A0A5K4F803_SCHMA Loading...

Ribosomal_L2_C domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F803, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	33.6	Very low	238 Å²	238	141.4 Å²	141.4	100%	1.172	78%	0.781	S	S	*	*				0	125.7	0	-74.1	-170.3	169.6	0	0	108.6	L3	M1-L3 PolarHBondContact O-N 3.08Å
2	N	34.1	Very low	33	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	78%	0.784	S	S	*	*			trans	-64.9	114.2	-168.6	-69.6	-26.9	0	0	0	112.5
3	L	36	Very low	32.4	Very low	149 Å²	149	148 Å²	148	78%	0.78	79%	0.785	S	S	*	*			trans	-93.8	3.9	169	-87.9	155.8	0	0	0	113	M1 S5	M1-L3 PolarHBondContact O-N 3.08Å; L3-S5 VanDerWaalsContact C-N 3.3Å; L3-S5 PolarHBondContact O-N 3.22Å
4	C	37.2	Very low	32.1	Very low	115 Å²	115	152.1 Å²	152.1	78%	0.777	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-74.5	-11.4	-179.9	-84.1	0	0	0	0	114.7
5	S	37	Very low	31.7	Very low	79 Å²	79	148.6 Å²	148.6	55%	0.552	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-84.7	-12.2	-175.2	55.3	0	0	0	0	115.2	L3	L3-S5 VanDerWaalsContact C-N 3.3Å; L3-S5 PolarHBondContact O-N 3.22Å
6	H	33.4	Very low	31.6	Very low	155 Å²	155	149.5 Å²	149.5	72%	0.718	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-93.9	-3.6	-176.4	-89.4	-62.3	0	0	0	115.5
7	L	36.4	Very low	31.4	Very low	152 Å²	152	151.7 Å²	151.7	80%	0.796	78%	0.783	S	S	*	*	S	Bend	trans	-85.7	-8.9	179.1	-80.7	165.4	0	0	0	114.3
8	T	33.9	Very low	31.3	Very low	100 Å²	100	148.9 Å²	148.9	61%	0.613	78%	0.779	S	S	*	*	S	Bend	trans	-86.7	-13.6	-177.8	52.5	0	0	0	0	114.7
9	N	31.3	Very low	31.3	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	79%	0.788	S	S	*	*	S	Bend	trans	-103.5	20.7	-168.9	-78.7	0.1	0	0	0	116.7
10	S	28.7	Very low	31.2	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	78%	0.784	S	S	*	*			trans	-139.2	44.2	170.5	76.5	0	0	0	0	114.2	R12	S10-R12 PolarHBondContact O-N 3.03Å
11	L	27.2	Very low	31.2	Very low	162 Å²	162	146.5 Å²	146.5	85%	0.848	78%	0.784	S	S	*	*			trans	-82.7	70.4	156.4	-74.5	169.2	0	0	0	108.5	L13	L11-L13 PolarHBondContact O-N 3.17Å
12	R	27.1	Very low	31.3	Very low	217 Å²	217	145 Å²	145	82%	0.819	77%	0.771	S	S	*	*			trans	-86.2	97.9	170.5	-142.1	175.8	-168.3	175.5	2.9	108	S10 Y14	S10-R12 PolarHBondContact O-N 3.03Å; R12-Y14 PolarHBondContact O-N 3.39Å; R12-Y14 VanDerWaalsContact O-N 3.15Å
13	L	24.5	Very low	31.4	Very low	152 Å²	152	145.4 Å²	145.4	80%	0.796	77%	0.772	S	S	*	*			trans	-46.1	109.2	172.8	-66.2	160.5	0	0	0	110.7	L11	L11-L13 PolarHBondContact O-N 3.17Å
14	Y	28.8	Very low	31.3	Very low	205 Å²	205	145.1 Å²	145.1	80%	0.804	77%	0.771	S	S	*	*			trans	-110.6	87.9	155.3	-82.7	-78.2	0	0	0	107.6	R12 N16	R12-Y14 PolarHBondContact O-N 3.39Å; R12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-N16 PolarHBondContact O-N 3.33Å
15	T	25.4	Very low	31.2	Very low	100 Å²	100	149.1 Å²	149.1	61%	0.613	78%	0.778	S	S	*	*			trans	-66.4	108.4	163	47.4	0	0	0	0	108.5
16	N	29.7	Very low	31.1	Very low	163 Å²	163	150.9 Å²	150.9	87%	0.872	79%	0.79	S	S	*	*			trans	-130.7	123.3	153.2	-94.1	-30.3	0	0	0	108.7	Y14	Y14-N16 PolarHBondContact O-N 3.33Å
17	F	29	Very low	31.2	Very low	187 Å²	187	147.3 Å²	147.3	82%	0.82	78%	0.783	S	S	*	*			trans	-79.6	152.9	-159.4	-97.8	-107	0	0	0	114.1
18	S	28.7	Very low	31	Very low	102 Å²	102	150.4 Å²	150.4	71%	0.713	79%	0.79	S	S	*	*	S	Bend	trans	73.8	131.3	153.4	82	0	0	0	0	119.3
19	L	31.9	Very low	31.1	Very low	181 Å²	181	154.4 Å²	154.4	95%	0.948	80%	0.799	S	S	*	*	S	Bend	trans	83	76.8	169.8	-64.3	148.5	0	0	0	116.5
20	G	30.2	Very low	31.3	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	79%	0.785	S	S	*	*	S	Bend	trans	178.3	-20.9	161.6	0	0	0	0	0	116.3	K22	G20-K22 PolarHBondContact O-N 3Å
21	N	30.1	Very low	32.1	Very low	145 Å²	145	151.4 Å²	151.4	78%	0.775	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	78.9	-179.5	-74.8	-15.9	0	0	0	112.1
22	K	36.8	Very low	32.6	Very low	206 Å²	206	147.4 Å²	147.4	90%	0.896	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	-1.3	157	-94.5	-169.9	179.1	-177.6	0	114.5	G20	G20-K22 PolarHBondContact O-N 3Å
23	L	35.8	Very low	33	Very low	164 Å²	164	147.1 Å²	147.1	86%	0.859	77%	0.773	S	S	*	*	S	Bend	trans	-113.5	2.1	-176.1	-92.1	159.3	0	0	0	115.9
24	L	34.5	Very low	33.7	Very low	144 Å²	144	146.7 Å²	146.7	75%	0.754	77%	0.771	S	S	*	*	S	Bend	trans	-121.4	14.1	-175.6	-73.5	168.4	0	0	0	115.2
25	Q	35.1	Very low	34.1	Very low	198 Å²	198	143.2 Å²	143.2	93%	0.925	77%	0.771	S	S	*	*	S	Bend	trans	-91.2	9.1	179.5	-100	-174	-5	0	0	115.9
26	S	35.6	Very low	34.6	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	78%	0.777	S	S	*	*	S	Bend	trans	-129.5	61.1	177.8	72.8	0	0	0	0	113.8
27	S	33.7	Very low	35	Very low	80 Å²	80	143 Å²	143	56%	0.559	77%	0.774	S	S	*	*			trans	-154.7	90.3	150.8	50.9	0	0	0	0	109.5	F29	S27-F29 PolarHBondContact O-N 2.86Å
28	K	33.1	Very low	35.2	Very low	218 Å²	218	141.3 Å²	141.3	95%	0.948	77%	0.773	S	S	*	*			trans	-63.7	90.4	163.6	-68.4	-177.3	179.6	179.1	0	107.3	S30	K28-S30 PolarHBondContact O-N 2.85Å
29	F	36.1	Very low	35.8	Very low	184 Å²	184	142.1 Å²	142.1	81%	0.807	78%	0.776	S	S	*	*			trans	-68.6	97.7	168.8	-95.9	-88.2	0	0	0	108.1	S27	S27-F29 PolarHBondContact O-N 2.86Å
30	S	34.7	Very low	35.9	Very low	71 Å²	71	141 Å²	141	50%	0.497	77%	0.77	S	S	.	*			trans	-66.2	128.9	166.3	173.4	0	0	0	0	109.2	K28 S32	K28-S30 PolarHBondContact O-N 2.85Å; S30-S32 PolarHBondContact O-N 2.98Å; S30-S32 VanDerWaalsContact O-N 3.17Å; S30-S32 PolarHBondContact OG-OG 3.2Å; S30-S32 VanDerWaalsContact OG-OG 3.08Å
31	P	45.7	Very low	36.1	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-72.9	-0.5	-177.9	-13.3	28.3	0	0	0	114.9	Y33	P31-Y33 VanDerWaalsContact C-N 3.31Å; P31-Y33 PolarHBondContact O-N 2.81Å
32	S	39	Very low	36.3	Very low	78 Å²	78	145.1 Å²	145.1	55%	0.545	77%	0.769	S	S	.	*	G	3₁₀ helix	trans	-79.7	4.1	-167.1	61.3	0	0	0	0	116.2	S30	S30-S32 PolarHBondContact O-N 2.98Å; S30-S32 VanDerWaalsContact O-N 3.17Å; S30-S32 PolarHBondContact OG-OG 3.2Å; S30-S32 VanDerWaalsContact OG-OG 3.08Å
33	Y	34.9	Very low	36.3	Very low	211 Å²	211	142.9 Å²	142.9	83%	0.827	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-111.1	11.6	-178.9	-72.2	-74.1	0	0	0	115.6	P31	P31-Y33 VanDerWaalsContact C-N 3.31Å; P31-Y33 PolarHBondContact O-N 2.81Å
34	L	38.1	Very low	36.1	Very low	142 Å²	142	144.8 Å²	144.8	74%	0.743	76%	0.758	S	S	*	*			trans	-90.3	3.4	-179.9	-90.4	159	0	0	0	115.4
35	T	38.5	Very low	36.3	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	76%	0.758	S	S	*	*	S	Bend	trans	-106.3	65.1	-180	50.4	0	0	0	0	112.9
36	S	35.6	Very low	36.4	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	75%	0.749	S	S	*	*			trans	-168.9	62.7	153.1	68.5	0	0	0	0	112
37	L	38.3	Very low	36.5	Very low	155 Å²	155	143.8 Å²	143.8	81%	0.812	75%	0.753	S	S	*	*			trans	-102.3	101.6	165.4	-72.7	172.4	0	0	0	108.6
38	N	32.2	Very low	36.8	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	75%	0.752	S	S	*	*			trans	-53.1	125.7	176.9	-85.2	-24.5	0	0	0	111.2	L40	N38-L40 PolarHBondContact O-N 2.96Å
39	P	42.3	Very low	37	Very low	120 Å²	120	140 Å²	140	78%	0.779	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	21.3	-172.7	29.8	-34.1	0	0	0	115.5
40	L	32.7	Very low	37.2	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	22.6	-172.7	-68.5	176.4	0	0	0	116	N38	N38-L40 PolarHBondContact O-N 2.96Å
41	Q	36.1	Very low	37.4	Very low	149 Å²	149	135.3 Å²	135.3	70%	0.696	74%	0.737	S	S	*	*			trans	-103.8	81.6	159.3	-85.4	-177.3	-10.9	0	0	109.9	Y43	Q41-Y43 VanDerWaalsContact C-N 3.27Å; Q41-Y43 WeakPolarHBondContact O-CD2 3.38Å; Q41-Y43 PolarHBondContact O-N 3.15Å
42	I	33.6	Very low	37.5	Very low	151 Å²	151	132.6 Å²	132.6	77%	0.774	72%	0.721	S	S	*	*			trans	-62.8	93.7	165.1	-61.7	167.4	0	0	0	106.7	K44	I42-K44 PolarHBondContact O-N 3.3Å
43	Y	37	Very low	37.5	Very low	160 Å²	160	133.5 Å²	133.5	63%	0.627	72%	0.719	S	S	*	*			trans	-58.5	108.7	168.8	-70.6	-80.8	0	0	0	107.5	Q41 Y45	Q41-Y43 VanDerWaalsContact C-N 3.27Å; Q41-Y43 WeakPolarHBondContact O-CD2 3.38Å; Q41-Y43 PolarHBondContact O-N 3.15Å; Y43-Y45 VanDerWaalsContact C-N 3.29Å; Y43-Y45 WeakPolarHBondContact O-CD2 3.22Å; Y43-Y45 PolarHBondContact O-N 3Å
44	K	31	Very low	37.5	Very low	204 Å²	204	130.2 Å²	130.2	89%	0.887	72%	0.716	S	S	*	*			trans	-60.6	93.6	169	-81.7	-178.1	175.5	175.7	0	108.3	I42 G46	I42-K44 PolarHBondContact O-N 3.3Å; K44-G46 VanDerWaalsContact C-N 3.33Å; K44-G46 PolarHBondContact O-N 3.29Å
45	Y	39.5	Very low	37.5	Very low	195 Å²	195	130.7 Å²	130.7	77%	0.765	71%	0.708	S	S	*	*			trans	-68.3	93.5	166.9	-65.1	-77.9	0	0	0	108	Y43 L47	Y43-Y45 VanDerWaalsContact C-N 3.29Å; Y43-Y45 WeakPolarHBondContact O-CD2 3.22Å; Y43-Y45 PolarHBondContact O-N 3Å; Y45-L47 PolarHBondContact O-N 2.98Å
46	G	37.1	Very low	37.6	Very low	70 Å²	70	133.3 Å²	133.3	72%	0.722	70%	0.702	S	S	*	*			trans	-62.6	105.3	169.5	0	0	0	0	0	109.6	K44 S48	K44-G46 VanDerWaalsContact C-N 3.33Å; K44-G46 PolarHBondContact O-N 3.29Å; G46-S48 PolarHBondContact O-N 3.49Å
47	L	37.5	Very low	37.8	Very low	171 Å²	171	132.6 Å²	132.6	90%	0.895	70%	0.696	S	S	*	*			trans	-63	98.2	169.8	-68.9	169.4	0	0	0	108.5	Y45	Y45-L47 PolarHBondContact O-N 2.98Å
48	S	39.9	Very low	38.2	Very low	79 Å²	79	127.4 Å²	127.4	55%	0.552	68%	0.68	S	S	*	*			trans	-93.2	106.6	175.2	-175.5	0	0	0	0	110.2	G46 S50	G46-S48 PolarHBondContact O-N 3.49Å; S48-S50 PolarHBondContact O-N 3.35Å
49	T	37.8	Very low	38.4	Very low	141 Å²	141	124.2 Å²	124.2	87%	0.865	66%	0.662	S	S	*	*			trans	-79.3	42.4	171.7	49.9	0	0	0	0	112.1	C51	T49-C51 PolarHBondContact O-N 2.95Å
50	S	39.5	Very low	38.4	Very low	50 Å²	50	122.2 Å²	122.2	35%	0.35	65%	0.647	S	S	.	*			trans	-76.7	128.1	173.7	73.3	0	0	0	0	110.1	S48 S52 L53	S48-S50 PolarHBondContact O-N 3.35Å; S50-S52 PolarHBondContact O-N 3Å; S50-S52 PolarHBondContact OG-OG 3.31Å; S50-L53 PolarHBondContact O-N 3.21Å
51	C	40	Very low	38.8	Very low	106 Å²	106	122.2 Å²	122.2	72%	0.716	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-2.7	172.6	-59.6	0	0	0	0	114.3	T49 L53 N54	T49-C51 PolarHBondContact O-N 2.95Å; C51-L53 PolarHBondContact O-N 3.2Å; C51-N54 PolarHBondContact O-N 2.97Å
52	S	46.4	Very low	39.3	Very low	59 Å²	59	117.4 Å²	117.4	41%	0.413	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-23.7	170.7	76.8	0	0	0	0	113.2	S50	S50-S52 PolarHBondContact O-N 3Å; S50-S52 PolarHBondContact OG-OG 3.31Å
53	L	38.8	Very low	40	Very low	97 Å²	97	116.1 Å²	116.1	51%	0.508	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	-21.1	175.8	-65.7	176.4	0	0	0	113.5	S50 C51 R55	S50-L53 PolarHBondContact O-N 3.21Å; C51-L53 PolarHBondContact O-N 3.2Å; L53-R55 PolarHBondContact O-N 3.32Å
54	N	36	Very low	40.6	Very low	142 Å²	142	113.4 Å²	113.4	76%	0.759	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	0.5	176	-75.1	-8.7	0	0	0	113.5	C51 R56	C51-N54 PolarHBondContact O-N 2.97Å; N54-R56 PolarHBondContact O-N 3.08Å; N54-R56 VanDerWaalsContact O-N 3.16Å
55	R	37.5	Very low	41.7	Very low	152 Å²	152	105.7 Å²	105.7	57%	0.574	58%	0.576	S	S	*	*	S	Bend	trans	-70.2	109.4	159	-66.1	-170.8	-152.7	121.4	4.5	106.2	L53 P57 Y61	L53-R55 PolarHBondContact O-N 3.32Å; R55-P57 VanDerWaalsContact O-CD 3.31Å; R55-P57 WeakPolarHBondContact O-CD 3.45Å; R55-Y61 HydrophobicContact CB-CE2 4.47Å; R55-Y61 HydrophobicContact CG-CE2 3.91Å
56	R	40.3	Very low	42.8	Very low	187 Å²	187	99.1 Å²	99.1	71%	0.706	56%	0.559	S	S	*	*			trans	-42.1	115.5	168.5	-78.8	173.2	168.9	172.3	1.3	108.4	N54 G58 I59	N54-R56 PolarHBondContact O-N 3.08Å; N54-R56 VanDerWaalsContact O-N 3.16Å; R56-G58 PolarHBondContact O-N 3.48Å; R56-I59 HydrophobicContact CB-CB 4.19Å; R56-I59 HydrophobicContact CB-CD1 3.91Å; R56-I59 HydrophobicContact CB-CG1 3.77Å; R56-I59 HydrophobicContact CG-CD1 4.17Å; R56-I59 PolarHBondContact O-N 3.17Å
57	P	41.2	Very low	44.5	Very low	90 Å²	90	101.4 Å²	101.4	58%	0.584	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	126.4	169.2	20.5	-28.3	0	0	0	107.3	R55	R55-P57 VanDerWaalsContact O-CD 3.31Å; R55-P57 WeakPolarHBondContact O-CD 3.45Å
58	G	44.8	Very low	46.3	Very low	46 Å²	46	96.8 Å²	96.8	47%	0.474	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-13.2	-175.8	0	0	0	0	0	117	R56 T60	R56-G58 PolarHBondContact O-N 3.48Å; G58-T60 PolarHBondContact O-N 3.27Å; G58-T60 VanDerWaalsContact O-N 3.14Å
59	I	36.7	Very low	48	Very low	83 Å²	83	95.2 Å²	95.2	43%	0.426	50%	0.499	S	S	.	.			trans	-81	97.5	165.9	-66.3	-168.8	0	0	0	109	R56 Y61	R56-I59 HydrophobicContact CB-CB 4.19Å; R56-I59 HydrophobicContact CB-CD1 3.91Å; R56-I59 HydrophobicContact CB-CG1 3.77Å; R56-I59 HydrophobicContact CG-CD1 4.17Å; R56-I59 PolarHBondContact O-N 3.17Å; I59-Y61 PolarHBondContact O-N 2.89Å
60	T	42.9	Very low	50	Low	78 Å²	78	89.1 Å²	89.1	48%	0.479	46%	0.463	S	S	.	.			trans	-62.7	101.1	167	-34.2	0	0	0	0	108.1	G58 P62 L359	G58-T60 PolarHBondContact O-N 3.27Å; G58-T60 VanDerWaalsContact O-N 3.14Å; T60-P62 WeakPolarHBondContact O-CD 3.27Å; T60-L359 HydrophobicContact CG2-CD2 4.02Å
61	Y	42.1	Very low	52	Low	156 Å²	156	86.9 Å²	86.9	61%	0.612	45%	0.447	S	S	*	.			trans	-62.7	120	152.9	-66.4	-82.1	0	0	0	104.7	R55 I59 R63	R55-Y61 HydrophobicContact CB-CE2 4.47Å; R55-Y61 HydrophobicContact CG-CE2 3.91Å; I59-Y61 PolarHBondContact O-N 2.89Å; Y61-R63 PolarHBondContact O-N 3.2Å
62	P	45.8	Very low	54	Low	48 Å²	48	84.9 Å²	84.9	31%	0.312	43%	0.434	S	S	.	.			trans	-55	128.2	175.7	21.9	-31	0	0	0	107.3	T60 Q100	T60-P62 WeakPolarHBondContact O-CD 3.27Å; P62-Q100 HydrophobicContact CB-CG 4.08Å; P62-Q100 HydrophobicContact CG-CB 3.86Å; P62-Q100 HydrophobicContact CG-CG 3.29Å
63	R	49.3	Very low	55.6	Low	124 Å²	124	89.4 Å²	89.4	47%	0.468	45%	0.446	S	S	.	.			trans	-44.3	139.7	168.7	-70.8	-175.1	171.1	-179.8	-2	106.6	Y61 V65 L359	Y61-R63 PolarHBondContact O-N 3.2Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 WeakPolarHBondContact O-CA 3.32Å; R63-V65 WeakPolarHBondContact O-CG2 3.29Å; R63-V65 PolarHBondContact O-N 3.43Å; R63-L359 PolarHBondContact NH1-O 3.21Å; R63-L359 PolarHBondContact NH2-O 3.25Å
64	P	48.7	Very low	57.7	Low	103 Å²	103	88.6 Å²	88.6	67%	0.669	45%	0.445	S	S	*	.			trans	-50.5	104.5	-179.6	21.7	-32.8	0	0	0	107.6	S66	P64-S66 PolarHBondContact O-N 2.64Å
65	V	54	Low	59.9	Low	42 Å²	42	83.6 Å²	83.6	26%	0.255	42%	0.418	S	S	.	.			trans	-68.1	122.6	-167.4	-166.1	0	0	0	0	105	R63 R67 W69 P95 Q100	R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 WeakPolarHBondContact O-CA 3.32Å; R63-V65 WeakPolarHBondContact O-CG2 3.29Å; R63-V65 PolarHBondContact O-N 3.43Å; V65-R67 PolarHBondContact O-N 3.11Å; V65-W69 HydrophobicContact CG1-CB 3.83Å; V65-W69 HydrophobicContact CG1-CG 3.59Å; V65-P95 HydrophobicContact CG1-CG 4.2Å; V65-P95 HydrophobicContact CG2-CG 4.11Å; V65-Q100 VanDerWaalsContact CG2-CD 3.49Å
66	S	63.6	Low	62.2	Low	58 Å²	58	80.2 Å²	80.2	41%	0.406	41%	0.411	S	S	.	.			trans	-58.7	137.9	178.7	78.9	0	0	0	0	108	P64 Y68 W69	P64-S66 PolarHBondContact O-N 2.64Å; S66-Y68 PolarHBondContact O-N 3.16Å; S66-Y68 WeakPolarHBondContact OG-CB 3.08Å; S66-Y68 WeakPolarHBondContact OG-CD2 3.23Å; S66-W69 PolarHBondContact O-N 3.48Å; S66-W69 VanDerWaalsContact O-N 3.07Å
67	R	72.2	Confident	64.2	Low	118 Å²	118	72.2 Å²	72.2	45%	0.445	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-21.1	177.5	-179.6	-177.1	-72.9	166.3	7.2	113.4	V65 W69 A70 I71 L87	V65-R67 PolarHBondContact O-N 3.11Å; R67-W69 PolarHBondContact O-N 3.19Å; R67-A70 PolarHBondContact O-N 3.13Å; R67-I71 HydrophobicContact CG-CD1 4.27Å; R67-I71 PolarHBondContact O-N 2.89Å; R67-L87 HydrophobicContact CG-CD2 3.98Å
68	Y	74.4	Confident	66.3	Low	74 Å²	74	73.3 Å²	73.3	29%	0.29	38%	0.381	S	S	.	.	H	α-helix	trans	-55.1	-29.1	175.9	-64.4	-72.7	0	0	0	114.3	S66 A70 I71 S72 P77 R366 P367	S66-Y68 PolarHBondContact O-N 3.16Å; S66-Y68 WeakPolarHBondContact OG-CB 3.08Å; S66-Y68 WeakPolarHBondContact OG-CD2 3.23Å; Y68-A70 VanDerWaalsContact C-N 3.29Å; Y68-A70 PolarHBondContact O-N 3.39Å; Y68-I71 HydrophobicContact CD1-CD1 4.1Å; Y68-I71 PolarHBondContact O-N 3.02Å; Y68-S72 WeakPolarHBondContact O-CB 3.05Å; Y68-S72 PolarHBondContact O-N 3.18Å; Y68-S72 PolarHBondContact O-OG 3.5Å; Y68-P77 HydrophobicContact CD1-CB 4.34Å; Y68-R366 HydrophobicContact CE2-CB 4.43Å; Y68-P367 HydrophobicContact CD1-CG 3.41Å; Y68-P367 VanDerWaalsContact CD1-CG 3.41Å; Y68-P367 HydrophobicContact CD2-CG 4.22Å; Y68-P367 HydrophobicContact CE1-CG 3.73Å; Y68-P367 HydrophobicContact CG-CG 3.67Å
69	W	76.5	Confident	68.3	Low	46 Å²	46	74.2 Å²	74.2	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-35.8	175.5	86.9	-94.7	0	0	0	112.5	V65 S66 R67 S72 K73 T90 G94 P95	V65-W69 HydrophobicContact CG1-CB 3.83Å; V65-W69 HydrophobicContact CG1-CG 3.59Å; S66-W69 PolarHBondContact O-N 3.48Å; S66-W69 VanDerWaalsContact O-N 3.07Å; R67-W69 PolarHBondContact O-N 3.19Å; W69-S72 WeakPolarHBondContact CA-OG 3.42Å; W69-S72 PolarHBondContact O-OG 3.14Å; W69-K73 HydrophobicContact CE3-CD 4.18Å; W69-K73 HydrophobicContact CZ3-CD 3.67Å; W69-K73 VanDerWaalsContact CZ3-CE 3.43Å; W69-K73 HydrophobicContact CZ3-CG 4.47Å; W69-T90 HydrophobicContact CH2-CG2 4.29Å; W69-T90 HydrophobicContact CZ2-CG2 3.55Å; W69-G94 WeakPolarHBondContact CZ2-O 3.44Å; W69-P95 HydrophobicContact CD2-CB 3.89Å; W69-P95 HydrophobicContact CD2-CG 4.45Å; W69-P95 HydrophobicContact CE3-CB 3.69Å; W69-P95 HydrophobicContact CG-CB 4.43Å; W69-P95 HydrophobicContact CH2-CB 4.48Å; W69-P95 HydrophobicContact CZ3-CB 4Å
70	A	79.4	Confident	70.8	Confident	12 Å²	12	70.3 Å²	70.3	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-76.8	-31.2	178.1	0	0	0	0	0	110.6	R67 Y68 T90	R67-A70 PolarHBondContact O-N 3.13Å; Y68-A70 VanDerWaalsContact C-N 3.29Å; Y68-A70 PolarHBondContact O-N 3.39Å; A70-T90 HydrophobicContact CB-CG2 3.96Å
71	I	80.8	Confident	73	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-44.8	172.7	-64.2	166.5	0	0	0	109.8	R67 Y68 K73 V74 M75 P77 M85 L87 W112	R67-I71 HydrophobicContact CG-CD1 4.27Å; R67-I71 PolarHBondContact O-N 2.89Å; Y68-I71 HydrophobicContact CD1-CD1 4.1Å; Y68-I71 PolarHBondContact O-N 3.02Å; I71-K73 PolarHBondContact O-N 3.35Å; I71-K73 VanDerWaalsContact O-N 3.1Å; I71-V74 PolarHBondContact O-N 3.1Å; I71-M75 CarbonylContact C-O 3.55Å; I71-M75 PolarHBondContact O-N 3.14Å; I71-P77 HydrophobicContact CG2-CB 4.47Å; I71-M85 HydrophobicContact CG2-CE 4.11Å; I71-L87 HydrophobicContact CG1-CD1 3.69Å; I71-W112 HydrophobicContact CD1-CE3 4.29Å; I71-W112 HydrophobicContact CD1-CH2 3.6Å; I71-W112 HydrophobicContact CD1-CZ2 3.99Å; I71-W112 HydrophobicContact CD1-CZ3 3.75Å; I71-W112 HydrophobicContact CG1-CZ3 4.38Å
72	S	81.8	Confident	75.3	Confident	64 Å²	64	59.9 Å²	59.9	45%	0.448	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.7	-178.6	69.6	0	0	0	0	114.2	Y68 W69 M75	Y68-S72 WeakPolarHBondContact O-CB 3.05Å; Y68-S72 PolarHBondContact O-N 3.18Å; Y68-S72 PolarHBondContact O-OG 3.5Å; W69-S72 WeakPolarHBondContact CA-OG 3.42Å; W69-S72 PolarHBondContact O-OG 3.14Å; S72-M75 VanDerWaalsContact CA-O 3.26Å; S72-M75 WeakPolarHBondContact CA-O 3.43Å
73	K	81.5	Confident	77.5	Confident	154 Å²	154	58.9 Å²	58.9	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.7	170.8	-75.7	-169.2	163.4	-173.3	0	113.8	W69 I71	W69-K73 HydrophobicContact CE3-CD 4.18Å; W69-K73 HydrophobicContact CZ3-CD 3.67Å; W69-K73 VanDerWaalsContact CZ3-CE 3.43Å; W69-K73 HydrophobicContact CZ3-CG 4.47Å; I71-K73 PolarHBondContact O-N 3.35Å; I71-K73 VanDerWaalsContact O-N 3.1Å
74	V	81.5	Confident	79.4	Confident	80 Å²	80	55.5 Å²	55.5	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-38.4	-176.3	-177.1	0	0	0	0	110.8	I71	I71-V74 PolarHBondContact O-N 3.1Å
75	M	82.9	Confident	81.3	Confident	37 Å²	37	51.3 Å²	51.3	18%	0.182	27%	0.267	C	S	.	.	S	Bend	trans	-156.7	155	-175.3	-164.1	-178.9	90	0	0	110.2	I71 S72 P77 Q79 T81 M85 M114	I71-M75 CarbonylContact C-O 3.55Å; I71-M75 PolarHBondContact O-N 3.14Å; S72-M75 VanDerWaalsContact CA-O 3.26Å; S72-M75 WeakPolarHBondContact CA-O 3.43Å; M75-P77 WeakPolarHBondContact O-CD 3.5Å; M75-Q79 WeakPolarHBondContact CE-O 3.48Å; M75-T81 VanDerWaalsContact CE-OG1 3.31Å; M75-T81 WeakPolarHBondContact CE-OG1 3.29Å; M75-T81 PolarHBondContact SD-OG1 2.67Å; M75-M85 HydrophobicContact CB-CE 3.73Å; M75-M85 HydrophobicContact CE-CE 4.1Å; M75-M85 HydrophobicContact CE-SD 4.13Å; M75-M85 HydrophobicContact CG-CE 4.49Å; M75-M85 HydrophobicContact SD-CE 3.95Å; M75-M85 HydrophobicContact SD-SD 4.41Å; M75-M114 HydrophobicContact CE-CE 4.2Å; M75-M114 HydrophobicContact CE-SD 3.54Å; M75-M114 VanDerWaalsContact CE-SD 3.54Å
76	D	85.4	Confident	82.7	Confident	81 Å²	81	53.5 Å²	53.5	43%	0.433	28%	0.282	S	S	.	.			trans	-58.4	120.9	171.4	178.5	11.7	0	0	0	110.7	H78 Q79	D76-H78 PolarHBondContact O-N 3.25Å; D76-H78 IonicContact OD1-CD2 2.98Å; D76-H78 IonicContact OD1-CG 3.86Å; D76-H78 PolarHBondContact OD1-N 3.05Å; D76-Q79 HydrophobicContact CB-CB 4.18Å; D76-Q79 PolarHBondContact O-N 3Å
77	P	82.5	Confident	83.6	Confident	19 Å²	19	51.1 Å²	51.1	12%	0.123	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.9	179.4	31.2	-39.1	0	0	0	113.9	Y68 I71 M75 P367	Y68-P77 HydrophobicContact CD1-CB 4.34Å; I71-P77 HydrophobicContact CG2-CB 4.47Å; M75-P77 WeakPolarHBondContact O-CD 3.5Å; P77-P367 HydrophobicContact CB-CB 3.84Å; P77-P367 HydrophobicContact CB-CG 3.72Å; P77-P367 HydrophobicContact CG-CB 4.17Å; P77-P367 HydrophobicContact CG-CG 4.2Å
78	H	85.1	Confident	83.8	Confident	114 Å²	114	50.4 Å²	50.4	53%	0.528	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.9	174.8	-68.9	-89.3	0	0	0	113.2	D76 P369	D76-H78 PolarHBondContact O-N 3.25Å; D76-H78 IonicContact OD1-CD2 2.98Å; D76-H78 IonicContact OD1-CG 3.86Å; D76-H78 PolarHBondContact OD1-N 3.05Å; H78-P369 VanDerWaalsContact O-CA 3.27Å; H78-P369 WeakPolarHBondContact O-CA 3.48Å
79	Q	86.8	Confident	84.2	Confident	64 Å²	64	49 Å²	49	30%	0.299	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-83.2	125.8	177.2	-170.3	167.6	25.4	0	0	110.3	M75 D76 M114 L377	M75-Q79 WeakPolarHBondContact CE-O 3.48Å; D76-Q79 HydrophobicContact CB-CB 4.18Å; D76-Q79 PolarHBondContact O-N 3Å; Q79-M114 WeakPolarHBondContact O-CE 3.39Å; Q79-L377 HydrophobicContact CG-CD1 3.99Å; Q79-L377 HydrophobicContact CG-CG 4.37Å; Q79-L377 VanDerWaalsContact NE2-CD2 3.31Å
80	Y	89.3	Confident	84.6	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.272	C	S	.	.			trans	-81.2	145	177.5	-176.1	-93.6	0	0	0	111.4	V82 M114 K155 R156 W157 P369 I370 P371	Y80-V82 HydrophobicContact CE1-CG2 3.7Å; Y80-M114 HydrophobicContact CD2-CB 4.2Å; Y80-M114 HydrophobicContact CE2-CB 3.91Å; Y80-M114 PolarHBondContact OH-O 3.33Å; Y80-K155 WeakPolarHBondContact CE1-O 3.41Å; Y80-R156 HydrophobicContact CE1-CB 4.18Å; Y80-R156 VanDerWaalsContact OH-CA 3.23Å; Y80-R156 WeakPolarHBondContact OH-CA 3.44Å; Y80-W157 PolarHBondContact OH-N 3.06Å; Y80-P369 HydrophobicContact CD2-CB 4.16Å; Y80-P369 HydrophobicContact CD2-CG 4.37Å; Y80-I370 WeakPolarHBondContact CB-O 3.45Å; Y80-P371 HydrophobicContact CD1-CB 3.59Å; Y80-P371 HydrophobicContact CE1-CB 3.99Å; Y80-P371 HydrophobicContact CG-CB 4.03Å
