Z4YI04_DANRE Loading...

DNA damage-binding protein 2

Protein, which is both involved in DNA repair and protein ubiquitination, as part of the UV-DDB complex and DCX (DDB1-CUL4-X-box) complexes, respectively. Core component of the UV-DDB complex (UV-damaged DNA-binding protein complex), a complex that recognizes UV-induced DNA damage and recruit proteins of the nucleotide excision repair pathway (the NER pathway) to initiate DNA repair. The UV-DDB complex preferentially binds to cyclobutane pyrimidine dimers (CPD), 6-4 photoproducts (6-4 PP), apurinic sites and short mismatches. Also functions as the substrate recognition module for the DCX (DDB2-CUL4-X-box) E3 ubiquitin-protein ligase complex DDB2-CUL4-ROC1 (also known as CUL4-DDB-ROC1 and CUL4-DDB-RBX1). The DDB2-CUL4-ROC1 complex may ubiquitinate histone H2A, histone H3 and histone H4 at sites of UV-induced DNA damage. The ubiquitination of histones may facilitate their removal from the nucleosome and promote subsequent DNA repair.

AlphaFold DB , UniProt , Accession Z4YI04, Species DANRE (Danio rerio, Zebrafish), Gene ddb2, Length 497 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	31.4	Very low	240 Å²	240	149.4 Å²	149.4	100%	1.182	84%	0.839	S	S	*	*				0	112.3	0	-55.3	172.8	-170.6	0	0	105.5
2	A	33.8	Very low	31.2	Very low	95 Å²	95	146.1 Å²	146.1	79%	0.785	85%	0.845	S	S	*	*				63.3	116.8	69.4	0	0	0	0	0	111.1
3	R	34.2	Very low	30.9	Very low	254 Å²	254	143.2 Å²	143.2	96%	0.958	84%	0.838	S	S	*	*			cis	-140.7	169.1	-1.1	-62.4	173	172.9	157.5	-5	107.5
4	G	31	Very low	30.8	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	84%	0.843	S	S	*	*			cis	-173.6	-170.8	4.7	0	0	0	0	0	111.9
5	R	32	Very low	30.4	Very low	255 Å²	255	149.5 Å²	149.5	96%	0.962	84%	0.841	S	S	*	*			trans	-72.6	167	-178.9	-71.9	175.3	175.4	161.4	-3.6	111.9
6	A	31.7	Very low	30.1	Very low	94 Å²	94	147.3 Å²	147.3	78%	0.777	83%	0.832	S	S	*	*			cis	-156	161.6	31.3	0	0	0	0	0	116.8
7	Q	30.4	Very low	29.9	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	83%	0.829	S	S	*	*			trans	-80.6	178.2	153.9	-59.9	156.4	-76.7	0	0	107.9
8	T	30.8	Very low	29.6	Very low	106 Å²	106	148.6 Å²	148.6	65%	0.65	83%	0.83	S	S	*	*			cis	-169	150.1	42.8	39.9	0	0	0	0	110.4
9	D	27.4	Very low	29.5	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	82%	0.823	S	S	*	*			trans	47.4	175.1	130.4	-46.6	-22.6	0	0	0	122.5
10	S	28.4	Very low	29.3	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	82%	0.819	S	S	*	*				-162.7	165.9	-59.5	70.8	0	0	0	0	109.8
11	A	27.6	Very low	29.1	Very low	99 Å²	99	142.8 Å²	142.8	82%	0.818	80%	0.803	S	S	*	*			trans	53	123.9	155.2	0	0	0	0	0	121.7
12	A	28.6	Very low	28.6	Very low	110 Å²	110	140.2 Å²	140.2	91%	0.909	79%	0.785	S	S	*	*			trans	-156.2	151.6	137.7	0	0	0	0	0	110.4
13	S	27.8	Very low	28.2	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	79%	0.787	S	S	*	*			trans	-141.4	151.1	178.8	67.1	0	0	0	0	112
14	K	29.1	Very low	27.8	Very low	209 Å²	209	142 Å²	142	91%	0.909	78%	0.777	S	S	*	*			trans	175.7	173	138.2	-97.1	159.1	-174.4	177	0	113
15	Q	25.8	Very low	27.8	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	77%	0.774	S	S	*	*			trans	-115.4	171.2	-168.3	-63.2	172.2	-29.8	0	0	113.1
16	T	25	Very low	27.5	Very low	114 Å²	114	136.6 Å²	136.6	70%	0.699	76%	0.755	S	S	*	*			trans	112.2	125.4	143	68	0	0	0	0	120.8
17	K	26.2	Very low	27.1	Very low	182 Å²	182	139.6 Å²	139.6	79%	0.791	75%	0.753	S	S	*	*			trans	54.8	125.3	141.4	-60.1	171.7	-178.6	179	0	118.4
18	T	25.5	Very low	26.8	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	75%	0.753	S	S	*	*				178.3	178.1	87.8	33.4	0	0	0	0	110.4
19	V	27.9	Very low	26.7	Very low	116 Å²	116	141 Å²	141	70%	0.703	76%	0.761	S	S	*	*			cis	-168.6	159.3	-41.6	142.9	0	0	0	0	107.4
20	N	25.6	Very low	26.6	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	76%	0.761	S	S	*	*			trans	100.2	155.7	170.2	-73.3	-52.2	0	0	0	119.4
21	S	24.7	Very low	26.7	Very low	67 Å²	67	143.6 Å²	143.6	47%	0.469	77%	0.768	S	S	.	*				-177.5	158.1	-57.3	54.1	0	0	0	0	112
22	K	26.9	Very low	26.8	Very low	186 Å²	186	144.6 Å²	144.6	81%	0.809	77%	0.766	S	S	*	*			trans	73.9	158.8	177.4	-45.5	122.8	-169.3	164.8	0	113.8
23	K	26	Very low	26.5	Very low	190 Å²	190	143.9 Å²	143.9	83%	0.826	75%	0.754	S	S	*	*			cis	-146.3	-172.7	-2.8	-147.5	-156.8	169	-172.7	0	111
24	R	24.7	Very low	26.3	Very low	198 Å²	198	144 Å²	144	75%	0.747	75%	0.75	S	S	*	*			trans	-143.6	163.9	166.9	-95.5	-168.1	-174.9	-172.8	4.4	108
25	P	31.2	Very low	26.2	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	74%	0.744	S	S	*	*				-110.7	171.4	59.8	3.4	21.3	0	0	0	112.8
26	N	25.4	Very low	26.3	Very low	106 Å²	106	143.8 Å²	143.8	57%	0.567	75%	0.747	S	S	*	*				59.6	139.7	59.3	-64.5	41.3	0	0	0	112.3
27	E	25	Very low	26.3	Very low	156 Å²	156	146.8 Å²	146.8	73%	0.729	76%	0.758	S	S	*	*			cis	-157.3	-177	18.2	-144.9	139.1	-124.3	0	0	113.9
28	E	23.9	Very low	26.2	Very low	180 Å²	180	147.9 Å²	147.9	84%	0.841	76%	0.763	S	S	*	*			trans	65.1	134.8	160.3	-62.7	-168.9	150.3	0	0	123.5
29	T	29.1	Very low	26.2	Very low	134 Å²	134	146.4 Å²	146.4	82%	0.822	76%	0.764	S	S	*	*			trans	-101.6	151.8	157.4	50.6	0	0	0	0	109.7
30	P	25.3	Very low	26.1	Very low	117 Å²	117	150.4 Å²	150.4	76%	0.76	77%	0.772	S	S	*	*				-146.1	155.9	122	36	-22	0	0	0	115.4
31	Q	29.5	Very low	26.1	Very low	185 Å²	185	153.3 Å²	153.3	86%	0.864	78%	0.781	S	S	*	*			trans	-91.5	151.4	144.9	-66	-171.8	0.2	0	0	107.9
32	P	30.7	Very low	26.1	Very low	119 Å²	119	157.8 Å²	157.8	77%	0.773	79%	0.794	S	S	*	*				-146.4	161	103.2	36	-19.8	0	0	0	116.9
33	S	21.4	Very low	26	Very low	95 Å²	95	158.3 Å²	158.3	66%	0.664	80%	0.799	S	S	*	*			trans	-42.6	150.2	168.3	53.3	0	0	0	0	116.6
34	T	24.1	Very low	26	Very low	110 Å²	110	157.8 Å²	157.8	68%	0.675	80%	0.797	S	S	*	*				173.9	159.8	82.3	36.6	0	0	0	0	114.3
35	K	26.1	Very low	26	Very low	177 Å²	177	153.5 Å²	153.5	77%	0.77	80%	0.797	S	S	*	*			trans	62.2	106.8	145	-70.7	162.3	-172.4	170.9	0	121.3
36	K	28.1	Very low	25.8	Very low	201 Å²	201	157.8 Å²	157.8	87%	0.874	81%	0.805	S	S	*	*				54.4	118.5	128.6	-61.8	-180	179.4	178.8	0	119.6
37	L	25.3	Very low	25.8	Very low	178 Å²	178	161 Å²	161	93%	0.932	82%	0.817	S	S	*	*				-148.6	149.9	118.1	-112.7	163.4	0	0	0	110.5
38	K	24.8	Very low	25.8	Very low	205 Å²	205	162.1 Å²	162.1	89%	0.891	82%	0.819	S	S	*	*			trans	-99.9	130.2	178.2	-70.9	-179.8	178.4	178.3	0	109.4
39	A	25	Very low	25.8	Very low	104 Å²	104	161.8 Å²	161.8	86%	0.86	82%	0.817	S	S	*	*			trans	-136.4	135.3	156.8	0	0	0	0	0	109
40	K	26.1	Very low	25.6	Very low	201 Å²	201	162.3 Å²	162.3	87%	0.874	81%	0.81	S	S	*	*			trans	-86.5	134.8	171.4	-66.7	174.3	179.1	174.1	0	108.5
41	Q	24.9	Very low	25.6	Very low	201 Å²	201	162.1 Å²	162.1	94%	0.939	81%	0.807	S	S	*	*			trans	-147.5	153.2	137.4	-113.8	167.5	12.9	0	0	109.8
42	Q	24.1	Very low	25.5	Very low	160 Å²	160	163.7 Å²	163.7	75%	0.748	81%	0.807	S	S	*	*			trans	-103.3	135.2	-165.2	-62.5	171.1	-18.4	0	0	110.4
43	H	26.3	Very low	25.4	Very low	197 Å²	197	165.9 Å²	165.9	91%	0.912	81%	0.81	S	S	*	*			trans	-133.8	131.7	148.7	-105.8	-91.4	0	0	0	109.8
44	K	25.1	Very low	25.9	Very low	180 Å²	180	169 Å²	169	78%	0.783	82%	0.815	S	S	*	*			trans	-91.2	101.7	-172.3	-68.5	172.5	178.6	170.2	0	110.7	K46	K44-K46 PolarHBondContact O-N 3.05Å
45	S	24.7	Very low	26.2	Very low	108 Å²	108	168.9 Å²	168.9	76%	0.755	82%	0.824	S	S	*	*			trans	-79	103.2	155.9	40.9	0	0	0	0	108.8	Q47	S45-Q47 VanDerWaalsContact C-N 3.32Å; S45-Q47 PolarHBondContact O-N 3.4Å
46	K	26.4	Very low	26.3	Very low	199 Å²	199	163.2 Å²	163.2	87%	0.865	81%	0.807	S	S	*	*			trans	-72.7	86.8	170.2	-77.8	-173.5	175.8	-177.8	0	109.6	K44 K48	K44-K46 PolarHBondContact O-N 3.05Å; K46-K48 PolarHBondContact O-N 3.02Å
47	Q	25.5	Very low	26.7	Very low	175 Å²	175	160.4 Å²	160.4	82%	0.818	81%	0.806	S	S	*	*			trans	-64.6	128.2	153.3	-76.2	177.7	-44.9	0	0	107.6	S45 E49	S45-Q47 VanDerWaalsContact C-N 3.32Å; S45-Q47 PolarHBondContact O-N 3.4Å; Q47-E49 PolarHBondContact O-N 2.86Å
48	K	26.3	Very low	26.7	Very low	178 Å²	178	159.9 Å²	159.9	77%	0.774	80%	0.796	S	S	*	*			trans	-75.7	100.9	161.6	-81.3	-176.1	169.8	-171.2	0	106.7	K46 E50	K46-K48 PolarHBondContact O-N 3.02Å; K48-E50 HydrophobicContact CB-CG 4.43Å; K48-E50 PolarHBondContact O-N 2.84Å; K48-E50 VanDerWaalsContact O-N 3.14Å
49	E	22.9	Very low	27	Very low	173 Å²	173	161 Å²	161	81%	0.808	80%	0.796	S	S	*	*			trans	-68.4	103	154.8	-69	-179.8	125.3	0	0	106.5	Q47 T51	Q47-E49 PolarHBondContact O-N 2.86Å; E49-T51 PolarHBondContact O-N 3.14Å; E49-T51 PolarHBondContact O-OG1 3.25Å
50	E	26	Very low	27.2	Very low	145 Å²	145	162 Å²	162	68%	0.678	79%	0.791	S	S	*	*			trans	-75.2	82.9	167	-70.4	-172.9	167	0	0	107.2	K48 Y52	K48-E50 HydrophobicContact CB-CG 4.43Å; K48-E50 PolarHBondContact O-N 2.84Å; K48-E50 VanDerWaalsContact O-N 3.14Å; E50-Y52 PolarHBondContact O-N 3.48Å
51	T	24.2	Very low	27.3	Very low	113 Å²	113	155.3 Å²	155.3	69%	0.693	78%	0.779	S	S	*	*			trans	-58.1	105.2	179.1	-43.6	0	0	0	0	108.5	E49 I53	E49-T51 PolarHBondContact O-N 3.14Å; E49-T51 PolarHBondContact O-OG1 3.25Å; T51-I53 VanDerWaalsContact C-N 3.33Å; T51-I53 PolarHBondContact O-N 2.97Å
52	Y	26.5	Very low	27.7	Very low	219 Å²	219	148.9 Å²	148.9	86%	0.859	77%	0.767	S	S	*	*			trans	-58.7	95.8	175.3	-78.3	-88.3	0	0	0	109.5	E50 Q54	E50-Y52 PolarHBondContact O-N 3.48Å; Y52-Q54 PolarHBondContact O-N 2.73Å
53	I	29.9	Very low	28.1	Very low	164 Å²	164	150.1 Å²	150.1	84%	0.841	77%	0.773	S	S	*	*			trans	-65.7	103.5	170.8	-62.1	-179.5	0	0	0	105.7	T51 A55	T51-I53 VanDerWaalsContact C-N 3.33Å; T51-I53 PolarHBondContact O-N 2.97Å; I53-A55 PolarHBondContact O-N 2.93Å
54	Q	32.4	Very low	28.6	Very low	162 Å²	162	150.4 Å²	150.4	76%	0.757	77%	0.771	S	S	*	*			trans	-50.4	136.6	174.5	-64.3	175.2	-51.2	0	0	109	Y52 S56	Y52-Q54 PolarHBondContact O-N 2.73Å; Q54-S56 PolarHBondContact O-N 2.69Å
55	A	29.3	Very low	29.6	Very low	107 Å²	107	147.5 Å²	147.5	88%	0.884	76%	0.758	S	S	*	*			trans	-64.9	72.7	148.6	0	0	0	0	0	107.5	I53 V57	I53-A55 PolarHBondContact O-N 2.93Å; A55-V57 PolarHBondContact O-N 3.02Å
56	S	28.1	Very low	30.4	Very low	57 Å²	57	149.5 Å²	149.5	40%	0.399	77%	0.766	S	S	.	*			trans	-54.9	134	-178.5	61.2	0	0	0	0	107.9	Q54 K58	Q54-S56 PolarHBondContact O-N 2.69Å; S56-K58 PolarHBondContact O-N 3.26Å
57	V	37.7	Very low	31.3	Very low	143 Å²	143	142.2 Å²	142.2	87%	0.867	75%	0.747	S	S	*	*			trans	-73.1	64	175.1	-170.9	0	0	0	0	109.3	A55 W59	A55-V57 PolarHBondContact O-N 3.02Å; V57-W59 VanDerWaalsContact C-N 3.3Å; V57-W59 PolarHBondContact O-N 3.36Å
58	K	24.2	Very low	32.5	Very low	166 Å²	166	143 Å²	143	72%	0.722	75%	0.751	S	S	*	*			trans	-70	95.4	163.5	-80	177.2	-179.4	176.1	0	106.2	S56 T60	S56-K58 PolarHBondContact O-N 3.26Å; K58-T60 PolarHBondContact O-N 3.13Å
59	W	31.3	Very low	34.5	Very low	230 Å²	230	136.7 Å²	136.7	87%	0.871	73%	0.727	S	S	*	*			trans	-54.4	97.2	151.9	-129.7	74.6	0	0	0	106.6	V57 G61	V57-W59 VanDerWaalsContact C-N 3.3Å; V57-W59 PolarHBondContact O-N 3.36Å; W59-G61 VanDerWaalsContact C-N 3.25Å; W59-G61 PolarHBondContact O-N 3.13Å
60	T	29.7	Very low	37.5	Very low	123 Å²	123	131.7 Å²	131.7	76%	0.755	71%	0.711	S	S	*	*			trans	-69.9	90.2	176.9	36.6	0	0	0	0	107.2	K58 G62	K58-T60 PolarHBondContact O-N 3.13Å; T60-G62 PolarHBondContact O-N 2.82Å; T60-G62 VanDerWaalsContact O-N 3.14Å
61	G	27.8	Very low	40.6	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	70%	0.696	S	S	*	*			trans	-44.2	121.4	-177.9	0	0	0	0	0	110	W59 Q63	W59-G61 VanDerWaalsContact C-N 3.25Å; W59-G61 PolarHBondContact O-N 3.13Å; G61-Q63 PolarHBondContact O-N 3.14Å
62	G	32.6	Very low	43.7	Very low	66 Å²	66	128.8 Å²	128.8	68%	0.68	69%	0.694	S	S	*	*			trans	-54.1	113.2	-153	0	0	0	0	0	113.5	T60 K64	T60-G62 PolarHBondContact O-N 2.82Å; T60-G62 VanDerWaalsContact O-N 3.14Å; G62-K64 PolarHBondContact O-N 3.46Å
63	Q	32.5	Very low	46.7	Very low	187 Å²	187	121.6 Å²	121.6	87%	0.874	67%	0.669	S	S	*	*			trans	-54.5	114.6	158.6	-77	-171.4	-19.8	0	0	107.2	G61 K65	G61-Q63 PolarHBondContact O-N 3.14Å; Q63-K65 VanDerWaalsContact C-N 3.3Å; Q63-K65 PolarHBondContact O-N 2.93Å
64	K	37	Very low	49.5	Very low	202 Å²	202	115.6 Å²	115.6	88%	0.878	64%	0.636	S	S	*	*			trans	-63.5	93.6	172.2	-75.7	-176.9	175.8	178.7	0	108	G62 V66	G62-K64 PolarHBondContact O-N 3.46Å; K64-V66 PolarHBondContact O-N 2.78Å; K64-V66 VanDerWaalsContact O-N 3.13Å
65	K	46	Very low	52.2	Low	119 Å²	119	112.2 Å²	112.2	52%	0.517	62%	0.622	S	S	.	*			trans	-51.6	121.5	170.2	-75.8	-171.1	177.6	-178.2	0	108	Q63 G67 E94	Q63-K65 VanDerWaalsContact C-N 3.3Å; Q63-K65 PolarHBondContact O-N 2.93Å; K65-G67 PolarHBondContact O-N 3.36Å; K65-G67 VanDerWaalsContact O-N 3.13Å; K65-E94 WeakPolarHBondContact CE-OE1 3.32Å; K65-E94 IonicContact NZ-OE1 2.69Å; K65-E94 PolarHBondContact NZ-OE1 2.94Å
66	V	41.4	Very low	55.2	Low	151 Å²	151	113.8 Å²	113.8	92%	0.915	61%	0.606	S	S	*	*	S	Bend	trans	-66.1	114	-173.5	177.3	0	0	0	0	109	K64	K64-V66 PolarHBondContact O-N 2.78Å; K64-V66 VanDerWaalsContact O-N 3.13Å
67	G	46.3	Very low	58.1	Low	45 Å²	45	113.9 Å²	113.9	46%	0.464	60%	0.599	S	S	.	*			trans	80	94	179.7	0	0	0	0	0	114.2	K65 T69	K65-G67 PolarHBondContact O-N 3.36Å; K65-G67 VanDerWaalsContact O-N 3.13Å; G67-T69 PolarHBondContact O-N 2.91Å
68	Q	50.7	Low	60.6	Low	192 Å²	192	109.5 Å²	109.5	90%	0.897	58%	0.575	S	S	*	*			trans	-68.9	77.7	153.1	-78.3	-168.1	-10.4	0	0	109
69	T	67.8	Low	63.8	Low	45 Å²	45	105.8 Å²	105.8	28%	0.276	57%	0.57	S	S	.	*			trans	-87.4	132.2	175.4	67.2	0	0	0	0	110	G67 H73 Y74	G67-T69 PolarHBondContact O-N 2.91Å; T69-H73 WeakPolarHBondContact CB-ND1 3.42Å; T69-H73 PolarHBondContact OG1-ND1 3.06Å; T69-Y74 VanDerWaalsContact OG1-CE2 3.27Å; T69-Y74 WeakPolarHBondContact OG1-CE2 3.27Å
