 VanDerWaalsContact O-N 3.15Å; M474-F476 HydrophobicContact SD-CZ 4.4Å; F476-T480 WeakPolarHBondContact CA-OG1 3.4Å; F476-T482 HydrophobicContact CB-CG2 4.37Å; F476-T482 HydrophobicContact CD1-CG2 3.68Å; F476-T482 HydrophobicContact CE1-CG2 4.16Å; F476-T482 HydrophobicContact CG-CG2 4.07Å
477	E	64.9	Low	71.3	Confident	127 Å²	127	81.2 Å²	81.2	59%	0.593	43%	0.429	S	S	*	.			trans	-74.9	153.4	163.7	-60	-179.8	179.3	0	0	108.8	A475 N479 T480	A475-E477 PolarHBondContact O-N 3.02Å; E477-N479 PolarHBondContact O-N 3.47Å; E477-T480 HydrophobicContact CB-CG2 4.07Å; E477-T480 PolarHBondContact N-OG1 3.01Å; E477-T480 PolarHBondContact O-N 3.24Å; E477-T480 PolarHBondContact O-OG1 3.29Å
478	D	67.4	Low	72.6	Confident	177 Å²	177	72.8 Å²	72.8	95%	0.947	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	-172.9	-71.5	-20.6	0	0	0	113.9
479	N	73.8	Confident	74.2	Confident	67 Å²	67	63.6 Å²	63.6	36%	0.358	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.9	179.9	-159.3	28.1	0	0	0	114.7	E477 R521	E477-N479 PolarHBondContact O-N 3.47Å; N479-R521 PolarHBondContact O-NE 2.94Å; N479-R521 PolarHBondContact OD1-NE 3.46Å; N479-R521 PolarHBondContact OD1-NH2 3.26Å
480	T	81.9	Confident	75.7	Confident	10 Å²	10	61.2 Å²	61.2	6%	0.061	34%	0.335	C	S	.	.	S	Bend	trans	-86.9	144.1	-177.3	58.9	0	0	0	0	112.1	D447 F476 E477 R521	D447-T480 WeakPolarHBondContact O-CG2 3.21Å; F476-T480 WeakPolarHBondContact CA-OG1 3.4Å; E477-T480 HydrophobicContact CB-CG2 4.07Å; E477-T480 PolarHBondContact N-OG1 3.01Å; E477-T480 PolarHBondContact O-N 3.24Å; E477-T480 PolarHBondContact O-OG1 3.29Å; T480-R521 WeakPolarHBondContact O-CB 3.24Å
481	F	83.3	Confident	77.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.32	C	S	.	.			trans	-67.1	136.3	169.8	-69.8	-83.7	0	0	0	110.7	T448 H450 C484 A486 L488 R521 L525	T448-F481 WeakPolarHBondContact O-CD2 3.37Å; H450-F481 HydrophobicContact CB-CB 4.46Å; H450-F481 PolarHBondContact CD2-O 3.43Å; F481-C484 WeakPolarHBondContact CB-O 3.33Å; F481-C484 HydrophobicContact CD1-CB 4.16Å; F481-A486 HydrophobicContact CB-CB 4.4Å; F481-A486 HydrophobicContact CD1-CB 4.26Å; F481-A486 HydrophobicContact CD2-CB 3.67Å; F481-A486 HydrophobicContact CE1-CB 4.46Å; F481-A486 HydrophobicContact CE2-CB 3.87Å; F481-A486 HydrophobicContact CG-CB 3.87Å; F481-A486 HydrophobicContact CZ-CB 4.26Å; F481-L488 HydrophobicContact CE2-CD2 4.16Å; F481-L488 HydrophobicContact CE2-CG 4.1Å; F481-L488 HydrophobicContact CZ-CD2 4.11Å; F481-L488 HydrophobicContact CZ-CG 4.4Å; F481-R521 WeakPolarHBondContact CA-O 3.44Å; F481-R521 HydrophobicContact CD1-CB 4.42Å; F481-L525 HydrophobicContact CE1-CD2 4.1Å; F481-L525 HydrophobicContact CZ-CD2 4Å
482	T	80.1	Confident	79	Confident	64 Å²	64	52 Å²	52	39%	0.393	28%	0.282	S	S	.	.	S	Bend	trans	-107.8	-28.5	-177.9	60.7	0	0	0	0	113	F476 R521 D522	F476-T482 HydrophobicContact CB-CG2 4.37Å; F476-T482 HydrophobicContact CD1-CG2 3.68Å; F476-T482 HydrophobicContact CE1-CG2 4.16Å; F476-T482 HydrophobicContact CG-CG2 4.07Å; T482-R521 PolarHBondContact N-O 3.32Å; T482-R521 PolarHBondContact OG1-O 3.34Å; T482-D522 WeakPolarHBondContact OG1-CA 3.35Å
483	R	82.9	Confident	80.2	Confident	151 Å²	151	46.9 Å²	46.9	57%	0.57	25%	0.252	S	S	*	.	S	Bend	trans	-113.6	-37.5	-176.7	-170	175.7	-177.2	176.2	0.2	113.5	D522 Y524	R483-D522 VanDerWaalsContact CB-O 3.23Å; R483-D522 WeakPolarHBondContact CB-O 3.46Å; R483-D522 WeakPolarHBondContact CD-O 3.38Å; R483-Y524 HydrophobicContact CG-CE2 4.03Å
484	C	87.6	Confident	81.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-88	125.8	173.2	-151.9	0	0	0	0	108	H450 F481 A486 G523 Y524 S603	H450-C484 PolarHBondContact CD2-O 3.07Å; H450-C484 VanDerWaalsContact CD2-O 3.3Å; F481-C484 WeakPolarHBondContact CB-O 3.33Å; F481-C484 HydrophobicContact CD1-CB 4.16Å; C484-A486 HydrophobicContact CB-CB 3.91Å; C484-A486 PolarHBondContact O-N 2.65Å; C484-G523 WeakPolarHBondContact CB-O 3.29Å; C484-Y524 HydrophobicContact CB-CD1 4.19Å; C484-S603 PolarHBondContact SG-OG 3.41Å
485	V	93.1	Very high	83	Confident	19 Å²	19	47.9 Å²	47.9	12%	0.115	24%	0.244	C	C	.	.			trans	-77.2	78.9	172.3	-176.2	0	0	0	0	107.5	H450 C452 L453 Y464 S603 L604	H450-V485 HydrophobicContact CB-CG1 4.28Å; C452-V485 HydrophobicContact CB-CG1 4.19Å; L453-V485 HydrophobicContact CD1-CG1 4.35Å; L453-V485 HydrophobicContact CD2-CG1 3.68Å; L453-V485 HydrophobicContact CG-CG1 3.68Å; Y464-V485 HydrophobicContact CD1-CG1 4.14Å; Y464-V485 HydrophobicContact CD2-CG1 4.29Å; Y464-V485 HydrophobicContact CE1-CG1 4.39Å; Y464-V485 HydrophobicContact CE1-CG2 4.31Å; Y464-V485 HydrophobicContact CG-CG1 4.13Å; V485-S603 CarbonylContact O-C 3.54Å; V485-S603 WeakPolarHBondContact O-CA 3.09Å; V485-S603 WeakPolarHBondContact O-CB 3.2Å; V485-S603 PolarHBondContact O-OG 3.46Å; V485-L604 WeakPolarHBondContact CB-O 3.4Å; V485-L604 PolarHBondContact O-N 3.13Å
486	A	94.9	Very high	84.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.2	-164.3	0	0	0	0	0	113	H450 F481 C484 L525 F602	H450-A486 PolarHBondContact N-O 2.85Å; F481-A486 HydrophobicContact CB-CB 4.4Å; F481-A486 HydrophobicContact CD1-CB 4.26Å; F481-A486 HydrophobicContact CD2-CB 3.67Å; F481-A486 HydrophobicContact CE1-CB 4.46Å; F481-A486 HydrophobicContact CE2-CB 3.87Å; F481-A486 HydrophobicContact CG-CB 3.87Å; F481-A486 HydrophobicContact CZ-CB 4.26Å; C484-A486 HydrophobicContact CB-CB 3.91Å; C484-A486 PolarHBondContact O-N 2.65Å; A486-L525 HydrophobicContact CB-CD1 3.92Å; A486-L525 HydrophobicContact CB-CG 4.48Å; A486-F602 CarbonylContact C-O 3.6Å; A486-F602 WeakPolarHBondContact CA-O 3.43Å; A486-F602 WeakPolarHBondContact CB-O 3.35Å
487	I	95.4	Very high	85.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.6	177	-168.5	169.2	0	0	0	109.4	L444 L445 A449 L453 I462 F602	L444-I487 HydrophobicContact CB-CD1 3.94Å; L445-I487 WeakPolarHBondContact O-CG1 3.29Å; A449-I487 HydrophobicContact CB-CB 4.31Å; A449-I487 HydrophobicContact CB-CD1 3.65Å; A449-I487 HydrophobicContact CB-CG1 3.86Å; L453-I487 HydrophobicContact CD1-CB 4.03Å; L453-I487 HydrophobicContact CD1-CG2 4.28Å; I462-I487 HydrophobicContact CD1-CG2 4.05Å; I462-I487 HydrophobicContact CG2-CD1 4.43Å; I462-I487 HydrophobicContact CG2-CG2 4.16Å; I487-F602 HydrophobicContact CG2-CB 4.08Å; I487-F602 HydrophobicContact CG2-CD2 4.41Å; I487-F602 PolarHBondContact N-O 3.45Å; I487-F602 PolarHBondContact O-N 2.86Å
488	L	96.1	Very high	87.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.6	170.8	-61.7	-172.2	0	0	0	111.6	L445 T448 F481 A515 H599 P600 C601	L445-L488 WeakPolarHBondContact CB-O 3.49Å; L445-L488 HydrophobicContact CD1-CB 4.39Å; L445-L488 PolarHBondContact N-O 2.79Å; T448-L488 HydrophobicContact CG2-CB 4.24Å; T448-L488 HydrophobicContact CG2-CD1 4.36Å; T448-L488 HydrophobicContact CG2-CG 4.46Å; T448-L488 PolarHBondContact OG1-N 2.85Å; F481-L488 HydrophobicContact CE2-CD2 4.16Å; F481-L488 HydrophobicContact CE2-CG 4.1Å; F481-L488 HydrophobicContact CZ-CD2 4.11Å; F481-L488 HydrophobicContact CZ-CG 4.4Å; L488-A515 HydrophobicContact CD2-CB 4.29Å; L488-H599 HydrophobicContact CB-CB 4.11Å; L488-H599 HydrophobicContact CD1-CB 4.05Å; L488-H599 HydrophobicContact CD2-CB 4.25Å; L488-H599 HydrophobicContact CG-CB 4.37Å; L488-P600 CarbonylContact C-O 3.58Å; L488-P600 WeakPolarHBondContact CA-O 3.49Å; L488-C601 HydrophobicContact CD2-CB 3.51Å
489	G	95	Very high	88.6	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	173.8	162.2	0	0	0	0	0	111.8	Y443 L445 H599 P600	Y443-G489 CarbonylContact O-C 3.46Å; Y443-G489 WeakPolarHBondContact O-CA 3.22Å; L445-G489 VanDerWaalsContact CD1-O 3.29Å; L445-G489 WeakPolarHBondContact CD1-O 3.44Å; G489-H599 PolarHBondContact O-ND1 3.05Å; G489-P600 PolarHBondContact N-O 2.88Å
490	D	92.9	Very high	89.7	Confident	14 Å²	14	27.9 Å²	27.9	8%	0.075	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-53.7	148.7	173.2	-71	-46.1	0	0	0	111.3	F442 Y443 L445 I492 P600	F442-D490 HydrophobicContact CB-CB 3.96Å; Y443-D490 PolarHBondContact N-OD2 2.95Å; Y443-D490 PolarHBondContact O-N 2.8Å; L445-D490 WeakPolarHBondContact CD2-OD1 3.22Å; D490-I492 PolarHBondContact O-N 2.69Å; D490-P600 VanDerWaalsContact O-CD 3.26Å; D490-P600 WeakPolarHBondContact O-CD 3.26Å
491	L	92.3	Very high	90.5	Very high	42 Å²	42	28.5 Å²	28.5	22%	0.22	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-58.4	128.7	171.9	-171.5	73.6	0	0	0	109	P493 H599	L491-P493 WeakPolarHBondContact O-CD 3.27Å; L491-H599 VanDerWaalsContact CD1-NE2 3.29Å; L491-H599 WeakPolarHBondContact CD1-NE2 3.25Å; L491-H599 PolarHBondContact N-CE1 2.7Å; L491-H599 PolarHBondContact N-ND1 2.79Å
492	I	91.3	Very high	91.2	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-79.8	101.9	170	-62.7	174	0	0	0	107	T440 D490 V494 H498 W500 L569 Y571 Y597 V598 P600	T440-I492 HydrophobicContact CG2-CD1 4.49Å; D490-I492 PolarHBondContact O-N 2.69Å; I492-V494 VanDerWaalsContact C-N 3.29Å; I492-V494 PolarHBondContact O-N 3.32Å; I492-H498 HydrophobicContact CD1-CB 4.37Å; I492-H498 WeakPolarHBondContact CG2-CE1 3.44Å; I492-H498 WeakPolarHBondContact CG2-NE2 3.39Å; I492-W500 HydrophobicContact CD1-CH2 4.11Å; I492-W500 HydrophobicContact CD1-CZ3 3.79Å; I492-L569 HydrophobicContact CD1-CD2 4.07Å; I492-Y571 HydrophobicContact CG2-CE2 4.12Å; I492-Y597 WeakPolarHBondContact O-CB 3.41Å; I492-Y597 WeakPolarHBondContact O-CD1 3.47Å; I492-V598 PolarHBondContact N-O 3.05Å; I492-P600 HydrophobicContact CD1-CG 3.93Å; I492-P600 HydrophobicContact CG1-CG 4.31Å
493	P	78.7	Confident	92	Very high	23 Å²	23	28.8 Å²	28.8	15%	0.149	13%	0.125	C	C	.	.			trans	-91.4	6.5	-164.3	34.6	-25.6	0	0	0	112.7	L362 L491 Y597	L362-P493 HydrophobicContact CB-CG 3.97Å; L362-P493 HydrophobicContact CD2-CB 3.9Å; L362-P493 HydrophobicContact CD2-CG 3.6Å; L362-P493 HydrophobicContact CG-CG 4.45Å; L491-P493 WeakPolarHBondContact O-CD 3.27Å; P493-Y597 VanDerWaalsContact C-CE1 3.44Å; P493-Y597 VanDerWaalsContact O-CE1 3.27Å; P493-Y597 WeakPolarHBondContact O-CE1 3.22Å
494	V	85.2	Confident	92.4	Very high	20 Å²	20	21.7 Å²	21.7	12%	0.121	10%	0.099	C	C	.	.	S	Bend	trans	-119.7	130.4	-172.8	179.2	0	0	0	0	108.5	A360 L405 I492 G496 H498 Y571	A360-V494 HydrophobicContact CB-CG1 4.27Å; A360-V494 HydrophobicContact CB-CG2 3.72Å; L405-V494 HydrophobicContact CD1-CG2 3.73Å; L405-V494 HydrophobicContact CD2-CG2 4.49Å; I492-V494 VanDerWaalsContact C-N 3.29Å; I492-V494 PolarHBondContact O-N 3.32Å; V494-G496 VanDerWaalsContact C-N 3.33Å; V494-G496 PolarHBondContact O-N 3.08Å; V494-G496 VanDerWaalsContact O-N 3.09Å; V494-H498 PolarHBondContact O-NE2 2.47Å; V494-Y571 WeakPolarHBondContact O-CD2 3.24Å; V494-Y571 WeakPolarHBondContact O-CE2 3.48Å
495	R	86.8	Confident	92.3	Very high	112 Å²	112	26.2 Å²	26.2	42%	0.423	12%	0.123	S	C	.	.	S	Bend	trans	-82.2	82.4	173.2	-67.4	-168.5	176.9	-112.1	-3	109.2	Y571 F594 H595 Y597	R495-Y571 HydrophobicContact CB-CG 4.25Å; R495-Y571 HydrophobicContact CG-CD1 4.4Å; R495-Y571 HydrophobicContact CG-CG 4.36Å; R495-F594 PolarHBondContact NH1-O 3.5Å; R495-F594 VanDerWaalsContact NH1-O 3.13Å; R495-H595 PolarHBondContact NH2-O 2.82Å; R495-Y597 HydrophobicContact CG-CD1 4.48Å; R495-Y597 HydrophobicContact CG-CE1 3.6Å
496	G	88.4	Confident	91.9	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-143.9	-151.4	177	0	0	0	0	0	112.6	V494 H498 Y571	V494-G496 VanDerWaalsContact C-N 3.33Å; V494-G496 PolarHBondContact O-N 3.08Å; V494-G496 VanDerWaalsContact O-N 3.09Å; G496-H498 PolarHBondContact O-CD2 3.06Å; G496-Y571 PolarHBondContact O-N 3.42Å; G496-Y571 VanDerWaalsContact O-N 3.14Å
497	R	91.6	Very high	91.5	Very high	114 Å²	114	34.6 Å²	34.6	43%	0.43	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.6	175.6	-68.9	-179.6	-174.4	153.4	15.4	110.7	L569 D570 F623	R497-L569 CarbonylContact C-O 3.57Å; R497-L569 WeakPolarHBondContact CA-O 3.35Å; R497-D570 HydrophobicContact CG-CB 4.46Å; R497-D570 IonicContact NE-OD2 3.19Å; R497-D570 PolarHBondContact NE-OD2 3.22Å; R497-F623 HydrophobicContact CB-CD1 4.33Å; R497-F623 HydrophobicContact CB-CE1 3.85Å; R497-F623 HydrophobicContact CB-CE2 4.12Å; R497-F623 HydrophobicContact CB-CZ 3.75Å; R497-F623 HydrophobicContact CG-CD1 4.01Å; R497-F623 HydrophobicContact CG-CE1 3.94Å; R497-F623 HydrophobicContact CG-CG 4.46Å; R497-F623 HydrophobicContact CG-CZ 4.32Å
498	H	94.2	Very high	91.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.1	-177.1	-54.8	-79.9	0	0	0	110.9	T440 I492 V494 G496 W500 A568 L569 Y571	T440-H498 HydrophobicContact CG2-CB 4.08Å; T440-H498 WeakPolarHBondContact OG1-CA 3.45Å; T440-H498 WeakPolarHBondContact OG1-CB 3.39Å; T440-H498 PolarHBondContact OG1-ND1 3.46Å; I492-H498 HydrophobicContact CD1-CB 4.37Å; I492-H498 WeakPolarHBondContact CG2-CE1 3.44Å; I492-H498 WeakPolarHBondContact CG2-NE2 3.39Å; V494-H498 PolarHBondContact O-NE2 2.47Å; G496-H498 PolarHBondContact O-CD2 3.06Å; H498-W500 HydrophobicContact CB-CZ3 4.11Å; H498-A568 CarbonylContact O-C 3.53Å; H498-A568 WeakPolarHBondContact O-CA 3.36Å; H498-L569 HydrophobicContact CB-CB 4.26Å; H498-L569 PolarHBondContact N-O 3.25Å; H498-L569 PolarHBondContact O-N 2.95Å; H498-Y571 AromaticContact CD2-CD2 3.93Å; H498-Y571 AromaticContact CD2-CE2 3.99Å; H498-Y571 AromaticContact NE2-CD2 3.98Å