81	T	89.6	Confident	84.9	Confident	14 Å²	14	48.7 Å²	48.7	9%	0.086	27%	0.271	C	S	.	.			trans	-144.5	134.1	175.6	-57.4	0	0	0	0	110.5	M75 D83 L377	M75-T81 VanDerWaalsContact CE-OG1 3.31Å; M75-T81 WeakPolarHBondContact CE-OG1 3.29Å; M75-T81 PolarHBondContact SD-OG1 2.67Å; T81-D83 HydrophobicContact CG2-CB 3.84Å; T81-L377 WeakPolarHBondContact OG1-CD1 3.39Å
82	V	91.1	Very high	85.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	27%	0.272	C	S	.	.			trans	-80.6	-30.2	178.3	-174.2	0	0	0	0	111.2	Y80 L148 K155 W157 N375 M381	Y80-V82 HydrophobicContact CE1-CG2 3.7Å; V82-L148 HydrophobicContact CG1-CD1 3.59Å; V82-K155 HydrophobicContact CG1-CB 4.3Å; V82-K155 HydrophobicContact CG2-CB 3.91Å; V82-K155 WeakPolarHBondContact CG2-O 3.45Å; V82-W157 PolarHBondContact O-NE1 2.86Å; V82-N375 HydrophobicContact CG2-CB 4.2Å; V82-N375 WeakPolarHBondContact CG2-ND2 3.4Å; V82-M381 HydrophobicContact CG1-CE 3.69Å; V82-M381 HydrophobicContact CG1-SD 3.48Å; V82-M381 WeakPolarHBondContact CG1-SD 3.4Å
83	D	90.3	Very high	85.2	Confident	28 Å²	28	51.5 Å²	51.5	15%	0.15	27%	0.273	C	S	.	.	S	Bend	trans	-63.3	153.1	-179	-70.7	-22.7	0	0	0	112.8	T81 M85 K380	T81-D83 HydrophobicContact CG2-CB 3.84Å; D83-M85 PolarHBondContact O-N 3.25Å; D83-K380 PolarHBondContact OD1-N 3.01Å; D83-K380 VanDerWaalsContact OD1-N 3.16Å; D83-K380 PolarHBondContact OD2-N 3.16Å
84	A	90.3	Very high	85.1	Confident	52 Å²	52	44.3 Å²	44.3	43%	0.43	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-68.3	120.3	175	0	0	0	0	0	110.6	P111 F113	A84-P111 HydrophobicContact CB-CB 3.67Å; A84-F113 HydrophobicContact CB-CD1 4.43Å; A84-F113 HydrophobicContact CB-CE1 3.62Å; A84-F113 HydrophobicContact CB-CZ 3.79Å
85	M	87.3	Confident	84.8	Confident	16 Å²	16	44 Å²	44	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.7	176.8	-63.7	-179	72.4	0	0	111.9	I71 M75 D83 L87 W112 M114	I71-M85 HydrophobicContact CG2-CE 4.11Å; M75-M85 HydrophobicContact CB-CE 3.73Å; M75-M85 HydrophobicContact CE-CE 4.1Å; M75-M85 HydrophobicContact CE-SD 4.13Å; M75-M85 HydrophobicContact CG-CE 4.49Å; M75-M85 HydrophobicContact SD-CE 3.95Å; M75-M85 HydrophobicContact SD-SD 4.41Å; D83-M85 PolarHBondContact O-N 3.25Å; M85-L87 PolarHBondContact O-N 3.48Å; M85-L87 VanDerWaalsContact O-N 3.07Å; M85-W112 HydrophobicContact CB-CE3 4.29Å; M85-W112 HydrophobicContact CG-CE3 4.46Å; M85-W112 PolarHBondContact N-O 2.77Å; M85-W112 PolarHBondContact O-N 3.07Å; M85-W112 HydrophobicContact SD-CE3 3.73Å; M85-W112 HydrophobicContact SD-CZ3 3.64Å; M85-M114 HydrophobicContact SD-CG 3.94Å; M85-M114 HydrophobicContact SD-SD 3.79Å
86	P	85	Confident	84.5	Confident	87 Å²	87	46 Å²	46	57%	0.565	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	92.9	168	31.2	-32.1	0	0	0	109.3	V88	P86-V88 PolarHBondContact O-N 3.35Å
87	L	81.2	Confident	84.1	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	25%	0.254	C	S	.	.			trans	-85.5	114.9	177.7	-177.9	66	0	0	0	111.1	R67 I71 M85 R89 W112 W141	R67-L87 HydrophobicContact CG-CD2 3.98Å; I71-L87 HydrophobicContact CG1-CD1 3.69Å; M85-L87 PolarHBondContact O-N 3.48Å; M85-L87 VanDerWaalsContact O-N 3.07Å; L87-R89 PolarHBondContact O-N 2.73Å; L87-W112 HydrophobicContact CB-CB 3.79Å; L87-W112 HydrophobicContact CD2-CB 4.22Å; L87-W112 HydrophobicContact CD2-CG 4.14Å; L87-W141 HydrophobicContact CB-CH2 4.29Å; L87-W141 HydrophobicContact CB-CZ2 4.07Å; L87-W141 HydrophobicContact CD2-CE3 4.44Å; L87-W141 HydrophobicContact CD2-CH2 3.74Å; L87-W141 HydrophobicContact CD2-CZ2 4.12Å; L87-W141 HydrophobicContact CD2-CZ3 3.95Å; L87-W141 HydrophobicContact CG-CH2 4.18Å; L87-W141 HydrophobicContact CG-CZ2 4.46Å
88	V	76.8	Confident	83.9	Confident	104 Å²	104	50.4 Å²	50.4	63%	0.63	28%	0.279	S	S	*	.			trans	-65.8	121.8	172.2	-175.8	0	0	0	0	109.9	P86 T90	P86-V88 PolarHBondContact O-N 3.35Å; V88-T90 PolarHBondContact O-N 3.49Å
89	R	83.2	Confident	83.8	Confident	44 Å²	44	49.6 Å²	49.6	17%	0.166	28%	0.278	C	S	.	.			trans	-77.5	121.3	172.3	-79.7	-163.2	140.7	93.3	-5.5	110.2	L87 G91 T106 L108 W141 R296	L87-R89 PolarHBondContact O-N 2.73Å; R89-G91 PolarHBondContact O-N 3.4Å; R89-T106 HydrophobicContact CB-CG2 4.34Å; R89-T106 WeakPolarHBondContact CB-O 3.41Å; R89-T106 WeakPolarHBondContact CD-O 3.41Å; R89-T106 WeakPolarHBondContact CG-O 3.22Å; R89-L108 PolarHBondContact NH1-O 3.18Å; R89-W141 HydrophobicContact CG-CH2 3.43Å; R89-W141 VanDerWaalsContact CG-CH2 3.43Å; R89-W141 HydrophobicContact CG-CZ2 4.47Å; R89-W141 HydrophobicContact CG-CZ3 3.95Å; R89-W141 VanDerWaalsContact NH1-CZ2 3.34Å; R89-W141 VanDerWaalsContact NH1-CZ3 3.26Å; R89-W141 VanDerWaalsContact NH2-CZ3 3.26Å; R89-R296 PolarHBondContact NH2-O 3.14Å; R89-R296 VanDerWaalsContact NH2-O 3.11Å
90	T	84.3	Confident	83.4	Confident	43 Å²	43	48.3 Å²	48.3	26%	0.264	27%	0.272	S	S	.	.			trans	-75.2	-8.2	-177.5	66.6	0	0	0	0	114.5	W69 A70 V88 G92 R93	W69-T90 HydrophobicContact CH2-CG2 4.29Å; W69-T90 HydrophobicContact CZ2-CG2 3.55Å; A70-T90 HydrophobicContact CB-CG2 3.96Å; V88-T90 PolarHBondContact O-N 3.49Å; T90-G92 PolarHBondContact O-N 2.76Å; T90-G92 PolarHBondContact OG1-N 3.06Å; T90-R93 VanDerWaalsContact CB-O 3.28Å; T90-R93 WeakPolarHBondContact CB-O 3.45Å; T90-R93 WeakPolarHBondContact O-CB 2.99Å; T90-R93 WeakPolarHBondContact O-CG 3.45Å; T90-R93 PolarHBondContact O-N 2.98Å; T90-R93 VanDerWaalsContact O-N 3.14Å; T90-R93 PolarHBondContact OG1-O 3.11Å
91	G	86.2	Confident	83.2	Confident	9 Å²	9	52.1 Å²	52.1	9%	0.093	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	26	-173.6	0	0	0	0	0	113.6	R89 R93 V104	R89-G91 PolarHBondContact O-N 3.4Å; G91-R93 VanDerWaalsContact C-N 3.35Å; G91-V104 CarbonylContact C-O 3.44Å
92	G	85.8	Confident	83	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	5.9	-177.3	0	0	0	0	0	114.6	T90 Q100 L101	T90-G92 PolarHBondContact O-N 2.76Å; T90-G92 PolarHBondContact OG1-N 3.06Å; G92-Q100 PolarHBondContact O-N 2.82Å; G92-L101 PolarHBondContact O-N 2.96Å
93	R	82.3	Confident	82.8	Confident	123 Å²	123	65.9 Å²	65.9	46%	0.464	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-77.7	146.8	172.4	-63.2	178.8	172.4	90.3	-3.7	111.9	T90 G91 G97 K98 I99	T90-R93 VanDerWaalsContact CB-O 3.28Å; T90-R93 WeakPolarHBondContact CB-O 3.45Å; T90-R93 WeakPolarHBondContact O-CB 2.99Å; T90-R93 WeakPolarHBondContact O-CG 3.45Å; T90-R93 PolarHBondContact O-N 2.98Å; T90-R93 VanDerWaalsContact O-N 3.14Å; T90-R93 PolarHBondContact OG1-O 3.11Å; G91-R93 VanDerWaalsContact C-N 3.35Å; R93-G97 VanDerWaalsContact CD-O 3.29Å; R93-G97 WeakPolarHBondContact CD-O 3.38Å; R93-K98 CarbonylContact C-O 3.23Å; R93-K98 WeakPolarHBondContact CA-O 3.38Å; R93-I99 HydrophobicContact CG-CG1 4Å
94	G	79.8	Confident	82.7	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.021	36%	0.361	C	S	.	.			trans	-92.5	-173	170.3	0	0	0	0	0	113.6	W69 D96 G97 K98	W69-G94 WeakPolarHBondContact CZ2-O 3.44Å; G94-D96 WeakPolarHBondContact CA-OD1 3.43Å; G94-D96 PolarHBondContact O-N 3.49Å; G94-G97 PolarHBondContact O-N 2.96Å; G94-K98 PolarHBondContact N-O 3.33Å
95	P	75.3	Confident	82.7	Confident	73 Å²	73	66.2 Å²	66.2	47%	0.474	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.7	179.6	27.2	-32.3	0	0	0	112.4	V65 W69 G97	V65-P95 HydrophobicContact CG1-CG 4.2Å; V65-P95 HydrophobicContact CG2-CG 4.11Å; W69-P95 HydrophobicContact CD2-CB 3.89Å; W69-P95 HydrophobicContact CD2-CG 4.45Å; W69-P95 HydrophobicContact CE3-CB 3.69Å; W69-P95 HydrophobicContact CG-CB 4.43Å; W69-P95 HydrophobicContact CH2-CB 4.48Å; W69-P95 HydrophobicContact CZ3-CB 4Å; P95-G97 PolarHBondContact O-N 3.48Å
96	D	77.9	Confident	82.7	Confident	79 Å²	79	69.3 Å²	69.3	42%	0.422	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.7	173.6	62	-34.4	0	0	0	113.9	G94 K98 Q100	G94-D96 WeakPolarHBondContact CA-OD1 3.43Å; G94-D96 PolarHBondContact O-N 3.49Å; D96-K98 PolarHBondContact O-N 3.47Å; D96-K98 VanDerWaalsContact O-N 3.12Å; D96-K98 WeakPolarHBondContact OD2-CB 3.44Å; D96-Q100 PolarHBondContact OD1-NE2 3.13Å
97	G	75.1	Confident	82.8	Confident	45 Å²	45	66.2 Å²	66.2	46%	0.464	35%	0.354	S	S	.	.	S	Bend	trans	76.6	-11.8	-178.4	0	0	0	0	0	114.8	R93 G94 P95	R93-G97 VanDerWaalsContact CD-O 3.29Å; R93-G97 WeakPolarHBondContact CD-O 3.38Å; G94-G97 PolarHBondContact O-N 2.96Å; P95-G97 PolarHBondContact O-N 3.48Å
98	K	80.2	Confident	83.2	Confident	149 Å²	149	68.7 Å²	68.7	65%	0.648	37%	0.367	S	S	*	.	S	Bend	trans	-77.8	150.3	177.7	-58.3	179.5	-179.7	172.5	0	111.4	R93 G94 D96 Q100	R93-K98 CarbonylContact C-O 3.23Å; R93-K98 WeakPolarHBondContact CA-O 3.38Å; G94-K98 PolarHBondContact N-O 3.33Å; D96-K98 PolarHBondContact O-N 3.47Å; D96-K98 VanDerWaalsContact O-N 3.12Å; D96-K98 WeakPolarHBondContact OD2-CB 3.44Å; K98-Q100 WeakPolarHBondContact O-CG 3.49Å; K98-Q100 PolarHBondContact O-N 3Å
99	I	81.8	Confident	83.7	Confident	97 Å²	97	69.6 Å²	69.6	50%	0.497	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-74.6	113.9	175.5	-60.1	172.2	0	0	0	109.1	R93 K102	R93-I99 HydrophobicContact CG-CG1 4Å; I99-K102 HydrophobicContact CG2-CG 4.3Å
100	Q	78.5	Confident	83.9	Confident	37 Å²	37	71.9 Å²	71.9	17%	0.173	38%	0.377	C	S	.	.			trans	-102.9	-41.4	178.9	-47.6	-170.9	-9.3	0	0	111.3	P62 V65 G92 D96 K98	P62-Q100 HydrophobicContact CB-CG 4.08Å; P62-Q100 HydrophobicContact CG-CB 3.86Å; P62-Q100 HydrophobicContact CG-CG 3.29Å; V65-Q100 VanDerWaalsContact CG2-CD 3.49Å; G92-Q100 PolarHBondContact O-N 2.82Å; D96-Q100 PolarHBondContact OD1-NE2 3.13Å; K98-Q100 WeakPolarHBondContact O-CG 3.49Å; K98-Q100 PolarHBondContact O-N 3Å
101	L	84.3	Confident	84.2	Confident	80 Å²	80	72.7 Å²	72.7	42%	0.419	38%	0.383	S	S	.	.			trans	-103	86.3	177.9	-62.5	175.4	0	0	0	109.7	G92 H103 V104	G92-L101 PolarHBondContact O-N 2.96Å; L101-H103 PolarHBondContact O-N 2.9Å; L101-V104 HydrophobicContact CB-CB 4.17Å; L101-V104 HydrophobicContact CB-CG2 3.75Å; L101-V104 HydrophobicContact CD1-CG2 4.1Å; L101-V104 PolarHBondContact O-N 3.23Å
102	K	85.7	Confident	84.4	Confident	157 Å²	157	73.5 Å²	73.5	68%	0.683	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-23.2	-176	-62.7	-176.2	179.7	-176.6	0	114.9	I99 K299	I99-K102 HydrophobicContact CG2-CG 4.3Å; K102-K299 VanDerWaalsContact O-CD 3.31Å; K102-K299 WeakPolarHBondContact O-CD 3.44Å
103	H	86.5	Confident	84.7	Confident	147 Å²	147	73.6 Å²	73.6	68%	0.681	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	-178.6	-63.5	-66.5	0	0	0	114.3	L101 K299	L101-H103 PolarHBondContact O-N 2.9Å; H103-K299 WeakPolarHBondContact O-CB 3.41Å; H103-K299 PolarHBondContact O-N 3.4Å
104	V	88.6	Confident	85.1	Confident	56 Å²	56	67.9 Å²	67.9	34%	0.339	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-92.4	146.3	178.5	178.8	0	0	0	0	109.3	G91 L101 G297	G91-V104 CarbonylContact C-O 3.44Å; L101-V104 HydrophobicContact CB-CB 4.17Å; L101-V104 HydrophobicContact CB-CG2 3.75Å; L101-V104 HydrophobicContact CD1-CG2 4.1Å; L101-V104 PolarHBondContact O-N 3.23Å; V104-G297 CarbonylContact C-O 3.51Å; V104-G297 WeakPolarHBondContact CA-O 3.21Å
105	T	90.1	Very high	85.7	Confident	31 Å²	31	68.5 Å²	68.5	19%	0.19	37%	0.365	C	S	.	.			trans	-136.1	163.6	178.6	-69.2	0	0	0	0	109.4	G107 K294 G297 K299	T105-G107 VanDerWaalsContact C-N 3.25Å; T105-G107 PolarHBondContact O-N 3.35Å; T105-K294 HydrophobicContact CG2-CG 4.37Å; T105-G297 PolarHBondContact N-O 3.45Å; T105-G297 WeakPolarHBondContact O-CA 3.48Å; T105-K299 WeakPolarHBondContact OG1-CA 3.37Å; T105-K299 WeakPolarHBondContact OG1-CB 3.18Å
106	T	87.2	Confident	86.5	Confident	81 Å²	81	65.6 Å²	65.6	50%	0.497	35%	0.345	S	S	.	.			trans	-60.4	-29.3	-176.9	-46.3	0	0	0	0	113.9	R89	R89-T106 HydrophobicContact CB-CG2 4.34Å; R89-T106 WeakPolarHBondContact CB-O 3.41Å; R89-T106 WeakPolarHBondContact CD-O 3.41Å; R89-T106 WeakPolarHBondContact CG-O 3.22Å
107	G	88.4	Confident	87.2	Confident	23 Å²	23	63.1 Å²	63.1	24%	0.237	33%	0.332	C	S	.	.			trans	48.3	-160.1	179.6	0	0	0	0	0	115.2	T105 K294	T105-G107 VanDerWaalsContact C-N 3.25Å; T105-G107 PolarHBondContact O-N 3.35Å; G107-K294 WeakPolarHBondContact CA-O 3.48Å
108	L	88.9	Confident	88	Confident	59 Å²	59	61.2 Å²	61.2	31%	0.309	31%	0.311	S	S	.	.			trans	-82.9	140.9	174.3	-65	177.3	0	0	0	110.4	R89 R110 W295	R89-L108 PolarHBondContact NH1-O 3.18Å; L108-R110 HydrophobicContact CB-CG 4.32Å; L108-R110 PolarHBondContact O-N 3.09Å; L108-W295 HydrophobicContact CD1-CB 3.81Å; L108-W295 HydrophobicContact CD1-CD2 4.31Å; L108-W295 HydrophobicContact CD1-CG 3.82Å; L108-W295 HydrophobicContact CG-CB 3.93Å; L108-W295 HydrophobicContact CG-CG 4.05Å; L108-W295 PolarHBondContact N-O 2.94Å
109	N	86.8	Confident	88.5	Confident	123 Å²	123	54.7 Å²	54.7	66%	0.658	28%	0.282	S	S	*	.			trans	-68	125.3	168.3	-169	3.7	0	0	0	109
110	R	89	Confident	88.4	Confident	92 Å²	92	51 Å²	51	35%	0.347	27%	0.265	S	S	.	.			trans	-145.1	144.1	-175.5	-67.7	-63.8	-175.3	177.1	-0	109.7	L108 W112 W140 W141	L108-R110 HydrophobicContact CB-CG 4.32Å; L108-R110 PolarHBondContact O-N 3.09Å; R110-W112 PolarHBondContact O-N 3.44Å; R110-W140 HydrophobicContact CB-CB 4.28Å; R110-W140 HydrophobicContact CB-CG 4.48Å; R110-W140 HydrophobicContact CG-CB 4.24Å; R110-W140 HydrophobicContact CG-CD2 4.48Å; R110-W140 HydrophobicContact CG-CG 4Å; R110-W141 WeakPolarHBondContact O-CZ2 3.44Å; R110-W141 PolarHBondContact O-NE1 3.36Å
111	P	89.4	Confident	88	Confident	61 Å²	61	53.2 Å²	53.2	40%	0.396	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.1	179.6	25.5	-34.1	0	0	0	111.1	A84 F113 W141	A84-P111 HydrophobicContact CB-CB 3.67Å; P111-F113 HydrophobicContact CB-CE2 4.3Å; P111-F113 HydrophobicContact CB-CZ 4.32Å; P111-F113 HydrophobicContact CG-CE2 4.36Å; P111-W141 VanDerWaalsContact C-NE1 3.27Å; P111-W141 PolarHBondContact O-NE1 3.04Å
112	W	90.5	Very high	87	Confident	25 Å²	25	52.2 Å²	52.2	10%	0.095	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.6	172.2	-177.6	76	0	0	0	109.8	I71 M85 L87 R110 M114 W141	I71-W112 HydrophobicContact CD1-CE3 4.29Å; I71-W112 HydrophobicContact CD1-CH2 3.6Å; I71-W112 HydrophobicContact CD1-CZ2 3.99Å; I71-W112 HydrophobicContact CD1-CZ3 3.75Å; I71-W112 HydrophobicContact CG1-CZ3 4.38Å; M85-W112 HydrophobicContact CB-CE3 4.29Å; M85-W112 HydrophobicContact CG-CE3 4.46Å; M85-W112 PolarHBondContact N-O 2.77Å; M85-W112 PolarHBondContact O-N 3.07Å; M85-W112 HydrophobicContact SD-CE3 3.73Å; M85-W112 HydrophobicContact SD-CZ3 3.64Å; L87-W112 HydrophobicContact CB-CB 3.79Å; L87-W112 HydrophobicContact CD2-CB 4.22Å; L87-W112 HydrophobicContact CD2-CG 4.14Å; R110-W112 PolarHBondContact O-N 3.44Å; W112-M114 HydrophobicContact CE3-CG 4.08Å; W112-M114 HydrophobicContact CH2-CB 4.28Å; W112-M114 HydrophobicContact CH2-CG 3.55Å; W112-M114 HydrophobicContact CZ3-CB 4.31Å; W112-M114 HydrophobicContact CZ3-CG 3.23Å; W112-M114 HydrophobicContact CZ3-SD 4.28Å; W112-W141 HydrophobicContact CB-CG 4.42Å; W112-W141 AromaticContact CD1-CD1 3.8Å; W112-W141 AromaticContact CD1-CG 3.63Å; W112-W141 HydrophobicContact CG-CG 4.43Å
113	F	91.9	Very high	86	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.022	24%	0.239	C	C	.	.			trans	-118.9	131.6	178.6	-63.4	-83	0	0	0	108.6	A84 P111 K137 T139 R142 I146 W157	A84-F113 HydrophobicContact CB-CD1 4.43Å; A84-F113 HydrophobicContact CB-CE1 3.62Å; A84-F113 HydrophobicContact CB-CZ 3.79Å; P111-F113 HydrophobicContact CB-CE2 4.3Å; P111-F113 HydrophobicContact CB-CZ 4.32Å; P111-F113 HydrophobicContact CG-CE2 4.36Å; F113-K137 HydrophobicContact CE2-CD 4.36Å; F113-K137 HydrophobicContact CZ-CD 4.27Å; F113-K137 VanDerWaalsContact CZ-NZ 3.27Å; F113-T139 HydrophobicContact CD2-CG2 3.69Å; F113-T139 HydrophobicContact CE2-CG2 4.06Å; F113-R142 PolarHBondContact O-NH2 3.44Å; F113-I146 HydrophobicContact CB-CD1 3.81Å; F113-I146 HydrophobicContact CD2-CD1 3.89Å; F113-I146 HydrophobicContact CG-CD1 3.84Å; F113-W157 HydrophobicContact CB-CG 4.43Å; F113-W157 AromaticContact CD1-CE2 3.74Å; F113-W157 HydrophobicContact CD1-CZ2 4.01Å; F113-W157 AromaticContact CD1-NE1 3.51Å; F113-W157 HydrophobicContact CE1-CZ2 4.05Å
114	M	90.8	Very high	85.1	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.242	C	C	.	.			trans	-68.3	130.1	169.7	-63.6	-178.1	77.2	0	0	108.2	M75 Q79 Y80 M85 W112 W157 P369	M75-M114 HydrophobicContact CE-CE 4.2Å; M75-M114 HydrophobicContact CE-SD 3.54Å; M75-M114 VanDerWaalsContact CE-SD 3.54Å; Q79-M114 WeakPolarHBondContact O-CE 3.39Å; Y80-M114 HydrophobicContact CD2-CB 4.2Å; Y80-M114 HydrophobicContact CE2-CB 3.91Å; Y80-M114 PolarHBondContact OH-O 3.33Å; M85-M114 HydrophobicContact SD-CG 3.94Å; M85-M114 HydrophobicContact SD-SD 3.79Å; W112-M114 HydrophobicContact CE3-CG 4.08Å; W112-M114 HydrophobicContact CH2-CB 4.28Å; W112-M114 HydrophobicContact CH2-CG 3.55Å; W112-M114 HydrophobicContact CZ3-CB 4.31Å; W112-M114 HydrophobicContact CZ3-CG 3.23Å; W112-M114 HydrophobicContact CZ3-SD 4.28Å; M114-W157 WeakPolarHBondContact O-CB 3.47Å; M114-P369 HydrophobicContact CE-CB 3.39Å; M114-P369 HydrophobicContact CE-CG 3.41Å; M114-P369 VanDerWaalsContact CE-CG 3.41Å
115	V	93	Very high	84.2	Confident	16 Å²	16	47.7 Å²	47.7	10%	0.097	26%	0.256	C	S	.	.			trans	-120.5	122.2	-178.2	171.6	0	0	0	0	108.8	N117 I146 W157 I159	V115-N117 PolarHBondContact O-ND2 3.48Å; V115-I146 HydrophobicContact CG2-CG2 3.82Å; V115-W157 CarbonylContact C-O 3.59Å; V115-W157 WeakPolarHBondContact CA-O 3.43Å; V115-W157 HydrophobicContact CG2-CB 4.14Å; V115-I159 HydrophobicContact CG1-CG1 3.88Å
116	D	92	Very high	83.5	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.059	28%	0.282	C	S	.	.			trans	-76.7	131.5	170.7	-170.1	8.3	0	0	0	109.7	N118 R156 W157	D116-N118 PolarHBondContact OD1-N 3.14Å; D116-R156 IonicContact OD2-CZ 3.18Å; D116-R156 IonicContact OD2-NH1 3.81Å; D116-R156 PolarHBondContact OD2-NH1 2.88Å; D116-W157 PolarHBondContact N-O 2.77Å
117	N	92.5	Very high	83.5	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.15	28%	0.281	C	S	.	.			trans	-114.9	-4.1	180	-54.3	-82.1	0	0	0	111.6	V115 A211 R215	V115-N117 PolarHBondContact O-ND2 3.48Å; N117-A211 HydrophobicContact CB-CB 4.15Å; N117-A211 VanDerWaalsContact O-CB 3.27Å; N117-A211 WeakPolarHBondContact O-CB 3.39Å; N117-A211 PolarHBondContact O-N 3.38Å; N117-R215 VanDerWaalsContact CG-CZ 3.47Å; N117-R215 PolarHBondContact ND2-NH2 3.07Å; N117-R215 PolarHBondContact OD1-NE 2.77Å; N117-R215 VanDerWaalsContact OD1-NE 3.17Å; N117-R215 PolarHBondContact OD1-NH2 2.98Å
118	N	91.2	Very high	83.6	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.027	29%	0.294	C	S	.	.			trans	-95.5	121.2	177.8	-177	-29.4	0	0	0	108.8	D116 S120 R121 R156 G208	D116-N118 PolarHBondContact OD1-N 3.14Å; N118-S120 PolarHBondContact OD1-N 3.22Å; N118-S120 PolarHBondContact OD1-OG 2.93Å; N118-R121 PolarHBondContact ND2-NH2 2.97Å; N118-R121 VanDerWaalsContact ND2-NH2 3.15Å; N118-R121 PolarHBondContact OD1-N 2.69Å; N118-R121 VanDerWaalsContact OD1-N 3.14Å; N118-R156 PolarHBondContact O-NH1 3.2Å; N118-G208 PolarHBondContact ND2-O 3.33Å
119	R	91.5	Very high	83.6	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	29%	0.286	C	S	.	.	S	Bend	trans	-95.7	-17.3	178.4	-66.4	-65.6	-160.1	122.3	18.4	114	E131 I158 I170 G186 A188 M271 V273	R119-E131 IonicContact NH1-OE2 2.76Å; R119-I158 VanDerWaalsContact NH2-CD1 3.34Å; R119-I170 VanDerWaalsContact NH1-CD1 3.26Å; R119-G186 PolarHBondContact NH2-O 3.14Å; R119-A188 HydrophobicContact CB-CB 3.53Å; R119-A188 HydrophobicContact CG-CB 3.71Å; R119-M271 HydrophobicContact CB-CE 4.26Å; R119-V273 HydrophobicContact CG-CG2 3.89Å
120	S	78.7	Confident	83.9	Confident	20 Å²	20	53.8 Å²	53.8	14%	0.14	27%	0.269	C	S	.	.	S	Bend	trans	-85.5	-15.2	-179	47.3	0	0	0	0	114.6	N118 Q122 V123	N118-S120 PolarHBondContact OD1-N 3.22Å; N118-S120 PolarHBondContact OD1-OG 2.93Å; S120-Q122 PolarHBondContact O-N 3.44Å; S120-V123 PolarHBondContact O-N 3.43Å
121	R	70.4	Confident	84.1	Confident	83 Å²	83	49.5 Å²	49.5	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.2	-162.7	-166.5	-179.1	-59.7	-74.1	0.1	116	N118 V123	N118-R121 PolarHBondContact ND2-NH2 2.97Å; N118-R121 VanDerWaalsContact ND2-NH2 3.15Å; N118-R121 PolarHBondContact OD1-N 2.69Å; N118-R121 VanDerWaalsContact OD1-N 3.14Å; R121-V123 VanDerWaalsContact C-N 3.35Å
122	Q	63.7	Low	84.3	Confident	60 Å²	60	48 Å²	48	28%	0.28	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1.8	-175.3	-69.5	174.3	-30.1	0	0	113	S120 H129	S120-Q122 PolarHBondContact O-N 3.44Å; Q122-H129 PolarHBondContact OE1-CE1 3.23Å; Q122-H129 PolarHBondContact OE1-NE2 2.75Å
123	V	64.2	Low	84.6	Confident	21 Å²	21	46.8 Å²	46.8	13%	0.127	24%	0.237	C	C	.	.			trans	-109.5	118.9	-166.5	-170.5	0	0	0	0	110.3	S120 R121 T127 H129 V174	S120-V123 PolarHBondContact O-N 3.43Å; R121-V123 VanDerWaalsContact C-N 3.35Å; V123-T127 WeakPolarHBondContact CG1-O 3.37Å; V123-H129 HydrophobicContact CG2-CB 3.53Å; V123-V174 HydrophobicContact CB-CG2 3.77Å; V123-V174 HydrophobicContact CG1-CG2 3.92Å; V123-V174 HydrophobicContact CG2-CG2 4.35Å
124	L	68.6	Low	84.7	Confident	141 Å²	141	49 Å²	49	74%	0.738	25%	0.249	S	C	*	.			trans	-73.3	139.9	160.6	-68.5	168.7	0	0	0	108	K126 T127	L124-K126 PolarHBondContact O-N 3.3Å; L124-T127 PolarHBondContact O-N 2.94Å; L124-T127 PolarHBondContact O-OG1 2.97Å
125	T	68.6	Low	84.9	Confident	103 Å²	103	53.6 Å²	53.6	63%	0.632	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	133.5	176.1	-48.3	0	0	0	0	110.2	D175	T125-D175 WeakPolarHBondContact CG2-OD1 3.34Å
126	K	76.2	Confident	85.1	Confident	171 Å²	171	54.9 Å²	54.9	74%	0.743	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-9.6	-174.3	-51.5	174.6	-179.5	179.3	0	119	L124 D175	L124-K126 PolarHBondContact O-N 3.3Å; K126-D175 WeakPolarHBondContact CA-OD2 3.24Å; K126-D175 WeakPolarHBondContact CG-OD2 3.33Å; K126-D175 PolarHBondContact N-OD1 2.98Å; K126-D175 VanDerWaalsContact N-OD1 3.08Å; K126-D175 PolarHBondContact N-OD2 2.87Å
127	T	86.2	Confident	85.3	Confident	76 Å²	76	58 Å²	58	47%	0.466	29%	0.291	S	S	.	.			trans	-93.9	136.4	176.3	42.1	0	0	0	0	111.9	V123 L124	V123-T127 WeakPolarHBondContact CG1-O 3.37Å; L124-T127 PolarHBondContact O-N 2.94Å; L124-T127 PolarHBondContact O-OG1 2.97Å
128	I	90.7	Very high	85.5	Confident	101 Å²	101	63.7 Å²	63.7	52%	0.518	32%	0.315	S	S	.	.			trans	-83.8	124.5	169.6	-61.6	168.6	0	0	0	107.5	E130 R171	I128-E130 HydrophobicContact CG2-CG 4.16Å; I128-R171 HydrophobicContact CG2-CB 4.2Å; I128-R171 HydrophobicContact CG2-CG 4.28Å