70	S	85.9	Confident	66.8	Low	68 Å²	68	99.5 Å²	99.5	48%	0.476	55%	0.553	S	S	.	*			trans	-56	153.4	178	176.7	0	0	0	0	111.6	L72 H73	S70-L72 PolarHBondContact O-N 3.13Å; S70-L72 PolarHBondContact OG-N 3.47Å; S70-H73 WeakPolarHBondContact O-CB 3.24Å; S70-H73 PolarHBondContact O-N 2.93Å
71	I	90.9	Very high	69.7	Low	72 Å²	72	96.9 Å²	96.9	37%	0.369	55%	0.55	S	S	.	*	H	α-helix	trans	-48	-33.7	171.5	-168	-177.9	0	0	0	112.2	H73 Y74 I75 L88 L92	I71-H73 VanDerWaalsContact C-N 3.26Å; I71-H73 PolarHBondContact O-N 2.69Å; I71-Y74 PolarHBondContact O-N 3.27Å; I71-Y74 VanDerWaalsContact O-N 3.08Å; I71-I75 HydrophobicContact CD1-CD1 4.34Å; I71-I75 HydrophobicContact CG1-CD1 4.03Å; I71-I75 HydrophobicContact CG1-CG1 4.37Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.58Å; I71-L88 HydrophobicContact CG1-CD1 4.05Å; I71-L92 HydrophobicContact CD1-CD2 3.81Å
72	L	90.5	Very high	72.6	Confident	125 Å²	125	98.1 Å²	98.1	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-57.2	-34.8	176.3	-60.3	176.8	0	0	0	113.3	S70 I75 Y76	S70-L72 PolarHBondContact O-N 3.13Å; S70-L72 PolarHBondContact OG-N 3.47Å; L72-I75 PolarHBondContact O-N 2.96Å; L72-Y76 WeakPolarHBondContact O-CB 3.49Å; L72-Y76 PolarHBondContact O-N 2.67Å
73	H	89.2	Confident	75.2	Confident	68 Å²	68	100.2 Å²	100.2	32%	0.315	54%	0.544	S	S	.	.	H	α-helix	trans	-70	-37.1	176.7	172.8	-123	0	0	0	111.8	T69 S70 I71 K77	T69-H73 WeakPolarHBondContact CB-ND1 3.42Å; T69-H73 PolarHBondContact OG1-ND1 3.06Å; S70-H73 WeakPolarHBondContact O-CB 3.24Å; S70-H73 PolarHBondContact O-N 2.93Å; I71-H73 VanDerWaalsContact C-N 3.26Å; I71-H73 PolarHBondContact O-N 2.69Å; H73-K77 VanDerWaalsContact NE2-CE 3.31Å; H73-K77 WeakPolarHBondContact NE2-CE 3.41Å; H73-K77 WeakPolarHBondContact O-CB 3.42Å; H73-K77 WeakPolarHBondContact O-CG 3.45Å; H73-K77 PolarHBondContact O-N 2.86Å
74	Y	88.4	Confident	77.8	Confident	38 Å²	38	91.9 Å²	91.9	15%	0.149	51%	0.505	C	S	.	.	H	α-helix	trans	-70.6	-39.2	172.8	-65.4	-83	0	0	0	111.6	T69 I71 K77 S78 I84 Q87 C91	T69-Y74 VanDerWaalsContact OG1-CE2 3.27Å; T69-Y74 WeakPolarHBondContact OG1-CE2 3.27Å; I71-Y74 PolarHBondContact O-N 3.27Å; I71-Y74 VanDerWaalsContact O-N 3.08Å; Y74-K77 PolarHBondContact O-N 2.96Å; Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 3.4Å; Y74-I84 HydrophobicContact CD1-CD1 3.87Å; Y74-I84 HydrophobicContact CG-CD1 4.4Å; Y74-I84 WeakPolarHBondContact O-CD1 3.39Å; Y74-Q87 HydrophobicContact CD1-CB 4.4Å; Y74-Q87 HydrophobicContact CE1-CB 3.88Å; Y74-C91 HydrophobicContact CD2-CB 4.37Å; Y74-C91 HydrophobicContact CE2-CB 3.97Å; Y74-C91 VanDerWaalsContact CE2-SG 3.57Å
75	I	90.1	Very high	80.1	Confident	91 Å²	91	88.3 Å²	88.3	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-61.1	-47.2	173.5	-66.4	165.1	0	0	0	110.2	I71 L72 S78 S79	I71-I75 HydrophobicContact CD1-CD1 4.34Å; I71-I75 HydrophobicContact CG1-CD1 4.03Å; I71-I75 HydrophobicContact CG1-CG1 4.37Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.58Å; L72-I75 PolarHBondContact O-N 2.96Å; I75-S78 PolarHBondContact O-N 2.81Å; I75-S79 PolarHBondContact O-N 3.23Å
76	Y	91.1	Very high	81.9	Confident	140 Å²	140	86.5 Å²	86.5	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-50.2	176.7	178.7	-116.2	0	0	0	112.2	L72 S78 S79 L80	L72-Y76 WeakPolarHBondContact O-CB 3.49Å; L72-Y76 PolarHBondContact O-N 2.67Å; Y76-S78 VanDerWaalsContact C-N 3.27Å; Y76-S78 PolarHBondContact O-N 2.72Å; Y76-S79 WeakPolarHBondContact O-CA 3.39Å; Y76-S79 WeakPolarHBondContact O-CB 3.41Å; Y76-S79 PolarHBondContact O-N 2.89Å; Y76-S79 PolarHBondContact O-OG 3.31Å; Y76-L80 HydrophobicContact CD1-CD1 4.18Å; Y76-L80 HydrophobicContact CE1-CD1 3.62Å; Y76-L80 HydrophobicContact CE1-CG 4.39Å; Y76-L80 HydrophobicContact CE2-CD1 4.35Å; Y76-L80 HydrophobicContact CE2-CD2 4.36Å; Y76-L80 HydrophobicContact CE2-CG 4.31Å; Y76-L80 PolarHBondContact O-N 3.25Å
77	K	88.7	Confident	84	Confident	59 Å²	59	84.1 Å²	84.1	26%	0.257	48%	0.478	S	S	.	.	H	α-helix	trans	-57.1	-38	174.8	-80.6	-176.3	161.5	-170	0	113.4	H73 Y74 L80 G81 Q82 I84	H73-K77 VanDerWaalsContact NE2-CE 3.31Å; H73-K77 WeakPolarHBondContact NE2-CE 3.41Å; H73-K77 WeakPolarHBondContact O-CB 3.42Å; H73-K77 WeakPolarHBondContact O-CG 3.45Å; H73-K77 PolarHBondContact O-N 2.86Å; Y74-K77 PolarHBondContact O-N 2.96Å; K77-L80 CarbonylContact O-C 3.31Å; K77-L80 PolarHBondContact O-N 3.42Å; K77-G81 PolarHBondContact O-N 3.43Å; K77-Q82 HydrophobicContact CB-CB 4.34Å; K77-Q82 VanDerWaalsContact CD-OE1 3.29Å; K77-Q82 VanDerWaalsContact CG-OE1 3.31Å; K77-Q82 WeakPolarHBondContact O-CB 3.36Å; K77-Q82 PolarHBondContact O-N 3.43Å; K77-I84 HydrophobicContact CB-CD1 3.48Å; K77-I84 VanDerWaalsContact CB-CD1 3.48Å; K77-I84 HydrophobicContact CD-CD1 4.45Å
78	S	90.1	Very high	86	Confident	51 Å²	51	83.8 Å²	83.8	36%	0.357	47%	0.465	S	S	.	.	H	α-helix	trans	-67.7	-35	174.9	-165.9	0	0	0	0	112.1	Y74 I75 Y76 L80 G81	Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 3.4Å; I75-S78 PolarHBondContact O-N 2.81Å; Y76-S78 VanDerWaalsContact C-N 3.27Å; Y76-S78 PolarHBondContact O-N 2.72Å; S78-L80 VanDerWaalsContact C-N 3.29Å; S78-L80 PolarHBondContact O-N 3.21Å; S78-G81 PolarHBondContact O-N 3.28Å; S78-G81 VanDerWaalsContact O-N 3.07Å
79	S	92	Very high	87.8	Confident	89 Å²	89	79.9 Å²	79.9	62%	0.622	44%	0.442	S	S	*	.	H	α-helix	trans	-69.2	-25.6	173.6	73.7	0	0	0	0	113.2	I75 Y76 G81	I75-S79 PolarHBondContact O-N 3.23Å; Y76-S79 WeakPolarHBondContact O-CA 3.39Å; Y76-S79 WeakPolarHBondContact O-CB 3.41Å; Y76-S79 PolarHBondContact O-N 2.89Å; Y76-S79 PolarHBondContact O-OG 3.31Å; S79-G81 PolarHBondContact O-N 2.91Å
80	L	93.6	Very high	88.7	Confident	97 Å²	97	82.9 Å²	82.9	51%	0.508	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	10.5	168.1	-61.1	179.3	0	0	0	113.7	Y76 K77 S78 Q82	Y76-L80 HydrophobicContact CD1-CD1 4.18Å; Y76-L80 HydrophobicContact CE1-CD1 3.62Å; Y76-L80 HydrophobicContact CE1-CG 4.39Å; Y76-L80 HydrophobicContact CE2-CD1 4.35Å; Y76-L80 HydrophobicContact CE2-CD2 4.36Å; Y76-L80 HydrophobicContact CE2-CG 4.31Å; Y76-L80 PolarHBondContact O-N 3.25Å; K77-L80 CarbonylContact O-C 3.31Å; K77-L80 PolarHBondContact O-N 3.42Å; S78-L80 VanDerWaalsContact C-N 3.29Å; S78-L80 PolarHBondContact O-N 3.21Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 3.45Å
81	G	91.3	Very high	88.9	Confident	68 Å²	68	81.3 Å²	81.3	70%	0.701	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	11	178.1	0	0	0	0	0	115.6	K77 S78 S79	K77-G81 PolarHBondContact O-N 3.43Å; S78-G81 PolarHBondContact O-N 3.28Å; S78-G81 VanDerWaalsContact O-N 3.07Å; S79-G81 PolarHBondContact O-N 2.91Å
82	Q	89.7	Confident	88.9	Confident	87 Å²	87	80.8 Å²	80.8	41%	0.407	44%	0.439	S	S	.	.			trans	-74.3	129	177.9	-57.5	-174.2	-0.2	0	0	110.7	K77 L80 I84	K77-Q82 HydrophobicContact CB-CB 4.34Å; K77-Q82 VanDerWaalsContact CD-OE1 3.29Å; K77-Q82 VanDerWaalsContact CG-OE1 3.31Å; K77-Q82 WeakPolarHBondContact O-CB 3.36Å; K77-Q82 PolarHBondContact O-N 3.43Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 3.45Å; Q82-I84 HydrophobicContact CB-CG2 4.3Å; Q82-I84 WeakPolarHBondContact O-CG1 3.31Å; Q82-I84 PolarHBondContact O-N 2.69Å; Q82-I84 VanDerWaalsContact O-N 3.14Å
83	S	85.8	Confident	89	Confident	111 Å²	111	75.8 Å²	75.8	78%	0.776	41%	0.412	S	S	*	.			trans	-78.3	98.8	176.8	-172.1	0	0	0	0	111.1
84	I	88.3	Confident	89	Confident	12 Å²	12	75.4 Å²	75.4	6%	0.062	41%	0.411	C	S	.	.			trans	-132.1	14.8	-174.1	52.9	162.9	0	0	0	113.7	Y74 K77 Q82 A86 Q87 L88	Y74-I84 HydrophobicContact CD1-CD1 3.87Å; Y74-I84 HydrophobicContact CG-CD1 4.4Å; Y74-I84 WeakPolarHBondContact O-CD1 3.39Å; K77-I84 HydrophobicContact CB-CD1 3.48Å; K77-I84 VanDerWaalsContact CB-CD1 3.48Å; K77-I84 HydrophobicContact CD-CD1 4.45Å; Q82-I84 HydrophobicContact CB-CG2 4.3Å; Q82-I84 WeakPolarHBondContact O-CG1 3.31Å; Q82-I84 PolarHBondContact O-N 2.69Å; Q82-I84 VanDerWaalsContact O-N 3.14Å; I84-A86 VanDerWaalsContact C-N 3.29Å; I84-A86 PolarHBondContact O-N 2.78Å; I84-Q87 WeakPolarHBondContact O-CB 3.45Å; I84-Q87 PolarHBondContact O-N 3.49Å; I84-L88 PolarHBondContact O-N 3.42Å
85	H	83.6	Confident	89.2	Confident	126 Å²	126	76.4 Å²	76.4	58%	0.583	42%	0.422	S	S	*	.	H	α-helix	trans	-54.6	-38.7	-174.1	-63.8	-70.7	0	0	0	114.2	L88 R89	H85-L88 PolarHBondContact O-N 2.74Å; H85-R89 PolarHBondContact O-N 2.58Å
86	A	83.9	Confident	89.4	Confident	81 Å²	81	73.1 Å²	73.1	67%	0.669	41%	0.405	S	S	*	.	H	α-helix	trans	-66.7	-39.3	176.2	0	0	0	0	0	112.6	I84 R89 Q90	I84-A86 VanDerWaalsContact C-N 3.29Å; I84-A86 PolarHBondContact O-N 2.78Å; A86-R89 PolarHBondContact O-N 2.84Å; A86-Q90 PolarHBondContact O-N 3.4Å
87	Q	86.4	Confident	89.6	Confident	101 Å²	101	68 Å²	68	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-39.3	176.5	-57.3	178.3	3.1	0	0	110.9	Y74 I84 Q90 C91	Y74-Q87 HydrophobicContact CD1-CB 4.4Å; Y74-Q87 HydrophobicContact CE1-CB 3.88Å; I84-Q87 WeakPolarHBondContact O-CB 3.45Å; I84-Q87 PolarHBondContact O-N 3.49Å; Q87-Q90 PolarHBondContact O-N 2.8Å; Q87-C91 WeakPolarHBondContact O-CB 3.45Å; Q87-C91 PolarHBondContact O-N 3.34Å
88	L	88.3	Confident	89.8	Confident	38 Å²	38	71.5 Å²	71.5	20%	0.199	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-44	173.7	177.6	59.6	0	0	0	111.8	I71 I84 H85 Q90 C91 L92	I71-L88 HydrophobicContact CG1-CD1 4.05Å; I84-L88 PolarHBondContact O-N 3.42Å; H85-L88 PolarHBondContact O-N 2.74Å; L88-Q90 PolarHBondContact O-N 2.89Å; L88-C91 WeakPolarHBondContact O-CB 3.36Å; L88-C91 PolarHBondContact O-N 3.2Å; L88-L92 HydrophobicContact CD1-CD1 4.09Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 WeakPolarHBondContact O-CG 3.14Å; L88-L92 PolarHBondContact O-N 3.13Å
89	R	87.6	Confident	90	Very high	110 Å²	110	69.9 Å²	69.9	42%	0.415	39%	0.387	S	S	.	.	H	α-helix	trans	-56.5	-48.9	172.5	176.7	-179.3	-83.8	-161.6	-4.1	110.9	H85 A86 C91 L92 Q93 M351 Y352 D353	H85-R89 PolarHBondContact O-N 2.58Å; A86-R89 PolarHBondContact O-N 2.84Å; R89-C91 VanDerWaalsContact C-N 3.33Å; R89-C91 PolarHBondContact O-N 3.03Å; R89-L92 PolarHBondContact O-N 2.93Å; R89-L92 VanDerWaalsContact O-N 3.14Å; R89-Q93 WeakPolarHBondContact O-CB 3.49Å; R89-Q93 PolarHBondContact O-N 2.71Å; R89-M351 VanDerWaalsContact CZ-O 3.23Å; R89-M351 PolarHBondContact NE-O 2.98Å; R89-M351 VanDerWaalsContact NE-O 3.15Å; R89-M351 PolarHBondContact NH2-O 2.85Å; R89-Y352 HydrophobicContact CG-CD1 3.99Å; R89-Y352 HydrophobicContact CG-CE1 4.43Å; R89-D353 IonicContact CZ-OD1 3.88Å; R89-D353 IonicContact NH1-OD1 2.66Å; R89-D353 PolarHBondContact NH1-OD1 2.86Å
90	Q	86.9	Confident	90.1	Very high	108 Å²	108	65.7 Å²	65.7	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-38.7	179.4	-163	-176.1	36.3	0	0	112.3	A86 Q87 L88 L92 Q93 E94	A86-Q90 PolarHBondContact O-N 3.4Å; Q87-Q90 PolarHBondContact O-N 2.8Å; L88-Q90 PolarHBondContact O-N 2.89Å; Q90-L92 PolarHBondContact O-N 3.36Å; Q90-Q93 PolarHBondContact O-N 3.46Å; Q90-E94 PolarHBondContact O-N 2.93Å
91	C	89.8	Confident	90.1	Very high	35 Å²	35	68 Å²	68	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-27.7	175.2	-173.2	0	0	0	0	113.1	Y74 Q87 L88 R89 P95	Y74-C91 HydrophobicContact CD2-CB 4.37Å; Y74-C91 HydrophobicContact CE2-CB 3.97Å; Y74-C91 VanDerWaalsContact CE2-SG 3.57Å; Q87-C91 WeakPolarHBondContact O-CB 3.45Å; Q87-C91 PolarHBondContact O-N 3.34Å; L88-C91 WeakPolarHBondContact O-CB 3.36Å; L88-C91 PolarHBondContact O-N 3.2Å; R89-C91 VanDerWaalsContact C-N 3.33Å; R89-C91 PolarHBondContact O-N 3.03Å; C91-P95 WeakPolarHBondContact O-CD 3.39Å; C91-P95 WeakPolarHBondContact O-CG 3.46Å
92	L	91.6	Very high	90.2	Very high	62 Å²	62	66.8 Å²	66.8	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-89.3	-31.1	176.8	-69.9	170.1	0	0	0	113	I71 L88 R89 Q90 E94 P95 F96 Y352	I71-L92 HydrophobicContact CD1-CD2 3.81Å; L88-L92 HydrophobicContact CD1-CD1 4.09Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 WeakPolarHBondContact O-CG 3.14Å; L88-L92 PolarHBondContact O-N 3.13Å; R89-L92 PolarHBondContact O-N 2.93Å; R89-L92 VanDerWaalsContact O-N 3.14Å; Q90-L92 PolarHBondContact O-N 3.36Å; L92-E94 PolarHBondContact O-N 2.76Å; L92-P95 VanDerWaalsContact O-CD 3.23Å; L92-P95 WeakPolarHBondContact O-CD 3.41Å; L92-P95 VanDerWaalsContact O-CG 3.29Å; L92-P95 WeakPolarHBondContact O-CG 3.36Å; L92-F96 WeakPolarHBondContact O-CB 3.48Å; L92-F96 PolarHBondContact O-N 3.46Å; L92-Y352 HydrophobicContact CB-CE1 4Å
93	Q	92.1	Very high	90.5	Very high	19 Å²	19	63.6 Å²	63.6	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-37.8	176.7	-173.3	176.2	-14.4	0	0	112.1	R89 Q90 F96 I97 Y352 L354	R89-Q93 WeakPolarHBondContact O-CB 3.49Å; R89-Q93 PolarHBondContact O-N 2.71Å; Q90-Q93 PolarHBondContact O-N 3.46Å; Q93-F96 WeakPolarHBondContact O-CB 3.39Å; Q93-F96 PolarHBondContact O-N 3.27Å; Q93-I97 HydrophobicContact CG-CD1 3.96Å; Q93-I97 VanDerWaalsContact O-CG1 3.27Å; Q93-I97 WeakPolarHBondContact O-CG1 3.12Å; Q93-I97 PolarHBondContact O-N 3.08Å; Q93-Y352 HydrophobicContact CB-CD1 3.79Å; Q93-Y352 HydrophobicContact CB-CE1 4.08Å; Q93-Y352 HydrophobicContact CB-CG 4.23Å; Q93-Y352 HydrophobicContact CG-CD1 4.18Å; Q93-Y352 HydrophobicContact CG-CG 4.14Å; Q93-L354 HydrophobicContact CG-CD1 4.42Å; Q93-L354 HydrophobicContact CG-CG 4.47Å