499	Y	95.5	Very high	91.2	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.7	178.1	-177.8	-102.2	0	0	0	110.4	E501 G566 V567 A568 I616 A618 P619 T622	Y499-E501 HydrophobicContact CE1-CG 3.65Å; Y499-E501 WeakPolarHBondContact CE1-OE1 3.35Å; Y499-E501 WeakPolarHBondContact OH-CG 3.33Å; Y499-E501 PolarHBondContact OH-OE1 3.35Å; Y499-G566 WeakPolarHBondContact OH-CA 3.39Å; Y499-V567 WeakPolarHBondContact CA-O 3.44Å; Y499-V567 WeakPolarHBondContact CD2-O 3.42Å; Y499-A568 HydrophobicContact CD2-CB 4.04Å; Y499-I616 HydrophobicContact CD1-CD1 4.15Å; Y499-I616 HydrophobicContact CD1-CG1 4.19Å; Y499-I616 HydrophobicContact CE1-CD1 3.82Å; Y499-I616 HydrophobicContact CE1-CG1 4.36Å; Y499-A618 HydrophobicContact CD1-CB 4.27Å; Y499-A618 HydrophobicContact CG-CB 4.01Å; Y499-P619 HydrophobicContact CE1-CG 4.05Å; Y499-T622 HydrophobicContact CD2-CG2 3.91Å; Y499-T622 HydrophobicContact CE2-CG2 3.6Å
500	W	97	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.1	168.2	61.8	95.9	0	0	0	109.1	F442 I492 H498 V514 V567 L569 P600 F602 N614	F442-W500 HydrophobicContact CE1-CB 4Å; F442-W500 AromaticContact CE1-CD2 3.95Å; F442-W500 HydrophobicContact CE1-CD2 3.95Å; F442-W500 HydrophobicContact CE1-CE3 4.17Å; F442-W500 AromaticContact CE1-CG 3.89Å; F442-W500 HydrophobicContact CE1-CG 3.89Å; F442-W500 HydrophobicContact CZ-CB 4.29Å; F442-W500 HydrophobicContact CZ-CD2 4.16Å; F442-W500 AromaticContact CZ-CG 3.92Å; F442-W500 HydrophobicContact CZ-CG 3.92Å; I492-W500 HydrophobicContact CD1-CH2 4.11Å; I492-W500 HydrophobicContact CD1-CZ3 3.79Å; H498-W500 HydrophobicContact CB-CZ3 4.11Å; W500-V514 HydrophobicContact CH2-CG1 3.63Å; W500-V514 HydrophobicContact CZ2-CG1 3.84Å; W500-V567 HydrophobicContact CD2-CB 4.14Å; W500-V567 HydrophobicContact CH2-CG1 3.88Å; W500-V567 HydrophobicContact CZ2-CB 3.88Å; W500-V567 HydrophobicContact CZ2-CG1 3.4Å; W500-V567 VanDerWaalsContact CZ2-CG1 3.4Å; W500-V567 PolarHBondContact N-O 2.69Å; W500-V567 VanDerWaalsContact N-O 3.16Å; W500-V567 PolarHBondContact O-N 3.22Å; W500-L569 HydrophobicContact CH2-CB 4.39Å; W500-L569 HydrophobicContact CZ3-CB 4.3Å; W500-P600 HydrophobicContact CH2-CG 4.3Å; W500-P600 HydrophobicContact CZ2-CB 3.97Å; W500-P600 HydrophobicContact CZ2-CG 4.17Å; W500-F602 AromaticContact NE1-CE1 3.92Å; W500-F602 AromaticContact NE1-CZ 3.84Å; W500-N614 HydrophobicContact CB-CB 4.08Å
501	E	97.6	Very high	91.4	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.3	177.8	-75.6	173.9	-177.2	0	0	110.9	Y499 R564 I565 A581 H613 I616	Y499-E501 HydrophobicContact CE1-CG 3.65Å; Y499-E501 WeakPolarHBondContact CE1-OE1 3.35Å; Y499-E501 WeakPolarHBondContact OH-CG 3.33Å; Y499-E501 PolarHBondContact OH-OE1 3.35Å; E501-R564 HydrophobicContact CB-CG 4.12Å; E501-R564 HydrophobicContact CG-CG 4.36Å; E501-R564 VanDerWaalsContact OE2-CD 3.25Å; E501-R564 WeakPolarHBondContact OE2-CD 3.31Å; E501-R564 IonicContact OE2-CZ 2.62Å; E501-R564 IonicContact OE2-NE 3.7Å; E501-R564 IonicContact OE2-NH1 3.2Å; E501-R564 PolarHBondContact OE2-NH1 3.36Å; E501-I565 CarbonylContact C-O 3.55Å; E501-I565 WeakPolarHBondContact CA-O 3.42Å; E501-A581 HydrophobicContact CG-CB 4.46Å; E501-H613 HydrophobicContact CB-CB 4.06Å; E501-H613 PolarHBondContact N-O 3.3Å; E501-H613 PolarHBondContact O-N 2.91Å; E501-I616 HydrophobicContact CB-CD1 4.06Å; E501-I616 HydrophobicContact CG-CD1 3.8Å
502	V	97.9	Very high	91.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.4	177.5	-171.2	0	0	0	0	108.4	V504 V512 R564 I565 F602 L610 T611	V502-V504 HydrophobicContact CG1-CG1 4.11Å; V502-V512 HydrophobicContact CB-CG1 4.26Å; V502-V512 HydrophobicContact CG1-CG1 3.85Å; V502-V512 HydrophobicContact CG2-CG1 4.21Å; V502-R564 CarbonylContact O-C 3.53Å; V502-R564 WeakPolarHBondContact O-CA 3.37Å; V502-I565 PolarHBondContact N-O 3.27Å; V502-I565 PolarHBondContact O-N 3.05Å; V502-F602 HydrophobicContact CG2-CD1 4.27Å; V502-F602 HydrophobicContact CG2-CE1 3.66Å; V502-L610 HydrophobicContact CG1-CD1 3.65Å; V502-L610 HydrophobicContact CG1-CD2 3.4Å; V502-L610 VanDerWaalsContact CG1-CD2 3.4Å; V502-L610 HydrophobicContact CG1-CG 3.37Å; V502-T611 WeakPolarHBondContact CA-O 3.48Å
503	E	96.8	Very high	92	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.6	175.1	-177	167.6	-159.9	0	0	109.7	R564 T611 H613	E503-R564 IonicContact OE1-NH2 3.85Å; E503-R564 IonicContact OE2-CZ 2.86Å; E503-R564 IonicContact OE2-NH2 2.67Å; E503-R564 PolarHBondContact OE2-NH2 2.96Å; E503-T611 PolarHBondContact N-O 3.15Å; E503-T611 PolarHBondContact O-N 3.14Å; E503-H613 IonicContact OE2-CD2 3.83Å; E503-H613 IonicContact OE2-CE1 3.13Å; E503-H613 IonicContact OE2-NE2 3.63Å; E503-H613 PolarHBondContact OE2-NE2 3.42Å
504	V	91.2	Very high	92.9	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.3	-171.6	-70.4	0	0	0	0	110.1	V502 F510 V563 I565 L610	V502-V504 HydrophobicContact CG1-CG1 4.11Å; V504-F510 HydrophobicContact CB-CD1 3.93Å; V504-F510 HydrophobicContact CB-CE1 3.75Å; V504-F510 HydrophobicContact CB-CZ 4.41Å; V504-F510 HydrophobicContact CG1-CD1 3.69Å; V504-F510 HydrophobicContact CG1-CD2 4.45Å; V504-F510 HydrophobicContact CG1-CE1 3.8Å; V504-F510 HydrophobicContact CG1-CG 4.04Å; V504-F510 HydrophobicContact CG1-CZ 4.23Å; V504-F510 HydrophobicContact CG2-CD1 4.21Å; V504-F510 HydrophobicContact CG2-CE1 3.5Å; V504-F510 VanDerWaalsContact CG2-CE1 3.5Å; V504-F510 HydrophobicContact CG2-CZ 3.84Å; V504-V563 PolarHBondContact N-O 2.91Å; V504-V563 VanDerWaalsContact N-O 3.16Å; V504-I565 HydrophobicContact CG2-CD1 4.5Å; V504-L610 HydrophobicContact CG1-CB 4.3Å; V504-L610 HydrophobicContact CG1-CD1 3.85Å; V504-L610 HydrophobicContact CG1-CG 3.88Å
505	D	86.1	Confident	93.5	Very high	95 Å²	95	31.8 Å²	31.8	51%	0.508	15%	0.145	S	C	.	.			trans	-75.8	153.8	174.1	-65.9	-36.1	0	0	0	111.5	E507 T508	D505-E507 PolarHBondContact O-N 2.85Å; D505-E507 VanDerWaalsContact O-N 3.16Å; D505-T508 WeakPolarHBondContact O-CB 3.28Å; D505-T508 PolarHBondContact O-N 3.19Å; D505-T508 VanDerWaalsContact O-N 3.1Å
506	D	84.1	Confident	93.9	Very high	75 Å²	75	27.4 Å²	27.4	40%	0.401	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.7	-175.6	-177.2	61.3	0	0	0	113.5	R538 H543	D506-R538 IonicContact OD2-NH2 3.29Å; D506-R538 PolarHBondContact OD2-NH2 2.99Å; D506-R538 VanDerWaalsContact OD2-NH2 3.14Å; D506-H543 IonicContact OD1-CE1 3.12Å; D506-H543 PolarHBondContact OD1-CE1 2.79Å; D506-H543 IonicContact OD1-NE2 3.79Å
507	E	86.6	Confident	94.1	Very high	119 Å²	119	33.6 Å²	33.6	56%	0.556	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.4	-176.4	-47.4	-149.2	129.7	0	0	113.1	D505 R538 N606	D505-E507 PolarHBondContact O-N 2.85Å; D505-E507 VanDerWaalsContact O-N 3.16Å; E507-R538 IonicContact OE1-CZ 3.93Å; E507-R538 IonicContact OE1-NH1 3.11Å; E507-R538 PolarHBondContact OE1-NH1 3.15Å; E507-R538 IonicContact OE1-NH2 3.8Å; E507-R538 PolarHBondContact OE1-NH2 2.84Å; E507-N606 PolarHBondContact O-ND2 3.01Å
508	T	91.3	Very high	94.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.166	C	C	.	.			trans	-82.2	125.2	-173.8	-60.6	0	0	0	0	111.4	D505 F510 H536 L604 N606	D505-T508 WeakPolarHBondContact O-CB 3.28Å; D505-T508 PolarHBondContact O-N 3.19Å; D505-T508 VanDerWaalsContact O-N 3.1Å; T508-F510 HydrophobicContact CG2-CB 4.42Å; T508-F510 HydrophobicContact CG2-CD1 4.35Å; T508-F510 VanDerWaalsContact O-CD1 3.29Å; T508-F510 WeakPolarHBondContact O-CD1 3.36Å; T508-H536 PolarHBondContact O-CE1 3.44Å; T508-H536 PolarHBondContact O-ND1 3.13Å; T508-L604 HydrophobicContact CG2-CD2 3.41Å; T508-L604 VanDerWaalsContact CG2-CD2 3.41Å; T508-N606 WeakPolarHBondContact CA-OD1 3.4Å
509	E	94.6	Very high	94	Very high	38 Å²	38	33.8 Å²	33.8	18%	0.178	17%	0.167	C	C	.	.			trans	-91.1	126.9	168.4	-60.5	-168.4	162.3	0	0	108.5	H536 I537 R538 L604 D605 N606	E509-H536 WeakPolarHBondContact CA-O 3.4Å; E509-I537 WeakPolarHBondContact OE1-CG2 3.2Å; E509-R538 HydrophobicContact CG-CB 4.35Å; E509-R538 PolarHBondContact OE1-N 2.88Å; E509-L604 CarbonylContact O-C 3.45Å; E509-D605 HydrophobicContact CB-CB 3.81Å; E509-D605 PolarHBondContact O-N 2.79Å; E509-N606 HydrophobicContact CB-CB 4.31Å; E509-N606 HydrophobicContact CG-CB 4.46Å; E509-N606 PolarHBondContact N-OD1 3.05Å
510	F	95.9	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	166.9	-169.7	60.4	-98.1	0	0	0	112.5	V504 T508 V512 R535 H536 I565 S603 L604 L610	V504-F510 HydrophobicContact CB-CD1 3.93Å; V504-F510 HydrophobicContact CB-CE1 3.75Å; V504-F510 HydrophobicContact CB-CZ 4.41Å; V504-F510 HydrophobicContact CG1-CD1 3.69Å; V504-F510 HydrophobicContact CG1-CD2 4.45Å; V504-F510 HydrophobicContact CG1-CE1 3.8Å; V504-F510 HydrophobicContact CG1-CG 4.04Å; V504-F510 HydrophobicContact CG1-CZ 4.23Å; V504-F510 HydrophobicContact CG2-CD1 4.21Å; V504-F510 HydrophobicContact CG2-CE1 3.5Å; V504-F510 VanDerWaalsContact CG2-CE1 3.5Å; V504-F510 HydrophobicContact CG2-CZ 3.84Å; T508-F510 HydrophobicContact CG2-CB 4.42Å; T508-F510 HydrophobicContact CG2-CD1 4.35Å; T508-F510 VanDerWaalsContact O-CD1 3.29Å; T508-F510 WeakPolarHBondContact O-CD1 3.36Å; F510-V512 HydrophobicContact CD2-CG1 3.77Å; F510-V512 HydrophobicContact CD2-CG2 4.31Å; F510-V512 HydrophobicContact CE2-CG1 4.22Å; F510-V512 HydrophobicContact CE2-CG2 4.12Å; F510-R535 CarbonylContact O-C 3.58Å; F510-R535 WeakPolarHBondContact O-CA 3.36Å; F510-H536 HydrophobicContact CD1-CB 3.92Å; F510-H536 AromaticContact CD1-ND1 3.9Å; F510-H536 HydrophobicContact CD2-CB 4.16Å; F510-H536 HydrophobicContact CE1-CB 3.47Å; F510-H536 VanDerWaalsContact CE1-CB 3.47Å; F510-H536 AromaticContact CE1-CG 3.68Å; F510-H536 AromaticContact CE1-ND1 3.48Å; F510-H536 WeakPolarHBondContact CE1-ND1 3.25Å; F510-H536 HydrophobicContact CE2-CB 3.77Å; F510-H536 HydrophobicContact CG-CB 4.23Å; F510-H536 HydrophobicContact CZ-CB 3.38Å; F510-H536 AromaticContact CZ-CG 3.95Å; F510-H536 PolarHBondContact N-O 3.17Å; F510-H536 PolarHBondContact O-N 3.2Å; F510-I565 HydrophobicContact CE2-CD1 3.39Å; F510-I565 HydrophobicContact CZ-CD1 3.38Å; F510-S603 CarbonylContact C-O 3.6Å; F510-S603 WeakPolarHBondContact CA-O 3.31Å; F510-S603 WeakPolarHBondContact CB-O 3.33Å; F510-L604 HydrophobicContact CB-CD2 4.28Å; F510-L610 HydrophobicContact CB-CD1 4.16Å
511	R	96.8	Very high	93.4	Very high	9 Å²	9	40.4 Å²	40.4	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	165.6	-53.7	169.8	-175.5	-111	-0.1	109.2	L525 C533 M534 R535 F602 S603 D605	R511-L525 PolarHBondContact NH1-O 3.44Å; R511-C533 HydrophobicContact CB-CB 4.44Å; R511-M534 CarbonylContact C-O 3.57Å; R511-M534 VanDerWaalsContact CA-O 3.26Å; R511-M534 WeakPolarHBondContact CA-O 3.36Å; R511-R535 HydrophobicContact CG-CB 4.14Å; R511-R535 HydrophobicContact CG-CG 3.97Å; R511-F602 CarbonylContact O-C 3.53Å; R511-F602 WeakPolarHBondContact O-CA 3.42Å; R511-S603 PolarHBondContact N-O 2.91Å; R511-S603 PolarHBondContact O-N 2.85Å; R511-D605 IonicContact CZ-OD1 3.44Å; R511-D605 IonicContact CZ-OD2 3.96Å; R511-D605 IonicContact NE-OD1 2.74Å; R511-D605 PolarHBondContact NE-OD1 3.24Å; R511-D605 VanDerWaalsContact NE-OD1 3.13Å; R511-D605 IonicContact NE-OD2 3.13Å; R511-D605 PolarHBondContact NE-OD2 3.44Å; R511-D605 IonicContact NH2-OD1 3.24Å; R511-D605 IonicContact NH2-OD2 3.82Å; R511-D605 PolarHBondContact NH2-OD2 2.94Å
512	V	97.9	Very high	92.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.9	178	-63.9	0	0	0	0	109.8	V502 F510 C533 M534 I565 F578 F602 L610	V502-V512 HydrophobicContact CB-CG1 4.26Å; V502-V512 HydrophobicContact CG1-CG1 3.85Å; V502-V512 HydrophobicContact CG2-CG1 4.21Å; F510-V512 HydrophobicContact CD2-CG1 3.77Å; F510-V512 HydrophobicContact CD2-CG2 4.31Å; F510-V512 HydrophobicContact CE2-CG1 4.22Å; F510-V512 HydrophobicContact CE2-CG2 4.12Å; V512-C533 CarbonylContact O-C 3.54Å; V512-C533 VanDerWaalsContact O-CA 3.25Å; V512-C533 WeakPolarHBondContact O-CA 3.5Å; V512-C533 WeakPolarHBondContact O-CB 3.39Å; V512-M534 HydrophobicContact CG2-CB 3.96Å; V512-M534 PolarHBondContact N-O 3.45Å; V512-M534 PolarHBondContact O-N 3.44Å; V512-I565 HydrophobicContact CG2-CD1 4.26Å; V512-I565 HydrophobicContact CG2-CG2 4.22Å; V512-F578 HydrophobicContact CG2-CE1 4.24Å; V512-F578 WeakPolarHBondContact O-CE1 3.26Å; V512-F602 HydrophobicContact CG1-CD1 4.18Å; V512-L610 HydrophobicContact CG1-CD1 3.86Å
513	G	97.8	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-147.8	-178.6	0	0	0	0	0	114.1	W532 C601	G513-W532 CarbonylContact C-O 3.52Å; G513-W532 VanDerWaalsContact CA-O 3.25Å; G513-W532 WeakPolarHBondContact CA-O 3.42Å; G513-C601 PolarHBondContact N-O 2.91Å; G513-C601 PolarHBondContact O-N 2.82Å