129	H	90.6	Very high	85.5	Confident	29 Å²	29	64 Å²	64	13%	0.134	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.8	176	-177.4	80.1	0	0	0	110.5	Q122 V123 E131 S151 R171 S172	Q122-H129 PolarHBondContact OE1-CE1 3.23Å; Q122-H129 PolarHBondContact OE1-NE2 2.75Å; V123-H129 HydrophobicContact CG2-CB 3.53Å; H129-E131 IonicContact NE2-OE1 2.82Å; H129-S151 WeakPolarHBondContact CE1-CB 3.42Å; H129-S151 PolarHBondContact CE1-OG 3.37Å; H129-S151 WeakPolarHBondContact NE2-CB 3.41Å; H129-S151 PolarHBondContact NE2-OG 3.48Å; H129-R171 CarbonylContact O-C 3.49Å; H129-R171 WeakPolarHBondContact O-CA 3.19Å; H129-S172 PolarHBondContact N-O 2.87Å; H129-S172 PolarHBondContact O-N 3.2Å
130	E	92.3	Very high	85.3	Confident	67 Å²	67	68.1 Å²	68.1	31%	0.313	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.7	-180	-56.5	-162.2	141.9	0	0	111.9	I128 S151 V169 R171	I128-E130 HydrophobicContact CG2-CG 4.16Å; E130-S151 PolarHBondContact O-OG 2.98Å; E130-V169 HydrophobicContact CB-CG1 4.14Å; E130-R171 HydrophobicContact CG-CG 4.27Å; E130-R171 IonicContact OE1-CZ 2.85Å; E130-R171 VanDerWaalsContact OE1-CZ 3.23Å; E130-R171 IonicContact OE1-NE 3.67Å; E130-R171 PolarHBondContact OE1-NE 2.66Å; E130-R171 IonicContact OE1-NH2 3.86Å; E130-R171 PolarHBondContact OE1-NH2 2.84Å
131	E	92.9	Very high	85.7	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.8	-170	-101.1	-173.2	162	0	0	109.3	R119 H129 V149 A150 R156 V169 I170	R119-E131 IonicContact NH1-OE2 2.76Å; H129-E131 IonicContact NE2-OE1 2.82Å; E131-V149 HydrophobicContact CB-CG1 3.3Å; E131-V149 HydrophobicContact CG-CG1 3.41Å; E131-V149 VanDerWaalsContact CG-CG1 3.41Å; E131-V149 WeakPolarHBondContact OE2-CG1 3.4Å; E131-A150 WeakPolarHBondContact CA-O 3.27Å; E131-R156 IonicContact OE1-CZ 3.92Å; E131-R156 IonicContact OE1-NE 2.85Å; E131-R156 PolarHBondContact OE1-NE 3.26Å; E131-R156 IonicContact OE1-NH2 3.14Å; E131-R156 PolarHBondContact OE1-NH2 3.15Å; E131-R156 IonicContact OE2-CZ 3.53Å; E131-R156 IonicContact OE2-NE 3.23Å; E131-R156 IonicContact OE2-NH2 3.7Å; E131-R156 PolarHBondContact OE2-NH2 3.2Å; E131-V169 WeakPolarHBondContact O-CA 3.32Å; E131-I170 HydrophobicContact CB-CD1 4.08Å; E131-I170 HydrophobicContact CB-CG1 3.48Å; E131-I170 VanDerWaalsContact CB-CG1 3.48Å; E131-I170 PolarHBondContact N-O 2.96Å; E131-I170 WeakPolarHBondContact O-CG1 3.49Å; E131-I170 PolarHBondContact O-N 2.92Å
132	L	94.3	Very high	86.7	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.7	176	-171.7	78.5	0	0	0	110.4	L134 V149 A150 G167 V169 Y384	L132-L134 HydrophobicContact CD2-CD2 3.91Å; L132-L134 PolarHBondContact O-N 2.78Å; L132-V149 CarbonylContact O-C 3.49Å; L132-V149 VanDerWaalsContact O-CA 3.27Å; L132-V149 WeakPolarHBondContact O-CA 3.31Å; L132-A150 PolarHBondContact N-O 2.89Å; L132-A150 PolarHBondContact O-N 2.91Å; L132-G167 WeakPolarHBondContact CD1-O 3.25Å; L132-V169 HydrophobicContact CD1-CG2 3.88Å; L132-Y384 HydrophobicContact CB-CE1 4.45Å; L132-Y384 HydrophobicContact CD2-CE1 4.41Å; L132-Y384 HydrophobicContact CD2-CE2 3.71Å; L132-Y384 VanDerWaalsContact CD2-CZ 3.48Å; L132-Y384 WeakPolarHBondContact CD2-OH 3.04Å
133	V	96.1	Very high	88.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.3	169.4	-178.1	0	0	0	0	109.7	V136 A147 V149 M164 K165 P166 G167 D168 I170	V133-V136 HydrophobicContact CG1-CG2 4.07Å; V133-A147 HydrophobicContact CG1-CB 4.17Å; V133-V149 HydrophobicContact CG2-CG2 4.16Å; V133-M164 HydrophobicContact CG1-CG 4.11Å; V133-M164 HydrophobicContact CG1-SD 4.48Å; V133-M164 HydrophobicContact CG2-CG 3.93Å; V133-M164 HydrophobicContact CG2-SD 4.06Å; V133-K165 WeakPolarHBondContact CB-O 3.39Å; V133-K165 WeakPolarHBondContact CG1-O 3.24Å; V133-P166 WeakPolarHBondContact O-CA 3.42Å; V133-G167 PolarHBondContact O-N 2.82Å; V133-D168 HydrophobicContact CB-CB 4.41Å; V133-D168 HydrophobicContact CG2-CB 4.17Å; V133-D168 WeakPolarHBondContact CG2-O 3.13Å; V133-D168 PolarHBondContact N-O 3.42Å; V133-I170 HydrophobicContact CG2-CD1 4.39Å; V133-I170 HydrophobicContact CG2-CG2 4.08Å
134	L	94.7	Very high	89.7	Confident	53 Å²	53	67.6 Å²	67.6	28%	0.277	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-42.2	178	-61.9	-178.9	0	0	0	112.3	L132 L148 A150 Y384	L132-L134 HydrophobicContact CD2-CD2 3.91Å; L132-L134 PolarHBondContact O-N 2.78Å; L134-L148 HydrophobicContact CB-CB 4.42Å; L134-L148 HydrophobicContact CB-CD2 4.23Å; L134-L148 HydrophobicContact CB-CG 4.27Å; L134-L148 HydrophobicContact CD1-CD2 4.01Å; L134-L148 HydrophobicContact CD1-CG 4.15Å; L134-L148 PolarHBondContact N-O 2.8Å; L134-A150 HydrophobicContact CD1-CB 3.8Å; L134-A150 HydrophobicContact CD2-CB 4.49Å; L134-A150 HydrophobicContact CG-CB 4.12Å; L134-Y384 HydrophobicContact CD1-CG 4.48Å; L134-Y384 HydrophobicContact CD2-CD2 3.61Å; L134-Y384 HydrophobicContact CD2-CE2 3.8Å; L134-Y384 HydrophobicContact CD2-CG 4.01Å
135	Q	95.3	Very high	91.1	Very high	99 Å²	99	63.5 Å²	63.5	46%	0.463	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	142.3	-175.8	-172.1	179.9	23	0	0	111.3	A147 L148	Q135-A147 CarbonylContact O-C 3.57Å; Q135-A147 VanDerWaalsContact O-CA 3.26Å; Q135-A147 WeakPolarHBondContact O-CA 3.46Å; Q135-L148 HydrophobicContact CB-CB 4.43Å; Q135-L148 PolarHBondContact N-O 3.23Å; Q135-L148 PolarHBondContact O-N 3.09Å
136	V	97.2	Very high	92.5	Very high	43 Å²	43	58.6 Å²	58.6	26%	0.261	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130	167.3	-177.4	0	0	0	0	109.9	V133 F145 I146 A147 A160 M164	V133-V136 HydrophobicContact CG1-CG2 4.07Å; V136-F145 HydrophobicContact CG1-CB 3.96Å; V136-I146 CarbonylContact C-O 3.55Å; V136-I146 WeakPolarHBondContact CA-O 3.33Å; V136-A147 HydrophobicContact CG2-CB 4.17Å; V136-A160 HydrophobicContact CG1-CB 4.04Å; V136-M164 HydrophobicContact CG2-CG 4.21Å
137	K	96	Very high	93.5	Very high	75 Å²	75	50.4 Å²	50.4	33%	0.326	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.2	-171.5	-173.5	171.1	-174.5	167.2	0	112.2	F113 I146 W157	F113-K137 HydrophobicContact CE2-CD 4.36Å; F113-K137 HydrophobicContact CZ-CD 4.27Å; F113-K137 VanDerWaalsContact CZ-NZ 3.27Å; K137-I146 HydrophobicContact CB-CG1 4.13Å; K137-I146 PolarHBondContact N-O 3.38Å; K137-I146 WeakPolarHBondContact O-CG1 3.45Å; K137-I146 PolarHBondContact O-N 2.83Å; K137-W157 HydrophobicContact CB-CH2 4.16Å; K137-W157 HydrophobicContact CB-CZ3 3.99Å; K137-W157 HydrophobicContact CD-CH2 3.92Å; K137-W157 HydrophobicContact CD-CZ3 4.49Å
138	K	95.2	Very high	93.9	Very high	149 Å²	149	47.4 Å²	47.4	65%	0.648	22%	0.219	S	C	*	.			trans	-77.6	135.1	168.7	-176.2	170.7	-175.2	174.8	0	110.6	F145	K138-F145 HydrophobicContact CB-CD1 3.81Å; K138-F145 HydrophobicContact CB-CE1 3.86Å; K138-F145 HydrophobicContact CD-CD1 4.48Å; K138-F145 HydrophobicContact CD-CE1 3.74Å; K138-F145 HydrophobicContact CD-CZ 4.46Å; K138-F145 HydrophobicContact CG-CD1 3.87Å; K138-F145 HydrophobicContact CG-CE1 3.61Å
139	T	91.7	Very high	94.1	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.074	19%	0.194	C	C	.	.			trans	-123.9	157	178.6	56.4	0	0	0	0	112.7	F113 R142 I146	F113-T139 HydrophobicContact CD2-CG2 3.69Å; F113-T139 HydrophobicContact CE2-CG2 4.06Å; T139-R142 WeakPolarHBondContact OG1-CG 3.19Å; T139-R142 PolarHBondContact OG1-NH1 2.78Å; T139-I146 HydrophobicContact CG2-CD1 3.43Å; T139-I146 VanDerWaalsContact CG2-CD1 3.43Å; T139-I146 HydrophobicContact CG2-CG1 3.76Å
140	W	87.3	Confident	94.2	Very high	96 Å²	96	41.2 Å²	41.2	36%	0.364	19%	0.188	S	C	.	.	S	Bend	trans	-85.6	-24.5	-179.4	-81.8	89.7	0	0	0	113.9	R110 R142 R296	R110-W140 HydrophobicContact CB-CB 4.28Å; R110-W140 HydrophobicContact CB-CG 4.48Å; R110-W140 HydrophobicContact CG-CB 4.24Å; R110-W140 HydrophobicContact CG-CD2 4.48Å; R110-W140 HydrophobicContact CG-CG 4Å; W140-R142 VanDerWaalsContact C-N 3.34Å; W140-R296 HydrophobicContact CE3-CG 4.22Å; W140-R296 HydrophobicContact CZ3-CG 3.92Å
141	W	87.7	Confident	94	Very high	25 Å²	25	39.5 Å²	39.5	10%	0.095	18%	0.183	C	C	.	.	S	Bend	trans	-85.5	-9.9	-169.2	-65.8	107	0	0	0	114.8	L87 R89 R110 P111 W112	L87-W141 HydrophobicContact CB-CH2 4.29Å; L87-W141 HydrophobicContact CB-CZ2 4.07Å; L87-W141 HydrophobicContact CD2-CE3 4.44Å; L87-W141 HydrophobicContact CD2-CH2 3.74Å; L87-W141 HydrophobicContact CD2-CZ2 4.12Å; L87-W141 HydrophobicContact CD2-CZ3 3.95Å; L87-W141 HydrophobicContact CG-CH2 4.18Å; L87-W141 HydrophobicContact CG-CZ2 4.46Å; R89-W141 HydrophobicContact CG-CH2 3.43Å; R89-W141 VanDerWaalsContact CG-CH2 3.43Å; R89-W141 HydrophobicContact CG-CZ2 4.47Å; R89-W141 HydrophobicContact CG-CZ3 3.95Å; R89-W141 VanDerWaalsContact NH1-CZ2 3.34Å; R89-W141 VanDerWaalsContact NH1-CZ3 3.26Å; R89-W141 VanDerWaalsContact NH2-CZ3 3.26Å; R110-W141 WeakPolarHBondContact O-CZ2 3.44Å; R110-W141 PolarHBondContact O-NE1 3.36Å; P111-W141 VanDerWaalsContact C-NE1 3.27Å; P111-W141 PolarHBondContact O-NE1 3.04Å; W112-W141 HydrophobicContact CB-CG 4.42Å; W112-W141 AromaticContact CD1-CD1 3.8Å; W112-W141 AromaticContact CD1-CG 3.63Å; W112-W141 HydrophobicContact CG-CG 4.43Å
142	R	91.6	Very high	93.5	Very high	47 Å²	47	41.1 Å²	41.1	18%	0.177	20%	0.201	C	C	.	.	S	Bend	trans	-149.4	158.8	-177.7	61.9	-175.7	68.4	96.2	-3.2	108	F113 T139 W140 P144	F113-R142 PolarHBondContact O-NH2 3.44Å; T139-R142 WeakPolarHBondContact OG1-CG 3.19Å; T139-R142 PolarHBondContact OG1-NH1 2.78Å; W140-R142 VanDerWaalsContact C-N 3.34Å; R142-P144 HydrophobicContact CG-CG 4.39Å
143	H	94.5	Very high	93	Very high	96 Å²	96	43.9 Å²	43.9	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	-77.2	-43.4	179.7	-56.9	-73.9	0	0	0	113.8	A217 N279 H282	H143-A217 HydrophobicContact CB-CB 3.62Å; H143-N279 PolarHBondContact O-ND2 3.27Å; H143-H282 AromaticContact CE1-NE2 3.43Å; H143-H282 PolarHBondContact CE1-NE2 3.25Å; H143-H282 AromaticContact CG-CD2 3.84Å; H143-H282 AromaticContact CG-NE2 3.49Å; H143-H282 AromaticContact ND1-CD2 3.61Å; H143-H282 AromaticContact ND1-CE1 3.26Å; H143-H282 PolarHBondContact ND1-CE1 2.68Å; H143-H282 VanDerWaalsContact ND1-CE1 3.26Å; H143-H282 AromaticContact ND1-NE2 2.78Å; H143-H282 PolarHBondContact ND1-NE2 3.32Å
144	P	97	Very high	92.6	Very high	5 Å²	5	45 Å²	45	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-75.2	161.4	-179.7	35.7	-42.4	0	0	0	112.2	R142 I159 R215 A217 V277	R142-P144 HydrophobicContact CG-CG 4.39Å; P144-I159 HydrophobicContact CB-CG2 3.73Å; P144-I159 HydrophobicContact CG-CG2 3.82Å; P144-R215 WeakPolarHBondContact CG-O 3.5Å; P144-A217 HydrophobicContact CB-CB 4.49Å; P144-V277 HydrophobicContact CB-CG1 3.35Å; P144-V277 HydrophobicContact CG-CG1 4.24Å
145	F	97.6	Very high	92.4	Very high	55 Å²	55	42.9 Å²	42.9	24%	0.241	21%	0.208	C	C	.	.			trans	-74.5	156.3	168.2	-53	-28.3	0	0	0	110	V136 K138 A160 S278 N279	V136-F145 HydrophobicContact CG1-CB 3.96Å; K138-F145 HydrophobicContact CB-CD1 3.81Å; K138-F145 HydrophobicContact CB-CE1 3.86Å; K138-F145 HydrophobicContact CD-CD1 4.48Å; K138-F145 HydrophobicContact CD-CE1 3.74Å; K138-F145 HydrophobicContact CD-CZ 4.46Å; K138-F145 HydrophobicContact CG-CD1 3.87Å; K138-F145 HydrophobicContact CG-CE1 3.61Å; F145-A160 HydrophobicContact CB-CB 4.26Å; F145-A160 PolarHBondContact O-N 2.97Å; F145-S278 WeakPolarHBondContact CB-OG 3.49Å; F145-S278 PolarHBondContact N-OG 2.98Å; F145-S278 PolarHBondContact O-OG 2.86Å; F145-N279 HydrophobicContact CD1-CB 4.23Å; F145-N279 HydrophobicContact CD2-CB 4.47Å; F145-N279 HydrophobicContact CE1-CB 3.87Å; F145-N279 HydrophobicContact CE2-CB 4.14Å; F145-N279 HydrophobicContact CZ-CB 3.83Å
146	I	97.1	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.3	174.1	60.1	174.4	0	0	0	109	F113 V115 V136 K137 T139 W157 I158	F113-I146 HydrophobicContact CB-CD1 3.81Å; F113-I146 HydrophobicContact CD2-CD1 3.89Å; F113-I146 HydrophobicContact CG-CD1 3.84Å; V115-I146 HydrophobicContact CG2-CG2 3.82Å; V136-I146 CarbonylContact C-O 3.55Å; V136-I146 WeakPolarHBondContact CA-O 3.33Å; K137-I146 HydrophobicContact CB-CG1 4.13Å; K137-I146 PolarHBondContact N-O 3.38Å; K137-I146 WeakPolarHBondContact O-CG1 3.45Å; K137-I146 PolarHBondContact O-N 2.83Å; T139-I146 HydrophobicContact CG2-CD1 3.43Å; T139-I146 VanDerWaalsContact CG2-CD1 3.43Å; T139-I146 HydrophobicContact CG2-CG1 3.76Å; I146-W157 HydrophobicContact CB-CE3 3.98Å; I146-W157 HydrophobicContact CD1-CD2 3.68Å; I146-W157 HydrophobicContact CD1-CE3 3.35Å; I146-W157 HydrophobicContact CD1-CG 4.2Å; I146-W157 HydrophobicContact CD1-CH2 4.4Å; I146-W157 HydrophobicContact CD1-CZ3 3.74Å; I146-W157 HydrophobicContact CG1-CD2 4.35Å; I146-W157 HydrophobicContact CG1-CE3 3.52Å; I146-W157 HydrophobicContact CG1-CZ3 3.73Å; I146-I158 CarbonylContact C-O 3.57Å; I146-I158 WeakPolarHBondContact CA-O 3.19Å; I146-I158 VanDerWaalsContact CB-O 3.31Å; I146-I158 WeakPolarHBondContact CB-O 3.09Å
147	A	97.4	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.5	173	0	0	0	0	0	109.4	V133 Q135 V136 V149 W157 I158 A160 M164	V133-A147 HydrophobicContact CG1-CB 4.17Å; Q135-A147 CarbonylContact O-C 3.57Å; Q135-A147 VanDerWaalsContact O-CA 3.26Å; Q135-A147 WeakPolarHBondContact O-CA 3.46Å; V136-A147 HydrophobicContact CG2-CB 4.17Å; A147-V149 HydrophobicContact CB-CG2 4.22Å; A147-W157 VanDerWaalsContact C-CE3 3.43Å; A147-W157 CarbonylContact O-C 3.56Å; A147-W157 VanDerWaalsContact O-CA 3.31Å; A147-W157 WeakPolarHBondContact O-CA 3.24Å; A147-I158 HydrophobicContact CB-CD1 4.39Å; A147-I158 HydrophobicContact CB-CG1 3.94Å; A147-I158 PolarHBondContact N-O 3.11Å; A147-I158 PolarHBondContact O-N 3.36Å; A147-A160 HydrophobicContact CB-CB 4.1Å; A147-M164 HydrophobicContact CB-CG 4.49Å; A147-M164 HydrophobicContact CB-SD 3.37Å; A147-M164 WeakPolarHBondContact CB-SD 3.35Å
148	L	95.4	Very high	92.1	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.6	166.5	-178.1	63.8	0	0	0	106.8	V82 L134 Q135 K155 W157 M381	V82-L148 HydrophobicContact CG1-CD1 3.59Å; L134-L148 HydrophobicContact CB-CB 4.42Å; L134-L148 HydrophobicContact CB-CD2 4.23Å; L134-L148 HydrophobicContact CB-CG 4.27Å; L134-L148 HydrophobicContact CD1-CD2 4.01Å; L134-L148 HydrophobicContact CD1-CG 4.15Å; L134-L148 PolarHBondContact N-O 2.8Å; Q135-L148 HydrophobicContact CB-CB 4.43Å; Q135-L148 PolarHBondContact N-O 3.23Å; Q135-L148 PolarHBondContact O-N 3.09Å; L148-K155 HydrophobicContact CD1-CB 4.21Å; L148-W157 HydrophobicContact CB-CD2 4.25Å; L148-W157 HydrophobicContact CB-CE3 3.8Å; L148-W157 HydrophobicContact CB-CH2 3.68Å; L148-W157 HydrophobicContact CB-CZ2 4.13Å; L148-W157 HydrophobicContact CB-CZ3 3.52Å; L148-W157 HydrophobicContact CD1-CD2 4.09Å; L148-W157 HydrophobicContact CD1-CE3 4.49Å; L148-W157 HydrophobicContact CD1-CZ2 4.19Å; L148-W157 HydrophobicContact CD2-CZ2 4.5Å; L148-W157 VanDerWaalsContact N-CE3 3.31Å; L148-W157 VanDerWaalsContact N-CZ3 3.32Å; L148-M381 HydrophobicContact CD1-SD 4.45Å; L148-M381 HydrophobicContact CD2-SD 3.72Å
149	V	94.4	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145	-176.3	175.4	0	0	0	0	108.9	E131 L132 V133 A147 K155 R156 I158 I170	E131-V149 HydrophobicContact CB-CG1 3.3Å; E131-V149 HydrophobicContact CG-CG1 3.41Å; E131-V149 VanDerWaalsContact CG-CG1 3.41Å; E131-V149 WeakPolarHBondContact OE2-CG1 3.4Å; L132-V149 CarbonylContact O-C 3.49Å; L132-V149 VanDerWaalsContact O-CA 3.27Å; L132-V149 WeakPolarHBondContact O-CA 3.31Å; V133-V149 HydrophobicContact CG2-CG2 4.16Å; A147-V149 HydrophobicContact CB-CG2 4.22Å; V149-K155 CarbonylContact O-C 3.57Å; V149-K155 VanDerWaalsContact O-CA 3.26Å; V149-K155 WeakPolarHBondContact O-CA 3.5Å; V149-R156 PolarHBondContact N-O 3.37Å; V149-R156 PolarHBondContact O-N 3.3Å; V149-I158 HydrophobicContact CG2-CD1 3.54Å; V149-I158 HydrophobicContact CG2-CG1 3.64Å; V149-I170 HydrophobicContact CG1-CD1 3.94Å; V149-I170 HydrophobicContact CG1-CG1 4.48Å; V149-I170 HydrophobicContact CG2-CD1 3.86Å
150	A	91.7	Very high	92.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.2	177.4	0	0	0	0	0	111.5	E131 L132 L134 V154 K155 Y384	E131-A150 WeakPolarHBondContact CA-O 3.27Å; L132-A150 PolarHBondContact N-O 2.89Å; L132-A150 PolarHBondContact O-N 2.91Å; L134-A150 HydrophobicContact CD1-CB 3.8Å; L134-A150 HydrophobicContact CD2-CB 4.49Å; L134-A150 HydrophobicContact CG-CB 4.12Å; A150-V154 VanDerWaalsContact CA-O 3.31Å; A150-V154 WeakPolarHBondContact CA-O 3.34Å; A150-K155 HydrophobicContact CB-CG 4.11Å; A150-Y384 HydrophobicContact CB-CD1 3.55Å; A150-Y384 HydrophobicContact CB-CE1 4.04Å; A150-Y384 HydrophobicContact CB-CG 4.2Å
151	S	88	Confident	93	Very high	30 Å²	30	20.9 Å²	20.9	21%	0.21	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.2	165.7	-169.2	0	0	0	0	108.3	H129 E130 E153 V154	H129-S151 WeakPolarHBondContact CE1-CB 3.42Å; H129-S151 PolarHBondContact CE1-OG 3.37Å; H129-S151 WeakPolarHBondContact NE2-CB 3.41Å; H129-S151 PolarHBondContact NE2-OG 3.48Å; E130-S151 PolarHBondContact O-OG 2.98Å; S151-E153 PolarHBondContact O-N 2.82Å; S151-V154 PolarHBondContact N-O 2.79Å; S151-V154 PolarHBondContact O-N 2.84Å
152	G	83.8	Confident	93.4	Very high	37 Å²	37	21.7 Å²	21.7	38%	0.381	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-114.7	-168.9	0	0	0	0	0	111.5
153	E	82.9	Confident	93.7	Very high	87 Å²	87	23.9 Å²	23.9	41%	0.407	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.1	-176.7	-56.3	178	143.1	0	0	113.6	S151 R373 Y374	S151-E153 PolarHBondContact O-N 2.82Å; E153-R373 IonicContact OE2-NE 2.79Å; E153-Y374 HydrophobicContact CB-CD1 3.92Å; E153-Y374 HydrophobicContact CB-CE1 3.88Å; E153-Y374 HydrophobicContact CG-CD1 4.38Å; E153-Y374 HydrophobicContact CG-CE1 3.82Å; E153-Y374 WeakPolarHBondContact OE1-CE1 3.46Å; E153-Y374 PolarHBondContact OE1-OH 2.58Å; E153-Y374 WeakPolarHBondContact OE2-CE1 2.97Å; E153-Y374 PolarHBondContact OE2-OH 2.75Å
154	V	87.7	Confident	93.8	Very high	24 Å²	24	20 Å²	20	15%	0.145	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.9	-173.9	-177.3	0	0	0	0	109.1	A150 S151 P371 G372	A150-V154 VanDerWaalsContact CA-O 3.31Å; A150-V154 WeakPolarHBondContact CA-O 3.34Å; S151-V154 PolarHBondContact N-O 2.79Å; S151-V154 PolarHBondContact O-N 2.84Å; V154-P371 HydrophobicContact CG1-CB 3.7Å; V154-P371 HydrophobicContact CG1-CG 4.33Å; V154-G372 WeakPolarHBondContact CG2-O 3.29Å
155	K	90.3	Very high	93.8	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.3	176.1	-59.4	176	-161.2	150.2	0	109.8	Y80 V82 L148 V149 A150 N375 D379 M381 R382	Y80-K155 WeakPolarHBondContact CE1-O 3.41Å; V82-K155 HydrophobicContact CG1-CB 4.3Å; V82-K155 HydrophobicContact CG2-CB 3.91Å; V82-K155 WeakPolarHBondContact CG2-O 3.45Å; L148-K155 HydrophobicContact CD1-CB 4.21Å; V149-K155 CarbonylContact O-C 3.57Å; V149-K155 VanDerWaalsContact O-CA 3.26Å; V149-K155 WeakPolarHBondContact O-CA 3.5Å; A150-K155 HydrophobicContact CB-CG 4.11Å; K155-N375 PolarHBondContact N-OD1 3.05Å; K155-N375 PolarHBondContact O-OD1 3.46Å; K155-D379 IonicContact NZ-OD2 3.72Å; K155-D379 PolarHBondContact NZ-OD2 3.17Å; K155-M381 PolarHBondContact NZ-O 3.05Å; K155-R382 WeakPolarHBondContact CE-O 3.5Å; K155-R382 PolarHBondContact NZ-O 3.16Å
156	R	92.6	Very high	93.7	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.6	174	62.7	179.7	-173.7	151.3	-2.7	112.8	Y80 D116 N118 E131 V149 I158 P371	Y80-R156 HydrophobicContact CE1-CB 4.18Å; Y80-R156 VanDerWaalsContact OH-CA 3.23Å; Y80-R156 WeakPolarHBondContact OH-CA 3.44Å; D116-R156 IonicContact OD2-CZ 3.18Å; D116-R156 IonicContact OD2-NH1 3.81Å; D116-R156 PolarHBondContact OD2-NH1 2.88Å; N118-R156 PolarHBondContact O-NH1 3.2Å; E131-R156 IonicContact OE1-CZ 3.92Å; E131-R156 IonicContact OE1-NE 2.85Å; E131-R156 PolarHBondContact OE1-NE 3.26Å; E131-R156 IonicContact OE1-NH2 3.14Å; E131-R156 PolarHBondContact OE1-NH2 3.15Å; E131-R156 IonicContact OE2-CZ 3.53Å; E131-R156 IonicContact OE2-NE 3.23Å; E131-R156 IonicContact OE2-NH2 3.7Å; E131-R156 PolarHBondContact OE2-NH2 3.2Å; V149-R156 PolarHBondContact N-O 3.37Å; V149-R156 PolarHBondContact O-N 3.3Å; R156-I158 HydrophobicContact CG-CG2 4.26Å; R156-P371 HydrophobicContact CB-CB 4.49Å; R156-P371 HydrophobicContact CB-CG 4.27Å
157	W	95.1	Very high	93.6	Very high	2 Å²	2	30 Å²	30	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.6	170.6	-68.6	104.1	0	0	0	108.8	Y80 V82 F113 M114 V115 D116 K137 I146 A147 L148 M381	Y80-W157 PolarHBondContact OH-N 3.06Å; V82-W157 PolarHBondContact O-NE1 2.86Å; F113-W157 HydrophobicContact CB-CG 4.43Å; F113-W157 AromaticContact CD1-CE2 3.74Å; F113-W157 HydrophobicContact CD1-CZ2 4.01Å; F113-W157 AromaticContact CD1-NE1 3.51Å; F113-W157 HydrophobicContact CE1-CZ2 4.05Å; M114-W157 WeakPolarHBondContact O-CB 3.47Å; V115-W157 CarbonylContact C-O 3.59Å; V115-W157 WeakPolarHBondContact CA-O 3.43Å; V115-W157 HydrophobicContact CG2-CB 4.14Å; D116-W157 PolarHBondContact N-O 2.77Å; K137-W157 HydrophobicContact CB-CH2 4.16Å; K137-W157 HydrophobicContact CB-CZ3 3.99Å; K137-W157 HydrophobicContact CD-CH2 3.92Å; K137-W157 HydrophobicContact CD-CZ3 4.49Å; I146-W157 HydrophobicContact CB-CE3 3.98Å; I146-W157 HydrophobicContact CD1-CD2 3.68Å; I146-W157 HydrophobicContact CD1-CE3 3.35Å; I146-W157 HydrophobicContact CD1-CG 4.2Å; I146-W157 HydrophobicContact CD1-CH2 4.4Å; I146-W157 HydrophobicContact CD1-CZ3 3.74Å; I146-W157 HydrophobicContact CG1-CD2 4.35Å; I146-W157 HydrophobicContact CG1-CE3 3.52Å; I146-W157 HydrophobicContact CG1-CZ3 3.73Å; A147-W157 VanDerWaalsContact C-CE3 3.43Å; A147-W157 CarbonylContact O-C 3.56Å; A147-W157 VanDerWaalsContact O-CA 3.31Å; A147-W157 WeakPolarHBondContact O-CA 3.24Å; L148-W157 HydrophobicContact CB-CD2 4.25Å; L148-W157 HydrophobicContact CB-CE3 3.8Å; L148-W157 HydrophobicContact CB-CH2 3.68Å; L148-W157 HydrophobicContact CB-CZ2 4.13Å; L148-W157 HydrophobicContact CB-CZ3 3.52Å; L148-W157 HydrophobicContact CD1-CD2 4.09Å; L148-W157 HydrophobicContact CD1-CE3 4.49Å; L148-W157 HydrophobicContact CD1-CZ2 4.19Å; L148-W157 HydrophobicContact CD2-CZ2 4.5Å; L148-W157 VanDerWaalsContact N-CE3 3.31Å; L148-W157 VanDerWaalsContact N-CZ3 3.32Å; W157-M381 HydrophobicContact CZ2-CE 3.98Å
158	I	95.7	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	169.4	171.1	61.3	162.9	0	0	0	109.5	R119 I146 A147 V149 R156 M164 I170	R119-I158 VanDerWaalsContact NH2-CD1 3.34Å; I146-I158 CarbonylContact C-O 3.57Å; I146-I158 WeakPolarHBondContact CA-O 3.19Å; I146-I158 VanDerWaalsContact CB-O 3.31Å; I146-I158 WeakPolarHBondContact CB-O 3.09Å; A147-I158 HydrophobicContact CB-CD1 4.39Å; A147-I158 HydrophobicContact CB-CG1 3.94Å; A147-I158 PolarHBondContact N-O 3.11Å; A147-I158 PolarHBondContact O-N 3.36Å; V149-I158 HydrophobicContact CG2-CD1 3.54Å; V149-I158 HydrophobicContact CG2-CG1 3.64Å; R156-I158 HydrophobicContact CG-CG2 4.26Å; I158-M164 HydrophobicContact CD1-CE 4.16Å; I158-M164 HydrophobicContact CD1-SD 4.32Å; I158-I170 HydrophobicContact CD1-CD1 3.56Å
159	I	97.1	Very high	93.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.8	167.4	-54	177.8	0	0	0	107.8	V115 P144 Q202 R215 V277	V115-I159 HydrophobicContact CG1-CG1 3.88Å; P144-I159 HydrophobicContact CB-CG2 3.73Å; P144-I159 HydrophobicContact CG-CG2 3.82Å; I159-Q202 PolarHBondContact O-OE1 3.11Å; I159-R215 HydrophobicContact CD1-CB 3.88Å; I159-R215 HydrophobicContact CD1-CG 4.08Å; I159-V277 HydrophobicContact CG2-CG1 3.72Å