94	E	90.3	Very high	90.9	Very high	61 Å²	61	62.8 Å²	62.8	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-52.3	177	-70.1	-170.4	-167.9	0	0	114.9	K65 Q90 L92 F96 I97 R98	K65-E94 WeakPolarHBondContact CE-OE1 3.32Å; K65-E94 IonicContact NZ-OE1 2.69Å; K65-E94 PolarHBondContact NZ-OE1 2.94Å; Q90-E94 PolarHBondContact O-N 2.93Å; L92-E94 PolarHBondContact O-N 2.76Å; E94-F96 VanDerWaalsContact C-N 3.26Å; E94-F96 PolarHBondContact O-N 2.68Å; E94-I97 PolarHBondContact O-N 3.47Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.04Å; E94-R98 IonicContact OE2-CZ 3.48Å; E94-R98 IonicContact OE2-NH1 2.98Å; E94-R98 IonicContact OE2-NH2 2.93Å; E94-R98 PolarHBondContact OE2-NH2 3.25Å
95	P	92.6	Very high	91.2	Very high	59 Å²	59	63.6 Å²	63.6	38%	0.383	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-29.2	175.6	24.8	-32.8	0	0	0	112.5	C91 L92 R98 S99	C91-P95 WeakPolarHBondContact O-CD 3.39Å; C91-P95 WeakPolarHBondContact O-CG 3.46Å; L92-P95 VanDerWaalsContact O-CD 3.23Å; L92-P95 WeakPolarHBondContact O-CD 3.41Å; L92-P95 VanDerWaalsContact O-CG 3.29Å; L92-P95 WeakPolarHBondContact O-CG 3.36Å; P95-R98 PolarHBondContact O-N 2.81Å; P95-S99 PolarHBondContact O-N 2.84Å
96	F	94.4	Very high	91.6	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-51	169.2	178.3	-104.6	0	0	0	111.5	L92 Q93 E94 R98 S99 L100 H349 Y352 L354 F401 G405	L92-F96 WeakPolarHBondContact O-CB 3.48Å; L92-F96 PolarHBondContact O-N 3.46Å; Q93-F96 WeakPolarHBondContact O-CB 3.39Å; Q93-F96 PolarHBondContact O-N 3.27Å; E94-F96 VanDerWaalsContact C-N 3.26Å; E94-F96 PolarHBondContact O-N 2.68Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 2.94Å; F96-S99 CarbonylContact O-C 3.59Å; F96-S99 WeakPolarHBondContact O-CA 3.37Å; F96-S99 PolarHBondContact O-N 2.87Å; F96-S99 PolarHBondContact O-OG 2.74Å; F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CD1-CG 4.38Å; F96-L100 HydrophobicContact CE1-CD1 3.91Å; F96-L100 HydrophobicContact CE1-CD2 3.99Å; F96-L100 HydrophobicContact CE1-CG 4.03Å; F96-L100 HydrophobicContact CE2-CD2 4.42Å; F96-L100 HydrophobicContact CZ-CD2 3.8Å; F96-L100 HydrophobicContact CZ-CG 4.27Å; F96-L100 PolarHBondContact O-N 2.87Å; F96-H349 AromaticContact CE1-CD2 3.79Å; F96-H349 AromaticContact CE1-NE2 3.74Å; F96-H349 AromaticContact CE2-NE2 3.85Å; F96-H349 AromaticContact CZ-CD2 3.57Å; F96-H349 AromaticContact CZ-NE2 3.31Å; F96-H349 VanDerWaalsContact CZ-NE2 3.31Å; F96-H349 WeakPolarHBondContact CZ-NE2 3.46Å; F96-Y352 HydrophobicContact CB-CD2 4.37Å; F96-Y352 HydrophobicContact CB-CE2 3.68Å; F96-Y352 AromaticContact CD1-CD2 3.66Å; F96-Y352 HydrophobicContact CD1-CD2 3.66Å; F96-Y352 AromaticContact CD1-CE2 3.72Å; F96-Y352 HydrophobicContact CD1-CE2 3.72Å; F96-Y352 HydrophobicContact CD2-CE2 4Å; F96-Y352 HydrophobicContact CE1-CD2 4.07Å; F96-Y352 HydrophobicContact CE1-CE2 4.35Å; F96-Y352 AromaticContact CG-CD2 3.98Å; F96-Y352 HydrophobicContact CG-CD2 3.98Å; F96-Y352 AromaticContact CG-CE2 3.51Å; F96-Y352 HydrophobicContact CG-CE2 3.51Å; F96-L354 HydrophobicContact CD1-CD1 3.78Å; F96-L354 HydrophobicContact CE1-CD1 3.71Å; F96-F401 HydrophobicContact CE1-CZ 4.45Å; F96-F401 HydrophobicContact CZ-CE1 4.01Å; F96-F401 HydrophobicContact CZ-CZ 4.05Å; F96-G405 VanDerWaalsContact CE2-O 3.29Å; F96-G405 WeakPolarHBondContact CE2-O 3.35Å; F96-G405 WeakPolarHBondContact CZ-O 3.47Å
97	I	94.4	Very high	92	Very high	33 Å²	33	58.1 Å²	58.1	17%	0.169	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-35.6	175.7	-68.1	163.5	0	0	0	111.9	Q93 E94 S99 L354 V384	Q93-I97 HydrophobicContact CG-CD1 3.96Å; Q93-I97 VanDerWaalsContact O-CG1 3.27Å; Q93-I97 WeakPolarHBondContact O-CG1 3.12Å; Q93-I97 PolarHBondContact O-N 3.08Å; E94-I97 PolarHBondContact O-N 3.47Å; I97-S99 VanDerWaalsContact C-N 3.34Å; I97-L354 HydrophobicContact CD1-CD2 4.24Å; I97-L354 HydrophobicContact CG1-CD1 4.23Å; I97-V384 HydrophobicContact CD1-CB 4.34Å; I97-V384 HydrophobicContact CD1-CG1 4.24Å; I97-V384 HydrophobicContact CD1-CG2 4.38Å; I97-V384 HydrophobicContact CG1-CG2 4.31Å; I97-V384 HydrophobicContact CG2-CB 4.06Å; I97-V384 HydrophobicContact CG2-CG2 4.45Å
98	R	93.2	Very high	92.4	Very high	132 Å²	132	57.3 Å²	57.3	50%	0.498	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-40.3	171.9	-67.1	171.8	-170.1	110	10.3	111.5	E94 P95 F96 K101	E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.04Å; E94-R98 IonicContact OE2-CZ 3.48Å; E94-R98 IonicContact OE2-NH1 2.98Å; E94-R98 IonicContact OE2-NH2 2.93Å; E94-R98 PolarHBondContact OE2-NH2 3.25Å; P95-R98 PolarHBondContact O-N 2.81Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 2.94Å; R98-K101 WeakPolarHBondContact O-CB 3.32Å; R98-K101 PolarHBondContact O-N 3.27Å
99	S	94	Very high	92.7	Very high	17 Å²	17	56.6 Å²	56.6	12%	0.119	28%	0.276	C	S	.	.	H	α-helix	trans	-74.6	-24.4	-180	76.6	0	0	0	0	114.6	P95 F96 I97 K101 S102 Y103	P95-S99 PolarHBondContact O-N 2.84Å; F96-S99 CarbonylContact O-C 3.59Å; F96-S99 WeakPolarHBondContact O-CA 3.37Å; F96-S99 PolarHBondContact O-N 2.87Å; F96-S99 PolarHBondContact O-OG 2.74Å; I97-S99 VanDerWaalsContact C-N 3.34Å; S99-K101 PolarHBondContact O-N 3.35Å; S99-S102 WeakPolarHBondContact O-CB 3.33Å; S99-S102 PolarHBondContact O-N 3.01Å; S99-Y103 WeakPolarHBondContact O-CD2 3.47Å
100	L	94.3	Very high	93	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.3	-31.7	172	-71.6	175	0	0	0	111.9	F96 S102 Y103 I375 H385 F401	F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CD1-CG 4.38Å; F96-L100 HydrophobicContact CE1-CD1 3.91Å; F96-L100 HydrophobicContact CE1-CD2 3.99Å; F96-L100 HydrophobicContact CE1-CG 4.03Å; F96-L100 HydrophobicContact CE2-CD2 4.42Å; F96-L100 HydrophobicContact CZ-CD2 3.8Å; F96-L100 HydrophobicContact CZ-CG 4.27Å; F96-L100 PolarHBondContact O-N 2.87Å; L100-S102 PolarHBondContact O-N 3.44Å; L100-S102 VanDerWaalsContact O-N 3.13Å; L100-Y103 HydrophobicContact CD2-CD1 4.4Å; L100-Y103 HydrophobicContact CD2-CD2 4.27Å; L100-Y103 HydrophobicContact CD2-CE1 4.06Å; L100-Y103 HydrophobicContact CD2-CE2 3.89Å; L100-Y103 HydrophobicContact CD2-CG 4.49Å; L100-Y103 WeakPolarHBondContact O-CB 3.27Å; L100-Y103 PolarHBondContact O-N 2.88Å; L100-I375 HydrophobicContact CD1-CD1 3.84Å; L100-I375 HydrophobicContact CD1-CG2 4.19Å; L100-I375 HydrophobicContact CD2-CD1 4.13Å; L100-H385 PolarHBondContact O-NE2 2.86Å; L100-F401 HydrophobicContact CD2-CE1 4.35Å; L100-F401 HydrophobicContact CD2-CZ 4.05Å
101	K	93	Very high	93.2	Very high	145 Å²	145	52.3 Å²	52.3	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.2	175.6	-55.4	-174	179.2	-171.4	0	114.3	R98 S99	R98-K101 WeakPolarHBondContact O-CB 3.32Å; R98-K101 PolarHBondContact O-N 3.27Å; S99-K101 PolarHBondContact O-N 3.35Å
102	S	94.1	Very high	93.3	Very high	44 Å²	44	51.3 Å²	51.3	31%	0.308	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9	176.6	-56.8	0	0	0	0	112.3	S99 L100 R421 E422	S99-S102 WeakPolarHBondContact O-CB 3.33Å; S99-S102 PolarHBondContact O-N 3.01Å; L100-S102 PolarHBondContact O-N 3.44Å; L100-S102 VanDerWaalsContact O-N 3.13Å; S102-R421 WeakPolarHBondContact O-CA 3.32Å; S102-E422 PolarHBondContact O-N 3.08Å
103	Y	95.5	Very high	93.2	Very high	19 Å²	19	54.9 Å²	54.9	8%	0.075	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.2	172.4	-81.8	-137.8	0	0	0	109.7	S99 L100 F401 D406 W419 N420 R421	S99-Y103 WeakPolarHBondContact O-CD2 3.47Å; L100-Y103 HydrophobicContact CD2-CD1 4.4Å; L100-Y103 HydrophobicContact CD2-CD2 4.27Å; L100-Y103 HydrophobicContact CD2-CE1 4.06Å; L100-Y103 HydrophobicContact CD2-CE2 3.89Å; L100-Y103 HydrophobicContact CD2-CG 4.49Å; L100-Y103 WeakPolarHBondContact O-CB 3.27Å; L100-Y103 PolarHBondContact O-N 2.88Å; Y103-F401 HydrophobicContact CE1-CE1 4.24Å; Y103-D406 PolarHBondContact OH-O 3.44Å; Y103-W419 HydrophobicContact CD1-CB 4.2Å; Y103-N420 WeakPolarHBondContact CA-O 3.49Å; Y103-R421 HydrophobicContact CD2-CB 4.13Å; Y103-R421 HydrophobicContact CE2-CB 4.16Å
104	K	94.3	Very high	93.3	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.409	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.3	173.2	-72.2	-176.4	173.9	173.4	0	109.6	H106 W419 N420 E422	K104-H106 PolarHBondContact O-N 2.97Å; K104-W419 WeakPolarHBondContact O-CA 3.25Å; K104-N420 PolarHBondContact N-O 3.05Å; K104-N420 PolarHBondContact O-N 3.3Å; K104-E422 HydrophobicContact CD-CB 4.32Å; K104-E422 HydrophobicContact CD-CG 4.39Å; K104-E422 WeakPolarHBondContact CE-OE2 3.31Å; K104-E422 IonicContact NZ-OE1 2.79Å; K104-E422 PolarHBondContact NZ-OE1 2.86Å; K104-E422 IonicContact NZ-OE2 3.91Å; K104-E422 PolarHBondContact NZ-OE2 2.91Å
105	L	94.9	Very high	93.5	Very high	30 Å²	30	57.6 Å²	57.6	16%	0.157	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	111.4	171.9	-173.2	61.1	0	0	0	108.7	T108 D389 N391 A392 L417 W419	L105-T108 HydrophobicContact CD1-CG2 3.96Å; L105-T108 HydrophobicContact CD2-CG2 3.77Å; L105-T108 HydrophobicContact CG-CG2 4.01Å; L105-D389 HydrophobicContact CB-CB 4.11Å; L105-D389 HydrophobicContact CD2-CB 4.22Å; L105-N391 HydrophobicContact CD2-CB 4.18Å; L105-A392 HydrophobicContact CD2-CB 4.42Å; L105-L417 HydrophobicContact CD1-CB 3.85Å; L105-L417 HydrophobicContact CD1-CD2 4.17Å; L105-L417 HydrophobicContact CD1-CG 4.45Å; L105-W419 HydrophobicContact CB-CE3 4.36Å; L105-W419 HydrophobicContact CB-CZ3 4.37Å; L105-W419 HydrophobicContact CD1-CD2 4.4Å
106	H	92.4	Very high	93.7	Very high	38 Å²	38	55 Å²	55	18%	0.176	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-54.6	-179.2	174.3	32.1	0	0	0	110.7	K104 Y143 D144 I418 N420 L425	K104-H106 PolarHBondContact O-N 2.97Å; H106-Y143 AromaticContact CD2-CE2 3.93Å; H106-Y143 AromaticContact NE2-CD2 3.6Å; H106-Y143 AromaticContact NE2-CE2 3.52Å; H106-D144 IonicContact CE1-OD1 3.59Å; H106-D144 PolarHBondContact CE1-OD1 3.44Å; H106-D144 IonicContact NE2-OD1 3.74Å; H106-D144 PolarHBondContact NE2-OD1 3.34Å; H106-D144 IonicContact NE2-OD2 2.68Å; H106-D144 PolarHBondContact NE2-OD2 3.04Å; H106-I418 HydrophobicContact CB-CG2 4.39Å; H106-I418 WeakPolarHBondContact CB-O 3.42Å; H106-I418 PolarHBondContact N-O 3.26Å; H106-N420 HydrophobicContact CB-CB 4.01Å; H106-L425 HydrophobicContact CB-CD1 4.48Å; H106-L425 HydrophobicContact CB-CD2 4.01Å; H106-L425 VanDerWaalsContact ND1-CD2 3.27Å; H106-L425 WeakPolarHBondContact ND1-CD2 2.99Å
107	R	92.7	Very high	93.8	Very high	53 Å²	53	54.9 Å²	54.9	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.5	-175.5	-67.1	179.4	-172.4	-104.5	11.8	111.4	W141 Y143 D144 I418	R107-W141 HydrophobicContact CB-CH2 4.14Å; R107-W141 HydrophobicContact CB-CZ2 4.5Å; R107-Y143 WeakPolarHBondContact CD-O 3.41Å; R107-Y143 PolarHBondContact NE-O 2.87Å; R107-Y143 PolarHBondContact NH1-O 2.9Å; R107-D144 IonicContact CZ-OD1 3.36Å; R107-D144 VanDerWaalsContact CZ-OD1 3.28Å; R107-D144 IonicContact NE-OD1 2.71Å; R107-D144 PolarHBondContact NE-OD1 3.2Å; R107-D144 PolarHBondContact NH2-O 3.21Å; R107-D144 IonicContact NH2-OD1 2.68Å; R107-D144 PolarHBondContact NH2-OD1 2.93Å; R107-I418 HydrophobicContact CB-CB 4.39Å; R107-I418 PolarHBondContact N-O 2.82Å; R107-I418 PolarHBondContact O-N 2.77Å
108	T	94.3	Very high	93.9	Very high	84 Å²	84	53.7 Å²	53.7	52%	0.515	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.7	174.4	57.3	0	0	0	0	110.3	L105 I416 L417	L105-T108 HydrophobicContact CD1-CG2 3.96Å; L105-T108 HydrophobicContact CD2-CG2 3.77Å; L105-T108 HydrophobicContact CG-CG2 4.01Å; T108-I416 VanDerWaalsContact CA-O 3.3Å; T108-I416 WeakPolarHBondContact CA-O 3.39Å; T108-L417 HydrophobicContact CG2-CD2 3.66Å
109	A	93.9	Very high	94	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.3	170.1	0	0	0	0	0	110.5	W141 N415 I416	A109-W141 HydrophobicContact CB-CD2 4.31Å; A109-W141 HydrophobicContact CB-CE3 4.17Å; A109-W141 HydrophobicContact CB-CH2 3.62Å; A109-W141 HydrophobicContact CB-CZ2 3.76Å; A109-W141 HydrophobicContact CB-CZ3 3.83Å; A109-N415 CarbonylContact O-C 3.59Å; A109-N415 WeakPolarHBondContact O-CA 3.45Å; A109-I416 HydrophobicContact CB-CD1 4.5Å; A109-I416 PolarHBondContact N-O 3.13Å; A109-I416 PolarHBondContact O-N 3.1Å
110	S	93.7	Very high	94.1	Very high	82 Å²	82	49 Å²	49	57%	0.573	25%	0.252	S	S	*	.			trans	-130.3	67.6	175.6	58.8	0	0	0	0	110.2	F112	S110-F112 VanDerWaalsContact C-N 3.25Å; S110-F112 PolarHBondContact O-N 3.27Å
111	P	91.1	Very high	94.2	Very high	46 Å²	46	49.9 Å²	49.9	30%	0.299	26%	0.255	S	S	.	.			trans	-80.6	1.3	-170.1	33.7	-36	0	0	0	114.4	I139 I416	P111-I139 HydrophobicContact CB-CD1 3.66Å; P111-I139 HydrophobicContact CG-CD1 3.94Å; P111-I139 HydrophobicContact CG-CG2 4.06Å; P111-I416 HydrophobicContact CG-CD1 3.8Å
112	F	92.8	Very high	94.3	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.057	23%	0.227	C	C	.	.			trans	-126.1	138.5	-171.8	-56.2	-56.3	0	0	0	112.2	S110 R114 V116 V131 D137 I139 F151	S110-F112 VanDerWaalsContact C-N 3.25Å; S110-F112 PolarHBondContact O-N 3.27Å; F112-R114 WeakPolarHBondContact CB-O 3.44Å; F112-R114 PolarHBondContact O-N 3.36Å; F112-V116 HydrophobicContact CD2-CG2 4.18Å; F112-V116 HydrophobicContact CE2-CG2 4.38Å; F112-V131 HydrophobicContact CE2-CB 4.18Å; F112-V131 HydrophobicContact CE2-CG1 3.99Å; F112-V131 WeakPolarHBondContact CZ-O 3.29Å; F112-D137 HydrophobicContact CD1-CB 3.75Å; F112-D137 HydrophobicContact CE1-CB 3.58Å; F112-I139 HydrophobicContact CE1-CB 4.24Å; F112-I139 HydrophobicContact CE1-CG2 4.32Å; F112-I139 HydrophobicContact CE2-CG2 4.07Å; F112-I139 HydrophobicContact CZ-CB 3.9Å; F112-I139 HydrophobicContact CZ-CG2 3.54Å; F112-F151 HydrophobicContact CD1-CE2 4.01Å; F112-F151 HydrophobicContact CD1-CZ 4.45Å; F112-F151 AromaticContact CE1-CE2 3.74Å; F112-F151 HydrophobicContact CE1-CE2 3.74Å; F112-F151 HydrophobicContact CE1-CZ 4.38Å
113	D	89.8	Confident	94.2	Very high	137 Å²	137	44.3 Å²	44.3	73%	0.733	23%	0.232	S	C	*	.	S	Bend	trans	-72.9	1.8	166.1	-176.5	60.1	0	0	0	112.8	F414	D113-F414 WeakPolarHBondContact O-CE1 3.27Å