514	V	97.9	Very high	92.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.6	175.8	-54.7	0	0	0	0	111.4	W500 S531 W532 L576 F594 V598 H599 C601	W500-V514 HydrophobicContact CH2-CG1 3.63Å; W500-V514 HydrophobicContact CZ2-CG1 3.84Å; V514-S531 WeakPolarHBondContact O-CA 3.25Å; V514-W532 HydrophobicContact CG2-CB 4.4Å; V514-W532 HydrophobicContact CG2-CE3 4.07Å; V514-W532 PolarHBondContact N-O 2.85Å; V514-W532 PolarHBondContact O-N 2.93Å; V514-L576 HydrophobicContact CG1-CD1 3.95Å; V514-L576 HydrophobicContact CG1-CD2 4.44Å; V514-L576 HydrophobicContact CG2-CD1 4.34Å; V514-L576 HydrophobicContact CG2-CD2 3.64Å; V514-F594 HydrophobicContact CG2-CE1 4.18Å; V514-V598 HydrophobicContact CB-CB 3.95Å; V514-V598 HydrophobicContact CB-CG2 3.67Å; V514-V598 HydrophobicContact CG1-CG2 3.86Å; V514-V598 HydrophobicContact CG2-CB 4.22Å; V514-V598 HydrophobicContact CG2-CG1 4.31Å; V514-V598 HydrophobicContact CG2-CG2 4.07Å; V514-H599 CarbonylContact C-O 3.27Å; V514-H599 WeakPolarHBondContact CA-O 3.49Å; V514-C601 VanDerWaalsContact C-SG 3.58Å; V514-C601 PolarHBondContact N-SG 2.85Å; V514-C601 VanDerWaalsContact N-SG 3.42Å
515	A	96.9	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.9	178.9	0	0	0	0	0	110.9	L488 T519 L525 S530 V598 H599 C601	L488-A515 HydrophobicContact CD2-CB 4.29Å; A515-T519 HydrophobicContact CB-CG2 4.4Å; A515-L525 HydrophobicContact CB-CD2 4.36Å; A515-S530 CarbonylContact C-O 3.56Å; A515-S530 WeakPolarHBondContact CA-O 3.32Å; A515-V598 CarbonylContact O-C 3.5Å; A515-V598 WeakPolarHBondContact O-CA 3.04Å; A515-H599 PolarHBondContact N-O 2.96Å; A515-H599 PolarHBondContact O-N 3.38Å; A515-C601 HydrophobicContact CB-CB 4.08Å
516	Y	95.8	Very high	92.8	Very high	20 Å²	20	40.9 Å²	40.9	8%	0.078	20%	0.199	C	C	.	.			trans	-74.2	157.9	165.9	-64.3	-39.1	0	0	0	111	D518 T519 S530 W532 F594 H595 N596 V598	Y516-D518 WeakPolarHBondContact CB-OD1 3.41Å; Y516-D518 PolarHBondContact O-N 2.82Å; Y516-T519 PolarHBondContact N-OG1 3.48Å; Y516-T519 VanDerWaalsContact O-CB 3.27Å; Y516-T519 WeakPolarHBondContact O-CB 3.18Å; Y516-T519 PolarHBondContact O-N 2.87Å; Y516-T519 PolarHBondContact O-OG1 2.8Å; Y516-S530 PolarHBondContact N-O 3.16Å; Y516-W532 HydrophobicContact CD1-CZ3 4.44Å; Y516-W532 HydrophobicContact CD2-CH2 4.18Å; Y516-W532 HydrophobicContact CD2-CZ3 4.26Å; Y516-W532 HydrophobicContact CE1-CH2 4.26Å; Y516-W532 HydrophobicContact CE1-CZ3 4.16Å; Y516-W532 AromaticContact CE2-CH2 3.52Å; Y516-W532 HydrophobicContact CE2-CH2 3.52Å; Y516-W532 AromaticContact CE2-CZ3 3.98Å; Y516-W532 HydrophobicContact CE2-CZ3 3.98Å; Y516-W532 HydrophobicContact CG-CZ3 4.47Å; Y516-W532 AromaticContact CZ-CH2 3.56Å; Y516-W532 AromaticContact CZ-CZ3 3.92Å; Y516-F594 HydrophobicContact CE1-CD1 4.23Å; Y516-F594 WeakPolarHBondContact OH-CA 3.47Å; Y516-H595 PolarHBondContact OH-N 2.98Å; Y516-N596 HydrophobicContact CD1-CB 3.82Å; Y516-N596 HydrophobicContact CE1-CB 3.86Å; Y516-N596 WeakPolarHBondContact CE1-O 3.48Å; Y516-N596 HydrophobicContact CG-CB 4.39Å; Y516-V598 HydrophobicContact CD1-CG1 3.8Å; Y516-V598 HydrophobicContact CE1-CG1 3.72Å
517	E	92.8	Very high	93.3	Very high	132 Å²	132	40 Å²	40	62%	0.617	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.6	178.4	-173.7	167.6	-158	0	0	112.6	T519	E517-T519 PolarHBondContact O-N 2.86Å
518	D	91.1	Very high	93.6	Very high	116 Å²	116	35 Å²	35	62%	0.62	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	14.9	-179.6	66.3	-21	0	0	0	114.2	Y516 E520	Y516-D518 WeakPolarHBondContact CB-OD1 3.41Å; Y516-D518 PolarHBondContact O-N 2.82Å; D518-E520 PolarHBondContact O-N 2.86Å
519	T	92.1	Very high	93.7	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.025	20%	0.196	C	C	.	.			trans	-65.1	130.9	180	-65.5	0	0	0	0	112	A515 Y516 E517 R521 L525 S530	A515-T519 HydrophobicContact CB-CG2 4.4Å; Y516-T519 PolarHBondContact N-OG1 3.48Å; Y516-T519 VanDerWaalsContact O-CB 3.27Å; Y516-T519 WeakPolarHBondContact O-CB 3.18Å; Y516-T519 PolarHBondContact O-N 2.87Å; Y516-T519 PolarHBondContact O-OG1 2.8Å; E517-T519 PolarHBondContact O-N 2.86Å; T519-R521 PolarHBondContact O-N 3.08Å; T519-L525 HydrophobicContact CG2-CD2 4.37Å; T519-S530 VanDerWaalsContact CA-OG 3.29Å; T519-S530 WeakPolarHBondContact CA-OG 3.3Å; T519-S530 WeakPolarHBondContact CB-OG 3.43Å; T519-S530 WeakPolarHBondContact CG2-OG 3.36Å; T519-S530 WeakPolarHBondContact OG1-CB 3.29Å; T519-S530 PolarHBondContact OG1-O 2.84Å; T519-S530 PolarHBondContact OG1-OG 2.77Å
520	E	89.9	Confident	93.7	Very high	113 Å²	113	35.6 Å²	35.6	53%	0.528	19%	0.193	S	C	.	.			trans	-50.6	124	176.9	-66.6	173.4	173.5	0	0	111.9	D518	D518-E520 PolarHBondContact O-N 2.86Å
521	R	89.9	Confident	93.7	Very high	29 Å²	29	35.6 Å²	35.6	11%	0.109	19%	0.193	C	C	.	.	S	Bend	trans	-86.2	-14.3	-177.6	-58.2	-60.3	-174.1	-174.4	-3	113.7	N479 T480 F481 T482 T519	N479-R521 PolarHBondContact O-NE 2.94Å; N479-R521 PolarHBondContact OD1-NE 3.46Å; N479-R521 PolarHBondContact OD1-NH2 3.26Å; T480-R521 WeakPolarHBondContact O-CB 3.24Å; F481-R521 WeakPolarHBondContact CA-O 3.44Å; F481-R521 HydrophobicContact CD1-CB 4.42Å; T482-R521 PolarHBondContact N-O 3.32Å; T482-R521 PolarHBondContact OG1-O 3.34Å; T519-R521 PolarHBondContact O-N 3.08Å
522	D	87.1	Confident	93.8	Very high	102 Å²	102	35.4 Å²	35.4	55%	0.545	19%	0.193	S	C	.	.	S	Bend	trans	-95.3	-3.4	179	69.3	-19.9	0	0	0	114	T482 R483	T482-D522 WeakPolarHBondContact OG1-CA 3.35Å; R483-D522 VanDerWaalsContact CB-O 3.23Å; R483-D522 WeakPolarHBondContact CB-O 3.46Å; R483-D522 WeakPolarHBondContact CD-O 3.38Å
523	G	88.6	Confident	93.7	Very high	12 Å²	12	35.4 Å²	35.4	12%	0.124	19%	0.193	C	C	.	.	S	Bend	trans	-102.2	179.4	175.4	0	0	0	0	0	113.6	C484	C484-G523 WeakPolarHBondContact CB-O 3.29Å
524	Y	92.8	Very high	93.7	Very high	86 Å²	86	35.4 Å²	35.4	34%	0.337	19%	0.193	S	C	.	.			trans	-93.6	143.4	168.9	-70.7	-78.9	0	0	0	110.6	R483 C484 G526 A527	R483-Y524 HydrophobicContact CG-CE2 4.03Å; C484-Y524 HydrophobicContact CB-CD1 4.19Å; Y524-G526 PolarHBondContact O-N 2.9Å; Y524-A527 WeakPolarHBondContact O-CB 3.36Å; Y524-A527 PolarHBondContact O-N 2.76Å
525	L	94.8	Very high	93.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.7	171.7	-66.6	172.4	0	0	0	111	F481 A486 R511 A515 T519 A527 C533 C601	F481-L525 HydrophobicContact CE1-CD2 4.1Å; F481-L525 HydrophobicContact CZ-CD2 4Å; A486-L525 HydrophobicContact CB-CD1 3.92Å; A486-L525 HydrophobicContact CB-CG 4.48Å; R511-L525 PolarHBondContact NH1-O 3.44Å; A515-L525 HydrophobicContact CB-CD2 4.36Å; T519-L525 HydrophobicContact CG2-CD2 4.37Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-C533 VanDerWaalsContact C-SG 3.52Å; L525-C533 PolarHBondContact O-SG 3.49Å; L525-C601 HydrophobicContact CD1-CB 3.89Å; L525-C601 HydrophobicContact CD2-CB 4.19Å
526	G	94.4	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-8	-176.7	0	0	0	0	0	115	Y524 S531 H549 N550 G551	Y524-G526 PolarHBondContact O-N 2.9Å; G526-S531 WeakPolarHBondContact CA-OG 3.39Å; G526-S531 PolarHBondContact N-OG 2.84Å; G526-H549 CarbonylContact O-C 3.48Å; G526-H549 WeakPolarHBondContact O-CA 3.48Å; G526-H549 PolarHBondContact O-N 2.97Å; G526-N550 PolarHBondContact O-N 3.28Å; G526-G551 PolarHBondContact O-N 2.82Å
527	A	93.9	Very high	93.4	Very high	56 Å²	56	38.6 Å²	38.6	46%	0.463	21%	0.206	S	C	.	.	S	Bend	trans	-81.5	-17.3	178.1	0	0	0	0	0	113.5	Y524 L525 G551	Y524-A527 WeakPolarHBondContact O-CB 3.36Å; Y524-A527 PolarHBondContact O-N 2.76Å; L525-A527 VanDerWaalsContact C-N 3.33Å; A527-G551 PolarHBondContact O-N 3.42Å
528	N	92.6	Very high	93.2	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.07	19%	0.194	C	C	.	.	S	Bend	trans	-115.1	179.2	-178.5	58.5	37.5	0	0	0	111.9	S530 S531 N550	N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact OD1-N 2.8Å; N528-S530 PolarHBondContact OD1-OG 3.26Å; N528-S530 VanDerWaalsContact OD1-OG 3.05Å; N528-S531 PolarHBondContact OD1-N 2.92Å; N528-S531 PolarHBondContact OD1-OG 2.8Å; N528-N550 WeakPolarHBondContact O-CA 3.24Å; N528-N550 PolarHBondContact O-N 3.37Å
529	G	93.5	Very high	92.9	Very high	38 Å²	38	33.2 Å²	33.2	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.5	-178.3	0	0	0	0	0	115.4	H549 N550	G529-H549 PolarHBondContact O-CE1 3.02Å; G529-N550 WeakPolarHBondContact CA-OD1 3.45Å; G529-N550 PolarHBondContact N-OD1 3.03Å
530	S	95.3	Very high	92.6	Very high	16 Å²	16	40.1 Å²	40.1	11%	0.112	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	2.4	-176.4	65.2	0	0	0	0	113	A515 Y516 T519 N528	A515-S530 CarbonylContact C-O 3.56Å; A515-S530 WeakPolarHBondContact CA-O 3.32Å; Y516-S530 PolarHBondContact N-O 3.16Å; T519-S530 VanDerWaalsContact CA-OG 3.29Å; T519-S530 WeakPolarHBondContact CA-OG 3.3Å; T519-S530 WeakPolarHBondContact CB-OG 3.43Å; T519-S530 WeakPolarHBondContact CG2-OG 3.36Å; T519-S530 WeakPolarHBondContact OG1-CB 3.29Å; T519-S530 PolarHBondContact OG1-O 2.84Å; T519-S530 PolarHBondContact OG1-OG 2.77Å; N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact OD1-N 2.8Å; N528-S530 PolarHBondContact OD1-OG 3.26Å; N528-S530 VanDerWaalsContact OD1-OG 3.05Å
531	S	96.7	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.2	179.3	57.4	0	0	0	0	113	V514 G526 N528 H549	V514-S531 WeakPolarHBondContact O-CA 3.25Å; G526-S531 WeakPolarHBondContact CA-OG 3.39Å; G526-S531 PolarHBondContact N-OG 2.84Å; N528-S531 PolarHBondContact OD1-N 2.92Å; N528-S531 PolarHBondContact OD1-OG 2.8Å; S531-H549 PolarHBondContact O-ND1 3.17Å
532	W	97.7	Very high	92.3	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	115.4	178.6	-62.6	-95.8	0	0	0	108.6	G513 V514 Y516 H549 L576 F590 C592 F594	G513-W532 CarbonylContact C-O 3.52Å; G513-W532 VanDerWaalsContact CA-O 3.25Å; G513-W532 WeakPolarHBondContact CA-O 3.42Å; V514-W532 HydrophobicContact CG2-CB 4.4Å; V514-W532 HydrophobicContact CG2-CE3 4.07Å; V514-W532 PolarHBondContact N-O 2.85Å; V514-W532 PolarHBondContact O-N 2.93Å; Y516-W532 HydrophobicContact CD1-CZ3 4.44Å; Y516-W532 HydrophobicContact CD2-CH2 4.18Å; Y516-W532 HydrophobicContact CD2-CZ3 4.26Å; Y516-W532 HydrophobicContact CE1-CH2 4.26Å; Y516-W532 HydrophobicContact CE1-CZ3 4.16Å; Y516-W532 AromaticContact CE2-CH2 3.52Å; Y516-W532 HydrophobicContact CE2-CH2 3.52Å; Y516-W532 AromaticContact CE2-CZ3 3.98Å; Y516-W532 HydrophobicContact CE2-CZ3 3.98Å; Y516-W532 HydrophobicContact CG-CZ3 4.47Å; Y516-W532 AromaticContact CZ-CH2 3.56Å; Y516-W532 AromaticContact CZ-CZ3 3.92Å; W532-H549 AromaticContact CD1-CG 3.44Å; W532-H549 VanDerWaalsContact CD1-CG 3.44Å; W532-H549 AromaticContact CD1-ND1 3.47Å; W532-H549 AromaticContact CD2-ND1 3.9Å; W532-H549 AromaticContact CE2-CE1 3.29Å; W532-H549 AromaticContact CE2-ND1 3.41Å; W532-H549 AromaticContact CE2-NE2 3.91Å; W532-H549 HydrophobicContact CG-CB 4.4Å; W532-H549 AromaticContact CG-ND1 3.91Å; W532-H549 AromaticContact CZ2-CE1 3.36Å; W532-H549 WeakPolarHBondContact CZ2-CE1 3.46Å; W532-H549 AromaticContact CZ2-ND1 3.92Å; W532-H549 AromaticContact CZ2-NE2 4Å; W532-H549 AromaticContact NE1-CD2 3.51Å; W532-H549 AromaticContact NE1-CE1 3.2Å; W532-H549 PolarHBondContact NE1-CE1 3.18Å; W532-H549 AromaticContact NE1-CG 3.31Å; W532-H549 VanDerWaalsContact NE1-CG 3.31Å; W532-H549 AromaticContact NE1-ND1 3.13Å; W532-H549 PolarHBondContact NE1-ND1 2.94Å; W532-H549 VanDerWaalsContact NE1-ND1 3.13Å; W532-H549 AromaticContact NE1-NE2 3.44Å; W532-H549 PolarHBondContact NE1-NE2 2.91Å; W532-L576 HydrophobicContact CB-CD2 3.69Å; W532-F590 HydrophobicContact CB-CD2 3.99Å; W532-F590 HydrophobicContact CB-CE2 4.01Å; W532-F590 HydrophobicContact CB-CG 4.45Å; W532-F590 AromaticContact CD1-CD1 3.94Å; W532-F590 AromaticContact CD1-CG 3.82Å; W532-F590 HydrophobicContact CG-CD2 4.48Å; W532-F590 HydrophobicContact CG-CG 4.49Å; W532-C592 HydrophobicContact CZ2-CB 4.3Å; W532-C592 WeakPolarHBondContact CZ2-SG 3.2Å; W532-F594 AromaticContact CD2-CE1 3.94Å; W532-F594 HydrophobicContact CD2-CE1 3.94Å; W532-F594 HydrophobicContact CE3-CD1 4.44Å; W532-F594 AromaticContact CE3-CE1 3.78Å; W532-F594 HydrophobicContact CE3-CE1 3.78Å; W532-F594 HydrophobicContact CH2-CD1 4.22Å; W532-F594 HydrophobicContact CH2-CE1 4.18Å; W532-F594 HydrophobicContact CZ2-CE1 4.31Å; W532-F594 HydrophobicContact CZ3-CD1 4.12Å; W532-F594 AromaticContact CZ3-CE1 3.9Å; W532-F594 HydrophobicContact CZ3-CE1 3.9Å
533	C	96.8	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.2	-176.9	68	0	0	0	0	113.8	R511 V512 L525 F547 L548	R511-C533 HydrophobicContact CB-CB 4.44Å; V512-C533 CarbonylContact O-C 3.54Å; V512-C533 VanDerWaalsContact O-CA 3.25Å; V512-C533 WeakPolarHBondContact O-CA 3.5Å; V512-C533 WeakPolarHBondContact O-CB 3.39Å; L525-C533 VanDerWaalsContact C-SG 3.52Å; L525-C533 PolarHBondContact O-SG 3.49Å; C533-F547 CarbonylContact O-C 3.56Å; C533-F547 WeakPolarHBondContact O-CA 3.35Å; C533-L548 PolarHBondContact N-O 2.91Å; C533-L548 PolarHBondContact O-N 3.01Å