160	A	98	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-79.9	142.5	179.2	0	0	0	0	0	111.3	V136 F145 A147 M164 S278	V136-A160 HydrophobicContact CG1-CB 4.04Å; F145-A160 HydrophobicContact CB-CB 4.26Å; F145-A160 PolarHBondContact O-N 2.97Å; A147-A160 HydrophobicContact CB-CB 4.1Å; A160-M164 HydrophobicContact CB-CB 4.45Å; A160-M164 HydrophobicContact CB-SD 3.89Å; A160-S278 WeakPolarHBondContact O-CB 3.06Å; A160-S278 PolarHBondContact O-N 3.47Å; A160-S278 PolarHBondContact O-OG 2.95Å
161	T	97.6	Very high	93.7	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.025	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-77.8	172.1	163.8	57.9	0	0	0	0	110.2	M164 V273 Q276 S278	T161-M164 HydrophobicContact CG2-CE 4.45Å; T161-V273 HydrophobicContact CG2-CG1 3.75Å; T161-Q276 CarbonylContact C-O 3.57Å; T161-Q276 VanDerWaalsContact CA-O 3.23Å; T161-Q276 WeakPolarHBondContact CA-O 3.4Å; T161-Q276 WeakPolarHBondContact CB-O 3.38Å; T161-S278 WeakPolarHBondContact O-CB 3.49Å
162	V	96.8	Very high	94	Very high	42 Å²	42	38.7 Å²	38.7	26%	0.255	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-53.5	-174.4	171.5	0	0	0	0	112.8	M164 Q276 V277 Q280	V162-M164 VanDerWaalsContact C-N 3.32Å; V162-Q276 HydrophobicContact CG2-CB 3.82Å; V162-Q276 HydrophobicContact CG2-CG 4.05Å; V162-Q276 WeakPolarHBondContact CG2-O 3.39Å; V162-Q276 PolarHBondContact N-O 3.3Å; V162-V277 WeakPolarHBondContact CG2-O 3.09Å; V162-Q280 HydrophobicContact CG1-CG 4.28Å; V162-Q280 HydrophobicContact CG2-CG 3.55Å
163	N	96.4	Very high	94.4	Very high	92 Å²	92	38.6 Å²	38.6	49%	0.492	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.3	-171.1	-63.4	-37.1	0	0	0	113.3	K165 E185	N163-K165 PolarHBondContact O-N 3.35Å; N163-E185 VanDerWaalsContact CB-OE2 3.31Å; N163-E185 WeakPolarHBondContact CB-OE2 3.47Å; N163-E185 PolarHBondContact ND2-OE1 3.14Å; N163-E185 PolarHBondContact ND2-OE2 3.02Å
164	M	97.1	Very high	94.8	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.069	20%	0.2	C	C	.	.			trans	-64.9	124.3	-179.4	-172	173.2	-75.6	0	0	111.1	V133 V136 A147 I158 A160 T161 V162 I170	V133-M164 HydrophobicContact CG1-CG 4.11Å; V133-M164 HydrophobicContact CG1-SD 4.48Å; V133-M164 HydrophobicContact CG2-CG 3.93Å; V133-M164 HydrophobicContact CG2-SD 4.06Å; V136-M164 HydrophobicContact CG2-CG 4.21Å; A147-M164 HydrophobicContact CB-CG 4.49Å; A147-M164 HydrophobicContact CB-SD 3.37Å; A147-M164 WeakPolarHBondContact CB-SD 3.35Å; I158-M164 HydrophobicContact CD1-CE 4.16Å; I158-M164 HydrophobicContact CD1-SD 4.32Å; A160-M164 HydrophobicContact CB-CB 4.45Å; A160-M164 HydrophobicContact CB-SD 3.89Å; T161-M164 HydrophobicContact CG2-CE 4.45Å; V162-M164 VanDerWaalsContact C-N 3.32Å; M164-I170 HydrophobicContact CE-CG2 4.06Å
165	K	96.8	Very high	94.9	Very high	138 Å²	138	37.2 Å²	37.2	60%	0.6	20%	0.202	S	C	*	.			trans	-122.8	156.3	179.5	-67.6	172.5	-172.1	176.4	0	111	V133 N163 G167 D168	V133-K165 WeakPolarHBondContact CB-O 3.39Å; V133-K165 WeakPolarHBondContact CG1-O 3.24Å; N163-K165 PolarHBondContact O-N 3.35Å; K165-G167 PolarHBondContact O-N 2.71Å; K165-D168 PolarHBondContact N-OD2 2.68Å; K165-D168 WeakPolarHBondContact O-CB 3.4Å; K165-D168 PolarHBondContact O-N 3.02Å
166	P	96.8	Very high	94.9	Very high	84 Å²	84	39.1 Å²	39.1	55%	0.545	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	134.4	167.6	-20.1	33.1	0	0	0	110.7	V133	V133-P166 WeakPolarHBondContact O-CA 3.42Å
167	G	94.8	Very high	94.8	Very high	48 Å²	48	41 Å²	41	50%	0.495	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	-14.2	-176	0	0	0	0	0	114.3	L132 V133 K165	L132-G167 WeakPolarHBondContact CD1-O 3.25Å; V133-G167 PolarHBondContact O-N 2.82Å; K165-G167 PolarHBondContact O-N 2.71Å
168	D	95.9	Very high	94.5	Very high	63 Å²	63	45.8 Å²	45.8	34%	0.337	25%	0.254	S	S	.	.			trans	-67.6	140.3	176.2	-66.9	-14.5	0	0	0	111	V133 K165	V133-D168 HydrophobicContact CB-CB 4.41Å; V133-D168 HydrophobicContact CG2-CB 4.17Å; V133-D168 WeakPolarHBondContact CG2-O 3.13Å; V133-D168 PolarHBondContact N-O 3.42Å; K165-D168 PolarHBondContact N-OD2 2.68Å; K165-D168 WeakPolarHBondContact O-CB 3.4Å; K165-D168 PolarHBondContact O-N 3.02Å
169	V	95.5	Very high	94.3	Very high	47 Å²	47	52.1 Å²	52.1	29%	0.285	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120	170.3	-178.4	0	0	0	0	108.5	E130 E131 L132	E130-V169 HydrophobicContact CB-CG1 4.14Å; E131-V169 WeakPolarHBondContact O-CA 3.32Å; L132-V169 HydrophobicContact CD1-CG2 3.88Å
170	I	95.2	Very high	94.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142	175.3	65.6	-171.7	0	0	0	110.1	R119 E131 V133 V149 I158 M164 D187	R119-I170 VanDerWaalsContact NH1-CD1 3.26Å; E131-I170 HydrophobicContact CB-CD1 4.08Å; E131-I170 HydrophobicContact CB-CG1 3.48Å; E131-I170 VanDerWaalsContact CB-CG1 3.48Å; E131-I170 PolarHBondContact N-O 2.96Å; E131-I170 WeakPolarHBondContact O-CG1 3.49Å; E131-I170 PolarHBondContact O-N 2.92Å; V133-I170 HydrophobicContact CG2-CD1 4.39Å; V133-I170 HydrophobicContact CG2-CG2 4.08Å; V149-I170 HydrophobicContact CG1-CD1 3.94Å; V149-I170 HydrophobicContact CG1-CG1 4.48Å; V149-I170 HydrophobicContact CG2-CD1 3.86Å; I158-I170 HydrophobicContact CD1-CD1 3.56Å; M164-I170 HydrophobicContact CE-CG2 4.06Å; I170-D187 WeakPolarHBondContact CA-OD1 3.49Å
171	R	94.1	Very high	93.9	Very high	113 Å²	113	56.8 Å²	56.8	43%	0.426	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.5	-177.5	-62.4	-177.3	164	165.2	-3.1	110.7	I128 H129 E130 D187 A188	I128-R171 HydrophobicContact CG2-CB 4.2Å; I128-R171 HydrophobicContact CG2-CG 4.28Å; H129-R171 CarbonylContact O-C 3.49Å; H129-R171 WeakPolarHBondContact O-CA 3.19Å; E130-R171 HydrophobicContact CG-CG 4.27Å; E130-R171 IonicContact OE1-CZ 2.85Å; E130-R171 VanDerWaalsContact OE1-CZ 3.23Å; E130-R171 IonicContact OE1-NE 3.67Å; E130-R171 PolarHBondContact OE1-NE 2.66Å; E130-R171 IonicContact OE1-NH2 3.86Å; E130-R171 PolarHBondContact OE1-NH2 2.84Å; R171-D187 HydrophobicContact CB-CB 4.49Å; R171-D187 PolarHBondContact N-OD1 3.06Å; R171-D187 CarbonylContact O-C 3.59Å; R171-D187 VanDerWaalsContact O-CA 3.26Å; R171-D187 WeakPolarHBondContact O-CA 3.41Å; R171-D187 WeakPolarHBondContact O-CB 3.1Å; R171-A188 PolarHBondContact O-N 3.37Å
172	S	93.4	Very high	93.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	171.5	-58.4	0	0	0	0	109.3	H129 A188	H129-S172 PolarHBondContact N-O 2.87Å; H129-S172 PolarHBondContact O-N 3.2Å; S172-A188 WeakPolarHBondContact CA-O 3.32Å
173	H	92.7	Very high	93.8	Very high	35 Å²	35	63.3 Å²	63.3	16%	0.162	35%	0.352	C	S	.	.			trans	-136.9	137.9	179.7	-173.7	-98.9	0	0	0	110.1	D175 A188 P190	H173-D175 VanDerWaalsContact CE1-CB 3.49Å; H173-D175 WeakPolarHBondContact CE1-CB 3.27Å; H173-D175 PolarHBondContact ND1-N 2.82Å; H173-D175 PolarHBondContact ND1-O 3.22Å; H173-A188 PolarHBondContact N-O 2.81Å; H173-P190 WeakPolarHBondContact O-CD 3.39Å
174	V	90.8	Very high	93.9	Very high	44 Å²	44	64 Å²	64	27%	0.267	35%	0.351	S	S	.	.			trans	-100.8	-26.4	-172.1	178.2	0	0	0	0	112.7	V123 P190 M271	V123-V174 HydrophobicContact CB-CG2 3.77Å; V123-V174 HydrophobicContact CG1-CG2 3.92Å; V123-V174 HydrophobicContact CG2-CG2 4.35Å; V174-P190 WeakPolarHBondContact O-CG 3.47Å; V174-M271 HydrophobicContact CG2-SD 4.48Å
175	D	89.4	Confident	93.8	Very high	38 Å²	38	67.9 Å²	67.9	20%	0.203	37%	0.369	C	S	.	.			trans	-79.2	155.1	-174.7	-45	-10.4	0	0	0	111.9	T125 K126 H173 P177	T125-D175 WeakPolarHBondContact CG2-OD1 3.34Å; K126-D175 WeakPolarHBondContact CA-OD2 3.24Å; K126-D175 WeakPolarHBondContact CG-OD2 3.33Å; K126-D175 PolarHBondContact N-OD1 2.98Å; K126-D175 VanDerWaalsContact N-OD1 3.08Å; K126-D175 PolarHBondContact N-OD2 2.87Å; H173-D175 VanDerWaalsContact CE1-CB 3.49Å; H173-D175 WeakPolarHBondContact CE1-CB 3.27Å; H173-D175 PolarHBondContact ND1-N 2.82Å; H173-D175 PolarHBondContact ND1-O 3.22Å; D175-P177 WeakPolarHBondContact O-CD 3.34Å
176	I	91.2	Very high	93.8	Very high	46 Å²	46	61.4 Å²	61.4	24%	0.236	34%	0.341	C	S	.	.			trans	-105.2	103	178.5	-57.4	167.6	0	0	0	108.5	P190 V230 P268 T269	I176-P190 HydrophobicContact CD1-CB 4.41Å; I176-P190 HydrophobicContact CG1-CB 3.91Å; I176-P190 HydrophobicContact CG1-CG 3.6Å; I176-V230 HydrophobicContact CG2-CG1 4.47Å; I176-P268 HydrophobicContact CD1-CB 3.99Å; I176-P268 HydrophobicContact CD1-CG 4.44Å; I176-T269 HydrophobicContact CD1-CG2 3.98Å
177	P	90.1	Very high	93.7	Very high	43 Å²	43	57.8 Å²	57.8	28%	0.279	32%	0.317	S	S	.	.			trans	-72.7	156.2	175.1	28	-32.1	0	0	0	112.2	D175 I179 V181 A193	D175-P177 WeakPolarHBondContact O-CD 3.34Å; P177-I179 WeakPolarHBondContact CB-O 3.28Å; P177-I179 VanDerWaalsContact CG-O 3.24Å; P177-I179 WeakPolarHBondContact CG-O 3.17Å; P177-V181 HydrophobicContact CG-CG2 3.49Å; P177-V181 VanDerWaalsContact CG-CG2 3.49Å; P177-A193 HydrophobicContact CG-CB 4.48Å
178	T	89.1	Confident	93.8	Very high	102 Å²	102	55.5 Å²	55.5	63%	0.626	29%	0.294	S	S	*	.	S	Bend	trans	-59.7	-47.1	173.7	-46.5	0	0	0	0	111.1	G231	T178-G231 WeakPolarHBondContact CA-O 3.44Å
179	I	92	Very high	93.8	Very high	134 Å²	134	53 Å²	53	69%	0.687	28%	0.28	S	S	*	.	S	Bend	trans	-85.8	129.6	174.7	-60.5	172.5	0	0	0	108.1	P177	P177-I179 WeakPolarHBondContact CB-O 3.28Å; P177-I179 VanDerWaalsContact CG-O 3.24Å; P177-I179 WeakPolarHBondContact CG-O 3.17Å
180	P	93.2	Very high	93.7	Very high	60 Å²	60	50.8 Å²	50.8	39%	0.39	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-57.1	141.7	176.9	-18.8	27.8	0	0	0	112.8	A193 P195	P180-A193 CarbonylContact C-O 3.56Å; P180-A193 VanDerWaalsContact CA-O 3.27Å; P180-A193 WeakPolarHBondContact CA-O 3.33Å; P180-P195 HydrophobicContact CB-CB 4.07Å; P180-P195 HydrophobicContact CB-CG 4.31Å
181	V	93.9	Very high	93.7	Very high	41 Å²	41	50.6 Å²	50.6	25%	0.248	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.9	145	177.1	-176.8	0	0	0	0	110.3	P177 P183 A193 P195	P177-V181 HydrophobicContact CG-CG2 3.49Å; P177-V181 VanDerWaalsContact CG-CG2 3.49Å; V181-P183 WeakPolarHBondContact O-CD 3.36Å; V181-A193 HydrophobicContact CG2-CB 4.24Å; V181-A193 PolarHBondContact N-O 3.08Å; V181-P195 VanDerWaalsContact O-CD 3.24Å; V181-P195 WeakPolarHBondContact O-CD 3.21Å
182	D	95.8	Very high	93.7	Very high	137 Å²	137	45.2 Å²	45.2	73%	0.733	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-65	118.1	171.9	-174	27.9	0	0	0	111.1	K184	D182-K184 PolarHBondContact O-N 3.43Å
183	P	96.4	Very high	93.8	Very high	46 Å²	46	45.2 Å²	45.2	30%	0.299	25%	0.245	S	C	.	.			trans	-76.1	95	-173.6	31.6	-38.9	0	0	0	112.4	V181 L194 P195 T198 V274	V181-P183 WeakPolarHBondContact O-CD 3.36Å; P183-L194 HydrophobicContact CB-CD2 4.31Å; P183-P195 HydrophobicContact CG-CG 4.21Å; P183-T198 HydrophobicContact CB-CG2 3.72Å; P183-T198 HydrophobicContact CG-CG2 3.72Å; P183-V274 HydrophobicContact CB-CG1 3.77Å; P183-V274 HydrophobicContact CB-CG2 4.29Å
184	K	96.7	Very high	94	Very high	108 Å²	108	43.6 Å²	43.6	47%	0.47	24%	0.238	S	C	.	.			trans	-87.5	133.9	169.8	-171	-177	-179	-167.5	0	111.7	D182 G186 D187 V274	D182-K184 PolarHBondContact O-N 3.43Å; K184-G186 PolarHBondContact O-N 3.02Å; K184-D187 WeakPolarHBondContact CB-OD2 3.4Å; K184-D187 WeakPolarHBondContact O-CB 3.34Å; K184-D187 PolarHBondContact O-N 2.95Å; K184-V274 VanDerWaalsContact O-CB 3.27Å; K184-V274 WeakPolarHBondContact O-CB 3.31Å; K184-V274 WeakPolarHBondContact O-CG1 3.5Å
185	E	96.2	Very high	94.2	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	135	-178.8	-64.8	-169.6	169.4	0	0	113.1	N163 D187	N163-E185 VanDerWaalsContact CB-OE2 3.31Å; N163-E185 WeakPolarHBondContact CB-OE2 3.47Å; N163-E185 PolarHBondContact ND2-OE1 3.14Å; N163-E185 PolarHBondContact ND2-OE2 3.02Å; E185-D187 VanDerWaalsContact C-N 3.3Å
186	G	95.8	Very high	94.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-21.9	-179.1	0	0	0	0	0	114.5	R119 K184 V274	R119-G186 PolarHBondContact NH2-O 3.14Å; K184-G186 PolarHBondContact O-N 3.02Å; G186-V274 PolarHBondContact N-O 3.37Å
187	D	96.2	Very high	94.9	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.043	27%	0.265	C	S	.	.			trans	-72.1	151.2	176.2	-68.9	-4.5	0	0	0	111	I170 R171 K184 E185 V273 V274	I170-D187 WeakPolarHBondContact CA-OD1 3.49Å; R171-D187 HydrophobicContact CB-CB 4.49Å; R171-D187 PolarHBondContact N-OD1 3.06Å; R171-D187 CarbonylContact O-C 3.59Å; R171-D187 VanDerWaalsContact O-CA 3.26Å; R171-D187 WeakPolarHBondContact O-CA 3.41Å; R171-D187 WeakPolarHBondContact O-CB 3.1Å; K184-D187 WeakPolarHBondContact CB-OD2 3.4Å; K184-D187 WeakPolarHBondContact O-CB 3.34Å; K184-D187 PolarHBondContact O-N 2.95Å; E185-D187 VanDerWaalsContact C-N 3.3Å; D187-V273 CarbonylContact O-C 3.48Å; D187-V273 WeakPolarHBondContact O-CA 3.43Å; D187-V274 PolarHBondContact O-N 3.04Å
188	A	96	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.8	-176.4	0	0	0	0	0	111.3	R119 R171 S172 H173 M271 S272 V273	R119-A188 HydrophobicContact CB-CB 3.53Å; R119-A188 HydrophobicContact CG-CB 3.71Å; R171-A188 PolarHBondContact O-N 3.37Å; S172-A188 WeakPolarHBondContact CA-O 3.32Å; H173-A188 PolarHBondContact N-O 2.81Å; A188-M271 HydrophobicContact CB-CE 4.03Å; A188-S272 CarbonylContact C-O 3.58Å; A188-S272 VanDerWaalsContact CA-O 3.22Å; A188-S272 WeakPolarHBondContact CA-O 3.37Å; A188-V273 HydrophobicContact CB-CG2 4.18Å
189	H	95.4	Very high	95.6	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.4	-178.6	-66.4	-69.3	0	0	0	110.7	A193 L194 S272	H189-A193 HydrophobicContact CB-CB 4.41Å; H189-L194 HydrophobicContact CB-CD1 4.44Å; H189-L194 HydrophobicContact CB-CD2 4Å; H189-L194 HydrophobicContact CB-CG 4.06Å; H189-S272 PolarHBondContact N-O 2.94Å; H189-S272 PolarHBondContact O-N 3.16Å; H189-S272 VanDerWaalsContact O-O 3.06Å; H189-S272 PolarHBondContact O-OG 3.06Å; H189-S272 VanDerWaalsContact O-OG 3.07Å
190	P	95	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	142.7	164.9	29.8	-37.6	0	0	0	109.4	H173 V174 I176 G192 A193 P268 C270 M271	H173-P190 WeakPolarHBondContact O-CD 3.39Å; V174-P190 WeakPolarHBondContact O-CG 3.47Å; I176-P190 HydrophobicContact CD1-CB 4.41Å; I176-P190 HydrophobicContact CG1-CB 3.91Å; I176-P190 HydrophobicContact CG1-CG 3.6Å; P190-G192 PolarHBondContact O-N 3.18Å; P190-G192 VanDerWaalsContact O-N 3.11Å; P190-A193 HydrophobicContact CG-CB 3.68Å; P190-A193 WeakPolarHBondContact O-CB 3.2Å; P190-A193 PolarHBondContact O-N 2.93Å; P190-P268 WeakPolarHBondContact CB-O 3.21Å; P190-C270 CarbonylContact C-O 3.57Å; P190-C270 WeakPolarHBondContact CA-O 3.32Å; P190-M271 HydrophobicContact CB-SD 4.36Å
191	V	95.3	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30.1	-177	170.5	0	0	0	0	111.5	I200 I223 V253 V255 L266 P268 C270	V191-I200 HydrophobicContact CG2-CD1 4.15Å; V191-I223 HydrophobicContact CG1-CD1 3.99Å; V191-I223 HydrophobicContact CG1-CG1 4.47Å; V191-I223 WeakPolarHBondContact O-CD1 3.38Å; V191-V253 HydrophobicContact CG1-CB 3.69Å; V191-V253 HydrophobicContact CG1-CG1 3.42Å; V191-V253 VanDerWaalsContact CG1-CG1 3.42Å; V191-V253 HydrophobicContact CG1-CG2 4.21Å; V191-V255 HydrophobicContact CG1-CG2 3.83Å; V191-L266 HydrophobicContact CG2-CD1 4.48Å; V191-P268 PolarHBondContact N-O 2.8Å; V191-C270 VanDerWaalsContact CG2-O 3.32Å; V191-C270 WeakPolarHBondContact CG2-O 3.28Å; V191-C270 PolarHBondContact N-O 2.78Å
192	G	94	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-71.4	-22.6	175.8	0	0	0	0	0	115.4	P190 L194 R226 P268	P190-G192 PolarHBondContact O-N 3.18Å; P190-G192 VanDerWaalsContact O-N 3.11Å; G192-L194 VanDerWaalsContact C-N 3.33Å; G192-R226 PolarHBondContact O-NE 2.99Å; G192-R226 PolarHBondContact O-NH1 3.29Å; G192-P268 PolarHBondContact N-O 3.23Å
193	A	94.4	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-79	-19.3	178.6	0	0	0	0	0	113	P177 P180 V181 H189 P190	P177-A193 HydrophobicContact CG-CB 4.48Å; P180-A193 CarbonylContact C-O 3.56Å; P180-A193 VanDerWaalsContact CA-O 3.27Å; P180-A193 WeakPolarHBondContact CA-O 3.33Å; V181-A193 HydrophobicContact CG2-CB 4.24Å; V181-A193 PolarHBondContact N-O 3.08Å; H189-A193 HydrophobicContact CB-CB 4.41Å; P190-A193 HydrophobicContact CG-CB 3.68Å; P190-A193 WeakPolarHBondContact O-CB 3.2Å; P190-A193 PolarHBondContact O-N 2.93Å
194	L	96.6	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-86.7	149.3	-174.1	-66.1	172.6	0	0	0	111.7	P183 H189 G192 T198 I200 I223 V274	P183-L194 HydrophobicContact CB-CD2 4.31Å; H189-L194 HydrophobicContact CB-CD1 4.44Å; H189-L194 HydrophobicContact CB-CD2 4Å; H189-L194 HydrophobicContact CB-CG 4.06Å; G192-L194 VanDerWaalsContact C-N 3.33Å; L194-T198 HydrophobicContact CB-CG2 4.43Å; L194-I200 HydrophobicContact CD1-CG2 3.54Å; L194-I223 HydrophobicContact CB-CD1 3.56Å; L194-I223 HydrophobicContact CD1-CD1 4.04Å; L194-I223 HydrophobicContact CG-CD1 4.44Å; L194-V274 HydrophobicContact CD1-CG2 4Å; L194-V274 HydrophobicContact CD2-CG2 3.65Å
195	P	96.6	Very high	95.8	Very high	38 Å²	38	20.2 Å²	20.2	25%	0.247	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-68	156.7	172.5	18.4	-23.2	0	0	0	112.1	P180 V181 P183 T198	P180-P195 HydrophobicContact CB-CB 4.07Å; P180-P195 HydrophobicContact CB-CG 4.31Å; V181-P195 VanDerWaalsContact O-CD 3.24Å; V181-P195 WeakPolarHBondContact O-CD 3.21Å; P183-P195 HydrophobicContact CG-CG 4.21Å; P195-T198 HydrophobicContact CB-CG2 4.29Å; P195-T198 HydrophobicContact CG-CG2 3.54Å; P195-T198 WeakPolarHBondContact O-CB 3.01Å; P195-T198 WeakPolarHBondContact O-CG2 3.15Å; P195-T198 PolarHBondContact O-N 3.2Å; P195-T198 PolarHBondContact O-OG1 3.48Å
196	V	96.7	Very high	95.5	Very high	84 Å²	84	20.6 Å²	20.6	51%	0.509	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	142.1	173.6	-179	0	0	0	0	109.3	T198 F224 R226	V196-T198 VanDerWaalsContact C-N 3.34Å; V196-F224 WeakPolarHBondContact CG1-O 3.49Å; V196-R226 HydrophobicContact CG2-CB 3.59Å
197	G	96.8	Very high	95.1	Very high	50 Å²	50	23.6 Å²	23.6	52%	0.515	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-12.2	-175.6	0	0	0	0	0	114.1	I199 I223	G197-I199 PolarHBondContact O-N 3.37Å; G197-I223 WeakPolarHBondContact CA-O 3.35Å; G197-I223 PolarHBondContact N-O 2.72Å
198	T	97.6	Very high	94.6	Very high	12 Å²	12	24.9 Å²	24.9	7%	0.074	16%	0.155	C	C	.	.			trans	-60.9	138.5	177.5	50.2	0	0	0	0	112.4	P183 L194 P195 V196 T222 I223	P183-T198 HydrophobicContact CB-CG2 3.72Å; P183-T198 HydrophobicContact CG-CG2 3.72Å; L194-T198 HydrophobicContact CB-CG2 4.43Å; P195-T198 HydrophobicContact CB-CG2 4.29Å; P195-T198 HydrophobicContact CG-CG2 3.54Å; P195-T198 WeakPolarHBondContact O-CB 3.01Å; P195-T198 WeakPolarHBondContact O-CG2 3.15Å; P195-T198 PolarHBondContact O-N 3.2Å; P195-T198 PolarHBondContact O-OG1 3.48Å; V196-T198 VanDerWaalsContact C-N 3.34Å; T198-T222 WeakPolarHBondContact O-CA 3.39Å; T198-I223 PolarHBondContact O-N 3.23Å; T198-I223 WeakPolarHBondContact OG1-CD1 3.47Å; T198-I223 WeakPolarHBondContact OG1-CG1 3.45Å
199	I	97.8	Very high	94.1	Very high	85 Å²	85	28.6 Å²	28.6	44%	0.436	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.7	173	-59.2	173.5	0	0	0	107.3	G197 A221 T222 G275	G197-I199 PolarHBondContact O-N 3.37Å; I199-A221 CarbonylContact C-O 3.59Å; I199-A221 WeakPolarHBondContact CA-O 3.28Å; I199-T222 HydrophobicContact CG1-CG2 4.04Å; I199-G275 PolarHBondContact O-N 3.21Å
200	I	97.9	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.9	179.5	63.1	170.3	0	0	0	111.3	V191 L194 F203 S220 A221 I223 V255 V273 G275	V191-I200 HydrophobicContact CG2-CD1 4.15Å; L194-I200 HydrophobicContact CD1-CG2 3.54Å; I200-F203 HydrophobicContact CD1-CB 4.39Å; I200-F203 HydrophobicContact CD1-CD1 4.43Å; I200-S220 CarbonylContact O-C 3.54Å; I200-S220 WeakPolarHBondContact O-CA 3.22Å; I200-A221 HydrophobicContact CG1-CB 4.21Å; I200-A221 PolarHBondContact N-O 3.4Å; I200-A221 PolarHBondContact O-N 3.04Å; I200-I223 HydrophobicContact CD1-CD1 4.44Å; I200-I223 HydrophobicContact CD1-CG1 3.97Å; I200-I223 HydrophobicContact CG1-CG1 4.41Å; I200-I223 HydrophobicContact CG2-CD1 4.28Å; I200-I223 HydrophobicContact CG2-CG1 4.27Å; I200-V255 HydrophobicContact CD1-CG1 3.93Å; I200-V255 HydrophobicContact CD1-CG2 3.92Å; I200-V255 HydrophobicContact CG1-CG1 4.44Å; I200-V273 CarbonylContact C-O 3.55Å; I200-V273 VanDerWaalsContact CA-O 3.3Å; I200-V273 WeakPolarHBondContact CA-O 3.44Å; I200-G275 CarbonylContact C-O 3.46Å; I200-G275 VanDerWaalsContact C-O 3.23Å
201	S	96.7	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	172.3	172.5	60.6	0	0	0	0	109.6	F203 V273 G275	S201-F203 VanDerWaalsContact C-N 3.3Å; S201-F203 PolarHBondContact O-N 3.41Å; S201-F203 VanDerWaalsContact O-N 3.14Å; S201-V273 PolarHBondContact N-O 3.38Å; S201-V273 PolarHBondContact O-N 3.33Å; S201-G275 WeakPolarHBondContact CB-O 3.21Å; S201-G275 PolarHBondContact N-O 3.13Å; S201-G275 VanDerWaalsContact N-O 3.17Å; S201-G275 PolarHBondContact OG-O 3.12Å
202	Q	96.5	Very high	93.7	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	19%	0.194	C	C	.	.	S	Bend	trans	49.9	46.4	174.4	-52.7	-174.5	-94.4	0	0	114.3	I159 A211 F213 C214 V273 V277	I159-Q202 PolarHBondContact O-OE1 3.11Å; Q202-A211 VanDerWaalsContact C-CB 3.43Å; Q202-A211 HydrophobicContact CB-CB 3.68Å; Q202-A211 WeakPolarHBondContact O-CB 3.45Å; Q202-F213 WeakPolarHBondContact CA-O 3.27Å; Q202-C214 PolarHBondContact N-O 3.43Å; Q202-V273 HydrophobicContact CB-CB 4.2Å; Q202-V273 HydrophobicContact CB-CG2 3.98Å; Q202-V277 HydrophobicContact CG-CG2 4.48Å
203	F	95.7	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.			trans	-87.9	151.1	179.2	68.3	-93.7	0	0	0	112.5	I200 S201 L212 F213 C214 A221 V255 T257 Y264 L266 M271	I200-F203 HydrophobicContact CD1-CB 4.39Å; I200-F203 HydrophobicContact CD1-CD1 4.43Å; S201-F203 VanDerWaalsContact C-N 3.3Å; S201-F203 PolarHBondContact O-N 3.41Å; S201-F203 VanDerWaalsContact O-N 3.14Å; F203-L212 PolarHBondContact O-N 3.32Å; F203-F213 HydrophobicContact CD1-CB 3.99Å; F203-F213 HydrophobicContact CD2-CB 3.91Å; F203-F213 HydrophobicContact CD2-CD2 4.18Å; F203-F213 HydrophobicContact CD2-CG 4.46Å; F203-F213 HydrophobicContact CE1-CB 3.55Å; F203-F213 HydrophobicContact CE1-CG 4.43Å; F203-F213 HydrophobicContact CE2-CB 3.45Å; F203-F213 VanDerWaalsContact CE2-CB 3.45Å; F203-F213 AromaticContact CE2-CD2 3.45Å; F203-F213 HydrophobicContact CE2-CD2 3.45Å; F203-F213 VanDerWaalsContact CE2-CD2 3.45Å; F203-F213 HydrophobicContact CE2-CE2 4.4Å; F203-F213 AromaticContact CE2-CG 3.69Å; F203-F213 HydrophobicContact CE2-CG 3.69Å; F203-F213 HydrophobicContact CG-CB 4.17Å; F203-F213 HydrophobicContact CZ-CB 3.25Å; F203-F213 HydrophobicContact CZ-CD1 4.47Å; F203-F213 AromaticContact CZ-CD2 3.92Å; F203-F213 HydrophobicContact CZ-CD2 3.92Å; F203-F213 AromaticContact CZ-CG 3.67Å; F203-F213 HydrophobicContact CZ-CG 3.67Å; F203-F213 PolarHBondContact O-N 2.97Å; F203-C214 HydrophobicContact CD1-CB 4.3Å; F203-C214 HydrophobicContact CE1-CB 4.24Å; F203-A221 HydrophobicContact CD1-CB 4.36Å; F203-A221 HydrophobicContact CE1-CB 3.83Å; F203-V255 HydrophobicContact CD1-CG1 4.37Å; F203-V255 HydrophobicContact CE1-CG1 4.01Å; F203-V255 HydrophobicContact CZ-CG1 4.17Å; F203-T257 HydrophobicContact CZ-CG2 4.48Å; F203-Y264 HydrophobicContact CZ-CD2 4.14Å; F203-L266 HydrophobicContact CD2-CD1 3.61Å; F203-L266 HydrophobicContact CD2-CD2 4.37Å; F203-L266 HydrophobicContact CE2-CD1 3.86Å; F203-L266 HydrophobicContact CE2-CD2 4.38Å; F203-L266 HydrophobicContact CG-CD1 4.41Å; F203-M271 VanDerWaalsContact CA-O 3.28Å; F203-M271 WeakPolarHBondContact CA-O 3.49Å