114	R	93.6	Very high	93.9	Very high	93 Å²	93	48.1 Å²	48.1	35%	0.351	26%	0.258	S	S	.	.	S	Bend	trans	-138	150.9	179.4	-59.5	-165.7	-172	-70.2	7.7	111.3	F112 K134 F414	F112-R114 WeakPolarHBondContact CB-O 3.44Å; F112-R114 PolarHBondContact O-N 3.36Å; R114-K134 HydrophobicContact CB-CB 4.16Å; R114-F414 VanDerWaalsContact C-CD1 3.49Å
115	R	95	Very high	93.8	Very high	45 Å²	45	47.9 Å²	47.9	17%	0.17	26%	0.258	C	S	.	.			trans	-54.7	145.8	-179	76.1	-178.7	-165.8	-135.8	-1.5	112.4	T117 K134 Q339 H340 L341 T342 G413	R115-T117 HydrophobicContact CG-CG2 4.39Å; R115-K134 HydrophobicContact CG-CB 3.88Å; R115-K134 HydrophobicContact CG-CG 4.38Å; R115-K134 WeakPolarHBondContact O-CB 3.48Å; R115-K134 PolarHBondContact O-N 2.75Å; R115-Q339 PolarHBondContact NH1-O 3.5Å; R115-H340 WeakPolarHBondContact CD-O 3.27Å; R115-H340 VanDerWaalsContact NH1-CA 3.33Å; R115-H340 PolarHBondContact NH1-O 3.25Å; R115-L341 PolarHBondContact NH2-O 3.41Å; R115-T342 WeakPolarHBondContact CD-OG1 3.38Å; R115-T342 PolarHBondContact NE-OG1 3.26Å; R115-T342 VanDerWaalsContact NE-OG1 3.09Å; R115-G413 CarbonylContact C-O 3.46Å; R115-G413 VanDerWaalsContact CA-O 3.23Å; R115-G413 WeakPolarHBondContact CA-O 3.34Å; R115-G413 WeakPolarHBondContact CB-O 3.33Å
116	V	96.9	Very high	93.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.3	169.1	173	0	0	0	0	110	F112 V131 T342 L398 G413 I416	F112-V116 HydrophobicContact CD2-CG2 4.18Å; F112-V116 HydrophobicContact CE2-CG2 4.38Å; V116-V131 HydrophobicContact CB-CG1 4.18Å; V116-V131 HydrophobicContact CG1-CG1 3.4Å; V116-V131 VanDerWaalsContact CG1-CG1 3.4Å; V116-V131 HydrophobicContact CG2-CG1 3.71Å; V116-T342 WeakPolarHBondContact O-CB 3.43Å; V116-T342 PolarHBondContact O-OG1 3.39Å; V116-L398 HydrophobicContact CG1-CD1 4.01Å; V116-G413 PolarHBondContact N-O 3.31Å; V116-I416 HydrophobicContact CG2-CG1 4.42Å
117	T	96.1	Very high	93.7	Very high	21 Å²	21	49.4 Å²	49.4	13%	0.129	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-23.3	177.7	51.5	0	0	0	0	113.7	R115 G132 S133 K134 I161	R115-T117 HydrophobicContact CG-CG2 4.39Å; T117-G132 PolarHBondContact N-O 3.46Å; T117-G132 PolarHBondContact OG1-O 3.38Å; T117-S133 PolarHBondContact OG1-O 2.88Å; T117-K134 HydrophobicContact CG2-CB 3.74Å; T117-K134 HydrophobicContact CG2-CG 4.02Å; T117-I161 VanDerWaalsContact CB-O 3.24Å; T117-I161 WeakPolarHBondContact CB-O 3.33Å; T117-I161 PolarHBondContact OG1-O 3.43Å
118	S	95.6	Very high	93.9	Very high	8 Å²	8	47 Å²	47	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.3	176.5	-170.5	0	0	0	0	110.9	V131 G132	S118-V131 WeakPolarHBondContact O-CA 3.49Å; S118-V131 WeakPolarHBondContact O-CG1 3.42Å; S118-G132 PolarHBondContact N-O 2.88Å; S118-G132 PolarHBondContact O-N 3.26Å
119	L	96.5	Very high	93.9	Very high	7 Å²	7	43 Å²	43	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	119.3	-176.2	169.4	63.2	0	0	0	108.3	V129 V131 L398 A409	L119-V129 HydrophobicContact CD1-CB 4.36Å; L119-V131 HydrophobicContact CD1-CG2 3.77Å; L119-L398 HydrophobicContact CB-CB 4.45Å; L119-L398 HydrophobicContact CB-CD1 3.9Å; L119-L398 HydrophobicContact CD2-CB 4.23Å; L119-A409 HydrophobicContact CD1-CB 4.25Å; L119-A409 HydrophobicContact CD2-CB 4.19Å
120	E	96.3	Very high	94.1	Very high	44 Å²	44	41.9 Å²	41.9	21%	0.206	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.5	174.9	-64.5	-53.1	145.7	0	0	111.4	A130 M164 F166 K400	E120-A130 PolarHBondContact N-O 3.36Å; E120-A130 PolarHBondContact O-N 3.35Å; E120-A130 VanDerWaalsContact O-O 3.11Å; E120-M164 HydrophobicContact CB-CE 4.38Å; E120-M164 HydrophobicContact CG-CB 4.49Å; E120-M164 HydrophobicContact CG-CE 4.38Å; E120-M164 VanDerWaalsContact CG-O 3.3Å; E120-M164 WeakPolarHBondContact CG-O 3.48Å; E120-F166 HydrophobicContact CB-CD2 4.28Å; E120-F166 HydrophobicContact CB-CE2 4.27Å; E120-K400 IonicContact OE1-NZ 3.88Å; E120-K400 PolarHBondContact OE1-NZ 3.26Å; E120-K400 IonicContact OE2-NZ 2.76Å; E120-K400 PolarHBondContact OE2-NZ 3.16Å
121	W	96.6	Very high	94.3	Very high	17 Å²	17	38 Å²	38	6%	0.064	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.8	173.3	-77.3	96.2	0	0	0	111.5	P126 V129 Y143 F166 K400 F401 S402 P403 V407 A409	W121-P126 VanDerWaalsContact CZ3-O 3.25Å; W121-P126 WeakPolarHBondContact CZ3-O 2.99Å; W121-V129 HydrophobicContact CD2-CG1 3.66Å; W121-V129 HydrophobicContact CE3-CG1 3.48Å; W121-V129 VanDerWaalsContact CE3-CG1 3.48Å; W121-V129 HydrophobicContact CG-CG1 4.38Å; W121-V129 HydrophobicContact CH2-CG1 4.03Å; W121-V129 HydrophobicContact CZ2-CG1 4.2Å; W121-V129 HydrophobicContact CZ3-CG1 3.66Å; W121-Y143 AromaticContact CH2-CE1 3.89Å; W121-Y143 HydrophobicContact CH2-CE1 3.89Å; W121-Y143 AromaticContact CZ3-CE1 3.92Å; W121-Y143 HydrophobicContact CZ3-CE1 3.92Å; W121-F166 VanDerWaalsContact O-CD2 3.3Å; W121-F166 WeakPolarHBondContact O-CD2 3.48Å; W121-F166 VanDerWaalsContact O-CE2 3.31Å; W121-F166 WeakPolarHBondContact O-CE2 3.44Å; W121-K400 PolarHBondContact NE1-O 3.43Å; W121-F401 VanDerWaalsContact NE1-C 3.26Å; W121-F401 PolarHBondContact NE1-O 3.33Å; W121-S402 VanDerWaalsContact CE2-CA 3.47Å; W121-P403 HydrophobicContact CB-CG 4.1Å; W121-V407 HydrophobicContact CH2-CB 4Å; W121-V407 HydrophobicContact CH2-CG1 3.73Å; W121-V407 HydrophobicContact CZ2-CB 4.39Å; W121-V407 HydrophobicContact CZ2-CG1 4.21Å; W121-A409 HydrophobicContact CH2-CB 4.23Å; W121-A409 HydrophobicContact CZ2-CB 3.41Å; W121-A409 VanDerWaalsContact CZ2-CB 3.41Å
122	H	95.4	Very high	94.5	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	19%	0.188	C	C	.	.			trans	-65.9	128.1	171.7	-168.9	-91.8	0	0	0	110	T124 H125 T128 F166 S171	H122-T124 PolarHBondContact CE1-OG1 2.95Å; H122-T124 PolarHBondContact ND1-N 2.87Å; H122-T124 PolarHBondContact ND1-OG1 3.14Å; H122-T124 PolarHBondContact O-N 3.46Å; H122-H125 HydrophobicContact CB-CB 4.12Å; H122-H125 AromaticContact CE1-CD2 3.24Å; H122-H125 PolarHBondContact CE1-CD2 3.2Å; H122-H125 AromaticContact CE1-CG 3.72Å; H122-H125 AromaticContact CE1-NE2 3.9Å; H122-H125 WeakPolarHBondContact ND1-CB 3.44Å; H122-H125 AromaticContact ND1-CD2 3.41Å; H122-H125 PolarHBondContact ND1-CD2 2.78Å; H122-H125 AromaticContact ND1-CG 3.46Å; H122-H125 PolarHBondContact ND1-N 2.91Å; H122-H125 AromaticContact NE2-CD2 3.9Å; H122-H125 PolarHBondContact O-N 3.05Å; H122-T128 HydrophobicContact CB-CG2 4Å; H122-T128 VanDerWaalsContact CB-O 3.31Å; H122-T128 WeakPolarHBondContact CB-O 3.5Å; H122-T128 PolarHBondContact N-O 2.96Å; H122-F166 HydrophobicContact CB-CE2 4.43Å; H122-F166 HydrophobicContact CB-CZ 4.14Å; H122-F166 AromaticContact CD2-CE1 3.55Å; H122-F166 AromaticContact CD2-CZ 3.79Å; H122-S171 PolarHBondContact CE1-OG 2.95Å; H122-S171 VanDerWaalsContact NE2-CB 3.27Å; H122-S171 WeakPolarHBondContact NE2-CB 3.2Å; H122-S171 PolarHBondContact NE2-OG 2.9Å
123	P	91.6	Very high	94.7	Very high	65 Å²	65	35.2 Å²	35.2	42%	0.422	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.8	-170.7	-28	35.4	0	0	0	115.5	F166	P123-F166 HydrophobicContact CG-CB 3.74Å; P123-F166 HydrophobicContact CG-CD2 4.43Å; P123-F166 HydrophobicContact CG-CG 4.11Å
124	T	88.7	Confident	95	Very high	99 Å²	99	32.9 Å²	32.9	61%	0.607	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-2.8	-173.2	58.2	0	0	0	0	115	H122	H122-T124 PolarHBondContact CE1-OG1 2.95Å; H122-T124 PolarHBondContact ND1-N 2.87Å; H122-T124 PolarHBondContact ND1-OG1 3.14Å; H122-T124 PolarHBondContact O-N 3.46Å
125	H	91.3	Very high	94.9	Very high	88 Å²	88	28.5 Å²	28.5	41%	0.407	15%	0.152	S	C	.	.			trans	-121.7	109.7	-176.8	-70.6	-30.9	0	0	0	110.2	H122 T127 T128	H122-H125 HydrophobicContact CB-CB 4.12Å; H122-H125 AromaticContact CE1-CD2 3.24Å; H122-H125 PolarHBondContact CE1-CD2 3.2Å; H122-H125 AromaticContact CE1-CG 3.72Å; H122-H125 AromaticContact CE1-NE2 3.9Å; H122-H125 WeakPolarHBondContact ND1-CB 3.44Å; H122-H125 AromaticContact ND1-CD2 3.41Å; H122-H125 PolarHBondContact ND1-CD2 2.78Å; H122-H125 AromaticContact ND1-CG 3.46Å; H122-H125 PolarHBondContact ND1-N 2.91Å; H122-H125 AromaticContact NE2-CD2 3.9Å; H122-H125 PolarHBondContact O-N 3.05Å; H125-T127 PolarHBondContact O-N 2.94Å; H125-T128 WeakPolarHBondContact CB-OG1 3.48Å; H125-T128 PolarHBondContact O-N 3.43Å
126	P	92.3	Very high	94.8	Very high	64 Å²	64	26.5 Å²	26.5	42%	0.416	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.2	-170.6	29.6	-36.2	0	0	0	113.9	W121 Y143	W121-P126 VanDerWaalsContact CZ3-O 3.25Å; W121-P126 WeakPolarHBondContact CZ3-O 2.99Å; P126-Y143 PolarHBondContact O-OH 3.05Å
127	T	94	Very high	94.7	Very high	36 Å²	36	27.5 Å²	27.5	22%	0.221	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	1.9	178	59.2	0	0	0	0	113.9	H125 D142 Y143 D144	H125-T127 PolarHBondContact O-N 2.94Å; T127-D142 VanDerWaalsContact CB-OD1 3.28Å; T127-D142 WeakPolarHBondContact CB-OD1 3.38Å; T127-D142 WeakPolarHBondContact O-CA 3.3Å; T127-D142 PolarHBondContact OG1-OD1 3.34Å; T127-Y143 HydrophobicContact CG2-CE2 4.01Å; T127-Y143 WeakPolarHBondContact O-CD1 3.5Å; T127-Y143 WeakPolarHBondContact O-CE1 3.47Å; T127-Y143 PolarHBondContact O-N 2.96Å; T127-D144 HydrophobicContact CG2-CB 4.23Å
128	T	95.6	Very high	94.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126	-171.4	-50.7	0	0	0	0	112.1	H122 H125 L140 W141	H122-T128 HydrophobicContact CB-CG2 4Å; H122-T128 VanDerWaalsContact CB-O 3.31Å; H122-T128 WeakPolarHBondContact CB-O 3.5Å; H122-T128 PolarHBondContact N-O 2.96Å; H125-T128 WeakPolarHBondContact CB-OG1 3.48Å; H125-T128 PolarHBondContact O-N 3.43Å; T128-L140 HydrophobicContact CG2-CD1 3.56Å; T128-L140 HydrophobicContact CG2-CD2 4.47Å; T128-L140 HydrophobicContact CG2-CG 3.82Å; T128-W141 WeakPolarHBondContact CA-O 3.27Å
129	V	96.3	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.7	173.7	-67.9	0	0	0	0	111	L119 W121 V131 W141 A409	L119-V129 HydrophobicContact CD1-CB 4.36Å; W121-V129 HydrophobicContact CD2-CG1 3.66Å; W121-V129 HydrophobicContact CE3-CG1 3.48Å; W121-V129 VanDerWaalsContact CE3-CG1 3.48Å; W121-V129 HydrophobicContact CG-CG1 4.38Å; W121-V129 HydrophobicContact CH2-CG1 4.03Å; W121-V129 HydrophobicContact CZ2-CG1 4.2Å; W121-V129 HydrophobicContact CZ3-CG1 3.66Å; V129-V131 HydrophobicContact CB-CG2 4.38Å; V129-V131 HydrophobicContact CG2-CG2 4.05Å; V129-W141 HydrophobicContact CG2-CB 4.31Å; V129-W141 HydrophobicContact CG2-CE3 3.98Å; V129-W141 PolarHBondContact N-O 2.93Å; V129-W141 PolarHBondContact O-N 2.88Å; V129-A409 HydrophobicContact CG1-CB 4.07Å
130	A	96.8	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.2	162.9	0	0	0	0	0	109.2	E120 I139 L140 M164 F166 F188	E120-A130 PolarHBondContact N-O 3.36Å; E120-A130 PolarHBondContact O-N 3.35Å; E120-A130 VanDerWaalsContact O-O 3.11Å; A130-I139 CarbonylContact C-O 3.56Å; A130-I139 VanDerWaalsContact CA-O 3.3Å; A130-I139 WeakPolarHBondContact CA-O 3.42Å; A130-L140 HydrophobicContact CB-CD1 4.18Å; A130-M164 HydrophobicContact CB-CE 3.63Å; A130-M164 HydrophobicContact CB-SD 4.02Å; A130-M164 WeakPolarHBondContact O-CE 3.23Å; A130-F166 HydrophobicContact CB-CE2 3.64Å; A130-F166 HydrophobicContact CB-CZ 3.53Å; A130-F188 HydrophobicContact CB-CZ 4.28Å
131	V	97.3	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	-178.4	-167.2	0	0	0	0	109.5	F112 V116 S118 L119 V129 I138 I139 I416	F112-V131 HydrophobicContact CE2-CB 4.18Å; F112-V131 HydrophobicContact CE2-CG1 3.99Å; F112-V131 WeakPolarHBondContact CZ-O 3.29Å; V116-V131 HydrophobicContact CB-CG1 4.18Å; V116-V131 HydrophobicContact CG1-CG1 3.4Å; V116-V131 VanDerWaalsContact CG1-CG1 3.4Å; V116-V131 HydrophobicContact CG2-CG1 3.71Å; S118-V131 WeakPolarHBondContact O-CA 3.49Å; S118-V131 WeakPolarHBondContact O-CG1 3.42Å; L119-V131 HydrophobicContact CD1-CG2 3.77Å; V129-V131 HydrophobicContact CB-CG2 4.38Å; V129-V131 HydrophobicContact CG2-CG2 4.05Å; V131-I138 WeakPolarHBondContact O-CA 3.22Å; V131-I139 HydrophobicContact CB-CG2 4.03Å; V131-I139 HydrophobicContact CG2-CG2 4.48Å; V131-I139 PolarHBondContact N-O 3.37Å; V131-I139 PolarHBondContact O-N 2.83Å; V131-I416 HydrophobicContact CB-CD1 4.01Å; V131-I416 HydrophobicContact CB-CG1 4.42Å; V131-I416 HydrophobicContact CG1-CD1 4.22Å; V131-I416 HydrophobicContact CG1-CG1 4.12Å; V131-I416 HydrophobicContact CG2-CD1 3.66Å; V131-I416 HydrophobicContact CG2-CG1 4.06Å; V131-I416 HydrophobicContact CG2-CG2 4.26Å
132	G	96.7	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.9	179.1	0	0	0	0	0	112.4	T117 S118 D137	T117-G132 PolarHBondContact N-O 3.46Å; T117-G132 PolarHBondContact OG1-O 3.38Å; S118-G132 PolarHBondContact N-O 2.88Å; S118-G132 PolarHBondContact O-N 3.26Å; G132-D137 CarbonylContact C-O 3.59Å; G132-D137 WeakPolarHBondContact CA-O 3.31Å
133	S	96.2	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	161	-176.5	116.2	0	0	0	0	112.8	T117 G135 G136 D137 I161	T117-S133 PolarHBondContact OG1-O 2.88Å; S133-G135 PolarHBondContact O-N 2.71Å; S133-G135 VanDerWaalsContact O-N 3.09Å; S133-G135 WeakPolarHBondContact OG-CA 3.18Å; S133-G135 PolarHBondContact OG-N 2.76Å; S133-G136 PolarHBondContact O-N 3.04Å; S133-D137 PolarHBondContact N-O 2.71Å; S133-D137 PolarHBondContact OG-OD2 2.95Å; S133-I161 PolarHBondContact O-N 3.27Å; S133-I161 VanDerWaalsContact O-N 3.15Å
134	K	95.3	Very high	94.2	Very high	89 Å²	89	25.4 Å²	25.4	39%	0.387	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	4.3	169.8	-157.2	-132.9	172.5	-170.6	0	113.9	R114 R115 T117 F160	R114-K134 HydrophobicContact CB-CB 4.16Å; R115-K134 HydrophobicContact CG-CB 3.88Å; R115-K134 HydrophobicContact CG-CG 4.38Å; R115-K134 WeakPolarHBondContact O-CB 3.48Å; R115-K134 PolarHBondContact O-N 2.75Å; T117-K134 HydrophobicContact CG2-CB 3.74Å; T117-K134 HydrophobicContact CG2-CG 4.02Å; K134-F160 HydrophobicContact CB-CB 4.41Å; K134-F160 HydrophobicContact CG-CB 3.84Å