534	M	96.8	Very high	92.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.1	161.5	175.8	178.1	169.7	0	0	108.1	R511 V512 Y545 E546 F547 I558 P562 I565 F578 L587	R511-M534 CarbonylContact C-O 3.57Å; R511-M534 VanDerWaalsContact CA-O 3.26Å; R511-M534 WeakPolarHBondContact CA-O 3.36Å; V512-M534 HydrophobicContact CG2-CB 3.96Å; V512-M534 PolarHBondContact N-O 3.45Å; V512-M534 PolarHBondContact O-N 3.44Å; M534-Y545 HydrophobicContact CE-CD1 3.23Å; M534-Y545 HydrophobicContact CE-CE1 3.57Å; M534-Y545 HydrophobicContact CE-CG 4.14Å; M534-E546 CarbonylContact C-O 3.59Å; M534-E546 WeakPolarHBondContact CA-O 3.48Å; M534-F547 HydrophobicContact CB-CD1 3.9Å; M534-F547 HydrophobicContact CB-CE1 3.66Å; M534-F547 HydrophobicContact CB-CZ 4.43Å; M534-F547 HydrophobicContact CE-CZ 4.37Å; M534-F547 HydrophobicContact CG-CD1 4.19Å; M534-F547 HydrophobicContact CG-CE1 3.6Å; M534-F547 HydrophobicContact CG-CZ 3.87Å; M534-F547 HydrophobicContact SD-CE1 3.72Å; M534-F547 HydrophobicContact SD-CZ 3.79Å; M534-I558 HydrophobicContact CE-CD1 3.96Å; M534-P562 HydrophobicContact CE-CG 4.06Å; M534-I565 HydrophobicContact CE-CD1 3.9Å; M534-I565 HydrophobicContact CE-CG1 4.48Å; M534-I565 HydrophobicContact SD-CD1 4.11Å; M534-I565 HydrophobicContact SD-CG2 4.1Å; M534-F578 HydrophobicContact CB-CD1 3.81Å; M534-F578 HydrophobicContact CB-CE1 3.77Å; M534-F578 HydrophobicContact CB-CG 4.32Å; M534-F578 HydrophobicContact CB-CZ 4.24Å; M534-F578 HydrophobicContact SD-CB 4.38Å; M534-F578 HydrophobicContact SD-CD1 4.18Å; M534-F578 HydrophobicContact SD-CG 4.46Å; M534-L587 HydrophobicContact CE-CD1 4.03Å; M534-L587 HydrophobicContact SD-CD1 4.18Å
535	R	95.9	Very high	92.7	Very high	57 Å²	57	41 Å²	41	22%	0.215	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.8	174.7	-178.2	-177.1	-170.6	-160.1	3	110.4	F510 R511 I537 Y545 E546 L548 D605	F510-R535 CarbonylContact O-C 3.58Å; F510-R535 WeakPolarHBondContact O-CA 3.36Å; R511-R535 HydrophobicContact CG-CB 4.14Å; R511-R535 HydrophobicContact CG-CG 3.97Å; R535-I537 HydrophobicContact CG-CD1 4.5Å; R535-I537 HydrophobicContact CG-CG1 4.06Å; R535-Y545 CarbonylContact O-C 3.59Å; R535-Y545 VanDerWaalsContact O-CA 3.26Å; R535-Y545 WeakPolarHBondContact O-CA 3.27Å; R535-E546 HydrophobicContact CB-CB 4.37Å; R535-E546 PolarHBondContact N-O 2.91Å; R535-E546 IonicContact NH1-OE2 2.86Å; R535-E546 PolarHBondContact O-N 3.01Å; R535-L548 HydrophobicContact CB-CD1 3.79Å; R535-L548 HydrophobicContact CG-CD1 4.42Å; R535-D605 IonicContact CZ-OD2 3.85Å; R535-D605 VanDerWaalsContact CZ-OD2 3.29Å; R535-D605 IonicContact NE-OD2 3.46Å; R535-D605 PolarHBondContact NE-OD2 2.66Å; R535-D605 IonicContact NH2-OD2 3.45Å; R535-D605 PolarHBondContact NH2-OD2 2.94Å
536	H	95.2	Very high	92.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.1	170.7	172.2	-117	0	0	0	110.5	T508 E509 F510 H543 K544 Y545 H561	T508-H536 PolarHBondContact O-CE1 3.44Å; T508-H536 PolarHBondContact O-ND1 3.13Å; E509-H536 WeakPolarHBondContact CA-O 3.4Å; F510-H536 HydrophobicContact CD1-CB 3.92Å; F510-H536 AromaticContact CD1-ND1 3.9Å; F510-H536 HydrophobicContact CD2-CB 4.16Å; F510-H536 HydrophobicContact CE1-CB 3.47Å; F510-H536 VanDerWaalsContact CE1-CB 3.47Å; F510-H536 AromaticContact CE1-CG 3.68Å; F510-H536 AromaticContact CE1-ND1 3.48Å; F510-H536 WeakPolarHBondContact CE1-ND1 3.25Å; F510-H536 HydrophobicContact CE2-CB 3.77Å; F510-H536 HydrophobicContact CG-CB 4.23Å; F510-H536 HydrophobicContact CZ-CB 3.38Å; F510-H536 AromaticContact CZ-CG 3.95Å; F510-H536 PolarHBondContact N-O 3.17Å; F510-H536 PolarHBondContact O-N 3.2Å; H536-H543 AromaticContact CE1-ND1 3.55Å; H536-H543 AromaticContact NE2-CG 3.59Å; H536-H543 AromaticContact NE2-ND1 2.89Å; H536-H543 PolarHBondContact NE2-ND1 3.33Å; H536-K544 WeakPolarHBondContact CA-O 3.09Å; H536-Y545 HydrophobicContact CB-CD1 3.98Å; H536-Y545 HydrophobicContact CB-CE1 3.8Å; H536-Y545 AromaticContact CD2-CD1 3.93Å; H536-Y545 AromaticContact CD2-CE1 3.32Å; H536-Y545 WeakPolarHBondContact CD2-CE1 3.11Å; H536-Y545 AromaticContact CD2-CZ 3.44Å; H536-Y545 VanDerWaalsContact CD2-CZ 3.44Å; H536-Y545 AromaticContact CG-CE1 3.76Å; H536-H561 AromaticContact NE2-ND1 3.95Å
537	I	92.6	Very high	92.9	Very high	30 Å²	30	42.7 Å²	42.7	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.3	176	-49.5	170.6	0	0	0	108.6	E509 R535 K544	E509-I537 WeakPolarHBondContact OE1-CG2 3.2Å; R535-I537 HydrophobicContact CG-CD1 4.5Å; R535-I537 HydrophobicContact CG-CG1 4.06Å; I537-K544 PolarHBondContact N-O 2.95Å; I537-K544 PolarHBondContact O-N 3.42Å
538	R	88.9	Confident	93.1	Very high	95 Å²	95	40.8 Å²	40.8	36%	0.358	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.9	177.2	-160.8	178.4	-164.5	-161.8	13	109.1	D506 E507 E509	D506-R538 IonicContact OD2-NH2 3.29Å; D506-R538 PolarHBondContact OD2-NH2 2.99Å; D506-R538 VanDerWaalsContact OD2-NH2 3.14Å; E507-R538 IonicContact OE1-CZ 3.93Å; E507-R538 IonicContact OE1-NH1 3.11Å; E507-R538 PolarHBondContact OE1-NH1 3.15Å; E507-R538 IonicContact OE1-NH2 3.8Å; E507-R538 PolarHBondContact OE1-NH2 2.84Å; E509-R538 HydrophobicContact CG-CB 4.35Å; E509-R538 PolarHBondContact OE1-N 2.88Å
539	T	86.2	Confident	93.2	Very high	41 Å²	41	42 Å²	42	25%	0.252	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	158.6	171	74.2	0	0	0	0	109.7	S541 R542 K544	T539-S541 PolarHBondContact O-N 3.4Å; T539-R542 WeakPolarHBondContact CB-O 3.41Å; T539-R542 PolarHBondContact N-O 3.24Å; T539-R542 PolarHBondContact O-N 2.85Å; T539-R542 WeakPolarHBondContact OG1-CG 3.25Å; T539-R542 PolarHBondContact OG1-N 2.72Å; T539-R542 PolarHBondContact OG1-O 3.18Å; T539-K544 HydrophobicContact CG2-CB 4.17Å
540	P	85.7	Confident	93.3	Very high	148 Å²	148	45 Å²	45	96%	0.961	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.6	-179.8	-27.4	35	0	0	0	115.7
541	S	84.5	Confident	93.1	Very high	111 Å²	111	46.7 Å²	46.7	78%	0.776	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	-11.7	-175.6	60.2	0	0	0	0	114.7	T539	T539-S541 PolarHBondContact O-N 3.4Å
542	R	87.4	Confident	92.9	Very high	115 Å²	115	54.5 Å²	54.5	43%	0.434	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	161.4	-178.2	61.7	176.5	-176.9	144.5	-2.9	113.5	T539	T539-R542 WeakPolarHBondContact CB-O 3.41Å; T539-R542 PolarHBondContact N-O 3.24Å; T539-R542 PolarHBondContact O-N 2.85Å; T539-R542 WeakPolarHBondContact OG1-CG 3.25Å; T539-R542 PolarHBondContact OG1-N 2.72Å; T539-R542 PolarHBondContact OG1-O 3.18Å
543	H	90.9	Very high	92.7	Very high	49 Å²	49	55.8 Å²	55.8	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.8	160	-56.5	-89.6	0	0	0	109.9	D506 H536 Y545 H561	D506-H543 IonicContact OD1-CE1 3.12Å; D506-H543 PolarHBondContact OD1-CE1 2.79Å; D506-H543 IonicContact OD1-NE2 3.79Å; H536-H543 AromaticContact CE1-ND1 3.55Å; H536-H543 AromaticContact NE2-CG 3.59Å; H536-H543 AromaticContact NE2-ND1 2.89Å; H536-H543 PolarHBondContact NE2-ND1 3.33Å; H543-Y545 HydrophobicContact CB-CD2 4.47Å; H543-Y545 HydrophobicContact CB-CE2 3.59Å; H543-H561 AromaticContact CE1-ND1 3.47Å; H543-H561 PolarHBondContact CE1-ND1 3.41Å; H543-H561 AromaticContact CG-ND1 3.77Å; H543-H561 AromaticContact ND1-CE1 3.98Å; H543-H561 AromaticContact ND1-ND1 3.24Å; H543-H561 PolarHBondContact ND1-ND1 3.08Å
544	K	92.6	Very high	92.4	Very high	72 Å²	72	57.1 Å²	57.1	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.1	173.7	-176.7	-175.4	172.7	-162	0	108.6	H536 I537 T539 E546	H536-K544 WeakPolarHBondContact CA-O 3.09Å; I537-K544 PolarHBondContact N-O 2.95Å; I537-K544 PolarHBondContact O-N 3.42Å; T539-K544 HydrophobicContact CG2-CB 4.17Å; K544-E546 WeakPolarHBondContact CE-OE1 3.23Å; K544-E546 IonicContact NZ-OE1 2.85Å; K544-E546 PolarHBondContact NZ-OE1 2.99Å
545	Y	94.6	Very high	92	Very high	13 Å²	13	65.4 Å²	65.4	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.4	177.4	-60.3	-87.9	0	0	0	110.6	M534 R535 H536 H543 I558 H561 P562	M534-Y545 HydrophobicContact CE-CD1 3.23Å; M534-Y545 HydrophobicContact CE-CE1 3.57Å; M534-Y545 HydrophobicContact CE-CG 4.14Å; R535-Y545 CarbonylContact O-C 3.59Å; R535-Y545 VanDerWaalsContact O-CA 3.26Å; R535-Y545 WeakPolarHBondContact O-CA 3.27Å; H536-Y545 HydrophobicContact CB-CD1 3.98Å; H536-Y545 HydrophobicContact CB-CE1 3.8Å; H536-Y545 AromaticContact CD2-CD1 3.93Å; H536-Y545 AromaticContact CD2-CE1 3.32Å; H536-Y545 WeakPolarHBondContact CD2-CE1 3.11Å; H536-Y545 AromaticContact CD2-CZ 3.44Å; H536-Y545 VanDerWaalsContact CD2-CZ 3.44Å; H536-Y545 AromaticContact CG-CE1 3.76Å; H543-Y545 HydrophobicContact CB-CD2 4.47Å; H543-Y545 HydrophobicContact CB-CE2 3.59Å; Y545-I558 HydrophobicContact CD1-CD1 4.07Å; Y545-I558 HydrophobicContact CD2-CB 3.59Å; Y545-I558 HydrophobicContact CD2-CD1 3.81Å; Y545-I558 HydrophobicContact CD2-CG1 3.97Å; Y545-I558 HydrophobicContact CD2-CG2 4.3Å; Y545-I558 HydrophobicContact CE2-CB 3.93Å; Y545-I558 HydrophobicContact CE2-CD1 4.41Å; Y545-I558 HydrophobicContact CE2-CG2 4.18Å; Y545-I558 HydrophobicContact CG-CB 4.29Å; Y545-I558 HydrophobicContact CG-CD1 3.6Å; Y545-I558 HydrophobicContact CG-CG1 4.16Å; Y545-H561 WeakPolarHBondContact OH-CA 2.92Å; Y545-H561 PolarHBondContact OH-ND1 3.02Å; Y545-P562 HydrophobicContact CE1-CG 4.31Å; Y545-P562 VanDerWaalsContact OH-CD 3.23Å; Y545-P562 WeakPolarHBondContact OH-CD 3.39Å
546	E	96	Very high	91.6	Very high	36 Å²	36	66 Å²	66	17%	0.168	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.8	176.9	-61.4	178.4	146.6	0	0	108.6	M534 R535 K544 L548 S553	M534-E546 CarbonylContact C-O 3.59Å; M534-E546 WeakPolarHBondContact CA-O 3.48Å; R535-E546 HydrophobicContact CB-CB 4.37Å; R535-E546 PolarHBondContact N-O 2.91Å; R535-E546 IonicContact NH1-OE2 2.86Å; R535-E546 PolarHBondContact O-N 3.01Å; K544-E546 WeakPolarHBondContact CE-OE1 3.23Å; K544-E546 IonicContact NZ-OE1 2.85Å; K544-E546 PolarHBondContact NZ-OE1 2.99Å; E546-L548 HydrophobicContact CB-CD1 4.47Å; E546-L548 HydrophobicContact CB-CD2 4.08Å; E546-L548 HydrophobicContact CB-CG 4.01Å; E546-S553 WeakPolarHBondContact CA-OG 3.31Å
547	F	97.1	Very high	91.2	Very high	1 Å²	1	74.3 Å²	74.3	0%	0.004	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	94.2	175.3	-69.2	-87.8	0	0	0	107.6	C533 M534 S553 P554 L556 I558 F578 L587 H588 F590	C533-F547 CarbonylContact O-C 3.56Å; C533-F547 WeakPolarHBondContact O-CA 3.35Å; M534-F547 HydrophobicContact CB-CD1 3.9Å; M534-F547 HydrophobicContact CB-CE1 3.66Å; M534-F547 HydrophobicContact CB-CZ 4.43Å; M534-F547 HydrophobicContact CE-CZ 4.37Å; M534-F547 HydrophobicContact CG-CD1 4.19Å; M534-F547 HydrophobicContact CG-CE1 3.6Å; M534-F547 HydrophobicContact CG-CZ 3.87Å; M534-F547 HydrophobicContact SD-CE1 3.72Å; M534-F547 HydrophobicContact SD-CZ 3.79Å; F547-S553 PolarHBondContact N-OG 2.9Å; F547-S553 VanDerWaalsContact O-CA 3.31Å; F547-S553 WeakPolarHBondContact O-CA 3.49Å; F547-P554 HydrophobicContact CB-CG 4.25Å; F547-P554 WeakPolarHBondContact O-CD 3.39Å; F547-L556 HydrophobicContact CD2-CD2 4.04Å; F547-L556 HydrophobicContact CE2-CD2 3.61Å; F547-L556 HydrophobicContact CZ-CD2 4.48Å; F547-I558 HydrophobicContact CE2-CD1 4.23Å; F547-I558 HydrophobicContact CZ-CD1 4.17Å; F547-F578 AromaticContact CD1-CD2 3.93Å; F547-F578 HydrophobicContact CD1-CD2 3.93Å; F547-F578 HydrophobicContact CD1-CE2 4.32Å; F547-F578 HydrophobicContact CD1-CG 4.36Å; F547-F578 HydrophobicContact CE1-CB 3.82Å; F547-F578 AromaticContact CE1-CD2 3.8Å; F547-F578 HydrophobicContact CE1-CD2 3.8Å; F547-F578 AromaticContact CE1-CG 3.8Å; F547-F578 HydrophobicContact CE1-CG 3.8Å; F547-L587 HydrophobicContact CZ-CB 3.96Å; F547-H588 VanDerWaalsContact CB-CD2 3.42Å; F547-H588 WeakPolarHBondContact CB-CD2 3.39Å; F547-H588 HydrophobicContact CD1-CB 3.4Å; F547-H588 VanDerWaalsContact CD1-CB 3.4Å; F547-H588 AromaticContact CD1-CD2 3.54Å; F547-H588 AromaticContact CD1-CG 3.68Å; F547-H588 HydrophobicContact CD2-CB 3.81Å; F547-H588 AromaticContact CD2-CG 3.93Å; F547-H588 HydrophobicContact CE1-CB 3.36Å; F547-H588 HydrophobicContact CE2-CB 3.8Å; F547-H588 HydrophobicContact CG-CB 3.62Å; F547-H588 AromaticContact CG-CD2 3.46Å; F547-H588 VanDerWaalsContact CG-CD2 3.46Å; F547-H588 WeakPolarHBondContact CG-CD2 3.48Å; F547-H588 AromaticContact CG-CG 3.53Å; F547-H588 HydrophobicContact CZ-CB 3.56Å; F547-F590 VanDerWaalsContact C-CZ 3.47Å; F547-F590 HydrophobicContact CB-CE1 4.25Å; F547-F590 HydrophobicContact CB-CE2 4.35Å; F547-F590 HydrophobicContact CB-CZ 3.71Å; F547-F590 HydrophobicContact CD1-CE2 4.48Å
548	L	97	Very high	91	Very high	17 Å²	17	73.8 Å²	73.8	9%	0.089	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130	-165	-62.5	169.4	0	0	0	112.3	C533 R535 E546 W552	C533-L548 PolarHBondContact N-O 2.91Å; C533-L548 PolarHBondContact O-N 3.01Å; R535-L548 HydrophobicContact CB-CD1 3.79Å; R535-L548 HydrophobicContact CG-CD1 4.42Å; E546-L548 HydrophobicContact CB-CD1 4.47Å; E546-L548 HydrophobicContact CB-CD2 4.08Å; E546-L548 HydrophobicContact CB-CG 4.01Å; L548-W552 WeakPolarHBondContact CA-O 3.19Å