204	E	94.2	Very high	93.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	21%	0.21	C	C	.	.			trans	-81.1	154.9	179.2	-58.2	-168.8	141.2	0	0	112.2	K206 P207 G208 G210 C270 M271	E204-K206 WeakPolarHBondContact CB-O 3.27Å; E204-P207 WeakPolarHBondContact OE2-CA 3.3Å; E204-G208 PolarHBondContact OE2-N 2.92Å; E204-G210 WeakPolarHBondContact OE1-CA 3.4Å; E204-G210 PolarHBondContact OE1-N 2.84Å; E204-C270 HydrophobicContact CB-CB 4.25Å; E204-M271 HydrophobicContact CG-CB 4.02Å; E204-M271 PolarHBondContact N-O 3.46Å; E204-M271 PolarHBondContact OE2-N 3.36Å
205	I	91	Very high	93.6	Very high	32 Å²	32	39.2 Å²	39.2	16%	0.164	23%	0.225	C	C	.	.	S	Bend	trans	-83	-52.7	168.8	-57.8	-161.9	0	0	0	109.6	L212 F213 C270 L325	I205-L212 HydrophobicContact CD1-CB 4.4Å; I205-L212 HydrophobicContact CD1-CD2 3.45Å; I205-L212 VanDerWaalsContact CD1-CD2 3.45Å; I205-L212 HydrophobicContact CD1-CG 4.17Å; I205-L212 HydrophobicContact CG1-CB 4.14Å; I205-L212 HydrophobicContact CG1-CD2 4.01Å; I205-L212 HydrophobicContact CG1-CG 4.46Å; I205-F213 HydrophobicContact CD1-CD2 3.97Å; I205-F213 HydrophobicContact CD1-CE2 3.34Å; I205-F213 HydrophobicContact CD1-CZ 3.99Å; I205-F213 HydrophobicContact CG1-CD2 3.63Å; I205-F213 HydrophobicContact CG1-CE2 3.43Å; I205-F213 VanDerWaalsContact CG1-CE2 3.43Å; I205-C270 PolarHBondContact O-SG 2.83Å; I205-L325 HydrophobicContact CG2-CB 4.04Å; I205-L325 HydrophobicContact CG2-CD1 4.12Å; I205-L325 HydrophobicContact CG2-CD2 3.94Å; I205-L325 HydrophobicContact CG2-CG 4.25Å
206	K	88.7	Confident	93.6	Very high	104 Å²	104	41.5 Å²	41.5	45%	0.452	24%	0.238	S	C	.	.	S	Bend	trans	-118.9	146.8	174.5	-65.4	-169.9	175.3	-167.7	0	109.1	E204 G208 Q209	E204-K206 WeakPolarHBondContact CB-O 3.27Å; K206-G208 PolarHBondContact O-N 3.29Å; K206-Q209 HydrophobicContact CB-CB 4.41Å; K206-Q209 WeakPolarHBondContact O-CB 3.01Å; K206-Q209 PolarHBondContact O-N 3.07Å; K206-Q209 VanDerWaalsContact O-N 3.11Å
207	P	88.9	Confident	93.6	Very high	64 Å²	64	38.3 Å²	38.3	42%	0.416	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	135.3	178.5	24.4	-34.4	0	0	0	110.9	E204 Q209 L267	E204-P207 WeakPolarHBondContact OE2-CA 3.3Å; P207-Q209 PolarHBondContact O-N 3.41Å; P207-L267 HydrophobicContact CG-CD1 4.23Å
208	G	85.4	Confident	93.5	Very high	35 Å²	35	36.9 Å²	36.9	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-1.7	178.6	0	0	0	0	0	114.7	N118 E204 K206 G210 K368	N118-G208 PolarHBondContact ND2-O 3.33Å; E204-G208 PolarHBondContact OE2-N 2.92Å; K206-G208 PolarHBondContact O-N 3.29Å; G208-G210 PolarHBondContact O-N 2.86Å; G208-K368 PolarHBondContact O-NZ 3.05Å
209	Q	85.9	Confident	93.4	Very high	78 Å²	78	37.3 Å²	37.3	36%	0.364	21%	0.209	S	C	.	.	S	Bend	trans	-67.9	-26.6	176.5	-168.2	171.6	8.2	0	0	112.1	K206 P207 K368	K206-Q209 HydrophobicContact CB-CB 4.41Å; K206-Q209 WeakPolarHBondContact O-CB 3.01Å; K206-Q209 PolarHBondContact O-N 3.07Å; K206-Q209 VanDerWaalsContact O-N 3.11Å; P207-Q209 PolarHBondContact O-N 3.41Å; Q209-K368 WeakPolarHBondContact O-CE 3.34Å; Q209-K368 PolarHBondContact O-NZ 3.29Å
210	G	90.1	Very high	93.4	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	19%	0.192	C	C	.	.			trans	85.8	152.8	-163.8	0	0	0	0	0	111.4	E204 G208 L212	E204-G210 WeakPolarHBondContact OE1-CA 3.4Å; E204-G210 PolarHBondContact OE1-N 2.84Å; G208-G210 PolarHBondContact O-N 2.86Å; G210-L212 PolarHBondContact O-N 2.92Å
211	A	93.9	Very high	93.4	Very high	6 Å²	6	33.8 Å²	33.8	5%	0.05	19%	0.192	C	C	.	.			trans	-57.5	129.6	-177.3	0	0	0	0	0	111.7	N117 Q202 R215	N117-A211 HydrophobicContact CB-CB 4.15Å; N117-A211 VanDerWaalsContact O-CB 3.27Å; N117-A211 WeakPolarHBondContact O-CB 3.39Å; N117-A211 PolarHBondContact O-N 3.38Å; Q202-A211 VanDerWaalsContact C-CB 3.43Å; Q202-A211 HydrophobicContact CB-CB 3.68Å; Q202-A211 WeakPolarHBondContact O-CB 3.45Å; A211-R215 WeakPolarHBondContact O-CD 3.37Å
212	L	92.5	Very high	93.4	Very high	72 Å²	72	34.6 Å²	34.6	38%	0.377	20%	0.197	S	C	.	.			trans	-124	-36.6	178.6	-175.6	54.2	0	0	0	112	F203 I205 G210	F203-L212 PolarHBondContact O-N 3.32Å; I205-L212 HydrophobicContact CD1-CB 4.4Å; I205-L212 HydrophobicContact CD1-CD2 3.45Å; I205-L212 VanDerWaalsContact CD1-CD2 3.45Å; I205-L212 HydrophobicContact CD1-CG 4.17Å; I205-L212 HydrophobicContact CG1-CB 4.14Å; I205-L212 HydrophobicContact CG1-CD2 4.01Å; I205-L212 HydrophobicContact CG1-CG 4.46Å; G210-L212 PolarHBondContact O-N 2.92Å
213	F	94.2	Very high	93.4	Very high	52 Å²	52	34.5 Å²	34.5	23%	0.228	20%	0.197	C	C	.	.	S	Bend	trans	-89	160.5	175.7	-76.1	-69.3	0	0	0	112.2	Q202 F203 I205 R215 Y264 L325	Q202-F213 WeakPolarHBondContact CA-O 3.27Å; F203-F213 HydrophobicContact CD1-CB 3.99Å; F203-F213 HydrophobicContact CD2-CB 3.91Å; F203-F213 HydrophobicContact CD2-CD2 4.18Å; F203-F213 HydrophobicContact CD2-CG 4.46Å; F203-F213 HydrophobicContact CE1-CB 3.55Å; F203-F213 HydrophobicContact CE1-CG 4.43Å; F203-F213 HydrophobicContact CE2-CB 3.45Å; F203-F213 VanDerWaalsContact CE2-CB 3.45Å; F203-F213 AromaticContact CE2-CD2 3.45Å; F203-F213 HydrophobicContact CE2-CD2 3.45Å; F203-F213 VanDerWaalsContact CE2-CD2 3.45Å; F203-F213 HydrophobicContact CE2-CE2 4.4Å; F203-F213 AromaticContact CE2-CG 3.69Å; F203-F213 HydrophobicContact CE2-CG 3.69Å; F203-F213 HydrophobicContact CG-CB 4.17Å; F203-F213 HydrophobicContact CZ-CB 3.25Å; F203-F213 HydrophobicContact CZ-CD1 4.47Å; F203-F213 AromaticContact CZ-CD2 3.92Å; F203-F213 HydrophobicContact CZ-CD2 3.92Å; F203-F213 AromaticContact CZ-CG 3.67Å; F203-F213 HydrophobicContact CZ-CG 3.67Å; F203-F213 PolarHBondContact O-N 2.97Å; I205-F213 HydrophobicContact CD1-CD2 3.97Å; I205-F213 HydrophobicContact CD1-CE2 3.34Å; I205-F213 HydrophobicContact CD1-CZ 3.99Å; I205-F213 HydrophobicContact CG1-CD2 3.63Å; I205-F213 HydrophobicContact CG1-CE2 3.43Å; I205-F213 VanDerWaalsContact CG1-CE2 3.43Å; F213-R215 PolarHBondContact O-N 2.77Å; F213-Y264 AromaticContact CE1-CE1 3.96Å; F213-Y264 HydrophobicContact CE1-CE1 3.96Å; F213-Y264 AromaticContact CE1-CZ 3.88Å; F213-Y264 HydrophobicContact CE2-CD1 4.41Å; F213-Y264 HydrophobicContact CE2-CE1 4.19Å; F213-Y264 HydrophobicContact CZ-CD1 4.31Å; F213-Y264 AromaticContact CZ-CE1 3.65Å; F213-Y264 HydrophobicContact CZ-CE1 3.65Å; F213-L325 HydrophobicContact CD2-CD1 4.49Å; F213-L325 HydrophobicContact CE2-CD1 3.79Å
214	C	95.4	Very high	93.3	Very high	16 Å²	16	39.6 Å²	39.6	11%	0.108	22%	0.219	C	C	.	.	S	Bend	trans	47.3	51.1	177.4	-66	0	0	0	0	114.3	Q202 F203 S219 V277	Q202-C214 PolarHBondContact N-O 3.43Å; F203-C214 HydrophobicContact CD1-CB 4.3Å; F203-C214 HydrophobicContact CE1-CB 4.24Å; C214-S219 VanDerWaalsContact CA-OG 3.25Å; C214-S219 WeakPolarHBondContact CA-OG 3.4Å; C214-S219 PolarHBondContact O-OG 3.23Å; C214-V277 WeakPolarHBondContact O-CG2 3.49Å
215	R	94.1	Very high	93.4	Very high	81 Å²	81	43.4 Å²	43.4	31%	0.306	23%	0.233	S	C	.	.			trans	-103	-11	175.5	-64	175.6	66.1	-175.5	-1.4	113.6	N117 P144 I159 A211 F213 S219	N117-R215 VanDerWaalsContact CG-CZ 3.47Å; N117-R215 PolarHBondContact ND2-NH2 3.07Å; N117-R215 PolarHBondContact OD1-NE 2.77Å; N117-R215 VanDerWaalsContact OD1-NE 3.17Å; N117-R215 PolarHBondContact OD1-NH2 2.98Å; P144-R215 WeakPolarHBondContact CG-O 3.5Å; I159-R215 HydrophobicContact CD1-CB 3.88Å; I159-R215 HydrophobicContact CD1-CG 4.08Å; A211-R215 WeakPolarHBondContact O-CD 3.37Å; F213-R215 PolarHBondContact O-N 2.77Å; R215-S219 PolarHBondContact N-OG 3.18Å
216	T	95.1	Very high	93.5	Very high	86 Å²	86	44 Å²	44	53%	0.528	23%	0.234	S	C	.	.	S	Bend	trans	-79.5	154.6	-177.2	47.4	0	0	0	0	110.2	G218 S219 V277	T216-G218 PolarHBondContact O-N 2.68Å; T216-S219 PolarHBondContact N-OG 3.49Å; T216-S219 VanDerWaalsContact N-OG 3.15Å; T216-S219 WeakPolarHBondContact O-CB 3.16Å; T216-S219 PolarHBondContact O-N 3.09Å; T216-S219 PolarHBondContact O-OG 3.38Å; T216-S219 VanDerWaalsContact OG1-CB 3.28Å; T216-S219 WeakPolarHBondContact OG1-CB 3.42Å; T216-S219 PolarHBondContact OG1-OG 3.34Å; T216-V277 VanDerWaalsContact O-CB 3.28Å; T216-V277 WeakPolarHBondContact O-CB 3.48Å; T216-V277 WeakPolarHBondContact O-CG1 3.23Å
217	A	96.5	Very high	93.6	Very high	17 Å²	17	39.2 Å²	39.2	14%	0.14	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134.2	177.5	0	0	0	0	0	111.4	H143 P144 S219 S278 N279 H282	H143-A217 HydrophobicContact CB-CB 3.62Å; P144-A217 HydrophobicContact CB-CB 4.49Å; A217-S219 PolarHBondContact O-N 2.95Å; A217-S278 WeakPolarHBondContact CA-O 3.12Å; A217-N279 HydrophobicContact CB-CB 4.02Å; A217-N279 WeakPolarHBondContact CB-O 3.36Å; A217-H282 HydrophobicContact CB-CB 3.67Å
218	G	95.5	Very high	93.7	Very high	19 Å²	19	43.7 Å²	43.7	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	5.2	-179.1	0	0	0	0	0	115.7	T216 Q276 V277 S278	T216-G218 PolarHBondContact O-N 2.68Å; G218-Q276 PolarHBondContact O-NE2 3.37Å; G218-V277 WeakPolarHBondContact CA-O 3.21Å; G218-V277 PolarHBondContact N-O 3.1Å; G218-V277 VanDerWaalsContact N-O 3.13Å; G218-S278 PolarHBondContact N-O 2.78Å
219	S	95.8	Very high	93.8	Very high	21 Å²	21	45 Å²	45	15%	0.147	22%	0.221	C	C	.	.			trans	-79.1	139.9	177.4	63.7	0	0	0	0	111.8	C214 R215 T216 A217 V277	C214-S219 VanDerWaalsContact CA-OG 3.25Å; C214-S219 WeakPolarHBondContact CA-OG 3.4Å; C214-S219 PolarHBondContact O-OG 3.23Å; R215-S219 PolarHBondContact N-OG 3.18Å; T216-S219 PolarHBondContact N-OG 3.49Å; T216-S219 VanDerWaalsContact N-OG 3.15Å; T216-S219 WeakPolarHBondContact O-CB 3.16Å; T216-S219 PolarHBondContact O-N 3.09Å; T216-S219 PolarHBondContact O-OG 3.38Å; T216-S219 VanDerWaalsContact OG1-CB 3.28Å; T216-S219 WeakPolarHBondContact OG1-CB 3.42Å; T216-S219 PolarHBondContact OG1-OG 3.34Å; A217-S219 PolarHBondContact O-N 2.95Å; S219-V277 WeakPolarHBondContact O-CG2 3.25Å; S219-V277 PolarHBondContact O-N 3.06Å; S219-V277 VanDerWaalsContact O-N 3.17Å
220	S	96.8	Very high	93.9	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	21%	0.205	C	C	.	.			trans	-150.1	162.7	173.4	54	0	0	0	0	110.1	I200 N258	I200-S220 CarbonylContact O-C 3.54Å; I200-S220 WeakPolarHBondContact O-CA 3.22Å; S220-N258 PolarHBondContact O-N 2.79Å; S220-N258 VanDerWaalsContact O-N 3.1Å; S220-N258 PolarHBondContact OG-ND2 2.87Å
221	A	97.6	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.7	171.2	0	0	0	0	0	109	I199 I200 F203 V255 R256 T257	I199-A221 CarbonylContact C-O 3.59Å; I199-A221 WeakPolarHBondContact CA-O 3.28Å; I200-A221 HydrophobicContact CG1-CB 4.21Å; I200-A221 PolarHBondContact N-O 3.4Å; I200-A221 PolarHBondContact O-N 3.04Å; F203-A221 HydrophobicContact CD1-CB 4.36Å; F203-A221 HydrophobicContact CE1-CB 3.83Å; A221-V255 HydrophobicContact CB-CG1 3.44Å; A221-V255 VanDerWaalsContact CB-CG1 3.44Å; A221-R256 CarbonylContact C-O 3.57Å; A221-R256 WeakPolarHBondContact CA-O 3.23Å; A221-R256 WeakPolarHBondContact CB-O 3.47Å; A221-T257 HydrophobicContact CB-CG2 4.2Å
222	T	97.5	Very high	93.2	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.104	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.8	177.4	40.5	0	0	0	0	109.2	T198 I199 F224 R256 N258	T198-T222 WeakPolarHBondContact O-CA 3.39Å; I199-T222 HydrophobicContact CG1-CG2 4.04Å; T222-F224 PolarHBondContact O-N 3.06Å; T222-R256 PolarHBondContact N-O 2.82Å; T222-R256 PolarHBondContact O-N 2.92Å; T222-R256 PolarHBondContact OG1-NE 2.82Å; T222-R256 PolarHBondContact OG1-O 2.76Å; T222-N258 WeakPolarHBondContact CG2-OD1 3.33Å; T222-N258 PolarHBondContact OG1-OD1 3.39Å; T222-N258 VanDerWaalsContact OG1-OD1 3.09Å
223	I	97.4	Very high	92.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	113.6	168.1	-59.4	-169.8	0	0	0	107	V191 L194 G197 T198 I200 V253 V255	V191-I223 HydrophobicContact CG1-CD1 3.99Å; V191-I223 HydrophobicContact CG1-CG1 4.47Å; V191-I223 WeakPolarHBondContact O-CD1 3.38Å; L194-I223 HydrophobicContact CB-CD1 3.56Å; L194-I223 HydrophobicContact CD1-CD1 4.04Å; L194-I223 HydrophobicContact CG-CD1 4.44Å; G197-I223 WeakPolarHBondContact CA-O 3.35Å; G197-I223 PolarHBondContact N-O 2.72Å; T198-I223 PolarHBondContact O-N 3.23Å; T198-I223 WeakPolarHBondContact OG1-CD1 3.47Å; T198-I223 WeakPolarHBondContact OG1-CG1 3.45Å; I200-I223 HydrophobicContact CD1-CD1 4.44Å; I200-I223 HydrophobicContact CD1-CG1 3.97Å; I200-I223 HydrophobicContact CG1-CG1 4.41Å; I200-I223 HydrophobicContact CG2-CD1 4.28Å; I200-I223 HydrophobicContact CG2-CG1 4.27Å; I223-V253 HydrophobicContact CG2-CG1 3.71Å; I223-V255 HydrophobicContact CG1-CG2 4.36Å
224	F	93	Very high	90.5	Very high	107 Å²	107	50.3 Å²	50.3	47%	0.469	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-39.8	-172.8	176.6	-101.9	0	0	0	112.3	V196 T222 F254 R256	V196-F224 WeakPolarHBondContact CG1-O 3.49Å; T222-F224 PolarHBondContact O-N 3.06Å; F224-F254 PolarHBondContact N-O 3.43Å; F224-R256 HydrophobicContact CB-CB 4.17Å
225	R	95.5	Very high	88.9	Confident	82 Å²	82	50.3 Å²	50.3	31%	0.309	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.9	-179.8	-173.4	178.2	80.5	75.5	-17.4	109.5	D249 V253 F254	R225-D249 PolarHBondContact NH1-O 2.96Å; R225-D249 VanDerWaalsContact NH2-CB 3.25Å; R225-D249 VanDerWaalsContact NH2-CG 3.35Å; R225-D249 PolarHBondContact NH2-O 3.42Å; R225-D249 IonicContact NH2-OD2 2.76Å; R225-D249 PolarHBondContact NH2-OD2 3.21Å; R225-V253 WeakPolarHBondContact O-CG1 3.43Å; R225-F254 HydrophobicContact CB-CB 4.04Å; R225-F254 HydrophobicContact CB-CD2 4.23Å; R225-F254 HydrophobicContact CB-CG 4.4Å; R225-F254 PolarHBondContact N-O 3.35Å; R225-F254 PolarHBondContact O-N 3.14Å
226	R	93.5	Very high	87.5	Confident	46 Å²	46	52 Å²	52	17%	0.174	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136	169.9	178	174.7	167.3	169.2	-5.6	108.6	G192 V196 V230	G192-R226 PolarHBondContact O-NE 2.99Å; G192-R226 PolarHBondContact O-NH1 3.29Å; V196-R226 HydrophobicContact CG2-CB 3.59Å; R226-V230 HydrophobicContact CG-CB 3.9Å; R226-V230 HydrophobicContact CG-CG1 4.15Å; R226-V230 HydrophobicContact CG-CG2 4.25Å; R226-V230 PolarHBondContact NE-O 2.89Å; R226-V230 PolarHBondContact NH2-O 2.95Å
227	G	92.1	Very high	85.8	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.031	26%	0.263	C	S	.	.			trans	-64.1	148	173.4	0	0	0	0	0	111.9	Y229 V230 E250 V252	G227-Y229 VanDerWaalsContact C-N 3.29Å; G227-Y229 PolarHBondContact O-N 3.15Å; G227-V230 PolarHBondContact O-N 2.96Å; G227-E250 CarbonylContact C-O 3.04Å; G227-E250 WeakPolarHBondContact CA-O 3.47Å; G227-V252 WeakPolarHBondContact CA-O 3.41Å; G227-V252 PolarHBondContact N-O 3.25Å
228	K	89.2	Confident	83.8	Confident	158 Å²	158	54.7 Å²	54.7	69%	0.687	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.8	-175.7	-175.5	-178.6	178.1	-174.2	0	113	E250	K228-E250 PolarHBondContact N-O 2.98Å
229	Y	88.2	Confident	81.8	Confident	61 Å²	61	59.4 Å²	59.4	24%	0.239	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-10.2	-174.7	-66.3	-66.3	0	0	0	113.4	G227 G231 T232 L234 N235 E250 Y251	G227-Y229 VanDerWaalsContact C-N 3.29Å; G227-Y229 PolarHBondContact O-N 3.15Å; Y229-G231 PolarHBondContact O-N 2.95Å; Y229-T232 WeakPolarHBondContact O-CB 3.27Å; Y229-T232 PolarHBondContact O-N 3.06Å; Y229-T232 PolarHBondContact O-OG1 2.84Å; Y229-L234 HydrophobicContact CD1-CD1 3.97Å; Y229-L234 HydrophobicContact CE1-CD1 3.97Å; Y229-N235 VanDerWaalsContact O-CG 3.31Å; Y229-N235 PolarHBondContact O-ND2 3.04Å; Y229-N235 PolarHBondContact O-OD1 3.14Å; Y229-E250 HydrophobicContact CD2-CB 3.77Å; Y229-E250 HydrophobicContact CE2-CB 4.18Å; Y229-E250 WeakPolarHBondContact CE2-OE2 3.34Å; Y229-E250 PolarHBondContact N-O 2.84Å; Y229-Y251 AromaticContact CD2-CE1 3.85Å; Y229-Y251 HydrophobicContact CD2-CE1 3.85Å; Y229-Y251 HydrophobicContact CD2-CE2 4.16Å; Y229-Y251 AromaticContact CD2-CZ 3.63Å; Y229-Y251 AromaticContact CG-CE1 3.89Å; Y229-Y251 HydrophobicContact CG-CE1 3.89Å
230	V	89.3	Confident	79.6	Confident	5 Å²	5	66 Å²	66	3%	0.03	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	123.6	-178.1	177.4	0	0	0	0	111.2	I176 R226 G227 N235 V253 P268	I176-V230 HydrophobicContact CG2-CG1 4.47Å; R226-V230 HydrophobicContact CG-CB 3.9Å; R226-V230 HydrophobicContact CG-CG1 4.15Å; R226-V230 HydrophobicContact CG-CG2 4.25Å; R226-V230 PolarHBondContact NE-O 2.89Å; R226-V230 PolarHBondContact NH2-O 2.95Å; G227-V230 PolarHBondContact O-N 2.96Å; V230-N235 WeakPolarHBondContact CA-ND2 3.26Å; V230-V253 HydrophobicContact CG1-CG2 4.36Å; V230-V253 HydrophobicContact CG2-CG2 4.24Å; V230-P268 HydrophobicContact CG1-CB 3.68Å; V230-P268 HydrophobicContact CG2-CB 4.23Å
231	G	83.3	Confident	77.3	Confident	10 Å²	10	69.8 Å²	69.8	10%	0.103	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-4.1	-177.1	0	0	0	0	0	115.5	T178 Y229 N235	T178-G231 WeakPolarHBondContact CA-O 3.44Å; Y229-G231 PolarHBondContact O-N 2.95Å; G231-N235 PolarHBondContact N-ND2 3.46Å
232	T	84.2	Confident	75	Confident	45 Å²	45	72 Å²	72	28%	0.276	36%	0.362	S	S	.	.	S	Bend	trans	-81.5	152.5	169.7	68.1	0	0	0	0	110.8	Y229 L234 N235	Y229-T232 WeakPolarHBondContact O-CB 3.27Å; Y229-T232 PolarHBondContact O-N 3.06Å; Y229-T232 PolarHBondContact O-OG1 2.84Å; T232-L234 PolarHBondContact O-N 2.74Å; T232-L234 VanDerWaalsContact O-N 3.14Å; T232-N235 PolarHBondContact N-ND2 3.26Å; T232-N235 PolarHBondContact O-N 2.91Å; T232-N235 VanDerWaalsContact O-N 3.1Å; T232-N235 PolarHBondContact O-ND2 2.87Å; T232-N235 VanDerWaalsContact O-ND2 3.14Å
233	K	71.3	Confident	72.9	Confident	177 Å²	177	76.9 Å²	76.9	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.9	177.5	-64.7	-177	179.7	179.1	0	112.7	N235 D236	K233-N235 PolarHBondContact O-N 3.17Å; K233-N235 VanDerWaalsContact O-N 3.14Å; K233-D236 PolarHBondContact O-N 2.96Å
234	L	59.5	Low	70.8	Confident	92 Å²	92	82.2 Å²	82.2	48%	0.482	43%	0.429	S	S	.	.	H	α-helix	trans	-58.8	-24.7	177.2	-64.3	177.8	0	0	0	113.9	Y229 T232 D236 L238	Y229-L234 HydrophobicContact CD1-CD1 3.97Å; Y229-L234 HydrophobicContact CE1-CD1 3.97Å; T232-L234 PolarHBondContact O-N 2.74Å; T232-L234 VanDerWaalsContact O-N 3.14Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-L238 PolarHBondContact O-N 2.76Å
235	N	62.2	Low	69.2	Low	15 Å²	15	82.9 Å²	82.9	8%	0.08	44%	0.438	C	S	.	.	H	α-helix	trans	-68.4	-35.4	176.4	-63.4	-48.2	0	0	0	112.5	Y229 V230 G231 T232 K233 D237 L238 N239 Y251	Y229-N235 VanDerWaalsContact O-CG 3.31Å; Y229-N235 PolarHBondContact O-ND2 3.04Å; Y229-N235 PolarHBondContact O-OD1 3.14Å; V230-N235 WeakPolarHBondContact CA-ND2 3.26Å; G231-N235 PolarHBondContact N-ND2 3.46Å; T232-N235 PolarHBondContact N-ND2 3.26Å; T232-N235 PolarHBondContact O-N 2.91Å; T232-N235 VanDerWaalsContact O-N 3.1Å; T232-N235 PolarHBondContact O-ND2 2.87Å; T232-N235 VanDerWaalsContact O-ND2 3.14Å; K233-N235 PolarHBondContact O-N 3.17Å; K233-N235 VanDerWaalsContact O-N 3.14Å; N235-D237 VanDerWaalsContact C-N 3.29Å; N235-D237 PolarHBondContact O-N 3.17Å; N235-L238 PolarHBondContact O-N 2.78Å; N235-N239 VanDerWaalsContact O-CG 3.24Å; N235-N239 PolarHBondContact O-N 2.99Å; N235-N239 VanDerWaalsContact O-N 3.13Å; N235-N239 PolarHBondContact O-ND2 3.37Å; N235-N239 VanDerWaalsContact O-ND2 3.14Å; N235-Y251 VanDerWaalsContact OD1-CD1 3.29Å; N235-Y251 WeakPolarHBondContact OD1-CD1 3.44Å
236	D	64.3	Low	67.9	Low	116 Å²	116	85.9 Å²	85.9	62%	0.62	46%	0.455	S	S	*	.	H	α-helix	trans	-66.9	-38.7	-176.4	-66	-23.4	0	0	0	109.7	K233 L234	K233-D236 PolarHBondContact O-N 2.96Å; L234-D236 VanDerWaalsContact C-N 3.34Å
237	D	59.3	Low	67.2	Low	106 Å²	106	85.5 Å²	85.5	57%	0.567	46%	0.456	S	S	*	.	H	α-helix	trans	-66.3	-38.6	177.2	-57.8	-30.8	0	0	0	112.6	N235 L240	N235-D237 VanDerWaalsContact C-N 3.29Å; N235-D237 PolarHBondContact O-N 3.17Å; D237-L240 PolarHBondContact O-N 3.15Å
238	L	53.6	Low	66.8	Low	54 Å²	54	87 Å²	87	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-79	-25.5	-178.4	-84.3	164.9	0	0	0	114.6	L234 N235 L240 T241 S242 Y251	L234-L238 PolarHBondContact O-N 2.76Å; N235-L238 PolarHBondContact O-N 2.78Å; L238-L240 PolarHBondContact O-N 3.49Å; L238-T241 PolarHBondContact O-N 2.68Å; L238-T241 PolarHBondContact O-OG1 3.14Å; L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 3.03Å; L238-S242 PolarHBondContact O-OG 3.07Å; L238-Y251 HydrophobicContact CD1-CD1 4.15Å; L238-Y251 HydrophobicContact CD1-CE1 3.26Å; L238-Y251 HydrophobicContact CD1-CE2 4.31Å; L238-Y251 VanDerWaalsContact CD1-OH 3.27Å; L238-Y251 WeakPolarHBondContact CD1-OH 3.46Å
239	N	55.1	Low	66.8	Low	119 Å²	119	83.1 Å²	83.1	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-60.6	-23.2	173.1	-74	-33.2	0	0	0	111.7	N235	N235-N239 VanDerWaalsContact O-CG 3.24Å; N235-N239 PolarHBondContact O-N 2.99Å; N235-N239 VanDerWaalsContact O-N 3.13Å; N235-N239 PolarHBondContact O-ND2 3.37Å; N235-N239 VanDerWaalsContact O-ND2 3.14Å
240	L	48.2	Very low	66.8	Low	159 Å²	159	84.6 Å²	84.6	83%	0.832	47%	0.468	S	S	*	.	H	α-helix	trans	-81	-30.8	177.6	-166.5	65.8	0	0	0	113.1	D237 L238	D237-L240 PolarHBondContact O-N 3.15Å; L238-L240 PolarHBondContact O-N 3.49Å
241	T	48.9	Very low	66.7	Low	91 Å²	91	86.6 Å²	86.6	56%	0.558	48%	0.475	S	S	*	.	H	α-helix	trans	-99	-20.8	-170.8	60.4	0	0	0	0	114.3	L238 S243	L238-T241 PolarHBondContact O-N 2.68Å; L238-T241 PolarHBondContact O-OG1 3.14Å; T241-S243 PolarHBondContact O-N 3.17Å
242	S	50.3	Low	67.2	Low	48 Å²	48	86.1 Å²	86.1	34%	0.336	47%	0.47	S	S	.	.			trans	-96.2	58.9	-165.3	-53.8	0	0	0	0	113.7	L238	L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 3.03Å; L238-S242 PolarHBondContact O-OG 3.07Å
243	S	52.3	Low	67.7	Low	118 Å²	118	84 Å²	84	83%	0.825	46%	0.457	S	S	*	.	S	Bend	trans	-81.7	-18.3	169.2	61.2	0	0	0	0	113	T241	T241-S243 PolarHBondContact O-N 3.17Å
244	T	52.5	Low	68.9	Low	115 Å²	115	76.1 Å²	76.1	71%	0.706	42%	0.423	S	S	*	.	S	Bend	trans	-116.2	-23.1	-170.6	57.4	0	0	0	0	115.9
245	N	59.6	Low	70.6	Confident	121 Å²	121	71.7 Å²	71.7	65%	0.647	40%	0.4	S	S	*	.	S	Bend	trans	-101.3	141.4	-169.6	-65.3	-12.1	0	0	0	112.5	L247	N245-L247 PolarHBondContact O-N 2.79Å; N245-L247 VanDerWaalsContact O-N 3.08Å
246	E	70	Confident	72.2	Confident	144 Å²	144	75.8 Å²	75.8	67%	0.673	41%	0.414	S	S	*	.			trans	-60.6	112.9	171.9	-64.2	-167.6	151.3	0	0	109.2	G248 K329	E246-G248 PolarHBondContact O-N 2.77Å; E246-K329 IonicContact OE1-NZ 2.66Å