135	G	93.2	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-3	175.2	0	0	0	0	0	115.1	S133 D137 G154 G156 D159	S133-G135 PolarHBondContact O-N 2.71Å; S133-G135 VanDerWaalsContact O-N 3.09Å; S133-G135 WeakPolarHBondContact OG-CA 3.18Å; S133-G135 PolarHBondContact OG-N 2.76Å; G135-D137 VanDerWaalsContact C-N 3.34Å; G135-G154 WeakPolarHBondContact O-CA 3.5Å; G135-G156 VanDerWaalsContact CA-O 3.27Å; G135-G156 WeakPolarHBondContact CA-O 3.36Å; G135-G156 VanDerWaalsContact O-CA 3.28Å; G135-G156 WeakPolarHBondContact O-CA 3.47Å; G135-G156 PolarHBondContact O-N 3.08Å; G135-D159 CarbonylContact C-O 3.57Å; G135-D159 VanDerWaalsContact C-O 3.31Å
136	G	93	Very high	93.4	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	94.9	-5.9	-178.2	0	0	0	0	0	113.2	S133 D159	S133-G136 PolarHBondContact O-N 3.04Å; G136-D159 WeakPolarHBondContact CA-O 3.41Å; G136-D159 PolarHBondContact N-O 3.39Å
137	D	95	Very high	92.7	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	16%	0.161	C	C	.	.			trans	-70.3	139	-179.8	-36.7	-73.1	0	0	0	110.5	F112 G132 S133 G135 F151 I152 G154	F112-D137 HydrophobicContact CD1-CB 3.75Å; F112-D137 HydrophobicContact CE1-CB 3.58Å; G132-D137 CarbonylContact C-O 3.59Å; G132-D137 WeakPolarHBondContact CA-O 3.31Å; S133-D137 PolarHBondContact N-O 2.71Å; S133-D137 PolarHBondContact OG-OD2 2.95Å; G135-D137 VanDerWaalsContact C-N 3.34Å; D137-F151 HydrophobicContact CB-CE1 4.33Å; D137-F151 HydrophobicContact CB-CE2 4.26Å; D137-F151 HydrophobicContact CB-CZ 3.71Å; D137-I152 CarbonylContact C-O 3.58Å; D137-I152 VanDerWaalsContact CA-O 3.28Å; D137-I152 WeakPolarHBondContact CA-O 3.49Å; D137-G154 PolarHBondContact OD1-N 3.37Å
138	I	95.9	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.4	175.1	-49.9	-175.7	0	0	0	108.9	V131 I152 I161 M164 V176 F188	V131-I138 WeakPolarHBondContact O-CA 3.22Å; I138-I152 HydrophobicContact CB-CB 4.38Å; I138-I152 PolarHBondContact N-O 3.5Å; I138-I152 PolarHBondContact O-N 3.38Å; I138-I161 HydrophobicContact CD1-CD1 4.03Å; I138-I161 HydrophobicContact CD1-CG1 4.46Å; I138-I161 HydrophobicContact CG1-CD1 4.06Å; I138-I161 HydrophobicContact CG1-CG1 4.15Å; I138-M164 HydrophobicContact CD1-SD 4.1Å; I138-M164 HydrophobicContact CG2-CE 4.39Å; I138-M164 HydrophobicContact CG2-SD 3.68Å; I138-V176 HydrophobicContact CD1-CB 4.48Å; I138-V176 HydrophobicContact CD1-CG1 4.03Å; I138-V176 HydrophobicContact CD1-CG2 3.57Å; I138-F188 HydrophobicContact CG2-CE1 3.85Å; I138-F188 HydrophobicContact CG2-CZ 3.84Å
139	I	95.6	Very high	91.6	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.062	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.7	170.9	-163.2	172.8	0	0	0	109.8	P111 F112 A130 V131 W141 T149 S150 F151 I416	P111-I139 HydrophobicContact CB-CD1 3.66Å; P111-I139 HydrophobicContact CG-CD1 3.94Å; P111-I139 HydrophobicContact CG-CG2 4.06Å; F112-I139 HydrophobicContact CE1-CB 4.24Å; F112-I139 HydrophobicContact CE1-CG2 4.32Å; F112-I139 HydrophobicContact CE2-CG2 4.07Å; F112-I139 HydrophobicContact CZ-CB 3.9Å; F112-I139 HydrophobicContact CZ-CG2 3.54Å; A130-I139 CarbonylContact C-O 3.56Å; A130-I139 VanDerWaalsContact CA-O 3.3Å; A130-I139 WeakPolarHBondContact CA-O 3.42Å; V131-I139 HydrophobicContact CB-CG2 4.03Å; V131-I139 HydrophobicContact CG2-CG2 4.48Å; V131-I139 PolarHBondContact N-O 3.37Å; V131-I139 PolarHBondContact O-N 2.83Å; I139-W141 HydrophobicContact CD1-CB 4.49Å; I139-W141 HydrophobicContact CG1-CB 4.46Å; I139-T149 HydrophobicContact CD1-CG2 3.96Å; I139-T149 HydrophobicContact CG1-CG2 4.43Å; I139-S150 WeakPolarHBondContact CA-O 3.49Å; I139-F151 HydrophobicContact CB-CD2 4.22Å; I139-F151 HydrophobicContact CD1-CD2 4.49Å; I139-F151 HydrophobicContact CG1-CD2 4.29Å; I139-I416 HydrophobicContact CG2-CD1 4.16Å
140	L	95.6	Very high	91.3	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	111.5	160.4	-174.3	72.7	0	0	0	107.1	T128 A130 T149 S150 F166 F188	T128-L140 HydrophobicContact CG2-CD1 3.56Å; T128-L140 HydrophobicContact CG2-CD2 4.47Å; T128-L140 HydrophobicContact CG2-CG 3.82Å; A130-L140 HydrophobicContact CB-CD1 4.18Å; L140-T149 VanDerWaalsContact O-CA 3.29Å; L140-T149 WeakPolarHBondContact O-CA 3.41Å; L140-S150 PolarHBondContact N-O 2.93Å; L140-S150 PolarHBondContact O-N 2.82Å; L140-S150 VanDerWaalsContact O-N 3.1Å; L140-F166 HydrophobicContact CD1-CE1 4.1Å; L140-F166 HydrophobicContact CD1-CZ 3.72Å; L140-F188 HydrophobicContact CB-CD1 3.77Å; L140-F188 HydrophobicContact CB-CD2 4.21Å; L140-F188 HydrophobicContact CB-CE1 3.81Å; L140-F188 HydrophobicContact CB-CE2 4.22Å; L140-F188 HydrophobicContact CB-CG 3.98Å; L140-F188 HydrophobicContact CB-CZ 4.03Å; L140-F188 HydrophobicContact CD1-CD2 4.29Å; L140-F188 HydrophobicContact CD1-CE2 4.03Å; L140-F188 HydrophobicContact CD1-CZ 4.4Å; L140-F188 HydrophobicContact CD2-CB 4.07Å; L140-F188 HydrophobicContact CD2-CD2 3.83Å; L140-F188 HydrophobicContact CD2-CE2 4.39Å; L140-F188 HydrophobicContact CD2-CG 3.9Å; L140-F188 HydrophobicContact CG-CD2 4.35Å; L140-F188 HydrophobicContact CG-CE2 4.46Å; L140-F188 HydrophobicContact CG-CG 4.46Å
141	W	95.2	Very high	91.1	Very high	29 Å²	29	44.1 Å²	44.1	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	-175	179.6	37.9	0	0	0	110.5	R107 A109 T128 V129 I139 T149 I416 I418	R107-W141 HydrophobicContact CB-CH2 4.14Å; R107-W141 HydrophobicContact CB-CZ2 4.5Å; A109-W141 HydrophobicContact CB-CD2 4.31Å; A109-W141 HydrophobicContact CB-CE3 4.17Å; A109-W141 HydrophobicContact CB-CH2 3.62Å; A109-W141 HydrophobicContact CB-CZ2 3.76Å; A109-W141 HydrophobicContact CB-CZ3 3.83Å; T128-W141 WeakPolarHBondContact CA-O 3.27Å; V129-W141 HydrophobicContact CG2-CB 4.31Å; V129-W141 HydrophobicContact CG2-CE3 3.98Å; V129-W141 PolarHBondContact N-O 2.93Å; V129-W141 PolarHBondContact O-N 2.88Å; I139-W141 HydrophobicContact CD1-CB 4.49Å; I139-W141 HydrophobicContact CG1-CB 4.46Å; W141-T149 HydrophobicContact CB-CG2 4.42Å; W141-T149 HydrophobicContact CG-CG2 4.34Å; W141-I416 HydrophobicContact CE3-CB 4.36Å; W141-I416 HydrophobicContact CE3-CD1 4.12Å; W141-I416 HydrophobicContact CE3-CG2 3.97Å; W141-I416 HydrophobicContact CZ3-CB 4.01Å; W141-I416 HydrophobicContact CZ3-CG2 3.71Å; W141-I418 HydrophobicContact CH2-CG1 4.06Å; W141-I418 HydrophobicContact CZ3-CD1 4.2Å; W141-I418 HydrophobicContact CZ3-CG1 3.81Å
142	D	94.4	Very high	90.9	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.4	162.3	-169.7	-22.7	0	0	0	107.8	T127 D144 K148	T127-D142 VanDerWaalsContact CB-OD1 3.28Å; T127-D142 WeakPolarHBondContact CB-OD1 3.38Å; T127-D142 WeakPolarHBondContact O-CA 3.3Å; T127-D142 PolarHBondContact OG1-OD1 3.34Å; D142-D144 VanDerWaalsContact C-N 3.32Å; D142-D144 PolarHBondContact O-N 3.17Å; D142-K148 HydrophobicContact CB-CB 4.23Å; D142-K148 HydrophobicContact CB-CD 3.81Å; D142-K148 HydrophobicContact CB-CG 4.08Å; D142-K148 PolarHBondContact N-O 2.87Å; D142-K148 WeakPolarHBondContact OD2-CD 3.47Å; D142-K148 WeakPolarHBondContact OD2-CE 3.44Å; D142-K148 IonicContact OD2-NZ 2.68Å; D142-K148 PolarHBondContact OD2-NZ 3.49Å
143	Y	91.6	Very high	90.6	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.027	27%	0.274	C	S	.	.	S	Bend	trans	-73.8	-24.1	-168.3	60.4	-113.2	0	0	0	113.4	H106 R107 W121 P126 T127 V407 I418	H106-Y143 AromaticContact CD2-CE2 3.93Å; H106-Y143 AromaticContact NE2-CD2 3.6Å; H106-Y143 AromaticContact NE2-CE2 3.52Å; R107-Y143 WeakPolarHBondContact CD-O 3.41Å; R107-Y143 PolarHBondContact NE-O 2.87Å; R107-Y143 PolarHBondContact NH1-O 2.9Å; W121-Y143 AromaticContact CH2-CE1 3.89Å; W121-Y143 HydrophobicContact CH2-CE1 3.89Å; W121-Y143 AromaticContact CZ3-CE1 3.92Å; W121-Y143 HydrophobicContact CZ3-CE1 3.92Å; P126-Y143 PolarHBondContact O-OH 3.05Å; T127-Y143 HydrophobicContact CG2-CE2 4.01Å; T127-Y143 WeakPolarHBondContact O-CD1 3.5Å; T127-Y143 WeakPolarHBondContact O-CE1 3.47Å; T127-Y143 PolarHBondContact O-N 2.96Å; Y143-V407 HydrophobicContact CE1-CG1 4.49Å; Y143-I418 HydrophobicContact CD1-CB 4.45Å; Y143-I418 HydrophobicContact CD1-CD1 3.6Å; Y143-I418 HydrophobicContact CD1-CG1 3.66Å; Y143-I418 HydrophobicContact CD1-CG2 4Å; Y143-I418 HydrophobicContact CD2-CG2 4.33Å; Y143-I418 HydrophobicContact CE1-CD1 3.97Å; Y143-I418 HydrophobicContact CE1-CG1 4.21Å; Y143-I418 HydrophobicContact CE1-CG2 3.76Å; Y143-I418 HydrophobicContact CE2-CG2 4.14Å; Y143-I418 HydrophobicContact CG-CD1 4.39Å; Y143-I418 HydrophobicContact CG-CG1 3.95Å; Y143-I418 HydrophobicContact CG-CG2 4.29Å
144	D	89.3	Confident	90.3	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	28%	0.281	C	S	.	.	S	Bend	trans	-89.1	-22.3	-177.8	-84.9	-28.9	0	0	0	114.3	H106 R107 T127 D142	H106-D144 IonicContact CE1-OD1 3.59Å; H106-D144 PolarHBondContact CE1-OD1 3.44Å; H106-D144 IonicContact NE2-OD1 3.74Å; H106-D144 PolarHBondContact NE2-OD1 3.34Å; H106-D144 IonicContact NE2-OD2 2.68Å; H106-D144 PolarHBondContact NE2-OD2 3.04Å; R107-D144 IonicContact CZ-OD1 3.36Å; R107-D144 VanDerWaalsContact CZ-OD1 3.28Å; R107-D144 IonicContact NE-OD1 2.71Å; R107-D144 PolarHBondContact NE-OD1 3.2Å; R107-D144 PolarHBondContact NH2-O 3.21Å; R107-D144 IonicContact NH2-OD1 2.68Å; R107-D144 PolarHBondContact NH2-OD1 2.93Å; T127-D144 HydrophobicContact CG2-CB 4.23Å; D142-D144 VanDerWaalsContact C-N 3.32Å; D142-D144 PolarHBondContact O-N 3.17Å
145	V	88.4	Confident	89.9	Confident	75 Å²	75	57.1 Å²	57.1	46%	0.455	29%	0.293	S	S	.	.	S	Bend	trans	-99	111.6	177.7	-175.3	0	0	0	0	110.3	K148	V145-K148 HydrophobicContact CB-CB 3.94Å; V145-K148 HydrophobicContact CB-CD 4.16Å; V145-K148 HydrophobicContact CG1-CB 3.73Å; V145-K148 HydrophobicContact CG1-CD 4.15Å; V145-K148 HydrophobicContact CG2-CD 4.46Å; V145-K148 PolarHBondContact O-N 3.13Å
146	L	74.2	Confident	89.7	Confident	132 Å²	132	58.1 Å²	58.1	69%	0.691	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	143.2	174.5	-90.6	82.1	0	0	0	111.3	K148	L146-K148 PolarHBondContact O-N 2.85Å
147	N	77.1	Confident	89.3	Confident	155 Å²	155	62.4 Å²	62.4	83%	0.829	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	4	176.8	-52.5	-14	0	0	0	115.9	T149	N147-T149 PolarHBondContact O-N 3.03Å; N147-T149 VanDerWaalsContact O-N 3.13Å
148	K	80.1	Confident	88.8	Confident	103 Å²	103	63.7 Å²	63.7	45%	0.448	36%	0.357	S	S	.	.			trans	-86.5	77.8	173	-172.7	-179.1	163.6	-162.3	0	110.6	D142 V145 L146	D142-K148 HydrophobicContact CB-CB 4.23Å; D142-K148 HydrophobicContact CB-CD 3.81Å; D142-K148 HydrophobicContact CB-CG 4.08Å; D142-K148 PolarHBondContact N-O 2.87Å; D142-K148 WeakPolarHBondContact OD2-CD 3.47Å; D142-K148 WeakPolarHBondContact OD2-CE 3.44Å; D142-K148 IonicContact OD2-NZ 2.68Å; D142-K148 PolarHBondContact OD2-NZ 3.49Å; V145-K148 HydrophobicContact CB-CB 3.94Å; V145-K148 HydrophobicContact CB-CD 4.16Å; V145-K148 HydrophobicContact CG1-CB 3.73Å; V145-K148 HydrophobicContact CG1-CD 4.15Å; V145-K148 HydrophobicContact CG2-CD 4.46Å; V145-K148 PolarHBondContact O-N 3.13Å; L146-K148 PolarHBondContact O-N 2.85Å
149	T	87	Confident	88.5	Confident	73 Å²	73	64.3 Å²	64.3	45%	0.448	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.8	176.9	48.5	0	0	0	0	111.4	I139 L140 W141 N147	I139-T149 HydrophobicContact CD1-CG2 3.96Å; I139-T149 HydrophobicContact CG1-CG2 4.43Å; L140-T149 VanDerWaalsContact O-CA 3.29Å; L140-T149 WeakPolarHBondContact O-CA 3.41Å; W141-T149 HydrophobicContact CB-CG2 4.42Å; W141-T149 HydrophobicContact CG-CG2 4.34Å; N147-T149 PolarHBondContact O-N 3.03Å; N147-T149 VanDerWaalsContact O-N 3.13Å
150	S	90.5	Very high	88.3	Confident	44 Å²	44	66.3 Å²	66.3	31%	0.308	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.2	162	-62.2	0	0	0	0	108.9	I139 L140 F188	I139-S150 WeakPolarHBondContact CA-O 3.49Å; L140-S150 PolarHBondContact N-O 2.93Å; L140-S150 PolarHBondContact O-N 2.82Å; L140-S150 VanDerWaalsContact O-N 3.1Å; S150-F188 PolarHBondContact OG-O 3.24Å
151	F	92	Very high	88.4	Confident	102 Å²	102	65 Å²	65	45%	0.447	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.1	-179.5	-170.6	-86.8	0	0	0	109.9	F112 D137 I139 Q153	F112-F151 HydrophobicContact CD1-CE2 4.01Å; F112-F151 HydrophobicContact CD1-CZ 4.45Å; F112-F151 AromaticContact CE1-CE2 3.74Å; F112-F151 HydrophobicContact CE1-CE2 3.74Å; F112-F151 HydrophobicContact CE1-CZ 4.38Å; D137-F151 HydrophobicContact CB-CE1 4.33Å; D137-F151 HydrophobicContact CB-CE2 4.26Å; D137-F151 HydrophobicContact CB-CZ 3.71Å; I139-F151 HydrophobicContact CB-CD2 4.22Å; I139-F151 HydrophobicContact CD1-CD2 4.49Å; I139-F151 HydrophobicContact CG1-CD2 4.29Å; F151-Q153 HydrophobicContact CE1-CB 4.1Å
152	I	91.9	Very high	88.2	Confident	37 Å²	37	64.4 Å²	64.4	19%	0.19	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.7	173.1	-51.1	-179.2	0	0	0	106.4	D137 I138 Q186 F188	D137-I152 CarbonylContact C-O 3.58Å; D137-I152 VanDerWaalsContact CA-O 3.28Å; D137-I152 WeakPolarHBondContact CA-O 3.49Å; I138-I152 HydrophobicContact CB-CB 4.38Å; I138-I152 PolarHBondContact N-O 3.5Å; I138-I152 PolarHBondContact O-N 3.38Å; I152-Q186 HydrophobicContact CD1-CB 3.93Å; I152-F188 HydrophobicContact CD1-CD1 3.69Å; I152-F188 HydrophobicContact CD1-CE1 3.7Å; I152-F188 HydrophobicContact CG1-CD1 3.98Å; I152-F188 HydrophobicContact CG1-CE1 4.1Å
153	Q	91.7	Very high	88.1	Confident	164 Å²	164	64.5 Å²	64.5	77%	0.766	37%	0.367	S	S	*	.			trans	-83.4	133.7	-177.2	-175.6	177.3	-4.6	0	0	111	F151	F151-Q153 HydrophobicContact CE1-CB 4.1Å