549	H	96.3	Very high	90.9	Very high	39 Å²	39	74.8 Å²	74.8	18%	0.181	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-154	135	164.2	174	61.9	0	0	0	108.8	G526 G529 S531 W532 G551 W552 F590	G526-H549 CarbonylContact O-C 3.48Å; G526-H549 WeakPolarHBondContact O-CA 3.48Å; G526-H549 PolarHBondContact O-N 2.97Å; G529-H549 PolarHBondContact O-CE1 3.02Å; S531-H549 PolarHBondContact O-ND1 3.17Å; W532-H549 AromaticContact CD1-CG 3.44Å; W532-H549 VanDerWaalsContact CD1-CG 3.44Å; W532-H549 AromaticContact CD1-ND1 3.47Å; W532-H549 AromaticContact CD2-ND1 3.9Å; W532-H549 AromaticContact CE2-CE1 3.29Å; W532-H549 AromaticContact CE2-ND1 3.41Å; W532-H549 AromaticContact CE2-NE2 3.91Å; W532-H549 HydrophobicContact CG-CB 4.4Å; W532-H549 AromaticContact CG-ND1 3.91Å; W532-H549 AromaticContact CZ2-CE1 3.36Å; W532-H549 WeakPolarHBondContact CZ2-CE1 3.46Å; W532-H549 AromaticContact CZ2-ND1 3.92Å; W532-H549 AromaticContact CZ2-NE2 4Å; W532-H549 AromaticContact NE1-CD2 3.51Å; W532-H549 AromaticContact NE1-CE1 3.2Å; W532-H549 PolarHBondContact NE1-CE1 3.18Å; W532-H549 AromaticContact NE1-CG 3.31Å; W532-H549 VanDerWaalsContact NE1-CG 3.31Å; W532-H549 AromaticContact NE1-ND1 3.13Å; W532-H549 PolarHBondContact NE1-ND1 2.94Å; W532-H549 VanDerWaalsContact NE1-ND1 3.13Å; W532-H549 AromaticContact NE1-NE2 3.44Å; W532-H549 PolarHBondContact NE1-NE2 2.91Å; H549-G551 PolarHBondContact O-N 3.44Å; H549-W552 PolarHBondContact N-O 2.72Å; H549-W552 VanDerWaalsContact N-O 3.08Å; H549-W552 WeakPolarHBondContact O-CB 3.37Å; H549-W552 PolarHBondContact O-N 2.87Å; H549-F590 HydrophobicContact CB-CD1 4.43Å; H549-F590 HydrophobicContact CB-CE1 3.96Å
550	N	94.4	Very high	91	Very high	100 Å²	100	76.2 Å²	76.2	54%	0.535	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.7	-173	-79.3	-50.5	0	0	0	113.4	G526 N528 G529 W552	G526-N550 PolarHBondContact O-N 3.28Å; N528-N550 WeakPolarHBondContact O-CA 3.24Å; N528-N550 PolarHBondContact O-N 3.37Å; G529-N550 WeakPolarHBondContact CA-OD1 3.45Å; G529-N550 PolarHBondContact N-OD1 3.03Å; N550-W552 PolarHBondContact O-N 2.91Å; N550-W552 VanDerWaalsContact O-N 3.13Å
551	G	91.3	Very high	91.2	Very high	52 Å²	52	70.7 Å²	70.7	54%	0.536	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	6.4	-176.4	0	0	0	0	0	114.5	G526 A527 H549	G526-G551 PolarHBondContact O-N 2.82Å; A527-G551 PolarHBondContact O-N 3.42Å; H549-G551 PolarHBondContact O-N 3.44Å
552	W	93.3	Very high	91.5	Very high	164 Å²	164	65.4 Å²	65.4	62%	0.621	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-101.3	141	178.3	-177	86.6	0	0	0	110.8	L548 H549 N550 P554	L548-W552 WeakPolarHBondContact CA-O 3.19Å; H549-W552 PolarHBondContact N-O 2.72Å; H549-W552 VanDerWaalsContact N-O 3.08Å; H549-W552 WeakPolarHBondContact O-CB 3.37Å; H549-W552 PolarHBondContact O-N 2.87Å; N550-W552 PolarHBondContact O-N 2.91Å; N550-W552 VanDerWaalsContact O-N 3.13Å; W552-P554 HydrophobicContact CH2-CB 3.82Å; W552-P554 HydrophobicContact CH2-CG 4.43Å; W552-P554 HydrophobicContact CZ2-CB 4.47Å; W552-P554 HydrophobicContact CZ3-CB 4.24Å; W552-P554 HydrophobicContact CZ3-CG 4.36Å
553	S	92.9	Very high	91.6	Very high	32 Å²	32	63.3 Å²	63.3	22%	0.224	33%	0.329	C	S	.	.			trans	-134.1	140.7	170.7	175	0	0	0	0	110	E546 F547	E546-S553 WeakPolarHBondContact CA-OG 3.31Å; F547-S553 PolarHBondContact N-OG 2.9Å; F547-S553 VanDerWaalsContact O-CA 3.31Å; F547-S553 WeakPolarHBondContact O-CA 3.49Å
554	P	90.6	Very high	91.8	Very high	28 Å²	28	63.6 Å²	63.6	18%	0.182	33%	0.328	C	S	.	.			trans	-64.8	152.9	167.7	30	-34.6	0	0	0	110.5	F547 W552 L556	F547-P554 HydrophobicContact CB-CG 4.25Å; F547-P554 WeakPolarHBondContact O-CD 3.39Å; W552-P554 HydrophobicContact CH2-CB 3.82Å; W552-P554 HydrophobicContact CH2-CG 4.43Å; W552-P554 HydrophobicContact CZ2-CB 4.47Å; W552-P554 HydrophobicContact CZ3-CB 4.24Å; W552-P554 HydrophobicContact CZ3-CG 4.36Å; P554-L556 PolarHBondContact O-N 3.37Å; P554-L556 VanDerWaalsContact O-N 3.13Å
555	D	87.8	Confident	92	Very high	174 Å²	174	60.1 Å²	60.1	93%	0.93	31%	0.313	S	S	*	.			trans	-78.2	94.4	169.5	-171.7	19.9	0	0	0	109
556	L	88.1	Confident	92.2	Very high	70 Å²	70	59.5 Å²	59.5	37%	0.366	31%	0.31	S	S	.	.			trans	-126.2	141.7	-179.9	-173.5	72.7	0	0	0	110	F547 P554 L587 H588	F547-L556 HydrophobicContact CD2-CD2 4.04Å; F547-L556 HydrophobicContact CE2-CD2 3.61Å; F547-L556 HydrophobicContact CZ-CD2 4.48Å; P554-L556 PolarHBondContact O-N 3.37Å; P554-L556 VanDerWaalsContact O-N 3.13Å; L556-L587 VanDerWaalsContact CD2-O 3.25Å; L556-L587 WeakPolarHBondContact CD2-O 3.41Å; L556-H588 HydrophobicContact CD2-CB 4.48Å
557	R	86.4	Confident	92.3	Very high	173 Å²	173	57.8 Å²	57.8	65%	0.653	30%	0.302	S	S	*	.			trans	-119.2	114.3	174.8	-173	173.5	-178.1	159.6	-1.1	110.6
558	I	89.6	Confident	92.3	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	30%	0.302	C	S	.	.			trans	-84.5	127.2	166.6	-54.9	-176.7	0	0	0	107.8	M534 Y545 F547 V560 L587	M534-I558 HydrophobicContact CE-CD1 3.96Å; Y545-I558 HydrophobicContact CD1-CD1 4.07Å; Y545-I558 HydrophobicContact CD2-CB 3.59Å; Y545-I558 HydrophobicContact CD2-CD1 3.81Å; Y545-I558 HydrophobicContact CD2-CG1 3.97Å; Y545-I558 HydrophobicContact CD2-CG2 4.3Å; Y545-I558 HydrophobicContact CE2-CB 3.93Å; Y545-I558 HydrophobicContact CE2-CD1 4.41Å; Y545-I558 HydrophobicContact CE2-CG2 4.18Å; Y545-I558 HydrophobicContact CG-CB 4.29Å; Y545-I558 HydrophobicContact CG-CD1 3.6Å; Y545-I558 HydrophobicContact CG-CG1 4.16Å; F547-I558 HydrophobicContact CE2-CD1 4.23Å; F547-I558 HydrophobicContact CZ-CD1 4.17Å; I558-V560 WeakPolarHBondContact CG2-O 3.5Å; I558-L587 HydrophobicContact CD1-CB 4.35Å; I558-L587 HydrophobicContact CD1-CD1 4.04Å; I558-L587 HydrophobicContact CD1-CD2 3.96Å; I558-L587 HydrophobicContact CD1-CG 4.34Å; I558-L587 HydrophobicContact CG1-CD2 4.38Å; I558-L587 HydrophobicContact CG2-CD2 4.33Å
559	T	85.4	Confident	92.2	Very high	115 Å²	115	57 Å²	57	71%	0.706	30%	0.298	S	S	*	.	S	Bend	trans	-94.1	-24.6	-177	49.3	0	0	0	0	113.2
560	V	89.8	Confident	92.1	Very high	72 Å²	72	55.2 Å²	55.2	44%	0.436	29%	0.29	S	S	.	.	S	Bend	trans	-120.3	121.3	178.2	-172.7	0	0	0	0	108.9	I558 P562 L583	I558-V560 WeakPolarHBondContact CG2-O 3.5Å; V560-P562 WeakPolarHBondContact O-CD 3.48Å; V560-L583 HydrophobicContact CB-CD1 4Å; V560-L583 HydrophobicContact CG1-CD1 3.86Å; V560-L583 HydrophobicContact CG2-CD1 4.32Å
561	H	89.3	Confident	92	Very high	31 Å²	31	51.1 Å²	51.1	14%	0.144	27%	0.267	C	S	.	.			trans	-60.3	122.3	177.8	173.6	95.6	0	0	0	110.3	H536 H543 Y545 V563	H536-H561 AromaticContact NE2-ND1 3.95Å; H543-H561 AromaticContact CE1-ND1 3.47Å; H543-H561 PolarHBondContact CE1-ND1 3.41Å; H543-H561 AromaticContact CG-ND1 3.77Å; H543-H561 AromaticContact ND1-CE1 3.98Å; H543-H561 AromaticContact ND1-ND1 3.24Å; H543-H561 PolarHBondContact ND1-ND1 3.08Å; Y545-H561 WeakPolarHBondContact OH-CA 2.92Å; Y545-H561 PolarHBondContact OH-ND1 3.02Å; H561-V563 PolarHBondContact O-N 2.75Å
562	P	91.4	Very high	92	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.			trans	-79.5	113.6	173	30.3	-26.7	0	0	0	109.9	M534 Y545 V560 R564 I565 N580 L587	M534-P562 HydrophobicContact CE-CG 4.06Å; Y545-P562 HydrophobicContact CE1-CG 4.31Å; Y545-P562 VanDerWaalsContact OH-CD 3.23Å; Y545-P562 WeakPolarHBondContact OH-CD 3.39Å; V560-P562 WeakPolarHBondContact O-CD 3.48Å; P562-R564 VanDerWaalsContact C-N 3.26Å; P562-I565 HydrophobicContact CB-CG1 3.94Å; P562-I565 HydrophobicContact CG-CD1 4.25Å; P562-I565 HydrophobicContact CG-CG1 3.88Å; P562-N580 HydrophobicContact CB-CB 3.86Å; P562-L587 HydrophobicContact CG-CD1 4.25Å
563	V	88.9	Confident	92	Very high	71 Å²	71	53.5 Å²	53.5	43%	0.43	27%	0.269	S	S	.	.	S	Bend	trans	-69.4	-30.8	170.9	-179.1	0	0	0	0	110.7	V504 H561	V504-V563 PolarHBondContact N-O 2.91Å; V504-V563 VanDerWaalsContact N-O 3.16Å; H561-V563 PolarHBondContact O-N 2.75Å
564	R	95.5	Very high	92	Very high	55 Å²	55	52.5 Å²	52.5	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.2	178.8	-170.3	170.5	-87.8	-108.9	0.8	110.4	E501 V502 E503 P562 A581 N582 H613	E501-R564 HydrophobicContact CB-CG 4.12Å; E501-R564 HydrophobicContact CG-CG 4.36Å; E501-R564 VanDerWaalsContact OE2-CD 3.25Å; E501-R564 WeakPolarHBondContact OE2-CD 3.31Å; E501-R564 IonicContact OE2-CZ 2.62Å; E501-R564 IonicContact OE2-NE 3.7Å; E501-R564 IonicContact OE2-NH1 3.2Å; E501-R564 PolarHBondContact OE2-NH1 3.36Å; V502-R564 CarbonylContact O-C 3.53Å; V502-R564 WeakPolarHBondContact O-CA 3.37Å; E503-R564 IonicContact OE1-NH2 3.85Å; E503-R564 IonicContact OE2-CZ 2.86Å; E503-R564 IonicContact OE2-NH2 2.67Å; E503-R564 PolarHBondContact OE2-NH2 2.96Å; P562-R564 VanDerWaalsContact C-N 3.26Å; R564-A581 HydrophobicContact CB-CB 4.12Å; R564-A581 HydrophobicContact CG-CB 3.85Å; R564-A581 PolarHBondContact O-N 2.89Å; R564-N582 VanDerWaalsContact CB-OD1 3.24Å; R564-N582 WeakPolarHBondContact CB-OD1 3.43Å; R564-H613 PolarHBondContact NH2-CD2 3.19Å; R564-H613 PolarHBondContact NH2-CE1 2.96Å; R564-H613 VanDerWaalsContact NH2-CE1 3.32Å; R564-H613 PolarHBondContact NH2-NE2 3.25Å
565	I	97.4	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115	-175.6	-61.2	166.5	0	0	0	108.7	E501 V502 V504 F510 V512 M534 P562 V567 F578 F579	E501-I565 CarbonylContact C-O 3.55Å; E501-I565 WeakPolarHBondContact CA-O 3.42Å; V502-I565 PolarHBondContact N-O 3.27Å; V502-I565 PolarHBondContact O-N 3.05Å; V504-I565 HydrophobicContact CG2-CD1 4.5Å; F510-I565 HydrophobicContact CE2-CD1 3.39Å; F510-I565 HydrophobicContact CZ-CD1 3.38Å; V512-I565 HydrophobicContact CG2-CD1 4.26Å; V512-I565 HydrophobicContact CG2-CG2 4.22Å; M534-I565 HydrophobicContact CE-CD1 3.9Å; M534-I565 HydrophobicContact CE-CG1 4.48Å; M534-I565 HydrophobicContact SD-CD1 4.11Å; M534-I565 HydrophobicContact SD-CG2 4.1Å; P562-I565 HydrophobicContact CB-CG1 3.94Å; P562-I565 HydrophobicContact CG-CD1 4.25Å; P562-I565 HydrophobicContact CG-CG1 3.88Å; I565-V567 HydrophobicContact CG2-CG2 4.37Å; I565-F578 HydrophobicContact CG2-CD1 4.21Å; I565-F579 CarbonylContact C-O 3.45Å; I565-F579 VanDerWaalsContact CA-O 3.31Å; I565-F579 WeakPolarHBondContact CA-O 3.35Å
566	G	97.4	Very high	92.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.5	170.5	0	0	0	0	0	110.4	Y499 F578 F579	Y499-G566 WeakPolarHBondContact OH-CA 3.39Å; G566-F578 CarbonylContact O-C 3.57Å; G566-F578 WeakPolarHBondContact O-CA 3.47Å; G566-F579 PolarHBondContact N-O 3.47Å; G566-F579 PolarHBondContact O-N 2.78Å
567	V	98	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.6	175.7	-173.7	0	0	0	0	108.2	Y499 W500 I565 L576 F578	Y499-V567 WeakPolarHBondContact CA-O 3.44Å; Y499-V567 WeakPolarHBondContact CD2-O 3.42Å; W500-V567 HydrophobicContact CD2-CB 4.14Å; W500-V567 HydrophobicContact CH2-CG1 3.88Å; W500-V567 HydrophobicContact CZ2-CB 3.88Å; W500-V567 HydrophobicContact CZ2-CG1 3.4Å; W500-V567 VanDerWaalsContact CZ2-CG1 3.4Å; W500-V567 PolarHBondContact N-O 2.69Å; W500-V567 VanDerWaalsContact N-O 3.16Å; W500-V567 PolarHBondContact O-N 3.22Å; I565-V567 HydrophobicContact CG2-CG2 4.37Å; V567-L576 HydrophobicContact CG1-CD1 3.72Å; V567-F578 HydrophobicContact CG1-CE1 4.24Å; V567-F578 HydrophobicContact CG2-CD1 4.07Å; V567-F578 HydrophobicContact CG2-CE1 4.04Å
568	A	96.9	Very high	93.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.8	179.2	0	0	0	0	0	110.5	H498 Y499 L576 R577 F579 F623	H498-A568 CarbonylContact O-C 3.53Å; H498-A568 WeakPolarHBondContact O-CA 3.36Å; Y499-A568 HydrophobicContact CD2-CB 4.04Å; A568-L576 CarbonylContact O-C 3.57Å; A568-L576 WeakPolarHBondContact O-CA 3.29Å; A568-R577 HydrophobicContact CB-CB 4.37Å; A568-R577 PolarHBondContact N-O 3.41Å; A568-R577 PolarHBondContact O-N 2.77Å; A568-F579 HydrophobicContact CB-CE2 3.83Å; A568-F623 HydrophobicContact CB-CE1 3.93Å; A568-F623 HydrophobicContact CB-CZ 3.97Å
569	L	96.1	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	175.7	173.2	67.9	0	0	0	109	I492 R497 H498 W500 Y571 L576 F594 V598	I492-L569 HydrophobicContact CD1-CD2 4.07Å; R497-L569 CarbonylContact C-O 3.57Å; R497-L569 WeakPolarHBondContact CA-O 3.35Å; H498-L569 HydrophobicContact CB-CB 4.26Å; H498-L569 PolarHBondContact N-O 3.25Å; H498-L569 PolarHBondContact O-N 2.95Å; W500-L569 HydrophobicContact CH2-CB 4.39Å; W500-L569 HydrophobicContact CZ3-CB 4.3Å; L569-Y571 HydrophobicContact CD2-CD2 4.07Å; L569-Y571 HydrophobicContact CD2-CE2 3.48Å; L569-Y571 VanDerWaalsContact CD2-CE2 3.48Å; L569-Y571 HydrophobicContact CG-CD2 4.22Å; L569-Y571 HydrophobicContact CG-CE2 4.12Å; L569-L576 HydrophobicContact CB-CD1 4.2Å; L569-L576 HydrophobicContact CD1-CD1 4.34Å; L569-F594 HydrophobicContact CD1-CD2 3.91Å; L569-F594 HydrophobicContact CD1-CE2 3.5Å; L569-F594 HydrophobicContact CD1-CZ 3.94Å; L569-V598 HydrophobicContact CD2-CG2 3.48Å; L569-V598 VanDerWaalsContact CD2-CG2 3.48Å