247	L	77	Confident	73.7	Confident	39 Å²	39	70.9 Å²	70.9	20%	0.204	39%	0.388	C	S	.	.			trans	-56	123.6	179.7	-173	65.2	0	0	0	110	N245 Y251 V252 L267 V326	N245-L247 PolarHBondContact O-N 2.79Å; N245-L247 VanDerWaalsContact O-N 3.08Å; L247-Y251 HydrophobicContact CD1-CD2 4.05Å; L247-Y251 HydrophobicContact CD1-CG 3.88Å; L247-V252 HydrophobicContact CB-CG2 4.49Å; L247-V252 HydrophobicContact CD2-CG2 3.48Å; L247-V252 VanDerWaalsContact CD2-CG2 3.48Å; L247-V252 HydrophobicContact CG-CG2 3.8Å; L247-L267 HydrophobicContact CD2-CD2 3.74Å; L247-V326 HydrophobicContact CB-CG1 4.04Å; L247-V326 HydrophobicContact CD2-CG1 4.01Å
248	G	85.2	Confident	75.2	Confident	34 Å²	34	69 Å²	69	35%	0.351	38%	0.378	S	S	.	.			trans	-64.5	159.2	-179	0	0	0	0	0	113	E246 E250 Y251 V252	E246-G248 PolarHBondContact O-N 2.77Å; G248-E250 PolarHBondContact O-N 2.86Å; G248-Y251 PolarHBondContact O-N 2.97Å; G248-V252 WeakPolarHBondContact O-CG2 3.41Å
249	D	88	Confident	76.8	Confident	76 Å²	76	70 Å²	70	41%	0.406	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.3	-178.2	-102.8	32.9	0	0	0	114.2	R225 F254 R265	R225-D249 PolarHBondContact NH1-O 2.96Å; R225-D249 VanDerWaalsContact NH2-CB 3.25Å; R225-D249 VanDerWaalsContact NH2-CG 3.35Å; R225-D249 PolarHBondContact NH2-O 3.42Å; R225-D249 IonicContact NH2-OD2 2.76Å; R225-D249 PolarHBondContact NH2-OD2 3.21Å; D249-F254 WeakPolarHBondContact OD2-CZ 3.44Å; D249-R265 IonicContact OD1-NH1 3.14Å; D249-R265 PolarHBondContact OD1-NH1 3.46Å
250	E	88.4	Confident	78.1	Confident	93 Å²	93	72.2 Å²	72.2	44%	0.435	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.7	-179.7	-56.2	-177.6	140.7	0	0	113.7	G227 K228 Y229 G248	G227-E250 CarbonylContact C-O 3.04Å; G227-E250 WeakPolarHBondContact CA-O 3.47Å; K228-E250 PolarHBondContact N-O 2.98Å; Y229-E250 HydrophobicContact CD2-CB 3.77Å; Y229-E250 HydrophobicContact CE2-CB 4.18Å; Y229-E250 WeakPolarHBondContact CE2-OE2 3.34Å; Y229-E250 PolarHBondContact N-O 2.84Å; G248-E250 PolarHBondContact O-N 2.86Å
251	Y	88.3	Confident	79.9	Confident	47 Å²	47	72.9 Å²	72.9	18%	0.184	40%	0.397	C	S	.	.	S	Bend	trans	-106.4	2.2	-177.1	-62.2	-83.6	0	0	0	113.1	Y229 N235 L238 L247 G248 P268	Y229-Y251 AromaticContact CD2-CE1 3.85Å; Y229-Y251 HydrophobicContact CD2-CE1 3.85Å; Y229-Y251 HydrophobicContact CD2-CE2 4.16Å; Y229-Y251 AromaticContact CD2-CZ 3.63Å; Y229-Y251 AromaticContact CG-CE1 3.89Å; Y229-Y251 HydrophobicContact CG-CE1 3.89Å; N235-Y251 VanDerWaalsContact OD1-CD1 3.29Å; N235-Y251 WeakPolarHBondContact OD1-CD1 3.44Å; L238-Y251 HydrophobicContact CD1-CD1 4.15Å; L238-Y251 HydrophobicContact CD1-CE1 3.26Å; L238-Y251 HydrophobicContact CD1-CE2 4.31Å; L238-Y251 VanDerWaalsContact CD1-OH 3.27Å; L238-Y251 WeakPolarHBondContact CD1-OH 3.46Å; L247-Y251 HydrophobicContact CD1-CD2 4.05Å; L247-Y251 HydrophobicContact CD1-CG 3.88Å; G248-Y251 PolarHBondContact O-N 2.97Å; Y251-P268 WeakPolarHBondContact O-CD 3.43Å; Y251-P268 WeakPolarHBondContact O-CG 3.29Å
252	V	92.2	Very high	82	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.392	C	S	.	.			trans	-125.2	154.5	-161.6	175.6	0	0	0	0	110.3	G227 L247 G248 F254 R265 L266 V326	G227-V252 WeakPolarHBondContact CA-O 3.41Å; G227-V252 PolarHBondContact N-O 3.25Å; L247-V252 HydrophobicContact CB-CG2 4.49Å; L247-V252 HydrophobicContact CD2-CG2 3.48Å; L247-V252 VanDerWaalsContact CD2-CG2 3.48Å; L247-V252 HydrophobicContact CG-CG2 3.8Å; G248-V252 WeakPolarHBondContact O-CG2 3.41Å; V252-F254 HydrophobicContact CG1-CE2 4.27Å; V252-R265 HydrophobicContact CB-CG 4.47Å; V252-R265 HydrophobicContact CG1-CB 4.4Å; V252-R265 HydrophobicContact CG1-CG 3.23Å; V252-L266 WeakPolarHBondContact CG1-O 3.5Å; V252-V326 HydrophobicContact CG1-CG2 3.99Å; V252-V326 HydrophobicContact CG2-CG2 4.28Å
253	V	95.1	Very high	84.1	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	178.5	-169.9	0	0	0	0	110.7	V191 I223 R225 V230 L266 P268	V191-V253 HydrophobicContact CG1-CB 3.69Å; V191-V253 HydrophobicContact CG1-CG1 3.42Å; V191-V253 VanDerWaalsContact CG1-CG1 3.42Å; V191-V253 HydrophobicContact CG1-CG2 4.21Å; I223-V253 HydrophobicContact CG2-CG1 3.71Å; R225-V253 WeakPolarHBondContact O-CG1 3.43Å; V230-V253 HydrophobicContact CG1-CG2 4.36Å; V230-V253 HydrophobicContact CG2-CG2 4.24Å; V253-L266 PolarHBondContact N-O 3.22Å; V253-L266 PolarHBondContact O-N 3.07Å; V253-P268 HydrophobicContact CG2-CB 4.13Å
254	F	96.1	Very high	86.1	Confident	11 Å²	11	68.3 Å²	68.3	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.5	178	-68.4	-101.7	0	0	0	109.9	F224 R225 D249 V252 I263 Y264 R265 P322	F224-F254 PolarHBondContact N-O 3.43Å; R225-F254 HydrophobicContact CB-CB 4.04Å; R225-F254 HydrophobicContact CB-CD2 4.23Å; R225-F254 HydrophobicContact CB-CG 4.4Å; R225-F254 PolarHBondContact N-O 3.35Å; R225-F254 PolarHBondContact O-N 3.14Å; D249-F254 WeakPolarHBondContact OD2-CZ 3.44Å; V252-F254 HydrophobicContact CG1-CE2 4.27Å; F254-I263 HydrophobicContact CB-CG2 4.17Å; F254-I263 HydrophobicContact CD1-CG2 3.8Å; F254-I263 HydrophobicContact CG-CG2 4.49Å; F254-Y264 WeakPolarHBondContact CA-O 3.34Å; F254-R265 HydrophobicContact CD1-CB 4.47Å; F254-R265 HydrophobicContact CE1-CB 4.05Å; F254-R265 HydrophobicContact CE1-CG 4.01Å; F254-R265 HydrophobicContact CE2-CG 4.42Å; F254-R265 HydrophobicContact CZ-CB 4.4Å; F254-R265 HydrophobicContact CZ-CG 3.86Å; F254-P322 HydrophobicContact CD1-CB 4.03Å; F254-P322 HydrophobicContact CD1-CG 4.06Å; F254-P322 HydrophobicContact CE1-CB 3.78Å; F254-P322 HydrophobicContact CE1-CG 3.78Å
255	V	96.8	Very high	88.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.2	-179.9	172.3	0	0	0	0	109.5	V191 I200 F203 A221 I223 I263 Y264 L266	V191-V255 HydrophobicContact CG1-CG2 3.83Å; I200-V255 HydrophobicContact CD1-CG1 3.93Å; I200-V255 HydrophobicContact CD1-CG2 3.92Å; I200-V255 HydrophobicContact CG1-CG1 4.44Å; F203-V255 HydrophobicContact CD1-CG1 4.37Å; F203-V255 HydrophobicContact CE1-CG1 4.01Å; F203-V255 HydrophobicContact CZ-CG1 4.17Å; A221-V255 HydrophobicContact CB-CG1 3.44Å; A221-V255 VanDerWaalsContact CB-CG1 3.44Å; I223-V255 HydrophobicContact CG1-CG2 4.36Å; V255-I263 CarbonylContact O-C 3.59Å; V255-I263 WeakPolarHBondContact O-CA 3.28Å; V255-Y264 PolarHBondContact N-O 2.96Å; V255-Y264 PolarHBondContact O-N 3.44Å; V255-L266 HydrophobicContact CB-CD1 3.89Å; V255-L266 HydrophobicContact CG2-CD1 3.62Å
256	R	95.7	Very high	89.7	Confident	101 Å²	101	58.7 Å²	58.7	38%	0.381	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	178.8	178.7	-179.4	57.9	179.7	-4.8	110.1	A221 T222 F224 K262 I263	A221-R256 CarbonylContact C-O 3.57Å; A221-R256 WeakPolarHBondContact CA-O 3.23Å; A221-R256 WeakPolarHBondContact CB-O 3.47Å; T222-R256 PolarHBondContact N-O 2.82Å; T222-R256 PolarHBondContact O-N 2.92Å; T222-R256 PolarHBondContact OG1-NE 2.82Å; T222-R256 PolarHBondContact OG1-O 2.76Å; F224-R256 HydrophobicContact CB-CB 4.17Å; R256-K262 WeakPolarHBondContact CA-O 3.33Å; R256-I263 HydrophobicContact CB-CG1 4.49Å; R256-I263 HydrophobicContact CG-CG1 4.45Å
257	T	95.3	Very high	90.8	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.1	173.5	46.7	0	0	0	0	111.8	F203 A221 G259 R261 K262 Y264	F203-T257 HydrophobicContact CZ-CG2 4.48Å; A221-T257 HydrophobicContact CB-CG2 4.2Å; T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 3.05Å; T257-R261 VanDerWaalsContact O-CA 3.24Å; T257-R261 WeakPolarHBondContact O-CA 3.4Å; T257-R261 PolarHBondContact O-N 2.86Å; T257-K262 PolarHBondContact N-O 3.49Å; T257-K262 PolarHBondContact OG1-N 2.85Å; T257-K262 PolarHBondContact OG1-O 2.8Å; T257-Y264 HydrophobicContact CG2-CD2 4.06Å; T257-Y264 HydrophobicContact CG2-CE2 3.5Å; T257-Y264 VanDerWaalsContact CG2-CE2 3.5Å
258	N	91.2	Very high	91.6	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.5	-173.6	-67	-13.9	0	0	0	112.4	S220 T222	S220-N258 PolarHBondContact O-N 2.79Å; S220-N258 VanDerWaalsContact O-N 3.1Å; S220-N258 PolarHBondContact OG-ND2 2.87Å; T222-N258 WeakPolarHBondContact CG2-OD1 3.33Å; T222-N258 PolarHBondContact OG1-OD1 3.39Å; T222-N258 VanDerWaalsContact OG1-OD1 3.09Å
259	G	86.3	Confident	91.8	Very high	75 Å²	75	53.7 Å²	53.7	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-48	-179.5	0	0	0	0	0	115	T257	T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 3.05Å
260	K	83.7	Confident	92.1	Very high	165 Å²	165	50 Å²	50	72%	0.717	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.1	-175.1	-69.6	-178	-178.7	172.7	0	113.7	K262	K260-K262 HydrophobicContact CB-CG 4.14Å; K260-K262 PolarHBondContact O-N 3.01Å
261	R	84.9	Confident	92.4	Very high	174 Å²	174	45.9 Å²	45.9	66%	0.657	23%	0.225	S	C	*	.			trans	53	21.5	-173.3	-55	-179.3	-177.9	166.5	-1.7	113.7	T257 I319	T257-R261 VanDerWaalsContact O-CA 3.24Å; T257-R261 WeakPolarHBondContact O-CA 3.4Å; T257-R261 PolarHBondContact O-N 2.86Å; R261-I319 HydrophobicContact CB-CD1 4.21Å; R261-I319 WeakPolarHBondContact O-CG2 3.31Å
262	K	92.2	Very high	92.8	Very high	105 Å²	105	43.7 Å²	43.7	46%	0.457	22%	0.216	S	C	.	.			trans	-80.9	134.6	175.4	-72	-168.8	175	-161.7	0	109.3	R256 T257 K260 Y264	R256-K262 WeakPolarHBondContact CA-O 3.33Å; T257-K262 PolarHBondContact N-O 3.49Å; T257-K262 PolarHBondContact OG1-N 2.85Å; T257-K262 PolarHBondContact OG1-O 2.8Å; K260-K262 HydrophobicContact CB-CG 4.14Å; K260-K262 PolarHBondContact O-N 3.01Å; K262-Y264 HydrophobicContact CB-CE2 3.91Å
263	I	95	Very high	93.1	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.185	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.6	175.7	-54.2	172	0	0	0	107.7	F254 V255 R256 P322 V323	F254-I263 HydrophobicContact CB-CG2 4.17Å; F254-I263 HydrophobicContact CD1-CG2 3.8Å; F254-I263 HydrophobicContact CG-CG2 4.49Å; V255-I263 CarbonylContact O-C 3.59Å; V255-I263 WeakPolarHBondContact O-CA 3.28Å; R256-I263 HydrophobicContact CB-CG1 4.49Å; R256-I263 HydrophobicContact CG-CG1 4.45Å; I263-P322 HydrophobicContact CB-CB 4.27Å; I263-P322 HydrophobicContact CB-CG 4.36Å; I263-P322 HydrophobicContact CG2-CB 3.96Å; I263-P322 HydrophobicContact CG2-CG 4.03Å; I263-P322 WeakPolarHBondContact O-CA 3.11Å; I263-V323 PolarHBondContact O-N 3.26Å
264	Y	95.2	Very high	93.2	Very high	19 Å²	19	44 Å²	44	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.3	176.8	-64.1	-83.1	0	0	0	109	F203 F213 F254 V255 T257 K262 V323 L325	F203-Y264 HydrophobicContact CZ-CD2 4.14Å; F213-Y264 AromaticContact CE1-CE1 3.96Å; F213-Y264 HydrophobicContact CE1-CE1 3.96Å; F213-Y264 AromaticContact CE1-CZ 3.88Å; F213-Y264 HydrophobicContact CE2-CD1 4.41Å; F213-Y264 HydrophobicContact CE2-CE1 4.19Å; F213-Y264 HydrophobicContact CZ-CD1 4.31Å; F213-Y264 AromaticContact CZ-CE1 3.65Å; F213-Y264 HydrophobicContact CZ-CE1 3.65Å; F254-Y264 WeakPolarHBondContact CA-O 3.34Å; V255-Y264 PolarHBondContact N-O 2.96Å; V255-Y264 PolarHBondContact O-N 3.44Å; T257-Y264 HydrophobicContact CG2-CD2 4.06Å; T257-Y264 HydrophobicContact CG2-CE2 3.5Å; T257-Y264 VanDerWaalsContact CG2-CE2 3.5Å; K262-Y264 HydrophobicContact CB-CE2 3.91Å; Y264-V323 HydrophobicContact CD1-CB 3.76Å; Y264-V323 HydrophobicContact CD1-CG1 4.09Å; Y264-V323 HydrophobicContact CD1-CG2 4.39Å; Y264-V323 HydrophobicContact CE1-CB 4.03Å; Y264-V323 HydrophobicContact CE1-CG1 4.21Å; Y264-V323 HydrophobicContact CE1-CG2 4.24Å; Y264-L325 HydrophobicContact CD1-CD1 3.64Å; Y264-L325 HydrophobicContact CD1-CG 4.26Å; Y264-L325 HydrophobicContact CG-CD1 4.2Å
265	R	94.2	Very high	93.3	Very high	34 Å²	34	43.6 Å²	43.6	13%	0.128	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.9	174.3	-174.3	174.3	90.6	153.9	0.9	107.9	D249 V252 F254 P322 V323 D324 L325 V326	D249-R265 IonicContact OD1-NH1 3.14Å; D249-R265 PolarHBondContact OD1-NH1 3.46Å; V252-R265 HydrophobicContact CB-CG 4.47Å; V252-R265 HydrophobicContact CG1-CB 4.4Å; V252-R265 HydrophobicContact CG1-CG 3.23Å; F254-R265 HydrophobicContact CD1-CB 4.47Å; F254-R265 HydrophobicContact CE1-CB 4.05Å; F254-R265 HydrophobicContact CE1-CG 4.01Å; F254-R265 HydrophobicContact CE2-CG 4.42Å; F254-R265 HydrophobicContact CZ-CB 4.4Å; F254-R265 HydrophobicContact CZ-CG 3.86Å; R265-P322 HydrophobicContact CB-CB 4.49Å; R265-V323 PolarHBondContact N-O 3.11Å; R265-D324 IonicContact CZ-OD1 3.55Å; R265-D324 IonicContact CZ-OD2 3.87Å; R265-D324 IonicContact NE-OD1 3.7Å; R265-D324 PolarHBondContact NE-OD1 3.31Å; R265-D324 IonicContact NE-OD2 3.4Å; R265-D324 IonicContact NH2-OD1 2.73Å; R265-D324 PolarHBondContact NH2-OD1 3.41Å; R265-D324 VanDerWaalsContact NH2-OD1 3.14Å; R265-D324 IonicContact NH2-OD2 3.36Å; R265-D324 PolarHBondContact NH2-OD2 3.05Å; R265-L325 WeakPolarHBondContact O-CB 3.47Å; R265-L325 PolarHBondContact O-N 3.26Å; R265-L325 VanDerWaalsContact O-N 3.09Å; R265-V326 HydrophobicContact CG-CG2 4.15Å
266	L	93.8	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.3	-170.6	-67.2	174.1	0	0	0	112	V191 F203 V252 V253 V255 L325	V191-L266 HydrophobicContact CG2-CD1 4.48Å; F203-L266 HydrophobicContact CD2-CD1 3.61Å; F203-L266 HydrophobicContact CD2-CD2 4.37Å; F203-L266 HydrophobicContact CE2-CD1 3.86Å; F203-L266 HydrophobicContact CE2-CD2 4.38Å; F203-L266 HydrophobicContact CG-CD1 4.41Å; V252-L266 WeakPolarHBondContact CG1-O 3.5Å; V253-L266 PolarHBondContact N-O 3.22Å; V253-L266 PolarHBondContact O-N 3.07Å; V255-L266 HydrophobicContact CB-CD1 3.89Å; V255-L266 HydrophobicContact CG2-CD1 3.62Å; L266-L325 HydrophobicContact CD2-CB 4.11Å; L266-L325 HydrophobicContact CD2-CD1 3.49Å; L266-L325 VanDerWaalsContact CD2-CD1 3.49Å; L266-L325 HydrophobicContact CD2-CG 4.38Å
267	L	92.4	Very high	93.4	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	21%	0.211	C	C	.	.			trans	-59.6	142	166.1	-72.8	170.3	0	0	0	110.2	P207 L247 T269 C270 V326	P207-L267 HydrophobicContact CG-CD1 4.23Å; L247-L267 HydrophobicContact CD2-CD2 3.74Å; L267-T269 PolarHBondContact O-N 2.83Å; L267-C270 WeakPolarHBondContact O-CB 3.37Å; L267-C270 PolarHBondContact O-N 3.26Å; L267-C270 VanDerWaalsContact O-N 3.15Å; L267-V326 HydrophobicContact CD2-CG1 3.73Å; L267-V326 HydrophobicContact CD2-CG2 4.36Å; L267-V326 HydrophobicContact CG-CG1 4.15Å; L267-V326 HydrophobicContact CG-CG2 4.23Å
268	P	92.9	Very high	93.5	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.8	-179.2	28.1	-35.6	0	0	0	112.2	I176 P190 V191 G192 V230 Y251 V253 C270	I176-P268 HydrophobicContact CD1-CB 3.99Å; I176-P268 HydrophobicContact CD1-CG 4.44Å; P190-P268 WeakPolarHBondContact CB-O 3.21Å; V191-P268 PolarHBondContact N-O 2.8Å; G192-P268 PolarHBondContact N-O 3.23Å; V230-P268 HydrophobicContact CG1-CB 3.68Å; V230-P268 HydrophobicContact CG2-CB 4.23Å; Y251-P268 WeakPolarHBondContact O-CD 3.43Å; Y251-P268 WeakPolarHBondContact O-CG 3.29Å; V253-P268 HydrophobicContact CG2-CB 4.13Å; P268-C270 VanDerWaalsContact C-N 3.35Å
269	T	91.1	Very high	93.7	Very high	57 Å²	57	39.3 Å²	39.3	35%	0.35	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.9	178.5	54.8	0	0	0	0	114.4	I176 L267 M271	I176-T269 HydrophobicContact CD1-CG2 3.98Å; L267-T269 PolarHBondContact O-N 2.83Å; T269-M271 PolarHBondContact O-N 3.05Å
270	C	93.2	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.			trans	-63.3	128.3	176.3	-75.5	0	0	0	0	110.1	P190 V191 E204 I205 L267 P268	P190-C270 CarbonylContact C-O 3.57Å; P190-C270 WeakPolarHBondContact CA-O 3.32Å; V191-C270 VanDerWaalsContact CG2-O 3.32Å; V191-C270 WeakPolarHBondContact CG2-O 3.28Å; V191-C270 PolarHBondContact N-O 2.78Å; E204-C270 HydrophobicContact CB-CB 4.25Å; I205-C270 PolarHBondContact O-SG 2.83Å; L267-C270 WeakPolarHBondContact O-CB 3.37Å; L267-C270 PolarHBondContact O-N 3.26Å; L267-C270 VanDerWaalsContact O-N 3.15Å; P268-C270 VanDerWaalsContact C-N 3.35Å
271	M	95	Very high	94.7	Very high	6 Å²	6	37 Å²	37	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	150	178.7	-69.2	-64.3	-68	0	0	112	R119 V174 A188 P190 F203 E204 T269	R119-M271 HydrophobicContact CB-CE 4.26Å; V174-M271 HydrophobicContact CG2-SD 4.48Å; A188-M271 HydrophobicContact CB-CE 4.03Å; P190-M271 HydrophobicContact CB-SD 4.36Å; F203-M271 VanDerWaalsContact CA-O 3.28Å; F203-M271 WeakPolarHBondContact CA-O 3.49Å; E204-M271 HydrophobicContact CG-CB 4.02Å; E204-M271 PolarHBondContact N-O 3.46Å; E204-M271 PolarHBondContact OE2-N 3.36Å; T269-M271 PolarHBondContact O-N 3.05Å
272	S	96.6	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.4	173	64	0	0	0	0	110.9	A188 H189	A188-S272 CarbonylContact C-O 3.58Å; A188-S272 VanDerWaalsContact CA-O 3.22Å; A188-S272 WeakPolarHBondContact CA-O 3.37Å; H189-S272 PolarHBondContact N-O 2.94Å; H189-S272 PolarHBondContact O-N 3.16Å; H189-S272 VanDerWaalsContact O-O 3.06Å; H189-S272 PolarHBondContact O-OG 3.06Å; H189-S272 VanDerWaalsContact O-OG 3.07Å
273	V	97.6	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.2	173.4	176.8	0	0	0	0	108.3	R119 T161 D187 A188 I200 S201 Q202	R119-V273 HydrophobicContact CG-CG2 3.89Å; T161-V273 HydrophobicContact CG2-CG1 3.75Å; D187-V273 CarbonylContact O-C 3.48Å; D187-V273 WeakPolarHBondContact O-CA 3.43Å; A188-V273 HydrophobicContact CB-CG2 4.18Å; I200-V273 CarbonylContact C-O 3.55Å; I200-V273 VanDerWaalsContact CA-O 3.3Å; I200-V273 WeakPolarHBondContact CA-O 3.44Å; S201-V273 PolarHBondContact N-O 3.38Å; S201-V273 PolarHBondContact O-N 3.33Å; Q202-V273 HydrophobicContact CB-CB 4.2Å; Q202-V273 HydrophobicContact CB-CG2 3.98Å
274	V	98	Very high	94.9	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.8	177.7	178.5	0	0	0	0	110.1	P183 K184 G186 D187 L194	P183-V274 HydrophobicContact CB-CG1 3.77Å; P183-V274 HydrophobicContact CB-CG2 4.29Å; K184-V274 VanDerWaalsContact O-CB 3.27Å; K184-V274 WeakPolarHBondContact O-CB 3.31Å; K184-V274 WeakPolarHBondContact O-CG1 3.5Å; G186-V274 PolarHBondContact N-O 3.37Å; D187-V274 PolarHBondContact O-N 3.04Å; L194-V274 HydrophobicContact CD1-CG2 4Å; L194-V274 HydrophobicContact CD2-CG2 3.65Å
275	G	97.3	Very high	94.8	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	99.9	-176.5	179.1	0	0	0	0	0	114.1	I199 I200 S201	I199-G275 PolarHBondContact O-N 3.21Å; I200-G275 CarbonylContact C-O 3.46Å; I200-G275 VanDerWaalsContact C-O 3.23Å; S201-G275 WeakPolarHBondContact CB-O 3.21Å; S201-G275 PolarHBondContact N-O 3.13Å; S201-G275 VanDerWaalsContact N-O 3.17Å; S201-G275 PolarHBondContact OG-O 3.12Å
276	Q	97.1	Very high	94.6	Very high	50 Å²	50	48.9 Å²	48.9	23%	0.234	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-95.4	152.3	179.3	-177.6	-178.2	17.5	0	0	111	T161 V162 G218	T161-Q276 CarbonylContact C-O 3.57Å; T161-Q276 VanDerWaalsContact CA-O 3.23Å; T161-Q276 WeakPolarHBondContact CA-O 3.4Å; T161-Q276 WeakPolarHBondContact CB-O 3.38Å; V162-Q276 HydrophobicContact CG2-CB 3.82Å; V162-Q276 HydrophobicContact CG2-CG 4.05Å; V162-Q276 WeakPolarHBondContact CG2-O 3.39Å; V162-Q276 PolarHBondContact N-O 3.3Å; G218-Q276 PolarHBondContact O-NE2 3.37Å
277	V	98	Very high	94.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-66.7	139	172.3	-178.1	0	0	0	0	110.9	P144 I159 V162 Q202 C214 T216 G218 S219	P144-V277 HydrophobicContact CB-CG1 3.35Å; P144-V277 HydrophobicContact CG-CG1 4.24Å; I159-V277 HydrophobicContact CG2-CG1 3.72Å; V162-V277 WeakPolarHBondContact CG2-O 3.09Å; Q202-V277 HydrophobicContact CG-CG2 4.48Å; C214-V277 WeakPolarHBondContact O-CG2 3.49Å; T216-V277 VanDerWaalsContact O-CB 3.28Å; T216-V277 WeakPolarHBondContact O-CB 3.48Å; T216-V277 WeakPolarHBondContact O-CG1 3.23Å; G218-V277 WeakPolarHBondContact CA-O 3.21Å; G218-V277 PolarHBondContact N-O 3.1Å; G218-V277 VanDerWaalsContact N-O 3.13Å; S219-V277 WeakPolarHBondContact O-CG2 3.25Å; S219-V277 PolarHBondContact O-N 3.06Å; S219-V277 VanDerWaalsContact O-N 3.17Å
278	S	97.4	Very high	94.2	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	29%	0.289	C	S	.	.	S	Bend	trans	-50.3	165	175.3	56.1	0	0	0	0	115.1	F145 A160 T161 A217 G218	F145-S278 WeakPolarHBondContact CB-OG 3.49Å; F145-S278 PolarHBondContact N-OG 2.98Å; F145-S278 PolarHBondContact O-OG 2.86Å; A160-S278 WeakPolarHBondContact O-CB 3.06Å; A160-S278 PolarHBondContact O-N 3.47Å; A160-S278 PolarHBondContact O-OG 2.95Å; T161-S278 WeakPolarHBondContact O-CB 3.49Å; A217-S278 WeakPolarHBondContact CA-O 3.12Å; G218-S278 PolarHBondContact N-O 2.78Å
279	N	96.3	Very high	94.1	Very high	36 Å²	36	68 Å²	68	19%	0.193	32%	0.316	C	S	.	.			trans	64.1	53.2	179.5	-170.6	22.5	0	0	0	112.7	H143 F145 A217 N281 H282	H143-N279 PolarHBondContact O-ND2 3.27Å; F145-N279 HydrophobicContact CD1-CB 4.23Å; F145-N279 HydrophobicContact CD2-CB 4.47Å; F145-N279 HydrophobicContact CE1-CB 3.87Å; F145-N279 HydrophobicContact CE2-CB 4.14Å; F145-N279 HydrophobicContact CZ-CB 3.83Å; A217-N279 HydrophobicContact CB-CB 4.02Å; A217-N279 WeakPolarHBondContact CB-O 3.36Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 3.01Å; N279-H282 VanDerWaalsContact O-CB 3.26Å; N279-H282 WeakPolarHBondContact O-CB 3.49Å; N279-H282 PolarHBondContact O-N 3.14Å; N279-H282 VanDerWaalsContact O-N 3.16Å
280	Q	95	Very high	93.6	Very high	90 Å²	90	71.9 Å²	71.9	42%	0.421	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-57.5	-40.3	-177.3	-55	-176.4	13.6	0	0	113.2	V162 H282	V162-Q280 HydrophobicContact CG1-CG 4.28Å; V162-Q280 HydrophobicContact CG2-CG 3.55Å; Q280-H282 PolarHBondContact O-N 2.94Å
281	N	95.1	Very high	93.4	Very high	102 Å²	102	73.1 Å²	73.1	55%	0.545	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-75.3	12	-178.1	-61.1	-13.8	0	0	0	113.2	N279 D283 Q284	N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 3.01Å; N281-D283 PolarHBondContact O-N 2.87Å; N281-Q284 WeakPolarHBondContact O-CB 3.49Å; N281-Q284 PolarHBondContact O-N 3.44Å; N281-Q284 VanDerWaalsContact O-N 3.1Å
282	H	93.1	Very high	93.2	Very high	52 Å²	52	74.4 Å²	74.4	24%	0.241	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60.3	-32.8	-179.9	-175.1	50.4	0	0	0	113.2	H143 A217 N279 Q280 Q284 F285	H143-H282 AromaticContact CE1-NE2 3.43Å; H143-H282 PolarHBondContact CE1-NE2 3.25Å; H143-H282 AromaticContact CG-CD2 3.84Å; H143-H282 AromaticContact CG-NE2 3.49Å; H143-H282 AromaticContact ND1-CD2 3.61Å; H143-H282 AromaticContact ND1-CE1 3.26Å; H143-H282 PolarHBondContact ND1-CE1 2.68Å; H143-H282 VanDerWaalsContact ND1-CE1 3.26Å; H143-H282 AromaticContact ND1-NE2 2.78Å; H143-H282 PolarHBondContact ND1-NE2 3.32Å; A217-H282 HydrophobicContact CB-CB 3.67Å; N279-H282 VanDerWaalsContact O-CB 3.26Å; N279-H282 WeakPolarHBondContact O-CB 3.49Å; N279-H282 PolarHBondContact O-N 3.14Å; N279-H282 VanDerWaalsContact O-N 3.16Å; Q280-H282 PolarHBondContact O-N 2.94Å; H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 PolarHBondContact O-N 3.27Å; H282-F285 VanDerWaalsContact O-CB 3.31Å; H282-F285 WeakPolarHBondContact O-CB 3.41Å; H282-F285 PolarHBondContact O-N 3.43Å
283	D	91	Very high	92.9	Very high	161 Å²	161	78.1 Å²	78.1	86%	0.861	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-68	-27.3	178.1	-167.7	48.6	0	0	0	112.6	N281 F285	N281-D283 PolarHBondContact O-N 2.87Å; D283-F285 VanDerWaalsContact C-N 3.28Å; D283-F285 PolarHBondContact O-N 2.99Å