154	G	89	Confident	88.3	Confident	15 Å²	15	64.3 Å²	64.3	16%	0.155	37%	0.367	C	S	.	.			trans	-83	172.9	174.9	0	0	0	0	0	113.7	G135 D137 G156	G135-G154 WeakPolarHBondContact O-CA 3.5Å; D137-G154 PolarHBondContact OD1-N 3.37Å; G154-G156 PolarHBondContact O-N 2.76Å
155	K	88	Confident	88.6	Confident	146 Å²	146	65.4 Å²	65.4	64%	0.635	37%	0.37	S	S	*	.			trans	-76.8	-6.6	173.5	-59.8	170.2	176.1	177.7	0	113	D159 D180	K155-D159 HydrophobicContact CB-CB 3.87Å; K155-D159 VanDerWaalsContact CB-OD2 3.31Å; K155-D159 WeakPolarHBondContact CB-OD2 3.4Å; K155-D159 WeakPolarHBondContact CG-OD2 3.33Å; K155-D159 PolarHBondContact N-OD2 3.16Å; K155-D180 HydrophobicContact CD-CB 4.1Å; K155-D180 WeakPolarHBondContact CE-OD2 3.26Å; K155-D180 IonicContact NZ-OD2 3.93Å; K155-D180 PolarHBondContact NZ-OD2 2.75Å
156	G	87.3	Confident	88.9	Confident	20 Å²	20	62.2 Å²	62.2	21%	0.206	35%	0.35	C	S	.	.			trans	92.3	-105.4	171.3	0	0	0	0	0	113.8	G135 G154 G158	G135-G156 VanDerWaalsContact CA-O 3.27Å; G135-G156 WeakPolarHBondContact CA-O 3.36Å; G135-G156 VanDerWaalsContact O-CA 3.28Å; G135-G156 WeakPolarHBondContact O-CA 3.47Å; G135-G156 PolarHBondContact O-N 3.08Å; G154-G156 PolarHBondContact O-N 2.76Å; G156-G158 PolarHBondContact O-N 3.26Å
157	A	85.7	Confident	89.7	Confident	93 Å²	93	56.8 Å²	56.8	77%	0.769	32%	0.322	S	S	*	.	S	Bend	trans	-76.7	111	-171.1	0	0	0	0	0	111.6
158	G	83.9	Confident	90.1	Very high	52 Å²	52	52.6 Å²	52.6	54%	0.536	30%	0.304	S	S	.	.	S	Bend	trans	105	-27.4	176.4	0	0	0	0	0	114.2	G156 F160	G156-G158 PolarHBondContact O-N 3.26Å; G158-F160 WeakPolarHBondContact O-CD1 3.32Å; G158-F160 PolarHBondContact O-N 2.99Å
159	D	89.4	Confident	90.4	Very high	14 Å²	14	55.7 Å²	55.7	8%	0.075	31%	0.313	C	S	.	.			trans	-76.1	48.9	-177.2	-172.5	25.8	0	0	0	113.6	G135 G136 K155 S178 D180	G135-D159 CarbonylContact C-O 3.57Å; G135-D159 VanDerWaalsContact C-O 3.31Å; G136-D159 WeakPolarHBondContact CA-O 3.41Å; G136-D159 PolarHBondContact N-O 3.39Å; K155-D159 HydrophobicContact CB-CB 3.87Å; K155-D159 VanDerWaalsContact CB-OD2 3.31Å; K155-D159 WeakPolarHBondContact CB-OD2 3.4Å; K155-D159 WeakPolarHBondContact CG-OD2 3.33Å; K155-D159 PolarHBondContact N-OD2 3.16Å; D159-S178 PolarHBondContact O-OG 2.7Å; D159-S178 WeakPolarHBondContact OD1-CB 3.29Å; D159-S178 PolarHBondContact OD1-OG 3.12Å; D159-D180 HydrophobicContact CB-CB 4.36Å; D159-D180 WeakPolarHBondContact OD1-CB 3.3Å
160	F	93.1	Very high	90.5	Very high	53 Å²	53	55 Å²	55	23%	0.232	31%	0.306	C	S	.	.			trans	-73.3	137.2	-175.3	73	-86.8	0	0	0	112.1	K134 G158 G162 S178 G179 W212	K134-F160 HydrophobicContact CB-CB 4.41Å; K134-F160 HydrophobicContact CG-CB 3.84Å; G158-F160 WeakPolarHBondContact O-CD1 3.32Å; G158-F160 PolarHBondContact O-N 2.99Å; F160-G162 PolarHBondContact O-N 3.04Å; F160-G162 VanDerWaalsContact O-N 3.08Å; F160-S178 CarbonylContact O-C 3.5Å; F160-S178 WeakPolarHBondContact O-CA 3.4Å; F160-S178 PolarHBondContact O-OG 3.39Å; F160-G179 PolarHBondContact O-N 3.48Å; F160-W212 AromaticContact CE1-CD1 3.91Å; F160-W212 AromaticContact CE1-NE1 3.82Å; F160-W212 AromaticContact CZ-CD1 3.56Å; F160-W212 AromaticContact CZ-NE1 3.44Å
161	I	95.9	Very high	90.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	109.8	173.1	-54.3	-57.1	0	0	0	109.2	T117 S133 I138 M164 V176	T117-I161 VanDerWaalsContact CB-O 3.24Å; T117-I161 WeakPolarHBondContact CB-O 3.33Å; T117-I161 PolarHBondContact OG1-O 3.43Å; S133-I161 PolarHBondContact O-N 3.27Å; S133-I161 VanDerWaalsContact O-N 3.15Å; I138-I161 HydrophobicContact CD1-CD1 4.03Å; I138-I161 HydrophobicContact CD1-CG1 4.46Å; I138-I161 HydrophobicContact CG1-CD1 4.06Å; I138-I161 HydrophobicContact CG1-CG1 4.15Å; I161-M164 HydrophobicContact CG2-CB 4.37Å; I161-V176 HydrophobicContact CD1-CG1 3.65Å; I161-V176 HydrophobicContact CG2-CG1 4.41Å
162	G	92	Very high	90.3	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-40.2	177.3	0	0	0	0	0	112.7	F160 A177 C214	F160-G162 PolarHBondContact O-N 3.04Å; F160-G162 VanDerWaalsContact O-N 3.08Å; G162-A177 PolarHBondContact N-O 3.03Å; G162-C214 CarbonylContact C-O 3.59Å
163	G	93.1	Very high	90.4	Very high	9 Å²	9	51.3 Å²	51.3	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	155	173.3	0	0	0	0	0	112.1	A177	G163-A177 PolarHBondContact N-O 3.01Å; G163-A177 PolarHBondContact O-N 3.29Å
164	M	95.1	Very high	90.5	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.3	178.5	178.9	170.5	55.4	0	0	109	E120 A130 I138 I161 V174 F175	E120-M164 HydrophobicContact CB-CE 4.38Å; E120-M164 HydrophobicContact CG-CB 4.49Å; E120-M164 HydrophobicContact CG-CE 4.38Å; E120-M164 VanDerWaalsContact CG-O 3.3Å; E120-M164 WeakPolarHBondContact CG-O 3.48Å; A130-M164 HydrophobicContact CB-CE 3.63Å; A130-M164 HydrophobicContact CB-SD 4.02Å; A130-M164 WeakPolarHBondContact O-CE 3.23Å; I138-M164 HydrophobicContact CD1-SD 4.1Å; I138-M164 HydrophobicContact CG2-CE 4.39Å; I138-M164 HydrophobicContact CG2-SD 3.68Å; I161-M164 HydrophobicContact CG2-CB 4.37Å; M164-V174 HydrophobicContact CG-CB 4.08Å; M164-V174 HydrophobicContact CG-CG1 4.12Å; M164-V174 HydrophobicContact SD-CB 4.33Å; M164-V174 HydrophobicContact SD-CG1 4.15Å; M164-V174 HydrophobicContact SD-CG2 4.43Å; M164-F175 CarbonylContact C-O 3.59Å; M164-F175 VanDerWaalsContact CA-O 3.29Å; M164-F175 WeakPolarHBondContact CA-O 3.39Å
165	K	94.9	Very high	90.8	Very high	64 Å²	64	43.1 Å²	43.1	28%	0.278	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	134.1	167.9	-167	173.1	-176.2	-177.3	0	110.3	F175 D217 V218	K165-F175 PolarHBondContact N-O 3.33Å; K165-F175 PolarHBondContact O-N 2.66Å; K165-D217 WeakPolarHBondContact CD-OD1 3.28Å; K165-D217 WeakPolarHBondContact CE-OD1 3.14Å; K165-D217 IonicContact NZ-OD1 3.13Å; K165-D217 PolarHBondContact NZ-OD1 3.18Å; K165-V218 HydrophobicContact CD-CB 4.25Å; K165-V218 PolarHBondContact NZ-O 2.84Å
166	F	94.9	Very high	91.2	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.7	172.3	-80.7	-84.8	0	0	0	111.4	E120 W121 H122 P123 A130 L140 P168 V174 F188	E120-F166 HydrophobicContact CB-CD2 4.28Å; E120-F166 HydrophobicContact CB-CE2 4.27Å; W121-F166 VanDerWaalsContact O-CD2 3.3Å; W121-F166 WeakPolarHBondContact O-CD2 3.48Å; W121-F166 VanDerWaalsContact O-CE2 3.31Å; W121-F166 WeakPolarHBondContact O-CE2 3.44Å; H122-F166 HydrophobicContact CB-CE2 4.43Å; H122-F166 HydrophobicContact CB-CZ 4.14Å; H122-F166 AromaticContact CD2-CE1 3.55Å; H122-F166 AromaticContact CD2-CZ 3.79Å; P123-F166 HydrophobicContact CG-CB 3.74Å; P123-F166 HydrophobicContact CG-CD2 4.43Å; P123-F166 HydrophobicContact CG-CG 4.11Å; A130-F166 HydrophobicContact CB-CE2 3.64Å; A130-F166 HydrophobicContact CB-CZ 3.53Å; L140-F166 HydrophobicContact CD1-CE1 4.1Å; L140-F166 HydrophobicContact CD1-CZ 3.72Å; F166-P168 WeakPolarHBondContact O-CD 3.4Å; F166-V174 HydrophobicContact CD1-CG1 3.72Å; F166-V174 HydrophobicContact CD2-CG1 4.43Å; F166-V174 HydrophobicContact CE1-CG1 3.95Å; F166-V174 HydrophobicContact CG-CG1 4Å; F166-V174 HydrophobicContact CZ-CG1 4.41Å; F166-F188 HydrophobicContact CE1-CE2 4.04Å
167	C	90.9	Very high	91.6	Very high	18 Å²	18	35.2 Å²	35.2	12%	0.122	21%	0.207	C	C	.	.			trans	-69.4	115.9	171.5	177.9	0	0	0	0	109.5	R169 D170 K173 F175	C167-R169 PolarHBondContact O-N 3.17Å; C167-D170 WeakPolarHBondContact CB-O 3.49Å; C167-D170 CarbonylContact O-C 3.57Å; C167-D170 VanDerWaalsContact O-C 3.28Å; C167-D170 PolarHBondContact O-N 2.97Å; C167-K173 HydrophobicContact CB-CB 4.01Å; C167-K173 WeakPolarHBondContact CB-O 3.13Å; C167-K173 PolarHBondContact N-O 2.93Å; C167-F175 HydrophobicContact CB-CD2 4.09Å; C167-F175 HydrophobicContact CB-CE2 3.58Å; C167-F175 HydrophobicContact CB-CZ 4.42Å
168	P	86.3	Confident	91.9	Very high	67 Å²	67	31 Å²	31	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.8	-171	-22.2	36.6	0	0	0	115	F166 V220	F166-P168 WeakPolarHBondContact O-CD 3.4Å; P168-V220 HydrophobicContact CB-CG2 3.44Å; P168-V220 VanDerWaalsContact CB-CG2 3.44Å; P168-V220 HydrophobicContact CG-CG2 3.55Å
169	R	86.3	Confident	92.2	Very high	169 Å²	169	28.9 Å²	28.9	64%	0.638	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-21.9	171.2	-76	-178.5	167.3	150.7	-1.9	113.5	C167 Q223	C167-R169 PolarHBondContact O-N 3.17Å; R169-Q223 VanDerWaalsContact NH2-NE2 3.14Å
170	D	88.6	Confident	92.1	Very high	59 Å²	59	29.3 Å²	29.3	32%	0.316	15%	0.152	S	C	.	.			trans	-157.7	93.1	-163.8	177.5	1.5	0	0	0	109.1	C167 S172 K173	C167-D170 WeakPolarHBondContact CB-O 3.49Å; C167-D170 CarbonylContact O-C 3.57Å; C167-D170 VanDerWaalsContact O-C 3.28Å; C167-D170 PolarHBondContact O-N 2.97Å; D170-S172 VanDerWaalsContact CG-OG 3.28Å; D170-S172 PolarHBondContact O-N 3.24Å; D170-S172 VanDerWaalsContact O-N 3.15Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 2.62Å; D170-S172 PolarHBondContact OD1-OG 2.98Å; D170-S172 PolarHBondContact OD2-OG 3.42Å; D170-K173 PolarHBondContact O-N 2.93Å; D170-K173 VanDerWaalsContact O-N 3.08Å; D170-K173 WeakPolarHBondContact OD2-CD 3.49Å; D170-K173 WeakPolarHBondContact OD2-CE 3.43Å; D170-K173 IonicContact OD2-NZ 2.75Å; D170-K173 PolarHBondContact OD2-NZ 2.93Å
171	S	89.3	Confident	91.9	Very high	38 Å²	38	26.8 Å²	26.8	27%	0.266	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1.5	-174.4	67.3	0	0	0	0	114.1	H122 K173	H122-S171 PolarHBondContact CE1-OG 2.95Å; H122-S171 VanDerWaalsContact NE2-CB 3.27Å; H122-S171 WeakPolarHBondContact NE2-CB 3.2Å; H122-S171 PolarHBondContact NE2-OG 2.9Å; S171-K173 PolarHBondContact O-N 3.47Å
172	S	90	Very high	91.7	Very high	13 Å²	13	27 Å²	27	9%	0.091	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.9	165.8	75.8	0	0	0	0	112.5	D170 S187 F188 E189	D170-S172 VanDerWaalsContact CG-OG 3.28Å; D170-S172 PolarHBondContact O-N 3.24Å; D170-S172 VanDerWaalsContact O-N 3.15Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 2.62Å; D170-S172 PolarHBondContact OD1-OG 2.98Å; D170-S172 PolarHBondContact OD2-OG 3.42Å; S172-S187 WeakPolarHBondContact O-CA 3.48Å; S172-S187 PolarHBondContact O-OG 3.02Å; S172-F188 PolarHBondContact O-N 2.56Å; S172-E189 VanDerWaalsContact CB-CD 3.47Å; S172-E189 VanDerWaalsContact CB-OE1 3.27Å; S172-E189 WeakPolarHBondContact CB-OE1 3.35Å
173	K	92.3	Very high	91.8	Very high	53 Å²	53	26.2 Å²	26.2	23%	0.23	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.4	-173.4	-68.4	175.7	-173.5	64.7	0	112.7	C167 D170 S171 V185 Q186	C167-K173 HydrophobicContact CB-CB 4.01Å; C167-K173 WeakPolarHBondContact CB-O 3.13Å; C167-K173 PolarHBondContact N-O 2.93Å; D170-K173 PolarHBondContact O-N 2.93Å; D170-K173 VanDerWaalsContact O-N 3.08Å; D170-K173 WeakPolarHBondContact OD2-CD 3.49Å; D170-K173 WeakPolarHBondContact OD2-CE 3.43Å; D170-K173 IonicContact OD2-NZ 2.75Å; D170-K173 PolarHBondContact OD2-NZ 2.93Å; S171-K173 PolarHBondContact O-N 3.47Å; K173-V185 HydrophobicContact CB-CG1 4.01Å; K173-V185 HydrophobicContact CD-CG1 4.14Å; K173-V185 HydrophobicContact CG-CG1 4.33Å; K173-Q186 CarbonylContact C-O 3.53Å; K173-Q186 VanDerWaalsContact CA-O 3.25Å; K173-Q186 WeakPolarHBondContact CA-O 3.37Å
174	V	94.9	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.2	171.3	-77.2	0	0	0	0	110.3	M164 F166 V176 V185 Q186 F188	M164-V174 HydrophobicContact CG-CB 4.08Å; M164-V174 HydrophobicContact CG-CG1 4.12Å; M164-V174 HydrophobicContact SD-CB 4.33Å; M164-V174 HydrophobicContact SD-CG1 4.15Å; M164-V174 HydrophobicContact SD-CG2 4.43Å; F166-V174 HydrophobicContact CD1-CG1 3.72Å; F166-V174 HydrophobicContact CD2-CG1 4.43Å; F166-V174 HydrophobicContact CE1-CG1 3.95Å; F166-V174 HydrophobicContact CG-CG1 4Å; F166-V174 HydrophobicContact CZ-CG1 4.41Å; V174-V176 HydrophobicContact CB-CG2 4.27Å; V174-V176 HydrophobicContact CG2-CG2 3.86Å; V174-V185 WeakPolarHBondContact O-CA 3.4Å; V174-Q186 HydrophobicContact CG2-CB 4.2Å; V174-Q186 PolarHBondContact N-O 3.04Å; V174-Q186 PolarHBondContact O-N 3.43Å; V174-F188 HydrophobicContact CB-CE2 4.44Å; V174-F188 HydrophobicContact CG1-CE2 3.68Å; V174-F188 HydrophobicContact CG1-CZ 4.07Å; V174-F188 HydrophobicContact CG2-CE2 3.92Å; V174-F188 HydrophobicContact CG2-CZ 3.85Å
175	F	95.3	Very high	91.8	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.035	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.8	163.4	-64.7	-84.8	0	0	0	108.4	M164 K165 C167 S184 V185 L196 V216 V218 L225 L239	M164-F175 CarbonylContact C-O 3.59Å; M164-F175 VanDerWaalsContact CA-O 3.29Å; M164-F175 WeakPolarHBondContact CA-O 3.39Å; K165-F175 PolarHBondContact N-O 3.33Å; K165-F175 PolarHBondContact O-N 2.66Å; C167-F175 HydrophobicContact CB-CD2 4.09Å; C167-F175 HydrophobicContact CB-CE2 3.58Å; C167-F175 HydrophobicContact CB-CZ 4.42Å; F175-S184 WeakPolarHBondContact CA-O 3.31Å; F175-V185 HydrophobicContact CD1-CG2 3.77Å; F175-V185 HydrophobicContact CE1-CG2 3.62Å; F175-L196 HydrophobicContact CD1-CD1 3.93Å; F175-L196 HydrophobicContact CE1-CD1 3.92Å; F175-V216 HydrophobicContact CB-CG2 4.14Å; F175-V218 HydrophobicContact CB-CG2 4.32Å; F175-V218 HydrophobicContact CD2-CG2 3.66Å; F175-V218 HydrophobicContact CE2-CG1 4.35Å; F175-V218 HydrophobicContact CE2-CG2 4.02Å; F175-V218 HydrophobicContact CG-CG2 3.93Å; F175-L225 HydrophobicContact CB-CD1 4.01Å; F175-L225 HydrophobicContact CD1-CD1 3.36Å; F175-L225 HydrophobicContact CE1-CD1 3.99Å; F175-L225 HydrophobicContact CG-CD1 3.85Å; F175-L239 HydrophobicContact CE1-CD2 4.41Å; F175-L239 HydrophobicContact CZ-CD2 4Å