570	D	94	Very high	94.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.2	173.4	-172.7	-36.8	0	0	0	108	R497 D572 R573 G574 T575 F623	R497-D570 HydrophobicContact CG-CB 4.46Å; R497-D570 IonicContact NE-OD2 3.19Å; R497-D570 PolarHBondContact NE-OD2 3.22Å; D570-D572 VanDerWaalsContact C-N 3.34Å; D570-D572 PolarHBondContact OD1-N 2.82Å; D570-R573 HydrophobicContact CB-CB 4.29Å; D570-R573 PolarHBondContact OD1-N 2.81Å; D570-R573 WeakPolarHBondContact OD2-CD 3.37Å; D570-G574 WeakPolarHBondContact O-CA 3.49Å; D570-G574 PolarHBondContact O-N 2.88Å; D570-T575 PolarHBondContact N-O 2.94Å; D570-T575 PolarHBondContact O-N 3.36Å; D570-F623 HydrophobicContact CB-CD1 4.26Å; D570-F623 HydrophobicContact CB-CE1 4.16Å
571	Y	92.7	Very high	94.8	Very high	14 Å²	14	26.1 Å²	26.1	6%	0.055	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.9	179.1	-85.8	-74.9	0	0	0	112.6	I492 V494 R495 G496 H498 L569 G574 F594 Y597 V598	I492-Y571 HydrophobicContact CG2-CE2 4.12Å; V494-Y571 WeakPolarHBondContact O-CD2 3.24Å; V494-Y571 WeakPolarHBondContact O-CE2 3.48Å; R495-Y571 HydrophobicContact CB-CG 4.25Å; R495-Y571 HydrophobicContact CG-CD1 4.4Å; R495-Y571 HydrophobicContact CG-CG 4.36Å; G496-Y571 PolarHBondContact O-N 3.42Å; G496-Y571 VanDerWaalsContact O-N 3.14Å; H498-Y571 AromaticContact CD2-CD2 3.93Å; H498-Y571 AromaticContact CD2-CE2 3.99Å; H498-Y571 AromaticContact NE2-CD2 3.98Å; L569-Y571 HydrophobicContact CD2-CD2 4.07Å; L569-Y571 HydrophobicContact CD2-CE2 3.48Å; L569-Y571 VanDerWaalsContact CD2-CE2 3.48Å; L569-Y571 HydrophobicContact CG-CD2 4.22Å; L569-Y571 HydrophobicContact CG-CE2 4.12Å; Y571-G574 PolarHBondContact O-N 2.86Å; Y571-F594 HydrophobicContact CD1-CB 3.93Å; Y571-F594 HydrophobicContact CD1-CD2 4.42Å; Y571-F594 HydrophobicContact CE1-CB 3.75Å; Y571-F594 HydrophobicContact CE1-CG 4.32Å; Y571-Y597 WeakPolarHBondContact OH-CA 3.41Å; Y571-V598 WeakPolarHBondContact OH-CG2 3.46Å; Y571-V598 PolarHBondContact OH-N 3.26Å
572	D	90.7	Very high	94.9	Very high	119 Å²	119	29.8 Å²	29.8	64%	0.636	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-42.1	-175	-64.7	-34	0	0	0	111.4	D570 G574	D570-D572 VanDerWaalsContact C-N 3.34Å; D570-D572 PolarHBondContact OD1-N 2.82Å; D572-G574 VanDerWaalsContact C-N 3.35Å
573	R	92.5	Very high	95	Very high	147 Å²	147	34.1 Å²	34.1	56%	0.555	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.5	176	-65.2	-172.7	166.7	-157.1	1.5	113	D570 T575	D570-R573 HydrophobicContact CB-CB 4.29Å; D570-R573 PolarHBondContact OD1-N 2.81Å; D570-R573 WeakPolarHBondContact OD2-CD 3.37Å; R573-T575 HydrophobicContact CB-CG2 4.28Å
574	G	94.6	Very high	95.2	Very high	10 Å²	10	37 Å²	37	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	46.8	-176.5	0	0	0	0	0	111.9	D570 Y571 D572 C592	D570-G574 WeakPolarHBondContact O-CA 3.49Å; D570-G574 PolarHBondContact O-N 2.88Å; Y571-G574 PolarHBondContact O-N 2.86Å; D572-G574 VanDerWaalsContact C-N 3.35Å; G574-C592 CarbonylContact C-O 3.51Å; G574-C592 WeakPolarHBondContact CA-O 3.32Å; G574-C592 CarbonylContact O-C 3.53Å; G574-C592 PolarHBondContact O-N 3.05Å
575	T	96.6	Very high	95.2	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139	-178.2	60.2	0	0	0	0	112.3	D570 R573 T589 F590	D570-T575 PolarHBondContact N-O 2.94Å; D570-T575 PolarHBondContact O-N 3.36Å; R573-T575 HydrophobicContact CB-CG2 4.28Å; T575-T589 HydrophobicContact CG2-CG2 4.09Å; T575-F590 WeakPolarHBondContact CA-O 3.33Å
576	L	97.8	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.1	165.4	178.8	71.3	0	0	0	108.4	V514 W532 V567 A568 L569 F578 T589 F590 F594	V514-L576 HydrophobicContact CG1-CD1 3.95Å; V514-L576 HydrophobicContact CG1-CD2 4.44Å; V514-L576 HydrophobicContact CG2-CD1 4.34Å; V514-L576 HydrophobicContact CG2-CD2 3.64Å; W532-L576 HydrophobicContact CB-CD2 3.69Å; V567-L576 HydrophobicContact CG1-CD1 3.72Å; A568-L576 CarbonylContact O-C 3.57Å; A568-L576 WeakPolarHBondContact O-CA 3.29Å; L569-L576 HydrophobicContact CB-CD1 4.2Å; L569-L576 HydrophobicContact CD1-CD1 4.34Å; L576-F578 HydrophobicContact CD2-CE2 3.86Å; L576-F578 HydrophobicContact CD2-CZ 3.83Å; L576-F578 HydrophobicContact CG-CE2 3.88Å; L576-F578 HydrophobicContact CG-CZ 4.11Å; L576-T589 CarbonylContact O-C 3.57Å; L576-T589 WeakPolarHBondContact O-CA 3.26Å; L576-F590 HydrophobicContact CB-CB 4.33Å; L576-F590 HydrophobicContact CB-CD2 4.47Å; L576-F590 HydrophobicContact CD2-CD2 4Å; L576-F590 HydrophobicContact CG-CD2 4.48Å; L576-F590 PolarHBondContact N-O 3.32Å; L576-F590 PolarHBondContact O-N 2.93Å; L576-F594 HydrophobicContact CB-CZ 4Å
577	R	97.3	Very high	95	Very high	58 Å²	58	43 Å²	43	22%	0.219	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.1	-173.3	-44.7	178.9	90.1	168.7	6.5	110.1	A568 F579 H588 T589 T622 I624	A568-R577 HydrophobicContact CB-CB 4.37Å; A568-R577 PolarHBondContact N-O 3.41Å; A568-R577 PolarHBondContact O-N 2.77Å; R577-F579 HydrophobicContact CB-CD2 4.46Å; R577-F579 HydrophobicContact CB-CE2 3.55Å; R577-F579 HydrophobicContact CB-CZ 3.85Å; R577-H588 WeakPolarHBondContact CA-O 3.11Å; R577-T589 HydrophobicContact CG-CG2 3.91Å; R577-T589 WeakPolarHBondContact CG-OG1 3.29Å; R577-T589 PolarHBondContact NE-OG1 2.73Å; R577-T622 PolarHBondContact NH1-O 3.17Å; R577-I624 PolarHBondContact NH1-O 2.85Å; R577-I624 PolarHBondContact NH2-O 3.41Å
578	F	97.7	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140	176.7	-64.2	-93.4	0	0	0	109.9	V512 M534 F547 I565 G566 V567 L576 L587 H588 F590	V512-F578 HydrophobicContact CG2-CE1 4.24Å; V512-F578 WeakPolarHBondContact O-CE1 3.26Å; M534-F578 HydrophobicContact CB-CD1 3.81Å; M534-F578 HydrophobicContact CB-CE1 3.77Å; M534-F578 HydrophobicContact CB-CG 4.32Å; M534-F578 HydrophobicContact CB-CZ 4.24Å; M534-F578 HydrophobicContact SD-CB 4.38Å; M534-F578 HydrophobicContact SD-CD1 4.18Å; M534-F578 HydrophobicContact SD-CG 4.46Å; F547-F578 AromaticContact CD1-CD2 3.93Å; F547-F578 HydrophobicContact CD1-CD2 3.93Å; F547-F578 HydrophobicContact CD1-CE2 4.32Å; F547-F578 HydrophobicContact CD1-CG 4.36Å; F547-F578 HydrophobicContact CE1-CB 3.82Å; F547-F578 AromaticContact CE1-CD2 3.8Å; F547-F578 HydrophobicContact CE1-CD2 3.8Å; F547-F578 AromaticContact CE1-CG 3.8Å; F547-F578 HydrophobicContact CE1-CG 3.8Å; I565-F578 HydrophobicContact CG2-CD1 4.21Å; G566-F578 CarbonylContact O-C 3.57Å; G566-F578 WeakPolarHBondContact O-CA 3.47Å; V567-F578 HydrophobicContact CG1-CE1 4.24Å; V567-F578 HydrophobicContact CG2-CD1 4.07Å; V567-F578 HydrophobicContact CG2-CE1 4.04Å; L576-F578 HydrophobicContact CD2-CE2 3.86Å; L576-F578 HydrophobicContact CD2-CZ 3.83Å; L576-F578 HydrophobicContact CG-CE2 3.88Å; L576-F578 HydrophobicContact CG-CZ 4.11Å; F578-L587 HydrophobicContact CB-CB 4.29Å; F578-L587 WeakPolarHBondContact O-CB 3.34Å; F578-L587 PolarHBondContact O-N 3.14Å; F578-H588 PolarHBondContact N-O 2.93Å; F578-H588 PolarHBondContact O-N 3.16Å; F578-F590 HydrophobicContact CD2-CE2 4.46Å; F578-F590 AromaticContact CE2-CD2 3.74Å; F578-F590 HydrophobicContact CE2-CD2 3.74Å; F578-F590 AromaticContact CE2-CE2 3.59Å; F578-F590 HydrophobicContact CE2-CE2 3.59Å; F578-F590 HydrophobicContact CZ-CE2 4.29Å
579	F	96.3	Very high	94.9	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.3	-177.5	-59.6	-92.2	0	0	0	111.1	I565 G566 A568 R577 A581 Q585 H586 Y621 T622	I565-F579 CarbonylContact C-O 3.45Å; I565-F579 VanDerWaalsContact CA-O 3.31Å; I565-F579 WeakPolarHBondContact CA-O 3.35Å; G566-F579 PolarHBondContact N-O 3.47Å; G566-F579 PolarHBondContact O-N 2.78Å; A568-F579 HydrophobicContact CB-CE2 3.83Å; R577-F579 HydrophobicContact CB-CD2 4.46Å; R577-F579 HydrophobicContact CB-CE2 3.55Å; R577-F579 HydrophobicContact CB-CZ 3.85Å; F579-A581 PolarHBondContact O-N 3.32Å; F579-Q585 CarbonylContact C-O 3.54Å; F579-Q585 VanDerWaalsContact CA-O 3.28Å; F579-Q585 WeakPolarHBondContact CA-O 3.39Å; F579-H586 HydrophobicContact CD1-CB 4.07Å; F579-H586 HydrophobicContact CE1-CB 3.94Å; F579-H586 AromaticContact CE1-CD2 3.9Å; F579-Y621 HydrophobicContact CB-CE2 4.21Å; F579-Y621 AromaticContact CD1-CD2 3.85Å; F579-Y621 HydrophobicContact CD1-CD2 3.85Å; F579-Y621 AromaticContact CD1-CE2 3.73Å; F579-Y621 HydrophobicContact CD1-CE2 3.73Å; F579-Y621 AromaticContact CE1-CD2 3.97Å; F579-Y621 HydrophobicContact CE1-CD2 3.97Å; F579-Y621 HydrophobicContact CE1-CE2 4.25Å; F579-Y621 HydrophobicContact CG-CD2 4.48Å; F579-Y621 AromaticContact CG-CE2 3.95Å; F579-Y621 HydrophobicContact CG-CE2 3.95Å; F579-T622 HydrophobicContact CD2-CG2 4.36Å; F579-T622 HydrophobicContact CE2-CG2 4.18Å; F579-T622 HydrophobicContact CZ-CG2 4.49Å; F579-T622 WeakPolarHBondContact CZ-O 3.23Å
580	N	95.2	Very high	94.9	Very high	3 Å²	3	46 Å²	46	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	105.8	156.5	-178.4	-28	0	0	0	106.9	P562 N582 L583 E584 Q585 L587	P562-N580 HydrophobicContact CB-CB 3.86Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 3.24Å; N580-N582 PolarHBondContact OD1-N 3.19Å; N580-L583 HydrophobicContact CB-CB 4.42Å; N580-L583 PolarHBondContact O-N 3.32Å; N580-L583 PolarHBondContact OD1-N 2.81Å; N580-E584 PolarHBondContact O-N 3.01Å; N580-Q585 HydrophobicContact CB-CB 4.23Å; N580-Q585 PolarHBondContact N-O 2.84Å; N580-Q585 PolarHBondContact O-N 2.89Å; N580-Q585 VanDerWaalsContact O-N 3.08Å; N580-L587 HydrophobicContact CB-CD1 4.42Å; N580-L587 HydrophobicContact CB-CD2 4.13Å; N580-L587 HydrophobicContact CB-CG 4.44Å
581	A	94.3	Very high	95	Very high	15 Å²	15	53.3 Å²	53.3	12%	0.124	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-66.1	-35.5	-172.7	0	0	0	0	0	112.1	E501 R564 F579 L583 E584	E501-A581 HydrophobicContact CG-CB 4.46Å; R564-A581 HydrophobicContact CB-CB 4.12Å; R564-A581 HydrophobicContact CG-CB 3.85Å; R564-A581 PolarHBondContact O-N 2.89Å; F579-A581 PolarHBondContact O-N 3.32Å; A581-L583 VanDerWaalsContact C-N 3.32Å; A581-L583 PolarHBondContact O-N 2.76Å; A581-E584 PolarHBondContact O-N 2.69Å
582	N	92.4	Very high	94.8	Very high	108 Å²	108	54 Å²	54	58%	0.578	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-68	-30.6	179.3	-64.4	79.4	0	0	0	113.6	R564 N580	R564-N582 VanDerWaalsContact CB-OD1 3.24Å; R564-N582 WeakPolarHBondContact CB-OD1 3.43Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 3.24Å; N580-N582 PolarHBondContact OD1-N 3.19Å
583	L	93.3	Very high	94.8	Very high	91 Å²	91	57.8 Å²	57.8	48%	0.476	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-102.6	0.9	-178.9	-61.9	-175.2	0	0	0	113.1	V560 N580 A581 Q585	V560-L583 HydrophobicContact CB-CD1 4Å; V560-L583 HydrophobicContact CG1-CD1 3.86Å; V560-L583 HydrophobicContact CG2-CD1 4.32Å; N580-L583 HydrophobicContact CB-CB 4.42Å; N580-L583 PolarHBondContact O-N 3.32Å; N580-L583 PolarHBondContact OD1-N 2.81Å; A581-L583 VanDerWaalsContact C-N 3.32Å; A581-L583 PolarHBondContact O-N 2.76Å; L583-Q585 HydrophobicContact CB-CB 3.95Å; L583-Q585 PolarHBondContact O-N 2.74Å
584	E	93.6	Very high	94.8	Very high	133 Å²	133	51 Å²	51	62%	0.621	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	33	-172	-52.1	-175.1	178.5	0	0	112	N580 A581 Y621	N580-E584 PolarHBondContact O-N 3.01Å; A581-E584 PolarHBondContact O-N 2.69Å; E584-Y621 HydrophobicContact CB-CD1 3.79Å; E584-Y621 HydrophobicContact CB-CE1 3.67Å; E584-Y621 HydrophobicContact CB-CG 4.32Å; E584-Y621 HydrophobicContact CG-CD1 3.91Å; E584-Y621 HydrophobicContact CG-CE1 3.49Å; E584-Y621 VanDerWaalsContact CG-CE1 3.49Å
585	Q	93.9	Very high	94.5	Very high	80 Å²	80	56.7 Å²	56.7	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	-169.3	-177.4	-176.9	24.6	0	0	110.1	F579 N580 L583 L587	F579-Q585 CarbonylContact C-O 3.54Å; F579-Q585 VanDerWaalsContact CA-O 3.28Å; F579-Q585 WeakPolarHBondContact CA-O 3.39Å; N580-Q585 HydrophobicContact CB-CB 4.23Å; N580-Q585 PolarHBondContact N-O 2.84Å; N580-Q585 PolarHBondContact O-N 2.89Å; N580-Q585 VanDerWaalsContact O-N 3.08Å; L583-Q585 HydrophobicContact CB-CB 3.95Å; L583-Q585 PolarHBondContact O-N 2.74Å; Q585-L587 PolarHBondContact O-N 3.1Å
586	H	95.3	Very high	94.3	Very high	86 Å²	86	60 Å²	60	40%	0.398	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	131	168.5	175.4	-98.4	0	0	0	111.1	F579 H588 T589	F579-H586 HydrophobicContact CD1-CB 4.07Å; F579-H586 HydrophobicContact CE1-CB 3.94Å; F579-H586 AromaticContact CE1-CD2 3.9Å; H586-H588 VanDerWaalsContact NE2-C 3.25Å; H586-H588 PolarHBondContact NE2-O 3.31Å; H586-H588 VanDerWaalsContact NE2-O 3.17Å; H586-T589 PolarHBondContact NE2-OG1 3.33Å
587	L	95.2	Very high	94.1	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-55.1	179.7	-57.6	178.4	0	0	0	111.2	M534 F547 L556 I558 P562 F578 N580 Q585	M534-L587 HydrophobicContact CE-CD1 4.03Å; M534-L587 HydrophobicContact SD-CD1 4.18Å; F547-L587 HydrophobicContact CZ-CB 3.96Å; L556-L587 VanDerWaalsContact CD2-O 3.25Å; L556-L587 WeakPolarHBondContact CD2-O 3.41Å; I558-L587 HydrophobicContact CD1-CB 4.35Å; I558-L587 HydrophobicContact CD1-CD1 4.04Å; I558-L587 HydrophobicContact CD1-CD2 3.96Å; I558-L587 HydrophobicContact CD1-CG 4.34Å; I558-L587 HydrophobicContact CG1-CD2 4.38Å; I558-L587 HydrophobicContact CG2-CD2 4.33Å; P562-L587 HydrophobicContact CG-CD1 4.25Å; F578-L587 HydrophobicContact CB-CB 4.29Å; F578-L587 WeakPolarHBondContact O-CB 3.34Å; F578-L587 PolarHBondContact O-N 3.14Å; N580-L587 HydrophobicContact CB-CD1 4.42Å; N580-L587 HydrophobicContact CB-CD2 4.13Å; N580-L587 HydrophobicContact CB-CG 4.44Å; Q585-L587 PolarHBondContact O-N 3.1Å