284	Q	93.8	Very high	92.6	Very high	141 Å²	141	83.8 Å²	83.8	66%	0.659	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-77.8	-15.3	176.6	-59.4	173.5	-6.6	0	0	112.3	N281 H282 K286	N281-Q284 WeakPolarHBondContact O-CB 3.49Å; N281-Q284 PolarHBondContact O-N 3.44Å; N281-Q284 VanDerWaalsContact O-N 3.1Å; H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 PolarHBondContact O-N 3.27Å; Q284-K286 PolarHBondContact O-N 3.04Å
285	F	91.5	Very high	92.2	Very high	89 Å²	89	89 Å²	89	39%	0.39	41%	0.407	S	S	.	.			trans	-67.8	116.9	-178.1	176.9	-95.1	0	0	0	111.5	H282 D283 F287	H282-F285 VanDerWaalsContact O-CB 3.31Å; H282-F285 WeakPolarHBondContact O-CB 3.41Å; H282-F285 PolarHBondContact O-N 3.43Å; D283-F285 VanDerWaalsContact C-N 3.28Å; D283-F285 PolarHBondContact O-N 2.99Å; F285-F287 HydrophobicContact CE1-CD1 4.12Å; F285-F287 HydrophobicContact CE1-CE1 4.16Å
286	K	90.3	Very high	91.8	Very high	174 Å²	174	92 Å²	92	76%	0.757	42%	0.417	S	S	*	.			trans	-105.9	142.7	172.7	-65.1	178.3	-176.2	173.4	0	110.7	Q284 R288	Q284-K286 PolarHBondContact O-N 3.04Å; K286-R288 PolarHBondContact O-N 2.82Å
287	F	89	Confident	91.4	Very high	79 Å²	79	89.9 Å²	89.9	35%	0.346	41%	0.409	S	S	.	.			trans	-68.1	126.2	170.2	-67.3	-74.8	0	0	0	109.7	F285 E292 K293 R296	F285-F287 HydrophobicContact CE1-CD1 4.12Å; F285-F287 HydrophobicContact CE1-CE1 4.16Å; F287-E292 VanDerWaalsContact CA-OE2 3.24Å; F287-E292 WeakPolarHBondContact CA-OE2 3.33Å; F287-E292 HydrophobicContact CD1-CB 3.74Å; F287-E292 HydrophobicContact CE1-CB 4.42Å; F287-K293 HydrophobicContact CD1-CG 4.09Å; F287-K293 HydrophobicContact CD2-CG 3.98Å; F287-K293 HydrophobicContact CE1-CG 4.15Å; F287-K293 HydrophobicContact CE2-CG 4.07Å; F287-K293 HydrophobicContact CG-CG 3.98Å; F287-K293 HydrophobicContact CZ-CG 4.15Å; F287-R296 HydrophobicContact CE1-CG 4.35Å
288	R	89	Confident	91	Very high	227 Å²	227	93.6 Å²	93.6	86%	0.857	43%	0.428	S	S	*	.			trans	-85.6	-36.4	-177.3	-58.9	178.6	75.9	165.6	2.8	111.9	K286 E292	K286-R288 PolarHBondContact O-N 2.82Å; R288-E292 PolarHBondContact N-OE2 2.91Å
289	K	89.9	Confident	90.7	Very high	152 Å²	152	99.3 Å²	99.3	66%	0.661	45%	0.453	S	S	*	.	S	Bend	trans	-124.5	149.3	-179.1	-60.1	-176.4	-179.5	-175.4	0	111.6	G291 E292	K289-G291 PolarHBondContact O-N 3.03Å; K289-E292 HydrophobicContact CB-CG 4.26Å; K289-E292 WeakPolarHBondContact O-CB 3.26Å; K289-E292 PolarHBondContact O-N 3.18Å; K289-E292 VanDerWaalsContact O-N 3.1Å
290	F	81.9	Confident	90.2	Very high	137 Å²	137	101.4 Å²	101.4	60%	0.601	46%	0.461	S	S	*	.	H	α-helix	trans	-56.9	-34	178	-174.5	-113.1	0	0	0	113.1	E292 Q300	F290-E292 PolarHBondContact O-N 2.91Å; F290-Q300 HydrophobicContact CD1-CG 4.46Å; F290-Q300 HydrophobicContact CE1-CB 4.42Å; F290-Q300 HydrophobicContact CE1-CG 3.79Å; F290-Q300 VanDerWaalsContact CE1-OE1 3.25Å; F290-Q300 HydrophobicContact CE2-CB 4.21Å; F290-Q300 HydrophobicContact CE2-CG 3.92Å; F290-Q300 HydrophobicContact CZ-CB 3.71Å; F290-Q300 HydrophobicContact CZ-CG 3.45Å; F290-Q300 VanDerWaalsContact CZ-CG 3.45Å
291	G	89.1	Confident	89.6	Confident	27 Å²	27	104.1 Å²	104.1	28%	0.278	47%	0.467	S	S	.	.	H	α-helix	trans	-68.5	-23.7	177.7	0	0	0	0	0	115.2	K289 K293 K294 W295	K289-G291 PolarHBondContact O-N 3.03Å; G291-K293 VanDerWaalsContact C-N 3.28Å; G291-K293 PolarHBondContact O-N 3.27Å; G291-K294 WeakPolarHBondContact O-CA 3.34Å; G291-K294 WeakPolarHBondContact O-CB 3.31Å; G291-K294 PolarHBondContact O-N 3.38Å; G291-W295 PolarHBondContact O-N 3Å
292	E	90.2	Very high	88.5	Confident	32 Å²	32	105.2 Å²	105.2	15%	0.15	48%	0.483	C	S	.	.	H	α-helix	trans	-64.7	-33	-176.8	-68.7	178.7	177.9	0	0	112.7	F287 R288 K289 F290 K294 W295 R296	F287-E292 VanDerWaalsContact CA-OE2 3.24Å; F287-E292 WeakPolarHBondContact CA-OE2 3.33Å; F287-E292 HydrophobicContact CD1-CB 3.74Å; F287-E292 HydrophobicContact CE1-CB 4.42Å; R288-E292 PolarHBondContact N-OE2 2.91Å; K289-E292 HydrophobicContact CB-CG 4.26Å; K289-E292 WeakPolarHBondContact O-CB 3.26Å; K289-E292 PolarHBondContact O-N 3.18Å; K289-E292 VanDerWaalsContact O-N 3.1Å; F290-E292 PolarHBondContact O-N 2.91Å; E292-K294 VanDerWaalsContact C-N 3.34Å; E292-W295 HydrophobicContact CB-CE3 4.29Å; E292-W295 HydrophobicContact CG-CE3 3.89Å; E292-W295 HydrophobicContact CG-CZ3 3.83Å; E292-W295 PolarHBondContact O-N 3.33Å; E292-R296 PolarHBondContact O-N 2.85Å; E292-R296 VanDerWaalsContact O-N 3.16Å
293	K	89.8	Confident	87.3	Confident	79 Å²	79	105.3 Å²	105.3	34%	0.343	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-44.6	173.5	-72.9	-178.4	179.5	172.6	0	110.8	F287 G291 W295 R296 G297 I298	F287-K293 HydrophobicContact CD1-CG 4.09Å; F287-K293 HydrophobicContact CD2-CG 3.98Å; F287-K293 HydrophobicContact CE1-CG 4.15Å; F287-K293 HydrophobicContact CE2-CG 4.07Å; F287-K293 HydrophobicContact CG-CG 3.98Å; F287-K293 HydrophobicContact CZ-CG 4.15Å; G291-K293 VanDerWaalsContact C-N 3.28Å; G291-K293 PolarHBondContact O-N 3.27Å; K293-W295 VanDerWaalsContact C-N 3.33Å; K293-W295 PolarHBondContact O-N 2.94Å; K293-R296 PolarHBondContact O-N 2.79Å; K293-G297 PolarHBondContact O-N 3.46Å; K293-I298 CarbonylContact C-O 3.51Å; K293-I298 HydrophobicContact CB-CB 4.48Å; K293-I298 WeakPolarHBondContact O-CB 3.31Å; K293-I298 PolarHBondContact O-N 2.88Å
294	K	90.9	Very high	86.2	Confident	119 Å²	119	104.8 Å²	104.8	52%	0.517	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-45.2	175.8	-172.8	178.4	178.7	-179	0	110	T105 G107 G291 E292 R296 G297	T105-K294 HydrophobicContact CG2-CG 4.37Å; G107-K294 WeakPolarHBondContact CA-O 3.48Å; G291-K294 WeakPolarHBondContact O-CA 3.34Å; G291-K294 WeakPolarHBondContact O-CB 3.31Å; G291-K294 PolarHBondContact O-N 3.38Å; E292-K294 VanDerWaalsContact C-N 3.34Å; K294-R296 VanDerWaalsContact C-N 3.26Å; K294-R296 PolarHBondContact O-N 3.23Å; K294-G297 WeakPolarHBondContact O-CA 3.15Å; K294-G297 PolarHBondContact O-N 2.81Å
295	W	90.6	Very high	85.1	Confident	115 Å²	115	105.7 Å²	105.7	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-58.2	-34.9	178.2	-61.4	-18.5	0	0	0	113.9	L108 G291 E292 K293 G297	L108-W295 HydrophobicContact CD1-CB 3.81Å; L108-W295 HydrophobicContact CD1-CD2 4.31Å; L108-W295 HydrophobicContact CD1-CG 3.82Å; L108-W295 HydrophobicContact CG-CB 3.93Å; L108-W295 HydrophobicContact CG-CG 4.05Å; L108-W295 PolarHBondContact N-O 2.94Å; G291-W295 PolarHBondContact O-N 3Å; E292-W295 HydrophobicContact CB-CE3 4.29Å; E292-W295 HydrophobicContact CG-CE3 3.89Å; E292-W295 HydrophobicContact CG-CZ3 3.83Å; E292-W295 PolarHBondContact O-N 3.33Å; K293-W295 VanDerWaalsContact C-N 3.33Å; K293-W295 PolarHBondContact O-N 2.94Å; W295-G297 PolarHBondContact O-N 2.66Å
296	R	88.5	Confident	83.9	Confident	67 Å²	67	107.7 Å²	107.7	25%	0.253	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.3	174.4	-66.6	-166.7	-174.6	-86.1	0.2	114	R89 W140 F287 E292 K293 K294 I298	R89-R296 PolarHBondContact NH2-O 3.14Å; R89-R296 VanDerWaalsContact NH2-O 3.11Å; W140-R296 HydrophobicContact CE3-CG 4.22Å; W140-R296 HydrophobicContact CZ3-CG 3.92Å; F287-R296 HydrophobicContact CE1-CG 4.35Å; E292-R296 PolarHBondContact O-N 2.85Å; E292-R296 VanDerWaalsContact O-N 3.16Å; K293-R296 PolarHBondContact O-N 2.79Å; K294-R296 VanDerWaalsContact C-N 3.26Å; K294-R296 PolarHBondContact O-N 3.23Å; R296-I298 HydrophobicContact CB-CD1 4.32Å; R296-I298 HydrophobicContact CB-CG1 4.39Å
297	G	89.6	Confident	82.8	Confident	6 Å²	6	107.4 Å²	107.4	6%	0.062	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	27.7	-176.2	0	0	0	0	0	112.9	V104 T105 K293 K294 W295	V104-G297 CarbonylContact C-O 3.51Å; V104-G297 WeakPolarHBondContact CA-O 3.21Å; T105-G297 PolarHBondContact N-O 3.45Å; T105-G297 WeakPolarHBondContact O-CA 3.48Å; K293-G297 PolarHBondContact O-N 3.46Å; K294-G297 WeakPolarHBondContact O-CA 3.15Å; K294-G297 PolarHBondContact O-N 2.81Å; W295-G297 PolarHBondContact O-N 2.66Å
298	I	89.9	Confident	81.8	Confident	78 Å²	78	110.8 Å²	110.8	40%	0.4	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-103.2	125	174.9	-58	171.4	0	0	0	107.8	K293 R296	K293-I298 CarbonylContact C-O 3.51Å; K293-I298 HydrophobicContact CB-CB 4.48Å; K293-I298 WeakPolarHBondContact O-CB 3.31Å; K293-I298 PolarHBondContact O-N 2.88Å; R296-I298 HydrophobicContact CB-CD1 4.32Å; R296-I298 HydrophobicContact CB-CG1 4.39Å
299	K	89.9	Confident	80.6	Confident	123 Å²	123	103.5 Å²	103.5	54%	0.535	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-65.7	137.9	175.2	-163.1	172	-178.9	173.5	0	109.6	K102 H103 T105	K102-K299 VanDerWaalsContact O-CD 3.31Å; K102-K299 WeakPolarHBondContact O-CD 3.44Å; H103-K299 WeakPolarHBondContact O-CB 3.41Å; H103-K299 PolarHBondContact O-N 3.4Å; T105-K299 WeakPolarHBondContact OG1-CA 3.37Å; T105-K299 WeakPolarHBondContact OG1-CB 3.18Å
300	Q	86.5	Confident	79.5	Confident	79 Å²	79	99.3 Å²	99.3	37%	0.369	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-63.8	143.1	172.6	-67.7	159	-13.7	0	0	109.3	F290	F290-Q300 HydrophobicContact CD1-CG 4.46Å; F290-Q300 HydrophobicContact CE1-CB 4.42Å; F290-Q300 HydrophobicContact CE1-CG 3.79Å; F290-Q300 VanDerWaalsContact CE1-OE1 3.25Å; F290-Q300 HydrophobicContact CE2-CB 4.21Å; F290-Q300 HydrophobicContact CE2-CG 3.92Å; F290-Q300 HydrophobicContact CZ-CB 3.71Å; F290-Q300 HydrophobicContact CZ-CG 3.45Å; F290-Q300 VanDerWaalsContact CZ-CG 3.45Å
301	R	81.7	Confident	79.2	Confident	147 Å²	147	103.9 Å²	103.9	56%	0.555	51%	0.506	S	S	*	.			trans	-112.9	131.9	174.2	62.1	-175.7	-63.8	175.4	6.7	108.1
302	S	71.7	Confident	78.6	Confident	125 Å²	125	108.4 Å²	108.4	87%	0.874	52%	0.518	S	S	*	.			trans	-69.9	134.9	155.8	51.1	0	0	0	0	106.8
303	G	68.4	Low	77.7	Confident	55 Å²	55	109.6 Å²	109.6	57%	0.567	54%	0.539	S	S	*	.	S	Bend	trans	127.4	118	171.2	0	0	0	0	0	113.5	W305	G303-W305 PolarHBondContact O-N 2.96Å
304	L	68.9	Low	76.9	Confident	150 Å²	150	113.6 Å²	113.6	79%	0.785	55%	0.552	S	S	*	*			trans	-64.4	77	154.2	-173.9	71.4	0	0	0	107.9	Q306	L304-Q306 HydrophobicContact CD2-CG 4.16Å; L304-Q306 HydrophobicContact CG-CG 3.99Å; L304-Q306 PolarHBondContact O-N 3.1Å
305	W	69	Low	76.3	Confident	159 Å²	159	116.5 Å²	116.5	60%	0.602	57%	0.565	S	S	*	*			trans	-69.8	101.4	169.7	-178.8	78.9	0	0	0	108	G303 R307	G303-W305 PolarHBondContact O-N 2.96Å; W305-R307 HydrophobicContact CE3-CG 3.89Å; W305-R307 HydrophobicContact CH2-CB 4.35Å; W305-R307 HydrophobicContact CH2-CG 3.37Å; W305-R307 HydrophobicContact CZ2-CG 4.41Å; W305-R307 HydrophobicContact CZ3-CB 4.22Å; W305-R307 HydrophobicContact CZ3-CG 3.05Å; W305-R307 PolarHBondContact O-N 2.87Å
306	Q	67.3	Low	75.7	Confident	131 Å²	131	118.6 Å²	118.6	61%	0.612	58%	0.583	S	S	*	*			trans	-75.3	120.3	172.7	-61.4	-160.7	6.9	0	0	108.5	L304 K308	L304-Q306 HydrophobicContact CD2-CG 4.16Å; L304-Q306 HydrophobicContact CG-CG 3.99Å; L304-Q306 PolarHBondContact O-N 3.1Å; Q306-K308 PolarHBondContact O-N 2.88Å
307	R	67.6	Low	75.3	Confident	168 Å²	168	125 Å²	125	63%	0.634	61%	0.607	S	S	*	*			trans	-59.2	134.4	160.7	-78.7	-178	171.1	161.5	1.1	106.6	W305 T309	W305-R307 HydrophobicContact CE3-CG 3.89Å; W305-R307 HydrophobicContact CH2-CB 4.35Å; W305-R307 HydrophobicContact CH2-CG 3.37Å; W305-R307 HydrophobicContact CZ2-CG 4.41Å; W305-R307 HydrophobicContact CZ3-CB 4.22Å; W305-R307 HydrophobicContact CZ3-CG 3.05Å; W305-R307 PolarHBondContact O-N 2.87Å; R307-T309 PolarHBondContact O-N 2.88Å
308	K	68	Low	75.1	Confident	151 Å²	151	130.4 Å²	130.4	66%	0.657	64%	0.641	S	S	*	*			trans	-52.1	111.7	160.5	-69.2	-171.7	177.9	-169.2	0	107.9	Q306 F312 R314	Q306-K308 PolarHBondContact O-N 2.88Å; K308-F312 HydrophobicContact CB-CB 4.12Å; K308-F312 HydrophobicContact CB-CD2 4.05Å; K308-F312 HydrophobicContact CB-CG 4.42Å; K308-F312 HydrophobicContact CD-CB 4.43Å; K308-F312 HydrophobicContact CG-CB 4.36Å; K308-F312 HydrophobicContact CG-CD2 4.3Å; K308-F312 HydrophobicContact CG-CG 4.47Å; K308-R314 PolarHBondContact O-NE 2.98Å; K308-R314 PolarHBondContact O-NH2 2.73Å
309	T	63.6	Low	74.8	Confident	73 Å²	73	131.9 Å²	131.9	45%	0.448	65%	0.649	S	S	.	*			trans	-74	172.9	173	54.8	0	0	0	0	110.3	R307 R311 F312	R307-T309 PolarHBondContact O-N 2.88Å; T309-R311 PolarHBondContact O-N 3.47Å; T309-F312 PolarHBondContact O-N 2.92Å
310	G	66.3	Low	74.7	Confident	65 Å²	65	128.2 Å²	128.2	67%	0.67	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-54.8	-29.8	175.8	0	0	0	0	0	113.4	F312 G313	G310-F312 PolarHBondContact O-N 2.83Å; G310-F312 VanDerWaalsContact O-N 3.16Å; G310-G313 PolarHBondContact O-N 2.93Å
311	R	75.6	Confident	74.9	Confident	232 Å²	232	130 Å²	130	88%	0.875	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-53.4	-33.2	174	173.2	176.9	-90.2	151.2	-5.3	113.3	T309 G313	T309-R311 PolarHBondContact O-N 3.47Å; R311-G313 VanDerWaalsContact C-N 3.31Å
312	F	76.4	Confident	75.4	Confident	123 Å²	123	125.8 Å²	125.8	54%	0.539	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-88.7	5.8	179.9	-58.7	-71.2	0	0	0	113.8	K308 T309 G310	K308-F312 HydrophobicContact CB-CB 4.12Å; K308-F312 HydrophobicContact CB-CD2 4.05Å; K308-F312 HydrophobicContact CB-CG 4.42Å; K308-F312 HydrophobicContact CD-CB 4.43Å; K308-F312 HydrophobicContact CG-CB 4.36Å; K308-F312 HydrophobicContact CG-CD2 4.3Å; K308-F312 HydrophobicContact CG-CG 4.47Å; T309-F312 PolarHBondContact O-N 2.92Å; G310-F312 PolarHBondContact O-N 2.83Å; G310-F312 VanDerWaalsContact O-N 3.16Å
313	G	71.2	Confident	76.4	Confident	57 Å²	57	122.6 Å²	122.6	59%	0.588	63%	0.631	S	S	*	*			trans	67.1	104.1	-175.6	0	0	0	0	0	112.2	G310 R311	G310-G313 PolarHBondContact O-N 2.93Å; R311-G313 VanDerWaalsContact C-N 3.31Å
314	R	73.2	Confident	77.4	Confident	162 Å²	162	122.7 Å²	122.7	61%	0.611	62%	0.618	S	S	*	*			trans	-84.8	117.8	161.1	-73.8	-169.7	177.5	-178.3	3.4	107.8	K308 I316	K308-R314 PolarHBondContact O-NE 2.98Å; K308-R314 PolarHBondContact O-NH2 2.73Å; R314-I316 PolarHBondContact O-N 3.45Å
315	K	78.9	Confident	78.2	Confident	180 Å²	180	116.8 Å²	116.8	78%	0.783	59%	0.587	S	S	*	*			trans	-60.2	101.3	168.2	-171.8	166	-173.8	167.5	0	108.4	R317	K315-R317 PolarHBondContact O-N 2.71Å
316	I	76.7	Confident	78.9	Confident	159 Å²	159	110.5 Å²	110.5	82%	0.815	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.8	117.8	170	-60.7	174.9	0	0	0	105.5	R314	R314-I316 PolarHBondContact O-N 3.45Å
317	R	81.1	Confident	79.2	Confident	202 Å²	202	106.3 Å²	106.3	76%	0.762	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-91	142	174.2	-67.9	-173.9	172	110.2	-3.7	108.1	K315	K315-R317 PolarHBondContact O-N 2.71Å
318	P	84.4	Confident	79.1	Confident	119 Å²	119	102.9 Å²	102.9	77%	0.773	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-56.5	153.2	169.2	26.9	-34.3	0	0	0	109.4	G320	P318-G320 PolarHBondContact O-N 3.48Å; P318-G320 VanDerWaalsContact O-N 3.09Å
319	I	84.7	Confident	78.7	Confident	110 Å²	110	103.1 Å²	103.1	56%	0.564	56%	0.555	S	S	*	*			trans	-63.5	115.6	169.6	-62.3	163.1	0	0	0	105.5	R261	R261-I319 HydrophobicContact CB-CD1 4.21Å; R261-I319 WeakPolarHBondContact O-CG2 3.31Å
320	G	88.2	Confident	78.4	Confident	46 Å²	46	103.6 Å²	103.6	47%	0.474	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-63.7	170.7	177.8	0	0	0	0	0	111.7	P318	P318-G320 PolarHBondContact O-N 3.48Å; P318-G320 VanDerWaalsContact O-N 3.09Å
321	P	91	Very high	78	Confident	117 Å²	117	105.2 Å²	105.2	76%	0.76	56%	0.562	S	S	*	*	S	Bend	trans	-57.2	158.9	176.9	26.6	-35.4	0	0	0	111.5	V323	P321-V323 PolarHBondContact O-N 2.93Å
322	P	91.8	Very high	77.4	Confident	57 Å²	57	97.8 Å²	97.8	37%	0.37	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-50.7	133.1	174.7	-26.5	35.5	0	0	0	111.6	F254 I263 R265 D324	F254-P322 HydrophobicContact CD1-CB 4.03Å; F254-P322 HydrophobicContact CD1-CG 4.06Å; F254-P322 HydrophobicContact CE1-CB 3.78Å; F254-P322 HydrophobicContact CE1-CG 3.78Å; I263-P322 HydrophobicContact CB-CB 4.27Å; I263-P322 HydrophobicContact CB-CG 4.36Å; I263-P322 HydrophobicContact CG2-CB 3.96Å; I263-P322 HydrophobicContact CG2-CG 4.03Å; I263-P322 WeakPolarHBondContact O-CA 3.11Å; R265-P322 HydrophobicContact CB-CB 4.49Å; P322-D324 PolarHBondContact O-N 2.78Å
323	V	91.7	Very high	76.8	Confident	59 Å²	59	99.1 Å²	99.1	36%	0.358	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73	113.9	174.5	178.6	0	0	0	0	107.8	I263 Y264 R265 P321 L325	I263-V323 PolarHBondContact O-N 3.26Å; Y264-V323 HydrophobicContact CD1-CB 3.76Å; Y264-V323 HydrophobicContact CD1-CG1 4.09Å; Y264-V323 HydrophobicContact CD1-CG2 4.39Å; Y264-V323 HydrophobicContact CE1-CB 4.03Å; Y264-V323 HydrophobicContact CE1-CG1 4.21Å; Y264-V323 HydrophobicContact CE1-CG2 4.24Å; R265-V323 PolarHBondContact N-O 3.11Å; P321-V323 PolarHBondContact O-N 2.93Å; V323-L325 HydrophobicContact CG1-CD2 3.98Å; V323-L325 HydrophobicContact CG1-CG 4.43Å; V323-L325 PolarHBondContact O-N 2.8Å
324	D	89	Confident	76.5	Confident	56 Å²	56	103.9 Å²	103.9	30%	0.299	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.4	117	177.6	-171.4	19	0	0	0	111.9	R265 P322 V326 S327	R265-D324 IonicContact CZ-OD1 3.55Å; R265-D324 IonicContact CZ-OD2 3.87Å; R265-D324 IonicContact NE-OD1 3.7Å; R265-D324 PolarHBondContact NE-OD1 3.31Å; R265-D324 IonicContact NE-OD2 3.4Å; R265-D324 IonicContact NH2-OD1 2.73Å; R265-D324 PolarHBondContact NH2-OD1 3.41Å; R265-D324 VanDerWaalsContact NH2-OD1 3.14Å; R265-D324 IonicContact NH2-OD2 3.36Å; R265-D324 PolarHBondContact NH2-OD2 3.05Å; P322-D324 PolarHBondContact O-N 2.78Å; D324-V326 WeakPolarHBondContact OD1-CB 3.26Å; D324-V326 PolarHBondContact OD1-N 3.16Å; D324-S327 PolarHBondContact OD1-N 3.33Å; D324-S327 WeakPolarHBondContact OD2-CB 3.19Å; D324-S327 PolarHBondContact OD2-N 3.28Å
325	L	86.2	Confident	76	Confident	26 Å²	26	104.8 Å²	104.8	14%	0.136	57%	0.567	C	S	.	*			trans	-112.2	0.6	174.2	-56.5	176	0	0	0	112.3	I205 F213 Y264 R265 L266 V323	I205-L325 HydrophobicContact CG2-CB 4.04Å; I205-L325 HydrophobicContact CG2-CD1 4.12Å; I205-L325 HydrophobicContact CG2-CD2 3.94Å; I205-L325 HydrophobicContact CG2-CG 4.25Å; F213-L325 HydrophobicContact CD2-CD1 4.49Å; F213-L325 HydrophobicContact CE2-CD1 3.79Å; Y264-L325 HydrophobicContact CD1-CD1 3.64Å; Y264-L325 HydrophobicContact CD1-CG 4.26Å; Y264-L325 HydrophobicContact CG-CD1 4.2Å; R265-L325 WeakPolarHBondContact O-CB 3.47Å; R265-L325 PolarHBondContact O-N 3.26Å; R265-L325 VanDerWaalsContact O-N 3.09Å; L266-L325 HydrophobicContact CD2-CB 4.11Å; L266-L325 HydrophobicContact CD2-CD1 3.49Å; L266-L325 VanDerWaalsContact CD2-CD1 3.49Å; L266-L325 HydrophobicContact CD2-CG 4.38Å; V323-L325 HydrophobicContact CG1-CD2 3.98Å; V323-L325 HydrophobicContact CG1-CG 4.43Å; V323-L325 PolarHBondContact O-N 2.8Å
326	V	84	Confident	75.2	Confident	27 Å²	27	106.2 Å²	106.2	16%	0.164	57%	0.567	C	S	.	*	S	Bend	trans	-83.4	-49	178.8	179.8	0	0	0	0	110.4	L247 V252 R265 L267 D324 S328	L247-V326 HydrophobicContact CB-CG1 4.04Å; L247-V326 HydrophobicContact CD2-CG1 4.01Å; V252-V326 HydrophobicContact CG1-CG2 3.99Å; V252-V326 HydrophobicContact CG2-CG2 4.28Å; R265-V326 HydrophobicContact CG-CG2 4.15Å; L267-V326 HydrophobicContact CD2-CG1 3.73Å; L267-V326 HydrophobicContact CD2-CG2 4.36Å; L267-V326 HydrophobicContact CG-CG1 4.15Å; L267-V326 HydrophobicContact CG-CG2 4.23Å; D324-V326 WeakPolarHBondContact OD1-CB 3.26Å; D324-V326 PolarHBondContact OD1-N 3.16Å; V326-S328 PolarHBondContact O-N 2.82Å
327	S	74.4	Confident	73.8	Confident	44 Å²	44	106 Å²	106	31%	0.308	57%	0.567	S	S	.	*			trans	-67.2	124.8	-176.7	-176.2	0	0	0	0	111.9	D324 K329	D324-S327 PolarHBondContact OD1-N 3.33Å; D324-S327 WeakPolarHBondContact OD2-CB 3.19Å; D324-S327 PolarHBondContact OD2-N 3.28Å; S327-K329 VanDerWaalsContact C-N 3.3Å; S327-K329 PolarHBondContact O-N 2.99Å; S327-K329 VanDerWaalsContact OG-CG 3.23Å; S327-K329 WeakPolarHBondContact OG-CG 3.46Å
328	S	65	Low	72.4	Confident	96 Å²	96	104.4 Å²	104.4	67%	0.671	57%	0.565	S	S	*	*			trans	-86.6	69.2	164.4	57.3	0	0	0	0	109.8	V326 S330	V326-S328 PolarHBondContact O-N 2.82Å; S328-S330 PolarHBondContact O-N 3.34Å
329	K	59.2	Low	70.7	Confident	156 Å²	156	104.6 Å²	104.6	68%	0.678	57%	0.568	S	S	*	*			trans	-63.3	115.4	167.1	-57.9	-164.7	178.3	-167.8	0	107.1	E246 S327	E246-K329 IonicContact OE1-NZ 2.66Å; S327-K329 VanDerWaalsContact C-N 3.3Å; S327-K329 PolarHBondContact O-N 2.99Å; S327-K329 VanDerWaalsContact OG-CG 3.23Å; S327-K329 WeakPolarHBondContact OG-CG 3.46Å
330	S	56.8	Low	68.8	Low	83 Å²	83	102.4 Å²	102.4	58%	0.58	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-56.8	155	162.7	47.4	0	0	0	0	108	S328	S328-S330 PolarHBondContact O-N 3.34Å
331	S	59.2	Low	67.2	Low	98 Å²	98	110.1 Å²	110.1	69%	0.685	58%	0.579	S	S	*	*	S	Bend	trans	-50.1	136.3	160.6	45.5	0	0	0	0	107.3	D333	S331-D333 PolarHBondContact O-N 2.85Å
332	P	61.6	Low	65	Low	77 Å²	77	110.7 Å²	110.7	50%	0.5	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-49.9	134.7	-179.4	19.8	-31.4	0	0	0	110	Y334	P332-Y334 HydrophobicContact CB-CD1 3.55Å; P332-Y334 HydrophobicContact CB-CE1 3.33Å; P332-Y334 HydrophobicContact CB-CG 4.34Å; P332-Y334 HydrophobicContact CG-CD1 4.41Å; P332-Y334 HydrophobicContact CG-CE1 3.94Å; P332-Y334 PolarHBondContact O-N 3.43Å
333	D	64.6	Low	63.5	Low	151 Å²	151	111.8 Å²	111.8	81%	0.807	61%	0.605	S	S	*	*	S	Bend	trans	-64.4	-6.3	-178.4	-77.1	-18.7	0	0	0	113.3	S331	S331-D333 PolarHBondContact O-N 2.85Å
334	Y	65.8	Low	61.9	Low	156 Å²	156	114.4 Å²	114.4	61%	0.612	61%	0.608	S	S	*	*	S	Bend	trans	-87.4	123.9	171.8	72.1	-96.3	0	0	0	111.1	P332 R336	P332-Y334 HydrophobicContact CB-CD1 3.55Å; P332-Y334 HydrophobicContact CB-CE1 3.33Å; P332-Y334 HydrophobicContact CB-CG 4.34Å; P332-Y334 HydrophobicContact CG-CD1 4.41Å; P332-Y334 HydrophobicContact CG-CE1 3.94Å; P332-Y334 PolarHBondContact O-N 3.43Å; Y334-R336 PolarHBondContact O-N 3.2Å
335	F	60.9	Low	61	Low	182 Å²	182	115 Å²	115	80%	0.798	62%	0.617	S	S	*	*			trans	-74.2	123.1	163.7	-61.5	-83.4	0	0	0	108.7	L337	F335-L337 PolarHBondContact O-N 3.41Å
336	R	62.3	Low	59.9	Low	209 Å²	209	119.5 Å²	119.5	79%	0.789	64%	0.641	S	S	*	*			trans	-71.9	95.5	168.2	-174.9	-179.6	-68.1	178.4	-1.2	108.4	Y334 K338	Y334-R336 PolarHBondContact O-N 3.2Å; R336-K338 PolarHBondContact O-N 3.48Å; R336-K338 VanDerWaalsContact O-N 3.11Å
337	L	48.6	Very low	59.2	Low	155 Å²	155	125 Å²	125	81%	0.812	66%	0.663	S	S	*	*			trans	-59.5	113	169.3	-77.5	164.4	0	0	0	108.8	F335 C339	F335-L337 PolarHBondContact O-N 3.41Å; L337-C339 PolarHBondContact O-N 3.1Å
338	K	50.3	Low	58.9	Low	169 Å²	169	125.2 Å²	125.2	74%	0.735	66%	0.662	S	S	*	*			trans	-92.6	93.1	170.5	-169.7	-178.9	-178.9	-174.8	0	107.2	R336 S340	R336-K338 PolarHBondContact O-N 3.48Å; R336-K338 VanDerWaalsContact O-N 3.11Å; K338-S340 PolarHBondContact O-N 3.22Å; K338-S340 VanDerWaalsContact O-N 3.16Å