176	V	95.8	Very high	91.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.8	-170.3	-179.1	0	0	0	0	109.2	I138 I161 V174 V183 S184 Q186	I138-V176 HydrophobicContact CD1-CB 4.48Å; I138-V176 HydrophobicContact CD1-CG1 4.03Å; I138-V176 HydrophobicContact CD1-CG2 3.57Å; I161-V176 HydrophobicContact CD1-CG1 3.65Å; I161-V176 HydrophobicContact CG2-CG1 4.41Å; V174-V176 HydrophobicContact CB-CG2 4.27Å; V174-V176 HydrophobicContact CG2-CG2 3.86Å; V176-V183 CarbonylContact O-C 3.52Å; V176-V183 VanDerWaalsContact O-CA 3.31Å; V176-V183 WeakPolarHBondContact O-CA 3.32Å; V176-S184 PolarHBondContact N-O 2.77Å; V176-S184 PolarHBondContact O-N 2.72Å; V176-Q186 HydrophobicContact CB-CG 4.47Å; V176-Q186 HydrophobicContact CG2-CB 4.45Å; V176-Q186 HydrophobicContact CG2-CG 4.02Å
177	A	95.4	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.3	167.1	0	0	0	0	0	109.2	G162 G163 V183 V216	G162-A177 PolarHBondContact N-O 3.03Å; G163-A177 PolarHBondContact N-O 3.01Å; G163-A177 PolarHBondContact O-N 3.29Å; A177-V183 HydrophobicContact CB-CG2 4.18Å; A177-V216 HydrophobicContact CB-CB 3.92Å; A177-V216 HydrophobicContact CB-CG1 4.44Å
178	S	93.5	Very high	91.5	Very high	3 Å²	3	25 Å²	25	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	161.1	-172.4	-153.5	0	0	0	0	114.3	D159 F160 D180 G181 T182	D159-S178 PolarHBondContact O-OG 2.7Å; D159-S178 WeakPolarHBondContact OD1-CB 3.29Å; D159-S178 PolarHBondContact OD1-OG 3.12Å; F160-S178 CarbonylContact O-C 3.5Å; F160-S178 WeakPolarHBondContact O-CA 3.4Å; F160-S178 PolarHBondContact O-OG 3.39Å; S178-D180 WeakPolarHBondContact CB-OD1 3.36Å; S178-D180 PolarHBondContact O-N 2.75Å; S178-G181 PolarHBondContact O-N 2.96Å; S178-T182 PolarHBondContact N-O 2.72Å
179	G	88.6	Confident	91.5	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.2	178.3	0	0	0	0	0	114.2	F160 G181	F160-G179 PolarHBondContact O-N 3.48Å; G179-G181 PolarHBondContact O-N 2.81Å; G179-G181 VanDerWaalsContact O-N 3.16Å
180	D	88	Confident	90.8	Very high	23 Å²	23	24.1 Å²	24.1	12%	0.123	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	5.6	170.9	82.2	-26.1	0	0	0	114.6	K155 D159 S178 T182 L209	K155-D180 HydrophobicContact CD-CB 4.1Å; K155-D180 WeakPolarHBondContact CE-OD2 3.26Å; K155-D180 IonicContact NZ-OD2 3.93Å; K155-D180 PolarHBondContact NZ-OD2 2.75Å; D159-D180 HydrophobicContact CB-CB 4.36Å; D159-D180 WeakPolarHBondContact OD1-CB 3.3Å; S178-D180 WeakPolarHBondContact CB-OD1 3.36Å; S178-D180 PolarHBondContact O-N 2.75Å; D180-T182 VanDerWaalsContact C-N 3.31Å; D180-T182 VanDerWaalsContact CG-OG1 3.31Å; D180-T182 PolarHBondContact O-N 2.83Å; D180-T182 WeakPolarHBondContact OD1-CB 3.15Å; D180-T182 PolarHBondContact OD1-N 3.5Å; D180-T182 PolarHBondContact OD1-OG1 2.81Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.45Å; D180-T182 PolarHBondContact OD2-OG1 2.93Å; D180-L209 VanDerWaalsContact O-CD1 3.27Å; D180-L209 WeakPolarHBondContact O-CD1 3.4Å
181	G	89.1	Confident	90.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	76.4	16	-179.8	0	0	0	0	0	114	S178 G179 R198 T199 Y213	S178-G181 PolarHBondContact O-N 2.96Å; G179-G181 PolarHBondContact O-N 2.81Å; G179-G181 VanDerWaalsContact O-N 3.16Å; G181-R198 CarbonylContact O-C 3.57Å; G181-R198 WeakPolarHBondContact O-CA 3.25Å; G181-T199 WeakPolarHBondContact CA-OG1 3.27Å; G181-T199 WeakPolarHBondContact O-CG2 3.23Å; G181-T199 PolarHBondContact O-N 3.19Å; G181-T199 PolarHBondContact O-OG1 2.87Å; G181-Y213 VanDerWaalsContact O-CE2 3.3Å; G181-Y213 WeakPolarHBondContact O-CE2 3.43Å
182	T	92.1	Very high	89.9	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.043	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.2	173.1	70.3	0	0	0	0	113.4	S178 D180 I195 S197 R198	S178-T182 PolarHBondContact N-O 2.72Å; D180-T182 VanDerWaalsContact C-N 3.31Å; D180-T182 VanDerWaalsContact CG-OG1 3.31Å; D180-T182 PolarHBondContact O-N 2.83Å; D180-T182 WeakPolarHBondContact OD1-CB 3.15Å; D180-T182 PolarHBondContact OD1-N 3.5Å; D180-T182 PolarHBondContact OD1-OG1 2.81Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.45Å; D180-T182 PolarHBondContact OD2-OG1 2.93Å; T182-I195 HydrophobicContact CG2-CD1 4.35Å; T182-I195 HydrophobicContact CG2-CG2 4.4Å; T182-S197 WeakPolarHBondContact CA-O 3.28Å; T182-R198 HydrophobicContact CG2-CB 4.4Å; T182-R198 HydrophobicContact CG2-CG 4.21Å
183	V	94.6	Very high	89.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.4	152.6	179.5	0	0	0	0	107.5	V176 A177 L196 S197 Y213 L225 T227	V176-V183 CarbonylContact O-C 3.52Å; V176-V183 VanDerWaalsContact O-CA 3.31Å; V176-V183 WeakPolarHBondContact O-CA 3.32Å; A177-V183 HydrophobicContact CB-CG2 4.18Å; V183-L196 PolarHBondContact O-N 3.2Å; V183-S197 PolarHBondContact N-O 2.78Å; V183-S197 PolarHBondContact O-N 3.18Å; V183-Y213 HydrophobicContact CG2-CD1 4.14Å; V183-Y213 HydrophobicContact CG2-CD2 3.6Å; V183-Y213 HydrophobicContact CG2-CE2 4.05Å; V183-Y213 HydrophobicContact CG2-CG 3.63Å; V183-L225 HydrophobicContact CG1-CD1 4.15Å; V183-L225 HydrophobicContact CG1-CD2 4.07Å; V183-T227 HydrophobicContact CG2-CG2 3.9Å
184	S	93.9	Very high	89.5	Confident	5 Å²	5	38.8 Å²	38.8	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.8	-175.9	56.9	0	0	0	0	112.5	F175 V176 Q186 Q194	F175-S184 WeakPolarHBondContact CA-O 3.31Å; V176-S184 PolarHBondContact N-O 2.77Å; V176-S184 PolarHBondContact O-N 2.72Å; S184-Q186 PolarHBondContact OG-NE2 3.44Å; S184-Q194 CarbonylContact C-O 3.55Å; S184-Q194 VanDerWaalsContact CA-O 3.23Å; S184-Q194 WeakPolarHBondContact CA-O 3.47Å; S184-Q194 WeakPolarHBondContact CB-O 3.31Å
185	V	94	Very high	89.3	Confident	15 Å²	15	42.4 Å²	42.4	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.4	161.7	-163.8	0	0	0	0	107.1	K173 V174 F175 S193 Q194 L196	K173-V185 HydrophobicContact CB-CG1 4.01Å; K173-V185 HydrophobicContact CD-CG1 4.14Å; K173-V185 HydrophobicContact CG-CG1 4.33Å; V174-V185 WeakPolarHBondContact O-CA 3.4Å; F175-V185 HydrophobicContact CD1-CG2 3.77Å; F175-V185 HydrophobicContact CE1-CG2 3.62Å; V185-S193 CarbonylContact O-C 3.52Å; V185-S193 VanDerWaalsContact O-CA 3.26Å; V185-S193 WeakPolarHBondContact O-CA 3.29Å; V185-S193 WeakPolarHBondContact O-CB 3.46Å; V185-Q194 HydrophobicContact CB-CB 4.32Å; V185-Q194 HydrophobicContact CG2-CB 4.5Å; V185-Q194 PolarHBondContact N-O 3.38Å; V185-Q194 PolarHBondContact O-N 2.96Å; V185-L196 HydrophobicContact CG2-CD1 3.75Å; V185-L196 HydrophobicContact CG2-CD2 4.04Å; V185-L196 HydrophobicContact CG2-CG 3.91Å
186	Q	92.9	Very high	89.1	Confident	28 Å²	28	42.8 Å²	42.8	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.1	178.1	-52.2	-174.9	2.7	0	0	109.3	I152 K173 V174 V176 S184	I152-Q186 HydrophobicContact CD1-CB 3.93Å; K173-Q186 CarbonylContact C-O 3.53Å; K173-Q186 VanDerWaalsContact CA-O 3.25Å; K173-Q186 WeakPolarHBondContact CA-O 3.37Å; V174-Q186 HydrophobicContact CG2-CB 4.2Å; V174-Q186 PolarHBondContact N-O 3.04Å; V174-Q186 PolarHBondContact O-N 3.43Å; V176-Q186 HydrophobicContact CB-CG 4.47Å; V176-Q186 HydrophobicContact CG2-CB 4.45Å; V176-Q186 HydrophobicContact CG2-CG 4.02Å; S184-Q186 PolarHBondContact OG-NE2 3.44Å
187	S	92.3	Very high	88.9	Confident	11 Å²	11	43.6 Å²	43.6	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.7	-178.3	-179	0	0	0	0	111.4	S172 E189	S172-S187 WeakPolarHBondContact O-CA 3.48Å; S172-S187 PolarHBondContact O-OG 3.02Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 PolarHBondContact OG-N 2.93Å
188	F	88.7	Confident	88.6	Confident	19 Å²	19	50.3 Å²	50.3	8%	0.083	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.9	175.7	-62.7	-63.8	0	0	0	113.9	A130 I138 L140 S150 I152 F166 S172 V174	A130-F188 HydrophobicContact CB-CZ 4.28Å; I138-F188 HydrophobicContact CG2-CE1 3.85Å; I138-F188 HydrophobicContact CG2-CZ 3.84Å; L140-F188 HydrophobicContact CB-CD1 3.77Å; L140-F188 HydrophobicContact CB-CD2 4.21Å; L140-F188 HydrophobicContact CB-CE1 3.81Å; L140-F188 HydrophobicContact CB-CE2 4.22Å; L140-F188 HydrophobicContact CB-CG 3.98Å; L140-F188 HydrophobicContact CB-CZ 4.03Å; L140-F188 HydrophobicContact CD1-CD2 4.29Å; L140-F188 HydrophobicContact CD1-CE2 4.03Å; L140-F188 HydrophobicContact CD1-CZ 4.4Å; L140-F188 HydrophobicContact CD2-CB 4.07Å; L140-F188 HydrophobicContact CD2-CD2 3.83Å; L140-F188 HydrophobicContact CD2-CE2 4.39Å; L140-F188 HydrophobicContact CD2-CG 3.9Å; L140-F188 HydrophobicContact CG-CD2 4.35Å; L140-F188 HydrophobicContact CG-CE2 4.46Å; L140-F188 HydrophobicContact CG-CG 4.46Å; S150-F188 PolarHBondContact OG-O 3.24Å; I152-F188 HydrophobicContact CD1-CD1 3.69Å; I152-F188 HydrophobicContact CD1-CE1 3.7Å; I152-F188 HydrophobicContact CG1-CD1 3.98Å; I152-F188 HydrophobicContact CG1-CE1 4.1Å; F166-F188 HydrophobicContact CE1-CE2 4.04Å; S172-F188 PolarHBondContact O-N 2.56Å; V174-F188 HydrophobicContact CB-CE2 4.44Å; V174-F188 HydrophobicContact CG1-CE2 3.68Å; V174-F188 HydrophobicContact CG1-CZ 4.07Å; V174-F188 HydrophobicContact CG2-CE2 3.92Å; V174-F188 HydrophobicContact CG2-CZ 3.85Å
189	E	86.6	Confident	88.3	Confident	143 Å²	143	50.2 Å²	50.2	67%	0.668	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.7	-179.5	-64	178.3	175.8	0	0	113.1	S172 S187	S172-E189 VanDerWaalsContact CB-CD 3.47Å; S172-E189 VanDerWaalsContact CB-OE1 3.27Å; S172-E189 WeakPolarHBondContact CB-OE1 3.35Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 PolarHBondContact OG-N 2.93Å
190	G	71.8	Confident	87.9	Confident	74 Å²	74	53.5 Å²	53.5	76%	0.763	29%	0.289	S	S	*	.	S	Bend	trans	81.3	7.9	177.8	0	0	0	0	0	115.4
191	L	79.1	Confident	87.3	Confident	97 Å²	97	58.1 Å²	58.1	51%	0.508	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-65.5	146.8	168.3	-62.8	170.8	0	0	0	110.6
192	Q	78.4	Confident	86.1	Confident	193 Å²	193	59 Å²	59	90%	0.902	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-58.2	141	176.4	-72.9	-173.1	-16.7	0	0	111.7
193	S	84.6	Confident	84.4	Confident	76 Å²	76	62.4 Å²	62.4	53%	0.531	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-74.1	132.8	176.8	47.6	0	0	0	0	111.5	V185	V185-S193 CarbonylContact O-C 3.52Å; V185-S193 VanDerWaalsContact O-CA 3.26Å; V185-S193 WeakPolarHBondContact O-CA 3.29Å; V185-S193 WeakPolarHBondContact O-CB 3.46Å
194	Q	89.4	Confident	82.7	Confident	105 Å²	105	68.4 Å²	68.4	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121	177.3	-178.4	-178	-6.8	0	0	109.1	S184 V185 L196	S184-Q194 CarbonylContact C-O 3.55Å; S184-Q194 VanDerWaalsContact CA-O 3.23Å; S184-Q194 WeakPolarHBondContact CA-O 3.47Å; S184-Q194 WeakPolarHBondContact CB-O 3.31Å; V185-Q194 HydrophobicContact CB-CB 4.32Å; V185-Q194 HydrophobicContact CG2-CB 4.5Å; V185-Q194 PolarHBondContact N-O 3.38Å; V185-Q194 PolarHBondContact O-N 2.96Å; Q194-L196 HydrophobicContact CG-CD2 4.26Å
195	I	91.9	Very high	80.7	Confident	76 Å²	76	76 Å²	76	39%	0.39	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.6	172.8	-59.5	178.7	0	0	0	108.5	T182 S197 R198	T182-I195 HydrophobicContact CG2-CD1 4.35Å; T182-I195 HydrophobicContact CG2-CG2 4.4Å; I195-S197 WeakPolarHBondContact CG2-O 3.24Å; I195-R198 VanDerWaalsContact CD1-NH2 3.29Å; I195-R198 HydrophobicContact CG2-CB 4.45Å
196	L	91.1	Very high	78.8	Confident	16 Å²	16	83.4 Å²	83.4	8%	0.084	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-33.7	176.5	-58.9	179.2	0	0	0	111.8	F175 V183 V185 Q194 L225	F175-L196 HydrophobicContact CD1-CD1 3.93Å; F175-L196 HydrophobicContact CE1-CD1 3.92Å; V183-L196 PolarHBondContact O-N 3.2Å; V185-L196 HydrophobicContact CG2-CD1 3.75Å; V185-L196 HydrophobicContact CG2-CD2 4.04Å; V185-L196 HydrophobicContact CG2-CG 3.91Å; Q194-L196 HydrophobicContact CG-CD2 4.26Å; L196-L225 HydrophobicContact CD1-CD1 3.99Å
197	S	89.9	Confident	77.1	Confident	16 Å²	16	88.3 Å²	88.3	11%	0.112	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.1	174.3	-166.7	0	0	0	0	111	T182 V183 I195 Y213	T182-S197 WeakPolarHBondContact CA-O 3.28Å; V183-S197 PolarHBondContact N-O 2.78Å; V183-S197 PolarHBondContact O-N 3.18Å; I195-S197 WeakPolarHBondContact CG2-O 3.24Å; S197-Y213 PolarHBondContact OG-OH 2.96Å; S197-Y213 VanDerWaalsContact OG-OH 3.08Å
198	R	90.8	Very high	75.4	Confident	141 Å²	141	94.5 Å²	94.5	53%	0.532	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.4	173.3	-178.1	-179.7	-69.1	173.1	0.4	109.2	G181 T182 I195	G181-R198 CarbonylContact O-C 3.57Å; G181-R198 WeakPolarHBondContact O-CA 3.25Å; T182-R198 HydrophobicContact CG2-CB 4.4Å; T182-R198 HydrophobicContact CG2-CG 4.21Å; I195-R198 VanDerWaalsContact CD1-NH2 3.29Å; I195-R198 HydrophobicContact CG2-CB 4.45Å
199	T	87.1	Confident	74.2	Confident	1 Å²	1	95.4 Å²	95.4	1%	0.006	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-72.7	144.9	171.2	59	0	0	0	0	110.9	G181 D201 Y211 Y213	G181-T199 WeakPolarHBondContact CA-OG1 3.27Å; G181-T199 WeakPolarHBondContact O-CG2 3.23Å; G181-T199 PolarHBondContact O-N 3.19Å; G181-T199 PolarHBondContact O-OG1 2.87Å; T199-D201 PolarHBondContact O-N 3.35Å; T199-Y211 HydrophobicContact CG2-CD1 4.48Å; T199-Y211 HydrophobicContact CG2-CD2 3.43Å; T199-Y211 VanDerWaalsContact CG2-CD2 3.43Å; T199-Y211 HydrophobicContact CG2-CE1 4.29Å; T199-Y211 HydrophobicContact CG2-CE2 3.21Å; T199-Y211 HydrophobicContact CG2-CG 4.08Å; T199-Y211 WeakPolarHBondContact CG2-O 3.46Å; T199-Y211 PolarHBondContact OG1-O 3.02Å; T199-Y213 HydrophobicContact CG2-CD2 4.1Å; T199-Y213 HydrophobicContact CG2-CE2 3.54Å
200	P	80.3	Confident	73.6	Confident	78 Å²	78	92.4 Å²	92.4	51%	0.506	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-58	133.8	173.2	-23.5	33.8	0	0	0	112.4	Y211	P200-Y211 WeakPolarHBondContact CD-OH 3.27Å
201	D	74.3	Confident	74.3	Confident	119 Å²	119	89.8 Å²	89.8	64%	0.636	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	136	166.5	-46.6	-48.4	0	0	0	108.3	T199 D208	T199-D201 PolarHBondContact O-N 3.35Å; D201-D208 CarbonylContact C-O 3.56Å; D201-D208 WeakPolarHBondContact CA-O 3.21Å