588	H	96.3	Very high	94	Very high	32 Å²	32	61.5 Å²	61.5	15%	0.148	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.4	-177.2	-172	60	0	0	0	112.2	F547 L556 R577 F578 H586 F590	F547-H588 VanDerWaalsContact CB-CD2 3.42Å; F547-H588 WeakPolarHBondContact CB-CD2 3.39Å; F547-H588 HydrophobicContact CD1-CB 3.4Å; F547-H588 VanDerWaalsContact CD1-CB 3.4Å; F547-H588 AromaticContact CD1-CD2 3.54Å; F547-H588 AromaticContact CD1-CG 3.68Å; F547-H588 HydrophobicContact CD2-CB 3.81Å; F547-H588 AromaticContact CD2-CG 3.93Å; F547-H588 HydrophobicContact CE1-CB 3.36Å; F547-H588 HydrophobicContact CE2-CB 3.8Å; F547-H588 HydrophobicContact CG-CB 3.62Å; F547-H588 AromaticContact CG-CD2 3.46Å; F547-H588 VanDerWaalsContact CG-CD2 3.46Å; F547-H588 WeakPolarHBondContact CG-CD2 3.48Å; F547-H588 AromaticContact CG-CG 3.53Å; F547-H588 HydrophobicContact CZ-CB 3.56Å; L556-H588 HydrophobicContact CD2-CB 4.48Å; R577-H588 WeakPolarHBondContact CA-O 3.11Å; F578-H588 PolarHBondContact N-O 2.93Å; F578-H588 PolarHBondContact O-N 3.16Å; H586-H588 VanDerWaalsContact NE2-C 3.25Å; H586-H588 PolarHBondContact NE2-O 3.31Å; H586-H588 VanDerWaalsContact NE2-O 3.17Å; H588-F590 AromaticContact NE2-CD1 3.85Å; H588-F590 AromaticContact NE2-CE1 3.9Å
589	T	96.6	Very high	93.9	Very high	17 Å²	17	61.9 Å²	61.9	10%	0.104	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.1	172.3	-64.6	0	0	0	0	111	T575 L576 R577 H586 H591	T575-T589 HydrophobicContact CG2-CG2 4.09Å; L576-T589 CarbonylContact O-C 3.57Å; L576-T589 WeakPolarHBondContact O-CA 3.26Å; R577-T589 HydrophobicContact CG-CG2 3.91Å; R577-T589 WeakPolarHBondContact CG-OG1 3.29Å; R577-T589 PolarHBondContact NE-OG1 2.73Å; H586-T589 PolarHBondContact NE2-OG1 3.33Å; T589-H591 VanDerWaalsContact CG2-CE1 3.48Å; T589-H591 WeakPolarHBondContact CG2-CE1 3.13Å; T589-H591 PolarHBondContact O-ND1 2.86Å
590	F	97.2	Very high	94	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.066	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.6	160.7	-63.5	-72.9	0	0	0	109.5	W532 F547 H549 T575 L576 F578 H588	W532-F590 HydrophobicContact CB-CD2 3.99Å; W532-F590 HydrophobicContact CB-CE2 4.01Å; W532-F590 HydrophobicContact CB-CG 4.45Å; W532-F590 AromaticContact CD1-CD1 3.94Å; W532-F590 AromaticContact CD1-CG 3.82Å; W532-F590 HydrophobicContact CG-CD2 4.48Å; W532-F590 HydrophobicContact CG-CG 4.49Å; F547-F590 VanDerWaalsContact C-CZ 3.47Å; F547-F590 HydrophobicContact CB-CE1 4.25Å; F547-F590 HydrophobicContact CB-CE2 4.35Å; F547-F590 HydrophobicContact CB-CZ 3.71Å; F547-F590 HydrophobicContact CD1-CE2 4.48Å; H549-F590 HydrophobicContact CB-CD1 4.43Å; H549-F590 HydrophobicContact CB-CE1 3.96Å; T575-F590 WeakPolarHBondContact CA-O 3.33Å; L576-F590 HydrophobicContact CB-CB 4.33Å; L576-F590 HydrophobicContact CB-CD2 4.47Å; L576-F590 HydrophobicContact CD2-CD2 4Å; L576-F590 HydrophobicContact CG-CD2 4.48Å; L576-F590 PolarHBondContact N-O 3.32Å; L576-F590 PolarHBondContact O-N 2.93Å; F578-F590 HydrophobicContact CD2-CE2 4.46Å; F578-F590 AromaticContact CE2-CD2 3.74Å; F578-F590 HydrophobicContact CE2-CD2 3.74Å; F578-F590 AromaticContact CE2-CE2 3.59Å; F578-F590 HydrophobicContact CE2-CE2 3.59Å; F578-F590 HydrophobicContact CZ-CE2 4.29Å; H588-F590 AromaticContact NE2-CD1 3.85Å; H588-F590 AromaticContact NE2-CE1 3.9Å
591	H	95.3	Very high	94.1	Very high	156 Å²	156	61.5 Å²	61.5	72%	0.722	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	105.2	170.9	-63.2	79.8	0	0	0	107.2	T589	T589-H591 VanDerWaalsContact CG2-CE1 3.48Å; T589-H591 WeakPolarHBondContact CG2-CE1 3.13Å; T589-H591 PolarHBondContact O-ND1 2.86Å
592	C	89.8	Confident	94.3	Very high	28 Å²	28	60.8 Å²	60.8	19%	0.189	28%	0.284	C	S	.	.			trans	-146.1	131.2	-178.9	-170.9	0	0	0	0	110	W532 G574 F594	W532-C592 HydrophobicContact CZ2-CB 4.3Å; W532-C592 WeakPolarHBondContact CZ2-SG 3.2Å; G574-C592 CarbonylContact C-O 3.51Å; G574-C592 WeakPolarHBondContact CA-O 3.32Å; G574-C592 CarbonylContact O-C 3.53Å; G574-C592 PolarHBondContact O-N 3.05Å; C592-F594 HydrophobicContact CB-CE1 4.4Å; C592-F594 HydrophobicContact CB-CZ 4.29Å; C592-F594 WeakPolarHBondContact O-CD2 3.48Å; C592-F594 PolarHBondContact O-N 3.13Å
593	R	90.4	Very high	94.4	Very high	199 Å²	199	55.6 Å²	55.6	75%	0.751	26%	0.257	S	S	*	.			trans	-77	105.1	167.3	-171.4	174.8	-176.7	166	0.7	108.3	H595	R593-H595 PolarHBondContact O-CE1 3.13Å; R593-H595 VanDerWaalsContact O-CE1 3.3Å; R593-H595 PolarHBondContact O-N 3Å; R593-H595 PolarHBondContact O-ND1 3.07Å
594	F	91.5	Very high	94.5	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	23%	0.234	C	C	.	.			trans	-69.4	114	176	-60.1	-76.9	0	0	0	110.1	R495 V514 Y516 W532 L569 Y571 L576 C592 V598	R495-F594 PolarHBondContact NH1-O 3.5Å; R495-F594 VanDerWaalsContact NH1-O 3.13Å; V514-F594 HydrophobicContact CG2-CE1 4.18Å; Y516-F594 HydrophobicContact CE1-CD1 4.23Å; Y516-F594 WeakPolarHBondContact OH-CA 3.47Å; W532-F594 AromaticContact CD2-CE1 3.94Å; W532-F594 HydrophobicContact CD2-CE1 3.94Å; W532-F594 HydrophobicContact CE3-CD1 4.44Å; W532-F594 AromaticContact CE3-CE1 3.78Å; W532-F594 HydrophobicContact CE3-CE1 3.78Å; W532-F594 HydrophobicContact CH2-CD1 4.22Å; W532-F594 HydrophobicContact CH2-CE1 4.18Å; W532-F594 HydrophobicContact CZ2-CE1 4.31Å; W532-F594 HydrophobicContact CZ3-CD1 4.12Å; W532-F594 AromaticContact CZ3-CE1 3.9Å; W532-F594 HydrophobicContact CZ3-CE1 3.9Å; L569-F594 HydrophobicContact CD1-CD2 3.91Å; L569-F594 HydrophobicContact CD1-CE2 3.5Å; L569-F594 HydrophobicContact CD1-CZ 3.94Å; Y571-F594 HydrophobicContact CD1-CB 3.93Å; Y571-F594 HydrophobicContact CD1-CD2 4.42Å; Y571-F594 HydrophobicContact CE1-CB 3.75Å; Y571-F594 HydrophobicContact CE1-CG 4.32Å; L576-F594 HydrophobicContact CB-CZ 4Å; C592-F594 HydrophobicContact CB-CE1 4.4Å; C592-F594 HydrophobicContact CB-CZ 4.29Å; C592-F594 WeakPolarHBondContact O-CD2 3.48Å; C592-F594 PolarHBondContact O-N 3.13Å; F594-V598 HydrophobicContact CD1-CG1 3.77Å; F594-V598 HydrophobicContact CE1-CG1 4.29Å; F594-V598 HydrophobicContact CG-CG1 4.34Å
595	H	89	Confident	94.4	Very high	130 Å²	130	46.8 Å²	46.8	60%	0.602	21%	0.214	S	C	*	.			trans	-80.3	-37.2	-178.5	-66.9	85.2	0	0	0	110.6	R495 Y516 R593	R495-H595 PolarHBondContact NH2-O 2.82Å; Y516-H595 PolarHBondContact OH-N 2.98Å; R593-H595 PolarHBondContact O-CE1 3.13Å; R593-H595 VanDerWaalsContact O-CE1 3.3Å; R593-H595 PolarHBondContact O-N 3Å; R593-H595 PolarHBondContact O-ND1 3.07Å
596	N	91.9	Very high	94.3	Very high	87 Å²	87	44.8 Å²	44.8	47%	0.465	21%	0.206	S	C	.	.	S	Bend	trans	-111.4	167.1	176.7	-61.8	-30.5	0	0	0	111.1	Y516	Y516-N596 HydrophobicContact CD1-CB 3.82Å; Y516-N596 HydrophobicContact CE1-CB 3.86Å; Y516-N596 WeakPolarHBondContact CE1-O 3.48Å; Y516-N596 HydrophobicContact CG-CB 4.39Å
597	Y	93.3	Very high	94.1	Very high	88 Å²	88	43.1 Å²	43.1	35%	0.345	20%	0.203	S	C	.	.			trans	-66.7	152.4	167.3	-65.1	-65.7	0	0	0	110.1	I492 P493 R495 Y571	I492-Y597 WeakPolarHBondContact O-CB 3.41Å; I492-Y597 WeakPolarHBondContact O-CD1 3.47Å; P493-Y597 VanDerWaalsContact C-CE1 3.44Å; P493-Y597 VanDerWaalsContact O-CE1 3.27Å; P493-Y597 WeakPolarHBondContact O-CE1 3.22Å; R495-Y597 HydrophobicContact CG-CD1 4.48Å; R495-Y597 HydrophobicContact CG-CE1 3.6Å; Y571-Y597 WeakPolarHBondContact OH-CA 3.41Å
598	V	95.7	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-118.5	148.9	-174.7	-51.8	0	0	0	0	110.1	I492 V514 A515 Y516 L569 Y571 F594	I492-V598 PolarHBondContact N-O 3.05Å; V514-V598 HydrophobicContact CB-CB 3.95Å; V514-V598 HydrophobicContact CB-CG2 3.67Å; V514-V598 HydrophobicContact CG1-CG2 3.86Å; V514-V598 HydrophobicContact CG2-CB 4.22Å; V514-V598 HydrophobicContact CG2-CG1 4.31Å; V514-V598 HydrophobicContact CG2-CG2 4.07Å; A515-V598 CarbonylContact O-C 3.5Å; A515-V598 WeakPolarHBondContact O-CA 3.04Å; Y516-V598 HydrophobicContact CD1-CG1 3.8Å; Y516-V598 HydrophobicContact CE1-CG1 3.72Å; L569-V598 HydrophobicContact CD2-CG2 3.48Å; L569-V598 VanDerWaalsContact CD2-CG2 3.48Å; Y571-V598 WeakPolarHBondContact OH-CG2 3.46Å; Y571-V598 PolarHBondContact OH-N 3.26Å; F594-V598 HydrophobicContact CD1-CG1 3.77Å; F594-V598 HydrophobicContact CE1-CG1 4.29Å; F594-V598 HydrophobicContact CG-CG1 4.34Å
599	H	96.5	Very high	93.8	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.9	165.8	-65.1	-97.2	0	0	0	108.8	L488 G489 L491 V514 A515 C601	L488-H599 HydrophobicContact CB-CB 4.11Å; L488-H599 HydrophobicContact CD1-CB 4.05Å; L488-H599 HydrophobicContact CD2-CB 4.25Å; L488-H599 HydrophobicContact CG-CB 4.37Å; G489-H599 PolarHBondContact O-ND1 3.05Å; L491-H599 VanDerWaalsContact CD1-NE2 3.29Å; L491-H599 WeakPolarHBondContact CD1-NE2 3.25Å; L491-H599 PolarHBondContact N-CE1 2.7Å; L491-H599 PolarHBondContact N-ND1 2.79Å; V514-H599 CarbonylContact C-O 3.27Å; V514-H599 WeakPolarHBondContact CA-O 3.49Å; A515-H599 PolarHBondContact N-O 2.96Å; A515-H599 PolarHBondContact O-N 3.38Å; H599-C601 PolarHBondContact O-N 2.62Å
600	P	97.4	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	138.2	158.1	-22.8	35.3	0	0	0	109.1	F442 L488 G489 D490 I492 W500 F602	F442-P600 HydrophobicContact CD1-CG 4.11Å; F442-P600 HydrophobicContact CD2-CB 4.45Å; F442-P600 HydrophobicContact CD2-CG 4.01Å; F442-P600 HydrophobicContact CE1-CB 4.45Å; F442-P600 HydrophobicContact CE1-CG 3.83Å; F442-P600 HydrophobicContact CE2-CB 3.79Å; F442-P600 HydrophobicContact CE2-CG 3.73Å; F442-P600 HydrophobicContact CG-CG 4.2Å; F442-P600 HydrophobicContact CZ-CB 3.78Å; F442-P600 HydrophobicContact CZ-CG 3.64Å; L488-P600 CarbonylContact C-O 3.58Å; L488-P600 WeakPolarHBondContact CA-O 3.49Å; G489-P600 PolarHBondContact N-O 2.88Å; D490-P600 VanDerWaalsContact O-CD 3.26Å; D490-P600 WeakPolarHBondContact O-CD 3.26Å; I492-P600 HydrophobicContact CD1-CG 3.93Å; I492-P600 HydrophobicContact CG1-CG 4.31Å; W500-P600 HydrophobicContact CH2-CG 4.3Å; W500-P600 HydrophobicContact CZ2-CB 3.97Å; W500-P600 HydrophobicContact CZ2-CG 4.17Å; P600-F602 HydrophobicContact CB-CE2 3.72Å; P600-F602 HydrophobicContact CB-CZ 3.72Å
601	C	97.3	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.4	179.9	69.1	0	0	0	0	111.2	L488 G513 V514 A515 L525 H599	L488-C601 HydrophobicContact CD2-CB 3.51Å; G513-C601 PolarHBondContact N-O 2.91Å; G513-C601 PolarHBondContact O-N 2.82Å; V514-C601 VanDerWaalsContact C-SG 3.58Å; V514-C601 PolarHBondContact N-SG 2.85Å; V514-C601 VanDerWaalsContact N-SG 3.42Å; A515-C601 HydrophobicContact CB-CB 4.08Å; L525-C601 HydrophobicContact CD1-CB 3.89Å; L525-C601 HydrophobicContact CD2-CB 4.19Å; H599-C601 PolarHBondContact O-N 2.62Å
602	F	97.6	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.3	-175.8	-48.1	-80.4	0	0	0	109.9	F442 L444 I462 A486 I487 W500 V502 R511 V512 P600 L610 V612	F442-F602 HydrophobicContact CE2-CE2 4.09Å; F442-F602 HydrophobicContact CE2-CZ 4.17Å; F442-F602 HydrophobicContact CZ-CZ 4.15Å; L444-F602 HydrophobicContact CD2-CD2 3.65Å; L444-F602 HydrophobicContact CD2-CE2 3.57Å; I462-F602 HydrophobicContact CD1-CB 4.05Å; A486-F602 CarbonylContact C-O 3.6Å; A486-F602 WeakPolarHBondContact CA-O 3.43Å; A486-F602 WeakPolarHBondContact CB-O 3.35Å; I487-F602 HydrophobicContact CG2-CB 4.08Å; I487-F602 HydrophobicContact CG2-CD2 4.41Å; I487-F602 PolarHBondContact N-O 3.45Å; I487-F602 PolarHBondContact O-N 2.86Å; W500-F602 AromaticContact NE1-CE1 3.92Å; W500-F602 AromaticContact NE1-CZ 3.84Å; V502-F602 HydrophobicContact CG2-CD1 4.27Å; V502-F602 HydrophobicContact CG2-CE1 3.66Å; R511-F602 CarbonylContact O-C 3.53Å; R511-F602 WeakPolarHBondContact O-CA 3.42Å; V512-F602 HydrophobicContact CG1-CD1 4.18Å; P600-F602 HydrophobicContact CB-CE2 3.72Å; P600-F602 HydrophobicContact CB-CZ 3.72Å; F602-L610 HydrophobicContact CB-CD2 4.38Å; F602-L610 HydrophobicContact CD1-CD2 4.05Å; F602-L610 HydrophobicContact CG-CD2 4.34Å; F602-V612 HydrophobicContact CD1-CG2 4.18Å; F602-V612 HydrophobicContact CD2-CG2 4.32Å; F602-V612 HydrophobicContact CE1-CG2 3.82Å; F602-V612 HydrophobicContact CE2-CG2 3.96Å; F602-V612 HydrophobicContact CG-CG2 4.42Å; F602-V612 HydrophobicContact CZ-CG1 4.21Å; F602-V612 HydrophobicContact CZ-CG2 3.69Å
603	S	96	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.4	176.1	-176	0	0	0	0	111.2	C484 V485 F510 R511	C484-S603 PolarHBondContact SG-OG 3.41Å; V485-S603 CarbonylContact O-C 3.54Å; V485-S603 WeakPolarHBondContact O-CA 3.09Å; V485-S603 WeakPolarHBondContact O-CB 3.2Å; V485-S603 PolarHBondContact O-OG 3.46Å; F510-S603 CarbonylContact C-O 3.6Å; F510-S603 WeakPolarHBondContact CA-O 3.31Å; F510-S603 WeakPolarHBondContact CB-O 3.33Å; R511-S603 PolarHBondContact N-O 2.91Å; R511-S603 PolarHBondContact O-N 2.85Å