339	C	49.7	Very low	58.7	Low	122 Å²	122	124 Å²	124	82%	0.824	65%	0.647	S	S	*	*			trans	-66.2	113.7	171.8	-66.8	0	0	0	0	109.1	L337	L337-C339 PolarHBondContact O-N 3.1Å
340	S	43.9	Very low	59	Low	65 Å²	65	124.5 Å²	124.5	46%	0.455	65%	0.645	S	S	.	*			trans	-89.6	146.4	159	51.5	0	0	0	0	109.2	K338	K338-S340 PolarHBondContact O-N 3.22Å; K338-S340 VanDerWaalsContact O-N 3.16Å
341	Y	54.4	Low	59.6	Low	207 Å²	207	125.8 Å²	125.8	81%	0.812	64%	0.64	S	S	*	*			trans	-44.9	144.9	179.9	-98.8	-96.5	0	0	0	113.4	G343	Y341-G343 PolarHBondContact O-N 3.08Å
342	P	46.3	Very low	59.7	Low	129 Å²	129	124.6 Å²	124.6	84%	0.838	62%	0.624	S	S	*	*	S	Bend	trans	-60.5	126.4	176.8	26.5	-34.2	0	0	0	109.7
343	G	60.7	Low	59.7	Low	81 Å²	81	126.3 Å²	126.3	84%	0.835	63%	0.625	S	S	*	*			trans	152.7	-3.7	-174.4	0	0	0	0	0	114.6	Y341	Y341-G343 PolarHBondContact O-N 3.08Å
344	R	57.4	Low	59.8	Low	113 Å²	113	125.4 Å²	125.4	43%	0.426	62%	0.616	S	S	.	*	S	Bend	trans	-101.7	143.6	170.7	-92.3	-171.5	-101.3	-168.7	-4.5	111.3	E352	R344-E352 IonicContact NH1-OE1 2.82Å; R344-E352 PolarHBondContact NH1-OE1 2.79Å; R344-E352 IonicContact NH1-OE2 3.52Å
345	S	69	Low	59.6	Low	70 Å²	70	121.1 Å²	121.1	49%	0.49	60%	0.602	S	S	.	*			trans	-75.9	145.8	178.4	60.4	0	0	0	0	111.9	F347 T348 I349	S345-F347 PolarHBondContact O-N 2.9Å; S345-F347 VanDerWaalsContact O-N 3.11Å; S345-T348 PolarHBondContact O-N 3.09Å; S345-T348 PolarHBondContact O-OG1 3.4Å; S345-T348 WeakPolarHBondContact OG-CG2 3.41Å; S345-I349 PolarHBondContact O-N 2.93Å
346	D	64	Low	59.4	Low	119 Å²	119	118.7 Å²	118.7	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-53.9	-33.5	178.9	-71.4	-24.2	0	0	0	113.4	T348 I349 R350	D346-T348 VanDerWaalsContact C-N 3.32Å; D346-T348 PolarHBondContact O-N 3.07Å; D346-I349 PolarHBondContact O-N 2.85Å; D346-R350 PolarHBondContact O-N 3.11Å
347	F	69.9	Low	59.2	Low	144 Å²	144	115 Å²	115	63%	0.632	58%	0.581	S	S	*	*	H	α-helix	trans	-57.4	-44.5	173.8	175.4	-98.2	0	0	0	112.1	S345 I349 R350 K351	S345-F347 PolarHBondContact O-N 2.9Å; S345-F347 VanDerWaalsContact O-N 3.11Å; F347-I349 VanDerWaalsContact C-N 3.31Å; F347-I349 PolarHBondContact O-N 3.03Å; F347-R350 PolarHBondContact O-N 2.89Å; F347-K351 HydrophobicContact CE1-CD 4.06Å; F347-K351 HydrophobicContact CZ-CD 4.14Å; F347-K351 VanDerWaalsContact O-CB 3.29Å; F347-K351 WeakPolarHBondContact O-CB 3.31Å; F347-K351 PolarHBondContact O-N 3.46Å
348	T	67.5	Low	59.6	Low	47 Å²	47	111 Å²	111	29%	0.288	57%	0.57	S	S	.	*	H	α-helix	trans	-66.4	-36.1	178.5	60.2	0	0	0	0	111.7	S345 D346 E352	S345-T348 PolarHBondContact O-N 3.09Å; S345-T348 PolarHBondContact O-OG1 3.4Å; S345-T348 WeakPolarHBondContact OG-CG2 3.41Å; D346-T348 VanDerWaalsContact C-N 3.32Å; D346-T348 PolarHBondContact O-N 3.07Å; T348-E352 WeakPolarHBondContact O-CB 3.47Å; T348-E352 WeakPolarHBondContact O-CG 3.37Å; T348-E352 PolarHBondContact O-N 2.96Å
349	I	61.4	Low	59.6	Low	70 Å²	70	106 Å²	106	36%	0.359	55%	0.551	S	S	.	*	H	α-helix	trans	-66.6	-49.7	177	-61.2	173.3	0	0	0	110.4	S345 D346 F347 K351 E352 Q353	S345-I349 PolarHBondContact O-N 2.93Å; D346-I349 PolarHBondContact O-N 2.85Å; F347-I349 VanDerWaalsContact C-N 3.31Å; F347-I349 PolarHBondContact O-N 3.03Å; I349-K351 PolarHBondContact O-N 2.85Å; I349-E352 PolarHBondContact O-N 2.83Å; I349-Q353 WeakPolarHBondContact O-CG 3.31Å; I349-Q353 PolarHBondContact O-N 2.86Å
350	R	64.2	Low	59.5	Low	168 Å²	168	104.9 Å²	104.9	63%	0.634	53%	0.533	S	S	*	.	H	α-helix	trans	-60.5	-45	177.5	-73.9	-176.3	-175.3	171.6	2.9	112	D346 F347 E352 Q353 E354	D346-R350 PolarHBondContact O-N 3.11Å; F347-R350 PolarHBondContact O-N 2.89Å; R350-E352 VanDerWaalsContact C-N 3.31Å; R350-E352 PolarHBondContact O-N 2.92Å; R350-Q353 CarbonylContact O-C 3.57Å; R350-Q353 WeakPolarHBondContact O-CB 3.11Å; R350-Q353 PolarHBondContact O-N 3.28Å; R350-Q353 VanDerWaalsContact O-N 3.13Å; R350-E354 PolarHBondContact O-N 2.77Å
351	K	70.9	Confident	59.5	Low	109 Å²	109	104.9 Å²	104.9	47%	0.474	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-37.5	177.3	-170.3	172.6	-175.8	172.4	0	112.1	F347 I349 M355	F347-K351 HydrophobicContact CE1-CD 4.06Å; F347-K351 HydrophobicContact CZ-CD 4.14Å; F347-K351 VanDerWaalsContact O-CB 3.29Å; F347-K351 WeakPolarHBondContact O-CB 3.31Å; F347-K351 PolarHBondContact O-N 3.46Å; I349-K351 PolarHBondContact O-N 2.85Å; K351-M355 WeakPolarHBondContact O-CB 3.48Å; K351-M355 VanDerWaalsContact O-CG 3.27Å; K351-M355 WeakPolarHBondContact O-CG 3.38Å; K351-M355 PolarHBondContact O-N 3.36Å
352	E	60.4	Low	59.4	Low	73 Å²	73	104.9 Å²	104.9	34%	0.341	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-40.2	172.5	-80.8	-176.2	-179.9	0	0	112	R344 T348 I349 R350 M355 Y356	R344-E352 IonicContact NH1-OE1 2.82Å; R344-E352 PolarHBondContact NH1-OE1 2.79Å; R344-E352 IonicContact NH1-OE2 3.52Å; T348-E352 WeakPolarHBondContact O-CB 3.47Å; T348-E352 WeakPolarHBondContact O-CG 3.37Å; T348-E352 PolarHBondContact O-N 2.96Å; I349-E352 PolarHBondContact O-N 2.83Å; R350-E352 VanDerWaalsContact C-N 3.31Å; R350-E352 PolarHBondContact O-N 2.92Å; E352-M355 PolarHBondContact O-N 2.77Å; E352-Y356 VanDerWaalsContact O-CB 3.25Å; E352-Y356 WeakPolarHBondContact O-CB 3.4Å; E352-Y356 PolarHBondContact O-N 3.32Å
353	Q	61.2	Low	59.9	Low	113 Å²	113	105.7 Å²	105.7	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-51.1	175.1	-74.3	174.2	-18.6	0	0	111.7	I349 R350 M355 Y356 E357	I349-Q353 WeakPolarHBondContact O-CG 3.31Å; I349-Q353 PolarHBondContact O-N 2.86Å; R350-Q353 CarbonylContact O-C 3.57Å; R350-Q353 WeakPolarHBondContact O-CB 3.11Å; R350-Q353 PolarHBondContact O-N 3.28Å; R350-Q353 VanDerWaalsContact O-N 3.13Å; Q353-M355 VanDerWaalsContact C-N 3.3Å; Q353-M355 PolarHBondContact O-N 3.35Å; Q353-Y356 CarbonylContact O-C 3.6Å; Q353-Y356 WeakPolarHBondContact O-CA 3.48Å; Q353-Y356 WeakPolarHBondContact O-CB 3.31Å; Q353-Y356 PolarHBondContact O-N 2.83Å; Q353-E357 WeakPolarHBondContact O-CB 3.5Å; Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 3.42Å
354	E	66.7	Low	60	Low	132 Å²	132	108.5 Å²	108.5	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-57.5	-42.3	175.3	-77.2	178.7	174.1	0	0	111.5	R350 A358	R350-E354 PolarHBondContact O-N 2.77Å; E354-A358 WeakPolarHBondContact O-CB 3.17Å; E354-A358 PolarHBondContact O-N 3.47Å
355	M	62.5	Low	60.5	Low	67 Å²	67	108.2 Å²	108.2	33%	0.33	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-38.6	174.5	-77.7	-153.9	-52.7	0	0	112.4	K351 E352 Q353 A358 L359	K351-M355 WeakPolarHBondContact O-CB 3.48Å; K351-M355 VanDerWaalsContact O-CG 3.27Å; K351-M355 WeakPolarHBondContact O-CG 3.38Å; K351-M355 PolarHBondContact O-N 3.36Å; E352-M355 PolarHBondContact O-N 2.77Å; Q353-M355 VanDerWaalsContact C-N 3.3Å; Q353-M355 PolarHBondContact O-N 3.35Å; M355-A358 PolarHBondContact O-N 2.86Å; M355-L359 WeakPolarHBondContact O-CB 3.26Å; M355-L359 WeakPolarHBondContact O-CD1 3.45Å; M355-L359 WeakPolarHBondContact O-CG 3.27Å; M355-L359 PolarHBondContact O-N 2.98Å
356	Y	56.3	Low	60.7	Low	130 Å²	130	113 Å²	113	51%	0.51	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-45.5	176.5	-177.4	-87.9	0	0	0	110.8	E352 Q353 L359 H360	E352-Y356 VanDerWaalsContact O-CB 3.25Å; E352-Y356 WeakPolarHBondContact O-CB 3.4Å; E352-Y356 PolarHBondContact O-N 3.32Å; Q353-Y356 CarbonylContact O-C 3.6Å; Q353-Y356 WeakPolarHBondContact O-CA 3.48Å; Q353-Y356 WeakPolarHBondContact O-CB 3.31Å; Q353-Y356 PolarHBondContact O-N 2.83Å; Y356-L359 PolarHBondContact O-N 3.07Å; Y356-H360 AromaticContact CD1-ND1 3.62Å; Y356-H360 AromaticContact CD2-CE1 3.42Å; Y356-H360 VanDerWaalsContact CD2-CE1 3.42Å; Y356-H360 WeakPolarHBondContact CD2-CE1 3.32Å; Y356-H360 AromaticContact CD2-ND1 3.57Å; Y356-H360 HydrophobicContact CE1-CB 4.36Å; Y356-H360 AromaticContact CE1-CE1 3.83Å; Y356-H360 AromaticContact CE1-CG 3.77Å; Y356-H360 AromaticContact CE1-ND1 3.48Å; Y356-H360 WeakPolarHBondContact CE1-ND1 3.45Å; Y356-H360 AromaticContact CE2-CE1 2.99Å; Y356-H360 WeakPolarHBondContact CE2-CE1 3.43Å; Y356-H360 AromaticContact CE2-ND1 3.45Å; Y356-H360 WeakPolarHBondContact CE2-ND1 3.43Å; Y356-H360 AromaticContact CE2-NE2 3.68Å; Y356-H360 AromaticContact CG-ND1 3.65Å; Y356-H360 AromaticContact CZ-CD2 3.9Å; Y356-H360 AromaticContact CZ-CE1 3.21Å; Y356-H360 AromaticContact CZ-CG 3.82Å; Y356-H360 AromaticContact CZ-ND1 3.38Å; Y356-H360 AromaticContact CZ-NE2 3.57Å; Y356-H360 WeakPolarHBondContact O-CB 3.26Å; Y356-H360 PolarHBondContact O-N 3.47Å; Y356-H360 PolarHBondContact O-ND1 2.84Å; Y356-H360 PolarHBondContact OH-NE2 2.89Å
357	E	57.1	Low	61.2	Low	133 Å²	133	108.1 Å²	108.1	62%	0.621	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-45.4	172.9	-75.9	-176.6	175.6	0	0	111.1	Q353 L359 H360 S361	Q353-E357 WeakPolarHBondContact O-CB 3.5Å; Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 3.42Å; E357-L359 PolarHBondContact O-N 3.43Å; E357-H360 PolarHBondContact O-N 2.75Å; E357-S361 WeakPolarHBondContact O-CA 3.21Å; E357-S361 WeakPolarHBondContact O-CB 2.73Å; E357-S361 PolarHBondContact O-N 3.32Å; E357-S361 PolarHBondContact O-OG 3.22Å
358	A	58.7	Low	61.7	Low	70 Å²	70	105.8 Å²	105.8	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-61.7	-31.3	175.1	0	0	0	0	0	112.8	E354 M355 S361	E354-A358 WeakPolarHBondContact O-CB 3.17Å; E354-A358 PolarHBondContact O-N 3.47Å; M355-A358 PolarHBondContact O-N 2.86Å; A358-S361 WeakPolarHBondContact CA-OG 3.44Å; A358-S361 PolarHBondContact O-OG 3.16Å
359	L	49.1	Very low	62.3	Low	65 Å²	65	104.3 Å²	104.3	34%	0.34	50%	0.5	S	S	.	.	H	α-helix	trans	-79.2	-41.9	176.3	-75	166.9	0	0	0	112.4	T60 R63 M355 Y356 E357	T60-L359 HydrophobicContact CG2-CD2 4.02Å; R63-L359 PolarHBondContact NH1-O 3.21Å; R63-L359 PolarHBondContact NH2-O 3.25Å; M355-L359 WeakPolarHBondContact O-CB 3.26Å; M355-L359 WeakPolarHBondContact O-CD1 3.45Å; M355-L359 WeakPolarHBondContact O-CG 3.27Å; M355-L359 PolarHBondContact O-N 2.98Å; Y356-L359 PolarHBondContact O-N 3.07Å; E357-L359 PolarHBondContact O-N 3.43Å
360	H	48.7	Very low	63.2	Low	97 Å²	97	105.2 Å²	105.2	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-87.5	-24.3	-176.8	-69.7	78.6	0	0	0	113	Y356 E357 R362	Y356-H360 AromaticContact CD1-ND1 3.62Å; Y356-H360 AromaticContact CD2-CE1 3.42Å; Y356-H360 VanDerWaalsContact CD2-CE1 3.42Å; Y356-H360 WeakPolarHBondContact CD2-CE1 3.32Å; Y356-H360 AromaticContact CD2-ND1 3.57Å; Y356-H360 HydrophobicContact CE1-CB 4.36Å; Y356-H360 AromaticContact CE1-CE1 3.83Å; Y356-H360 AromaticContact CE1-CG 3.77Å; Y356-H360 AromaticContact CE1-ND1 3.48Å; Y356-H360 WeakPolarHBondContact CE1-ND1 3.45Å; Y356-H360 AromaticContact CE2-CE1 2.99Å; Y356-H360 WeakPolarHBondContact CE2-CE1 3.43Å; Y356-H360 AromaticContact CE2-ND1 3.45Å; Y356-H360 WeakPolarHBondContact CE2-ND1 3.43Å; Y356-H360 AromaticContact CE2-NE2 3.68Å; Y356-H360 AromaticContact CG-ND1 3.65Å; Y356-H360 AromaticContact CZ-CD2 3.9Å; Y356-H360 AromaticContact CZ-CE1 3.21Å; Y356-H360 AromaticContact CZ-CG 3.82Å; Y356-H360 AromaticContact CZ-ND1 3.38Å; Y356-H360 AromaticContact CZ-NE2 3.57Å; Y356-H360 WeakPolarHBondContact O-CB 3.26Å; Y356-H360 PolarHBondContact O-N 3.47Å; Y356-H360 PolarHBondContact O-ND1 2.84Å; Y356-H360 PolarHBondContact OH-NE2 2.89Å; E357-H360 PolarHBondContact O-N 2.75Å; H360-R362 PolarHBondContact O-N 3.05Å
361	S	44	Very low	64	Low	66 Å²	66	97.7 Å²	97.7	46%	0.462	48%	0.477	S	S	.	.	S	Bend	trans	-60	113.8	170.2	60.1	0	0	0	0	107.4	E357 A358	E357-S361 WeakPolarHBondContact O-CA 3.21Å; E357-S361 WeakPolarHBondContact O-CB 2.73Å; E357-S361 PolarHBondContact O-N 3.32Å; E357-S361 PolarHBondContact O-OG 3.22Å; A358-S361 WeakPolarHBondContact CA-OG 3.44Å; A358-S361 PolarHBondContact O-OG 3.16Å
362	R	51.8	Low	64.3	Low	206 Å²	206	93.7 Å²	93.7	78%	0.777	47%	0.467	S	S	*	.			trans	70.7	92	176.2	-48	178.2	-175.5	174.1	1.4	111.7	H360 I364	H360-R362 PolarHBondContact O-N 3.05Å; R362-I364 HydrophobicContact CB-CG1 3.92Å; R362-I364 PolarHBondContact O-N 3.01Å
363	N	55.9	Low	64.9	Low	147 Å²	147	98.9 Å²	98.9	79%	0.786	48%	0.483	S	S	*	.			trans	-54	83.3	137.3	-78.3	-40	0	0	0	107.3	P365	N363-P365 VanDerWaalsContact O-CD 3.29Å; N363-P365 WeakPolarHBondContact O-CD 3.19Å
364	I	62.5	Low	65.4	Low	139 Å²	139	98.3 Å²	98.3	71%	0.713	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-57.4	116.6	178	-62.9	172.1	0	0	0	105.4	R362 R366	R362-I364 HydrophobicContact CB-CG1 3.92Å; R362-I364 PolarHBondContact O-N 3.01Å; I364-R366 PolarHBondContact O-N 3.46Å
365	P	68.3	Low	65.7	Low	107 Å²	107	92.2 Å²	92.2	70%	0.695	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.2	139.3	179.5	24.9	-32.7	0	0	0	107.8	N363	N363-P365 VanDerWaalsContact O-CD 3.29Å; N363-P365 WeakPolarHBondContact O-CD 3.19Å
366	R	72.8	Confident	65.9	Low	170 Å²	170	92.3 Å²	92.3	64%	0.642	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-59.3	137.7	175.6	-66.3	-179.1	-177.2	176.6	2.8	108.5	Y68 I364 K368	Y68-R366 HydrophobicContact CE2-CB 4.43Å; I364-R366 PolarHBondContact O-N 3.46Å; R366-K368 PolarHBondContact O-N 3.31Å
367	P	75.7	Confident	66.5	Low	17 Å²	17	88.9 Å²	88.9	11%	0.11	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-58.1	131.3	175.5	24.8	-33.5	0	0	0	109.2	Y68 P77 P369	Y68-P367 HydrophobicContact CD1-CG 3.41Å; Y68-P367 VanDerWaalsContact CD1-CG 3.41Å; Y68-P367 HydrophobicContact CD2-CG 4.22Å; Y68-P367 HydrophobicContact CE1-CG 3.73Å; Y68-P367 HydrophobicContact CG-CG 3.67Å; P77-P367 HydrophobicContact CB-CB 3.84Å; P77-P367 HydrophobicContact CB-CG 3.72Å; P77-P367 HydrophobicContact CG-CB 4.17Å; P77-P367 HydrophobicContact CG-CG 4.2Å; P367-P369 WeakPolarHBondContact O-CD 3.09Å
368	K	79.3	Confident	67.1	Low	95 Å²	95	88.3 Å²	88.3	41%	0.413	46%	0.458	S	S	.	.			trans	-113.7	86.9	177	-66.4	-177.1	-171.8	175	0	107.3	G208 Q209 R366 I370	G208-K368 PolarHBondContact O-NZ 3.05Å; Q209-K368 WeakPolarHBondContact O-CE 3.34Å; Q209-K368 PolarHBondContact O-NZ 3.29Å; R366-K368 PolarHBondContact O-N 3.31Å; K368-I370 WeakPolarHBondContact O-CG1 3.24Å; K368-I370 PolarHBondContact O-N 3.1Å
369	P	81.1	Confident	68	Low	17 Å²	17	86.8 Å²	86.8	11%	0.11	44%	0.44	C	S	.	.			trans	-63.6	134.9	-179.6	26.9	-35.3	0	0	0	110.6	H78 Y80 M114 P367	H78-P369 VanDerWaalsContact O-CA 3.27Å; H78-P369 WeakPolarHBondContact O-CA 3.48Å; Y80-P369 HydrophobicContact CD2-CB 4.16Å; Y80-P369 HydrophobicContact CD2-CG 4.37Å; M114-P369 HydrophobicContact CE-CB 3.39Å; M114-P369 HydrophobicContact CE-CG 3.41Å; M114-P369 VanDerWaalsContact CE-CG 3.41Å; P367-P369 WeakPolarHBondContact O-CD 3.09Å
370	I	79.6	Confident	69.5	Low	88 Å²	88	93.1 Å²	93.1	45%	0.451	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-111.9	124.9	-176.3	-57.5	173.9	0	0	0	108.9	Y80 K368 G372	Y80-I370 WeakPolarHBondContact CB-O 3.45Å; K368-I370 WeakPolarHBondContact O-CG1 3.24Å; K368-I370 PolarHBondContact O-N 3.1Å; I370-G372 PolarHBondContact O-N 3.45Å
371	P	81.7	Confident	70.9	Confident	10 Å²	10	91.1 Å²	91.1	7%	0.065	46%	0.457	C	S	.	.			trans	-67.4	112.6	170	27.5	-31.8	0	0	0	109.5	Y80 V154 R156	Y80-P371 HydrophobicContact CD1-CB 3.59Å; Y80-P371 HydrophobicContact CE1-CB 3.99Å; Y80-P371 HydrophobicContact CG-CB 4.03Å; V154-P371 HydrophobicContact CG1-CB 3.7Å; V154-P371 HydrophobicContact CG1-CG 4.33Å; R156-P371 HydrophobicContact CB-CB 4.49Å; R156-P371 HydrophobicContact CB-CG 4.27Å
372	G	75.9	Confident	72.6	Confident	26 Å²	26	99.4 Å²	99.4	27%	0.268	48%	0.478	S	S	.	.			trans	-81.9	-177.3	172.8	0	0	0	0	0	112.8	V154 I370 Y374 N375	V154-G372 WeakPolarHBondContact CG2-O 3.29Å; I370-G372 PolarHBondContact O-N 3.45Å; G372-Y374 PolarHBondContact O-N 2.98Å; G372-N375 WeakPolarHBondContact O-CA 3.12Å; G372-N375 PolarHBondContact O-N 2.84Å
373	R	73.8	Confident	73.7	Confident	182 Å²	182	100 Å²	100	69%	0.687	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-56.8	132.8	170.9	-166.5	-176.8	176	-179.1	-3.4	109.4	E153 N375 A376	E153-R373 IonicContact OE2-NE 2.79Å; R373-N375 PolarHBondContact O-N 3.44Å; R373-N375 VanDerWaalsContact O-N 3.09Å; R373-A376 PolarHBondContact O-N 3.21Å; R373-A376 VanDerWaalsContact O-N 3.08Å
374	Y	71.1	Confident	74.3	Confident	101 Å²	101	95.7 Å²	95.7	40%	0.396	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	50.7	29	-171.3	-53.9	-75.2	0	0	0	114.3	E153 G372 A376	E153-Y374 HydrophobicContact CB-CD1 3.92Å; E153-Y374 HydrophobicContact CB-CE1 3.88Å; E153-Y374 HydrophobicContact CG-CD1 4.38Å; E153-Y374 HydrophobicContact CG-CE1 3.82Å; E153-Y374 WeakPolarHBondContact OE1-CE1 3.46Å; E153-Y374 PolarHBondContact OE1-OH 2.58Å; E153-Y374 WeakPolarHBondContact OE2-CE1 2.97Å; E153-Y374 PolarHBondContact OE2-OH 2.75Å; G372-Y374 PolarHBondContact O-N 2.98Å; Y374-A376 PolarHBondContact O-N 3.06Å; Y374-A376 VanDerWaalsContact O-N 3.11Å
375	N	73.9	Confident	74.6	Confident	3 Å²	3	99.4 Å²	99.4	2%	0.016	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	60.7	13.8	-176.5	-48.4	-47.1	0	0	0	115.3	V82 K155 G372 R373 L377	V82-N375 HydrophobicContact CG2-CB 4.2Å; V82-N375 WeakPolarHBondContact CG2-ND2 3.4Å; K155-N375 PolarHBondContact N-OD1 3.05Å; K155-N375 PolarHBondContact O-OD1 3.46Å; G372-N375 WeakPolarHBondContact O-CA 3.12Å; G372-N375 PolarHBondContact O-N 2.84Å; R373-N375 PolarHBondContact O-N 3.44Å; R373-N375 VanDerWaalsContact O-N 3.09Å; N375-L377 PolarHBondContact O-N 2.71Å
376	A	66.6	Low	74.3	Confident	69 Å²	69	101.5 Å²	101.5	57%	0.57	45%	0.452	S	S	*	.	S	Bend	trans	60	-19.2	-177.6	0	0	0	0	0	117.1	R373 Y374	R373-A376 PolarHBondContact O-N 3.21Å; R373-A376 VanDerWaalsContact O-N 3.08Å; Y374-A376 PolarHBondContact O-N 3.06Å; Y374-A376 VanDerWaalsContact O-N 3.11Å
377	L	69.1	Low	73.5	Confident	58 Å²	58	97.2 Å²	97.2	30%	0.304	45%	0.448	S	S	.	.	S	Bend	trans	-122.5	147.6	173.5	-72.3	171.9	0	0	0	109.8	Q79 T81 N375 D379	Q79-L377 HydrophobicContact CG-CD1 3.99Å; Q79-L377 HydrophobicContact CG-CG 4.37Å; Q79-L377 VanDerWaalsContact NE2-CD2 3.31Å; T81-L377 WeakPolarHBondContact OG1-CD1 3.39Å; N375-L377 PolarHBondContact O-N 2.71Å; L377-D379 PolarHBondContact O-N 3.35Å
378	P	69.2	Low	72.4	Confident	122 Å²	122	98.8 Å²	98.8	79%	0.792	46%	0.459	S	S	*	.			trans	-58.5	116.1	169.4	25.2	-32.1	0	0	0	109.1
379	D	77.2	Confident	71	Confident	37 Å²	37	105.1 Å²	105.1	20%	0.198	48%	0.48	C	S	.	.			trans	-88.1	146	173.9	64.1	-39.8	0	0	0	110.6	K155 L377 M381	K155-D379 IonicContact NZ-OD2 3.72Å; K155-D379 PolarHBondContact NZ-OD2 3.17Å; L377-D379 PolarHBondContact O-N 3.35Å; D379-M381 PolarHBondContact O-N 2.82Å
380	K	80.5	Confident	69.6	Low	198 Å²	198	109 Å²	109	86%	0.861	51%	0.508	S	S	*	.	S	Bend	trans	-75	-5.7	176.4	-66.6	-178	-178.9	-175.4	0	113.3	D83	D83-K380 PolarHBondContact OD1-N 3.01Å; D83-K380 VanDerWaalsContact OD1-N 3.16Å; D83-K380 PolarHBondContact OD2-N 3.16Å
381	M	79.5	Confident	68	Low	55 Å²	55	108.2 Å²	108.2	27%	0.271	51%	0.51	S	S	.	.	S	Bend	trans	-83.4	144.5	-175	-63	-166.3	-178.5	0	0	111.9	V82 L148 K155 W157 D379 R383	V82-M381 HydrophobicContact CG1-CE 3.69Å; V82-M381 HydrophobicContact CG1-SD 3.48Å; V82-M381 WeakPolarHBondContact CG1-SD 3.4Å; L148-M381 HydrophobicContact CD1-SD 4.45Å; L148-M381 HydrophobicContact CD2-SD 3.72Å; K155-M381 PolarHBondContact NZ-O 3.05Å; W157-M381 HydrophobicContact CZ2-CE 3.98Å; D379-M381 PolarHBondContact O-N 2.82Å; M381-R383 PolarHBondContact O-N 2.82Å
382	R	78.3	Confident	66.3	Low	241 Å²	241	113 Å²	113	91%	0.909	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-52.1	134.2	174	-66.7	-174.7	177.2	-167.1	-1.5	110.7	K155	K155-R382 WeakPolarHBondContact CE-O 3.5Å; K155-R382 PolarHBondContact NZ-O 3.16Å
383	R	74.8	Confident	64.5	Low	219 Å²	219	125.1 Å²	125.1	83%	0.826	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-63.2	138.1	175.5	-68.9	-175.2	-178.7	167.2	0.5	109.3	M381	M381-R383 PolarHBondContact O-N 2.82Å
384	Y	70.3	Confident	64.1	Low	56 Å²	56	122.3 Å²	122.3	22%	0.22	57%	0.571	C	S	.	*	P	Polyproline II helix	trans	-102.5	127.4	174	174.4	-105.2	0	0	0	107.3	L132 L134 A150 W386	L132-Y384 HydrophobicContact CB-CE1 4.45Å; L132-Y384 HydrophobicContact CD2-CE1 4.41Å; L132-Y384 HydrophobicContact CD2-CE2 3.71Å; L132-Y384 VanDerWaalsContact CD2-CZ 3.48Å; L132-Y384 WeakPolarHBondContact CD2-OH 3.04Å; L134-Y384 HydrophobicContact CD1-CG 4.48Å; L134-Y384 HydrophobicContact CD2-CD2 3.61Å; L134-Y384 HydrophobicContact CD2-CE2 3.8Å; L134-Y384 HydrophobicContact CD2-CG 4.01Å; A150-Y384 HydrophobicContact CB-CD1 3.55Å; A150-Y384 HydrophobicContact CB-CE1 4.04Å; A150-Y384 HydrophobicContact CB-CG 4.2Å; Y384-W386 AromaticContact CE1-CD1 3.71Å; Y384-W386 AromaticContact CZ-CD1 3.79Å
385	R	67.1	Low	63.7	Low	217 Å²	217	123.4 Å²	123.4	82%	0.819	58%	0.58	S	S	*	*			trans	-111.9	132.1	167.5	-85.8	-174	179	168	-0.5	107.3	C387	R385-C387 VanDerWaalsContact C-N 3.34Å; R385-C387 PolarHBondContact O-N 3.42Å
386	W	63.2	Low	63.1	Low	151 Å²	151	130.1 Å²	130.1	57%	0.572	61%	0.612	S	S	*	*			trans	-71.3	96	166.8	-137.6	72.6	0	0	0	106.5	Y384 S388	Y384-W386 AromaticContact CE1-CD1 3.71Å; Y384-W386 AromaticContact CZ-CD1 3.79Å; W386-S388 PolarHBondContact O-N 3.19Å
387	C	56.2	Low	62.9	Low	80 Å²	80	133.6 Å²	133.6	54%	0.541	61%	0.614	S	S	.	*			trans	-85.6	105.1	169.8	-60.5	0	0	0	0	106.3	R385 V392	R385-C387 VanDerWaalsContact C-N 3.34Å; R385-C387 PolarHBondContact O-N 3.42Å; C387-V392 HydrophobicContact CB-CG2 4.06Å
388	S	51.2	Low	62.5	Low	49 Å²	49	138.4 Å²	138.4	34%	0.343	63%	0.633	S	S	.	*			trans	-60.7	145.3	161.5	54.2	0	0	0	0	107.6	W386 S390 S391	W386-S388 PolarHBondContact O-N 3.19Å; S388-S390 WeakPolarHBondContact CB-OG 3.47Å; S388-S390 PolarHBondContact O-N 2.92Å; S388-S390 PolarHBondContact OG-OG 3.41Å; S388-S391 PolarHBondContact O-N 2.97Å; S388-S391 PolarHBondContact O-OG 3.36Å
389	W	50.5	Low	62.1	Low	228 Å²	228	139.5 Å²	139.5	86%	0.864	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-55.4	-20.8	176	-116.9	77.9	0	0	0	112.8	S391	W389-S391 VanDerWaalsContact C-N 3.29Å; W389-S391 PolarHBondContact O-N 3.29Å
390	S	51.8	Low	61	Low	99 Å²	99	146.8 Å²	146.8	69%	0.692	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-68	-18.8	173.7	56.1	0	0	0	0	115.1	S388	S388-S390 WeakPolarHBondContact CB-OG 3.47Å; S388-S390 PolarHBondContact O-N 2.92Å; S388-S390 PolarHBondContact OG-OG 3.41Å
391	S	45.6	Very low	59.5	Low	72 Å²	72	142.8 Å²	142.8	50%	0.503	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-99.8	3.7	-178.1	80.9	0	0	0	0	114.3	S388 W389	S388-S391 PolarHBondContact O-N 2.97Å; S388-S391 PolarHBondContact O-OG 3.36Å; W389-S391 VanDerWaalsContact C-N 3.29Å; W389-S391 PolarHBondContact O-N 3.29Å
392	V	46.3	Very low	57.8	Low	110 Å²	110	150.2 Å²	150.2	67%	0.667	67%	0.668	S	S	*	*			trans	-111.6	7.1	-176	-171	0	0	0	0	111.8	C387	C387-V392 HydrophobicContact CB-CG2 4.06Å
393	R	39	Very low	56	Low	280 Å²	280	141.9 Å²	141.9	100%	1.057	65%	0.646	S	S	*	*			trans	-93.2	0	158.1	-73.3	-173.9	-176.1	179.6	1	108.5

Retrieved 393 of 393 residues in 981.4 ms (Link to these results)

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