604	L	94.8	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.4	173.5	-65.3	177.1	0	0	0	108.5	L453 I462 Y464 V485 T508 E509 F510 N606 L610	L453-L604 HydrophobicContact CD2-CD1 3.96Å; L453-L604 HydrophobicContact CD2-CG 4.44Å; I462-L604 HydrophobicContact CD1-CD1 4.25Å; I462-L604 HydrophobicContact CD1-CG 4.15Å; I462-L604 HydrophobicContact CG1-CD1 4.14Å; Y464-L604 HydrophobicContact CD1-CB 4.02Å; Y464-L604 HydrophobicContact CG-CB 4.42Å; V485-L604 WeakPolarHBondContact CB-O 3.4Å; V485-L604 PolarHBondContact O-N 3.13Å; T508-L604 HydrophobicContact CG2-CD2 3.41Å; T508-L604 VanDerWaalsContact CG2-CD2 3.41Å; E509-L604 CarbonylContact O-C 3.45Å; F510-L604 HydrophobicContact CB-CD2 4.28Å; L604-N606 VanDerWaalsContact C-N 3.34Å; L604-L610 HydrophobicContact CD2-CB 3.96Å; L604-L610 HydrophobicContact CD2-CD1 4.49Å
605	D	92.1	Very high	94.1	Very high	39 Å²	39	29.3 Å²	29.3	21%	0.209	16%	0.161	C	C	.	.	S	Bend	trans	-81.9	-17.9	178.5	-80.9	-4.8	0	0	0	110.9	E509 R511 R535	E509-D605 HydrophobicContact CB-CB 3.81Å; E509-D605 PolarHBondContact O-N 2.79Å; R511-D605 IonicContact CZ-OD1 3.44Å; R511-D605 IonicContact CZ-OD2 3.96Å; R511-D605 IonicContact NE-OD1 2.74Å; R511-D605 PolarHBondContact NE-OD1 3.24Å; R511-D605 VanDerWaalsContact NE-OD1 3.13Å; R511-D605 IonicContact NE-OD2 3.13Å; R511-D605 PolarHBondContact NE-OD2 3.44Å; R511-D605 IonicContact NH2-OD1 3.24Å; R511-D605 IonicContact NH2-OD2 3.82Å; R511-D605 PolarHBondContact NH2-OD2 2.94Å; R535-D605 IonicContact CZ-OD2 3.85Å; R535-D605 VanDerWaalsContact CZ-OD2 3.29Å; R535-D605 IonicContact NE-OD2 3.46Å; R535-D605 PolarHBondContact NE-OD2 2.66Å; R535-D605 IonicContact NH2-OD2 3.45Å; R535-D605 PolarHBondContact NH2-OD2 2.94Å
606	N	90.8	Very high	94.2	Very high	38 Å²	38	25.8 Å²	25.8	20%	0.203	15%	0.146	C	C	.	.	S	Bend	trans	-139.3	166.3	173.5	76.3	-17.9	0	0	0	112.1	Y464 E507 T508 E509 L604 G608	Y464-N606 WeakPolarHBondContact CD1-O 3.4Å; E507-N606 PolarHBondContact O-ND2 3.01Å; T508-N606 WeakPolarHBondContact CA-OD1 3.4Å; E509-N606 HydrophobicContact CB-CB 4.31Å; E509-N606 HydrophobicContact CG-CB 4.46Å; E509-N606 PolarHBondContact N-OD1 3.05Å; L604-N606 VanDerWaalsContact C-N 3.34Å; N606-G608 PolarHBondContact O-N 2.83Å
607	P	90.8	Very high	94.1	Very high	50 Å²	50	29 Å²	29	33%	0.325	16%	0.158	S	C	.	.	S	Bend	trans	-56.4	132.7	175	-29.4	39.9	0	0	0	112.1	Y464 D466	Y464-P607 HydrophobicContact CE1-CG 4.43Å; Y464-P607 CarbonylContact O-C 3.14Å; Y464-P607 WeakPolarHBondContact O-CA 3.45Å; Y464-P607 WeakPolarHBondContact O-CB 3.48Å; D466-P607 WeakPolarHBondContact OD1-CB 3.43Å; D466-P607 WeakPolarHBondContact OD1-CG 3.47Å
608	G	91.8	Very high	93.9	Very high	21 Å²	21	26.2 Å²	26.2	22%	0.216	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-170.8	-169.6	0	0	0	0	0	112.8	F463 Y464 N606	F463-G608 WeakPolarHBondContact CA-O 3.43Å; Y464-G608 PolarHBondContact N-O 3.29Å; Y464-G608 PolarHBondContact O-N 3.3Å; N606-G608 PolarHBondContact O-N 2.83Å
609	A	93.4	Very high	93.7	Very high	17 Å²	17	27.8 Å²	27.8	14%	0.14	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.9	-178.8	0	0	0	0	0	112.1	I462 F463	I462-A609 VanDerWaalsContact O-CA 3.31Å; I462-A609 WeakPolarHBondContact O-CA 3.42Å; F463-A609 HydrophobicContact CD1-CB 3.66Å; F463-A609 HydrophobicContact CE1-CB 3.87Å
610	L	95.3	Very high	93.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.7	175.2	176.7	159.3	0	0	0	109.2	T461 I462 V502 V504 F510 V512 F602 L604 V612	T461-L610 WeakPolarHBondContact CA-O 3.11Å; I462-L610 HydrophobicContact CD1-CB 4.36Å; I462-L610 HydrophobicContact CD1-CD2 4.33Å; I462-L610 HydrophobicContact CG1-CB 3.93Å; I462-L610 HydrophobicContact CG1-CD2 4.22Å; I462-L610 PolarHBondContact N-O 3.45Å; I462-L610 PolarHBondContact O-N 2.99Å; V502-L610 HydrophobicContact CG1-CD1 3.65Å; V502-L610 HydrophobicContact CG1-CD2 3.4Å; V502-L610 VanDerWaalsContact CG1-CD2 3.4Å; V502-L610 HydrophobicContact CG1-CG 3.37Å; V504-L610 HydrophobicContact CG1-CB 4.3Å; V504-L610 HydrophobicContact CG1-CD1 3.85Å; V504-L610 HydrophobicContact CG1-CG 3.88Å; F510-L610 HydrophobicContact CB-CD1 4.16Å; V512-L610 HydrophobicContact CG1-CD1 3.86Å; F602-L610 HydrophobicContact CB-CD2 4.38Å; F602-L610 HydrophobicContact CD1-CD2 4.05Å; F602-L610 HydrophobicContact CG-CD2 4.34Å; L604-L610 HydrophobicContact CD2-CB 3.96Å; L604-L610 HydrophobicContact CD2-CD1 4.49Å; L610-V612 HydrophobicContact CD2-CG2 3.87Å
611	T	96.9	Very high	92.7	Very high	38 Å²	38	36.7 Å²	36.7	23%	0.233	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.5	-178.9	-60.2	0	0	0	0	110.6	T461 V502 E503	T461-T611 VanDerWaalsContact CG2-OG1 3.29Å; T461-T611 WeakPolarHBondContact CG2-OG1 3.18Å; T461-T611 WeakPolarHBondContact OG1-CG2 3.32Å; T461-T611 PolarHBondContact OG1-OG1 3.24Å; V502-T611 WeakPolarHBondContact CA-O 3.48Å; E503-T611 PolarHBondContact N-O 3.15Å; E503-T611 PolarHBondContact O-N 3.14Å
612	V	97.3	Very high	92.2	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.4	176.7	-178.7	0	0	0	0	109.6	F442 F460 F602 L610 N614	F442-V612 HydrophobicContact CE2-CG1 4.06Å; F442-V612 HydrophobicContact CZ-CG1 3.81Å; F460-V612 PolarHBondContact O-N 2.74Å; F602-V612 HydrophobicContact CD1-CG2 4.18Å; F602-V612 HydrophobicContact CD2-CG2 4.32Å; F602-V612 HydrophobicContact CE1-CG2 3.82Å; F602-V612 HydrophobicContact CE2-CG2 3.96Å; F602-V612 HydrophobicContact CG-CG2 4.42Å; F602-V612 HydrophobicContact CZ-CG1 4.21Å; F602-V612 HydrophobicContact CZ-CG2 3.69Å; L610-V612 HydrophobicContact CD2-CG2 3.87Å; V612-N614 HydrophobicContact CG1-CB 4.39Å
613	H	95.4	Very high	91.5	Very high	51 Å²	51	38.3 Å²	38.3	24%	0.236	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.1	174.6	-62	-87.8	0	0	0	108.6	E501 E503 R564	E501-H613 HydrophobicContact CB-CB 4.06Å; E501-H613 PolarHBondContact N-O 3.3Å; E501-H613 PolarHBondContact O-N 2.91Å; E503-H613 IonicContact OE2-CD2 3.83Å; E503-H613 IonicContact OE2-CE1 3.13Å; E503-H613 IonicContact OE2-NE2 3.63Å; E503-H613 PolarHBondContact OE2-NE2 3.42Å; R564-H613 PolarHBondContact NH2-CD2 3.19Å; R564-H613 PolarHBondContact NH2-CE1 2.96Å; R564-H613 VanDerWaalsContact NH2-CE1 3.32Å; R564-H613 PolarHBondContact NH2-NE2 3.25Å
614	N	93.4	Very high	90.5	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.118	25%	0.252	C	S	.	.			trans	-129.4	179.2	-178.5	74.7	11.6	0	0	0	111.2	T440 F441 F442 W500 V612 I616	T440-N614 WeakPolarHBondContact O-CB 3.41Å; F441-N614 VanDerWaalsContact CD2-OD1 3.26Å; F441-N614 WeakPolarHBondContact CD2-OD1 3.2Å; F442-N614 HydrophobicContact CD1-CB 4.33Å; F442-N614 HydrophobicContact CE1-CB 3.95Å; F442-N614 HydrophobicContact CZ-CB 4.36Å; F442-N614 PolarHBondContact N-ND2 3.14Å; F442-N614 PolarHBondContact O-ND2 3.46Å; W500-N614 HydrophobicContact CB-CB 4.08Å; V612-N614 HydrophobicContact CG1-CB 4.39Å; N614-I616 PolarHBondContact O-N 3.12Å; N614-I616 VanDerWaalsContact O-N 3.13Å
615	G	89.6	Confident	90.3	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	26%	0.264	C	S	.	.	S	Bend	trans	69.7	3.1	-171	0	0	0	0	0	114.3	T438 T440	T438-G615 PolarHBondContact OG1-O 3.18Å; T438-G615 VanDerWaalsContact OG1-O 3.12Å; T440-G615 PolarHBondContact O-N 2.78Å
616	I	90.9	Very high	90.2	Very high	55 Å²	55	48.1 Å²	48.1	28%	0.282	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-84.8	149.3	-179.9	60.6	175	0	0	0	111.7	G439 Y499 E501 N614	G439-I616 WeakPolarHBondContact CA-O 3.4Å; Y499-I616 HydrophobicContact CD1-CD1 4.15Å; Y499-I616 HydrophobicContact CD1-CG1 4.19Å; Y499-I616 HydrophobicContact CE1-CD1 3.82Å; Y499-I616 HydrophobicContact CE1-CG1 4.36Å; E501-I616 HydrophobicContact CB-CD1 4.06Å; E501-I616 HydrophobicContact CG-CD1 3.8Å; N614-I616 PolarHBondContact O-N 3.12Å; N614-I616 VanDerWaalsContact O-N 3.13Å
617	Q	89.5	Confident	90.2	Very high	154 Å²	154	48.6 Å²	48.6	72%	0.72	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-68	133.2	174.4	-172	174.8	9.7	0	0	110.5	T438 P619	T438-Q617 VanDerWaalsContact O-CA 3.27Å; T438-Q617 WeakPolarHBondContact O-CA 3.11Å; Q617-P619 WeakPolarHBondContact O-CD 3.47Å
618	A	89.6	Confident	90.2	Very high	31 Å²	31	48.5 Å²	48.5	26%	0.256	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-64.1	129.5	176	0	0	0	0	0	110.9	Y499 F623	Y499-A618 HydrophobicContact CD1-CB 4.27Å; Y499-A618 HydrophobicContact CG-CB 4.01Å; A618-F623 HydrophobicContact CB-CD2 4.15Å; A618-F623 HydrophobicContact CB-CE2 3.6Å
619	P	90.4	Very high	90.1	Very high	32 Å²	32	50.3 Å²	50.3	21%	0.208	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-62.1	147.8	174.3	-23.4	32.1	0	0	0	112.7	Y499 Q617 Y621 T622	Y499-P619 HydrophobicContact CE1-CG 4.05Å; Q617-P619 WeakPolarHBondContact O-CD 3.47Å; P619-Y621 HydrophobicContact CB-CD1 3.7Å; P619-Y621 HydrophobicContact CB-CE1 3.25Å; P619-Y621 HydrophobicContact CB-CE2 4.32Å; P619-Y621 HydrophobicContact CB-CG 4.4Å; P619-Y621 HydrophobicContact CG-CE1 3.97Å; P619-Y621 PolarHBondContact O-N 3.42Å; P619-T622 HydrophobicContact CB-CG2 4.14Å; P619-T622 HydrophobicContact CG-CG2 4.23Å; P619-T622 WeakPolarHBondContact O-CB 3.34Å; P619-T622 WeakPolarHBondContact O-CG2 3.39Å; P619-T622 PolarHBondContact O-N 2.79Å; P619-T622 PolarHBondContact O-OG1 3.26Å
620	D	87.2	Confident	89.8	Confident	153 Å²	153	52.5 Å²	52.5	82%	0.818	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.7	-174.8	-67.7	-28.6	0	0	0	113.8	T622 I624	D620-T622 VanDerWaalsContact C-N 3.29Å; D620-T622 PolarHBondContact O-N 2.98Å; D620-I624 WeakPolarHBondContact O-CD1 3.36Å; D620-I624 WeakPolarHBondContact O-CG1 3.18Å
621	Y	87.4	Confident	89.4	Confident	43 Å²	43	56.1 Å²	56.1	17%	0.169	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.2	-178.3	63.3	-103.2	0	0	0	114.7	F579 E584 P619	F579-Y621 HydrophobicContact CB-CE2 4.21Å; F579-Y621 AromaticContact CD1-CD2 3.85Å; F579-Y621 HydrophobicContact CD1-CD2 3.85Å; F579-Y621 AromaticContact CD1-CE2 3.73Å; F579-Y621 HydrophobicContact CD1-CE2 3.73Å; F579-Y621 AromaticContact CE1-CD2 3.97Å; F579-Y621 HydrophobicContact CE1-CD2 3.97Å; F579-Y621 HydrophobicContact CE1-CE2 4.25Å; F579-Y621 HydrophobicContact CG-CD2 4.48Å; F579-Y621 AromaticContact CG-CE2 3.95Å; F579-Y621 HydrophobicContact CG-CE2 3.95Å; E584-Y621 HydrophobicContact CB-CD1 3.79Å; E584-Y621 HydrophobicContact CB-CE1 3.67Å; E584-Y621 HydrophobicContact CB-CG 4.32Å; E584-Y621 HydrophobicContact CG-CD1 3.91Å; E584-Y621 HydrophobicContact CG-CE1 3.49Å; E584-Y621 VanDerWaalsContact CG-CE1 3.49Å; P619-Y621 HydrophobicContact CB-CD1 3.7Å; P619-Y621 HydrophobicContact CB-CE1 3.25Å; P619-Y621 HydrophobicContact CB-CE2 4.32Å; P619-Y621 HydrophobicContact CB-CG 4.4Å; P619-Y621 HydrophobicContact CG-CE1 3.97Å; P619-Y621 PolarHBondContact O-N 3.42Å
622	T	85.4	Confident	88.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-37	-166.9	54	0	0	0	0	114.1	Y499 R577 F579 P619 D620	Y499-T622 HydrophobicContact CD2-CG2 3.91Å; Y499-T622 HydrophobicContact CE2-CG2 3.6Å; R577-T622 PolarHBondContact NH1-O 3.17Å; F579-T622 HydrophobicContact CD2-CG2 4.36Å; F579-T622 HydrophobicContact CE2-CG2 4.18Å; F579-T622 HydrophobicContact CZ-CG2 4.49Å; F579-T622 WeakPolarHBondContact CZ-O 3.23Å; P619-T622 HydrophobicContact CB-CG2 4.14Å; P619-T622 HydrophobicContact CG-CG2 4.23Å; P619-T622 WeakPolarHBondContact O-CB 3.34Å; P619-T622 WeakPolarHBondContact O-CG2 3.39Å; P619-T622 PolarHBondContact O-N 2.79Å; P619-T622 PolarHBondContact O-OG1 3.26Å; D620-T622 VanDerWaalsContact C-N 3.29Å; D620-T622 PolarHBondContact O-N 2.98Å
623	F	84.3	Confident	88.2	Confident	34 Å²	34	61.9 Å²	61.9	15%	0.149	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	19.5	-173.6	-62.8	-71	0	0	0	114.4	R497 A568 D570 A618	R497-F623 HydrophobicContact CB-CD1 4.33Å; R497-F623 HydrophobicContact CB-CE1 3.85Å; R497-F623 HydrophobicContact CB-CE2 4.12Å; R497-F623 HydrophobicContact CB-CZ 3.75Å; R497-F623 HydrophobicContact CG-CD1 4.01Å; R497-F623 HydrophobicContact CG-CE1 3.94Å; R497-F623 HydrophobicContact CG-CG 4.46Å; R497-F623 HydrophobicContact CG-CZ 4.32Å; A568-F623 HydrophobicContact CB-CE1 3.93Å; A568-F623 HydrophobicContact CB-CZ 3.97Å; D570-F623 HydrophobicContact CB-CD1 4.26Å; D570-F623 HydrophobicContact CB-CE1 4.16Å; A618-F623 HydrophobicContact CB-CD2 4.15Å; A618-F623 HydrophobicContact CB-CE2 3.6Å
624	I	74.8	Confident	87.5	Confident	147 Å²	147	62.9 Å²	62.9	75%	0.754	34%	0.335	S	S	*	.			trans	-71.9	0	176	-51.6	-176.5	0	0	0	111.1	R577 D620	R577-I624 PolarHBondContact NH1-O 2.85Å; R577-I624 PolarHBondContact NH2-O 3.41Å; D620-I624 WeakPolarHBondContact O-CD1 3.36Å; D620-I624 WeakPolarHBondContact O-CG1 3.18Å

Retrieved 624 of 624 residues in 272.9 ms (Link to these results)

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