202	C	63.7	Low	74.9	Confident	20 Å²	20	89.3 Å²	89.3	14%	0.135	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-9.7	-168	73.1	0	0	0	0	116.3	H204 H207 D208 L209 C210	C202-H204 PolarHBondContact O-CD2 3.48Å; C202-H204 PolarHBondContact O-N 3.03Å; C202-H204 VanDerWaalsContact O-N 3.14Å; C202-H207 PolarHBondContact SG-O 3.25Å; C202-D208 PolarHBondContact N-O 3.43Å; C202-L209 VanDerWaalsContact SG-C 3.6Å; C202-C210 HydrophobicContact CB-CB 3.9Å; C202-C210 WeakPolarHBondContact CB-SG 3.45Å
203	G	56.1	Low	75.6	Confident	77 Å²	77	80.2 Å²	80.2	79%	0.794	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.7	22.6	175.6	0	0	0	0	0	114.5
204	H	59.8	Low	76.1	Confident	127 Å²	127	77.1 Å²	77.1	59%	0.588	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.4	176.3	-66.5	176.6	0	0	0	109.9	C202 H206 H207	C202-H204 PolarHBondContact O-CD2 3.48Å; C202-H204 PolarHBondContact O-N 3.03Å; C202-H204 VanDerWaalsContact O-N 3.14Å; H204-H206 PolarHBondContact O-N 3.23Å; H204-H207 PolarHBondContact O-N 3.39Å
205	D	51.8	Low	76.3	Confident	163 Å²	163	72.3 Å²	72.3	87%	0.872	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-8.2	-174	-55.4	-53.7	0	0	0	115.9
206	H	54.3	Low	76.4	Confident	171 Å²	171	69.1 Å²	69.1	79%	0.792	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-1.9	-173.8	-65.8	0.4	0	0	0	114.1	H204	H204-H206 PolarHBondContact O-N 3.23Å
207	H	57.6	Low	76.6	Confident	131 Å²	131	68.8 Å²	68.8	61%	0.606	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	134.3	176	-74.3	-45.1	0	0	0	110.2	C202 H204	C202-H207 PolarHBondContact SG-O 3.25Å; H204-H207 PolarHBondContact O-N 3.39Å
208	D	57.1	Low	76.8	Confident	141 Å²	141	68.3 Å²	68.3	75%	0.754	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	-31.5	177.1	-49.3	-66.7	0	0	0	111.8	D201 C202	D201-D208 CarbonylContact C-O 3.56Å; D201-D208 WeakPolarHBondContact CA-O 3.21Å; C202-D208 PolarHBondContact N-O 3.43Å
209	L	62.3	Low	76.8	Confident	39 Å²	39	62 Å²	62	20%	0.204	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	-166.5	-59.1	165.6	0	0	0	112.5	D180 C202 Y211	D180-L209 VanDerWaalsContact O-CD1 3.27Å; D180-L209 WeakPolarHBondContact O-CD1 3.4Å; C202-L209 VanDerWaalsContact SG-C 3.6Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.93Å
210	C	73.4	Confident	76.7	Confident	80 Å²	80	65 Å²	65	54%	0.541	36%	0.358	S	S	.	.	S	Bend	trans	-67	-33.5	178.7	-99.2	0	0	0	0	112.6	C202	C202-C210 HydrophobicContact CB-CB 3.9Å; C202-C210 WeakPolarHBondContact CB-SG 3.45Å
211	Y	87.5	Confident	77	Confident	19 Å²	19	64.8 Å²	64.8	8%	0.075	36%	0.359	C	S	.	.			trans	-162.6	172.2	-176	62.5	-83.2	0	0	0	109.4	T199 P200 L209 D229 S230 T231 R233	T199-Y211 HydrophobicContact CG2-CD1 4.48Å; T199-Y211 HydrophobicContact CG2-CD2 3.43Å; T199-Y211 VanDerWaalsContact CG2-CD2 3.43Å; T199-Y211 HydrophobicContact CG2-CE1 4.29Å; T199-Y211 HydrophobicContact CG2-CE2 3.21Å; T199-Y211 HydrophobicContact CG2-CG 4.08Å; T199-Y211 WeakPolarHBondContact CG2-O 3.46Å; T199-Y211 PolarHBondContact OG1-O 3.02Å; P200-Y211 WeakPolarHBondContact CD-OH 3.27Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.93Å; Y211-D229 HydrophobicContact CD2-CB 3.88Å; Y211-D229 WeakPolarHBondContact CD2-OD2 3.5Å; Y211-D229 HydrophobicContact CE2-CB 4.32Å; Y211-D229 WeakPolarHBondContact CE2-OD2 3.49Å; Y211-S230 WeakPolarHBondContact CA-OG 3.3Å; Y211-S230 WeakPolarHBondContact CB-OG 3.14Å; Y211-T231 HydrophobicContact CG-CG2 4.1Å; Y211-R233 VanDerWaalsContact CD2-NH2 3.31Å; Y211-R233 VanDerWaalsContact CE2-NH2 3.26Å
212	W	91.2	Very high	77.5	Confident	86 Å²	86	62.8 Å²	62.8	33%	0.326	34%	0.342	S	S	.	.			trans	-147.1	160.8	-179.5	59.9	85.3	0	0	0	111.2	F160 C214 D229 S230	F160-W212 AromaticContact CE1-CD1 3.91Å; F160-W212 AromaticContact CE1-NE1 3.82Å; F160-W212 AromaticContact CZ-CD1 3.56Å; F160-W212 AromaticContact CZ-NE1 3.44Å; W212-C214 VanDerWaalsContact CD1-SG 3.52Å; W212-C214 PolarHBondContact NE1-SG 3.18Å; W212-C214 VanDerWaalsContact NE1-SG 3.39Å; W212-D229 CarbonylContact O-C 3.57Å; W212-D229 WeakPolarHBondContact O-CA 3.18Å; W212-S230 PolarHBondContact N-OG 3.4Å; W212-S230 VanDerWaalsContact N-OG 3.17Å; W212-S230 PolarHBondContact O-N 3.23Å
213	Y	94.1	Very high	78.7	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.8	179.2	-61.6	-69.7	0	0	0	111.2	G181 V183 S197 T199 T227 D229 L235	G181-Y213 VanDerWaalsContact O-CE2 3.3Å; G181-Y213 WeakPolarHBondContact O-CE2 3.43Å; V183-Y213 HydrophobicContact CG2-CD1 4.14Å; V183-Y213 HydrophobicContact CG2-CD2 3.6Å; V183-Y213 HydrophobicContact CG2-CE2 4.05Å; V183-Y213 HydrophobicContact CG2-CG 3.63Å; S197-Y213 PolarHBondContact OG-OH 2.96Å; S197-Y213 VanDerWaalsContact OG-OH 3.08Å; T199-Y213 HydrophobicContact CG2-CD2 4.1Å; T199-Y213 HydrophobicContact CG2-CE2 3.54Å; Y213-T227 HydrophobicContact CD1-CG2 3.6Å; Y213-T227 WeakPolarHBondContact CD1-OG1 3.46Å; Y213-T227 HydrophobicContact CE1-CG2 3.73Å; Y213-T227 HydrophobicContact CG-CG2 4.43Å; Y213-D229 HydrophobicContact CD1-CB 4.29Å; Y213-D229 HydrophobicContact CE1-CB 4.48Å; Y213-L235 HydrophobicContact CE1-CD2 3.77Å; Y213-L235 VanDerWaalsContact OH-CD2 3.32Å; Y213-L235 WeakPolarHBondContact OH-CD2 3.47Å
214	C	93.8	Very high	80.4	Confident	11 Å²	11	62 Å²	62	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-17.2	-168.1	-70.6	0	0	0	0	113.9	G162 W212 G228 K253 V254	G162-C214 CarbonylContact C-O 3.59Å; W212-C214 VanDerWaalsContact CD1-SG 3.52Å; W212-C214 PolarHBondContact NE1-SG 3.18Å; W212-C214 VanDerWaalsContact NE1-SG 3.39Å; C214-G228 PolarHBondContact N-O 2.9Å; C214-K253 HydrophobicContact CB-CD 4.37Å; C214-K253 HydrophobicContact CB-CG 4.25Å; C214-K253 WeakPolarHBondContact SG-CE 3.42Å; C214-V254 WeakPolarHBondContact CB-O 3.49Å
215	C	93.9	Very high	82.1	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.8	175	62.8	0	0	0	0	110.7	T227 G228 A257	C215-T227 WeakPolarHBondContact O-CA 3.46Å; C215-T227 WeakPolarHBondContact O-CB 3.48Å; C215-T227 PolarHBondContact O-OG1 2.8Å; C215-G228 PolarHBondContact SG-N 2.91Å; C215-G228 VanDerWaalsContact SG-N 3.41Å; C215-A257 PolarHBondContact SG-N 2.94Å
216	V	95.1	Very high	84.2	Confident	10 Å²	10	48.1 Å²	48.1	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.1	171.8	69	0	0	0	0	109.6	F175 A177 L225 A226	F175-V216 HydrophobicContact CB-CG2 4.14Å; A177-V216 HydrophobicContact CB-CB 3.92Å; A177-V216 HydrophobicContact CB-CG1 4.44Å; V216-L225 HydrophobicContact CG2-CD1 3.64Å; V216-L225 HydrophobicContact CG2-CD2 4.07Å; V216-L225 HydrophobicContact CG2-CG 3.81Å; V216-A226 CarbonylContact C-O 3.48Å; V216-A226 WeakPolarHBondContact CA-O 3.46Å
217	D	94.7	Very high	86.1	Confident	8 Å²	8	40 Å²	40	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.1	168.8	-172.3	37.8	0	0	0	111.4	K165 L225 A226 A257 E258 F259	K165-D217 WeakPolarHBondContact CD-OD1 3.28Å; K165-D217 WeakPolarHBondContact CE-OD1 3.14Å; K165-D217 IonicContact NZ-OD1 3.13Å; K165-D217 PolarHBondContact NZ-OD1 3.18Å; D217-L225 CarbonylContact O-C 3.56Å; D217-L225 WeakPolarHBondContact O-CA 3.33Å; D217-A226 PolarHBondContact N-O 3.02Å; D217-A226 PolarHBondContact O-N 2.71Å; D217-A257 WeakPolarHBondContact CB-O 2.99Å; D217-E258 VanDerWaalsContact OD2-CA 3.3Å; D217-E258 WeakPolarHBondContact OD2-CA 3.5Å; D217-F259 HydrophobicContact CB-CD2 4.43Å; D217-F259 VanDerWaalsContact OD2-CD2 3.27Å; D217-F259 WeakPolarHBondContact OD2-CD2 3.43Å; D217-F259 PolarHBondContact OD2-N 3.18Å
218	V	93.3	Very high	88	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.8	-171.4	176.3	0	0	0	0	111.5	K165 F175 L225 L239	K165-V218 HydrophobicContact CD-CB 4.25Å; K165-V218 PolarHBondContact NZ-O 2.84Å; F175-V218 HydrophobicContact CB-CG2 4.32Å; F175-V218 HydrophobicContact CD2-CG2 3.66Å; F175-V218 HydrophobicContact CE2-CG1 4.35Å; F175-V218 HydrophobicContact CE2-CG2 4.02Å; F175-V218 HydrophobicContact CG-CG2 3.93Å; V218-L225 HydrophobicContact CG2-CB 4.25Å; V218-L225 HydrophobicContact CG2-CD1 4.03Å; V218-L225 HydrophobicContact CG2-CG 4.17Å; V218-L239 HydrophobicContact CG1-CD2 3.9Å
219	S	91	Very high	89.7	Confident	8 Å²	8	27.2 Å²	27.2	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.4	168.7	172.1	0	0	0	0	110.7	S221 R222 Q223 M224	S219-S221 PolarHBondContact OG-OG 3.43Å; S219-S221 VanDerWaalsContact OG-OG 3.13Å; S219-R222 WeakPolarHBondContact OG-CB 3.36Å; S219-R222 PolarHBondContact OG-N 3.06Å; S219-R222 VanDerWaalsContact OG-N 3.1Å; S219-Q223 PolarHBondContact O-N 3.24Å; S219-M224 PolarHBondContact N-O 3.06Å; S219-M224 PolarHBondContact O-N 2.82Å; S219-M224 VanDerWaalsContact O-N 3.14Å
220	V	85.6	Confident	91.2	Very high	65 Å²	65	26.5 Å²	26.5	39%	0.394	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-43.7	177	-167.4	0	0	0	0	110.9	P168 Q223	P168-V220 HydrophobicContact CB-CG2 3.44Å; P168-V220 VanDerWaalsContact CB-CG2 3.44Å; P168-V220 HydrophobicContact CG-CG2 3.55Å; V220-Q223 PolarHBondContact O-N 2.69Å; V220-Q223 PolarHBondContact O-NE2 2.88Å
221	S	86.6	Confident	92.2	Very high	74 Å²	74	24.6 Å²	24.6	52%	0.517	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-44.7	-179.9	38.5	0	0	0	0	112	S219 D264	S219-S221 PolarHBondContact OG-OG 3.43Å; S219-S221 VanDerWaalsContact OG-OG 3.13Å; S221-D264 VanDerWaalsContact CB-CG 3.48Å; S221-D264 VanDerWaalsContact CB-OD1 3.23Å; S221-D264 WeakPolarHBondContact CB-OD1 3.4Å; S221-D264 WeakPolarHBondContact CB-OD2 3.4Å; S221-D264 PolarHBondContact OG-OD1 2.88Å
222	R	84.3	Confident	92.5	Very high	77 Å²	77	23.7 Å²	23.7	29%	0.291	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.7	178.7	-148.8	176.6	-168.5	-128.2	10	114.5	S219 M224 L281	S219-R222 WeakPolarHBondContact OG-CB 3.36Å; S219-R222 PolarHBondContact OG-N 3.06Å; S219-R222 VanDerWaalsContact OG-N 3.1Å; R222-M224 VanDerWaalsContact C-N 3.32Å; R222-M224 HydrophobicContact CB-SD 4.44Å; R222-M224 HydrophobicContact CG-CG 4.37Å; R222-M224 HydrophobicContact CG-SD 3.78Å; R222-M224 PolarHBondContact NH1-SD 2.7Å; R222-M224 WeakPolarHBondContact O-CG 3.27Å; R222-M224 PolarHBondContact O-N 3.22Å; R222-L281 PolarHBondContact NH2-O 2.81Å
223	Q	89.3	Confident	92.7	Very high	71 Å²	71	22.8 Å²	22.8	33%	0.332	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	42.5	-174.8	-64.6	-70.7	-87.7	0	0	113.4	R169 S219 V220 L239	R169-Q223 VanDerWaalsContact NH2-NE2 3.14Å; S219-Q223 PolarHBondContact O-N 3.24Å; V220-Q223 PolarHBondContact O-N 2.69Å; V220-Q223 PolarHBondContact O-NE2 2.88Å; Q223-L239 PolarHBondContact O-N 3.31Å
224	M	92.5	Very high	92.8	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.039	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.2	-174.1	-72.1	176.9	64.5	0	0	113.3	S219 R222 L236 L237 I244 F259	S219-M224 PolarHBondContact N-O 3.06Å; S219-M224 PolarHBondContact O-N 2.82Å; S219-M224 VanDerWaalsContact O-N 3.14Å; R222-M224 VanDerWaalsContact C-N 3.32Å; R222-M224 HydrophobicContact CB-SD 4.44Å; R222-M224 HydrophobicContact CG-CG 4.37Å; R222-M224 HydrophobicContact CG-SD 3.78Å; R222-M224 PolarHBondContact NH1-SD 2.7Å; R222-M224 WeakPolarHBondContact O-CG 3.27Å; R222-M224 PolarHBondContact O-N 3.22Å; M224-L236 HydrophobicContact CE-CB 3.62Å; M224-L236 HydrophobicContact CE-CD1 3.81Å; M224-L236 HydrophobicContact CE-CG 4.22Å; M224-L237 CarbonylContact C-O 3.54Å; M224-L237 WeakPolarHBondContact CA-O 3.35Å; M224-I244 HydrophobicContact CE-CB 4.27Å; M224-I244 HydrophobicContact CE-CD1 3.74Å; M224-I244 HydrophobicContact CE-CG2 3.92Å; M224-I244 HydrophobicContact CG-CD1 3.66Å; M224-I244 HydrophobicContact SD-CD1 3.87Å; M224-F259 HydrophobicContact CB-CE1 4.32Å; M224-F259 HydrophobicContact CB-CZ 3.86Å
225	L	94.5	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.8	167.3	177.3	150	0	0	0	109.2	F175 V183 L196 V216 D217 V218 L236 L237 L239	F175-L225 HydrophobicContact CB-CD1 4.01Å; F175-L225 HydrophobicContact CD1-CD1 3.36Å; F175-L225 HydrophobicContact CE1-CD1 3.99Å; F175-L225 HydrophobicContact CG-CD1 3.85Å; V183-L225 HydrophobicContact CG1-CD1 4.15Å; V183-L225 HydrophobicContact CG1-CD2 4.07Å; L196-L225 HydrophobicContact CD1-CD1 3.99Å; V216-L225 HydrophobicContact CG2-CD1 3.64Å; V216-L225 HydrophobicContact CG2-CD2 4.07Å; V216-L225 HydrophobicContact CG2-CG 3.81Å; D217-L225 CarbonylContact O-C 3.56Å; D217-L225 WeakPolarHBondContact O-CA 3.33Å; V218-L225 HydrophobicContact CG2-CB 4.25Å; V218-L225 HydrophobicContact CG2-CD1 4.03Å; V218-L225 HydrophobicContact CG2-CG 4.17Å; L225-L236 WeakPolarHBondContact O-CA 3.28Å; L225-L237 HydrophobicContact CB-CB 4.5Å; L225-L237 HydrophobicContact CD2-CB 4.34Å; L225-L237 HydrophobicContact CD2-CD1 3.84Å; L225-L237 PolarHBondContact N-O 3.47Å; L225-L237 PolarHBondContact O-N 3.11Å; L225-L239 HydrophobicContact CB-CD2 4.34Å
226	A	95.4	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.5	173.1	0	0	0	0	0	109.7	V216 D217 L236 F259 M267	V216-A226 CarbonylContact C-O 3.48Å; V216-A226 WeakPolarHBondContact CA-O 3.46Å; D217-A226 PolarHBondContact N-O 3.02Å; D217-A226 PolarHBondContact O-N 2.71Å; A226-L236 HydrophobicContact CB-CD2 3.55Å; A226-F259 HydrophobicContact CB-CD2 4.43Å; A226-F259 HydrophobicContact CB-CE2 3.59Å; A226-F259 HydrophobicContact CB-CZ 3.83Å; A226-M267 HydrophobicContact CB-CE 3.44Å; A226-M267 VanDerWaalsContact CB-CE 3.44Å; A226-M267 HydrophobicContact CB-SD 4.33Å
227	T	95.7	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.1	173	-171.8	0	0	0	0	110.9	V183 Y213 C215 L235	V183-T227 HydrophobicContact CG2-CG2 3.9Å; Y213-T227 HydrophobicContact CD1-CG2 3.6Å; Y213-T227 WeakPolarHBondContact CD1-OG1 3.46Å; Y213-T227 HydrophobicContact CE1-CG2 3.73Å; Y213-T227 HydrophobicContact CG-CG2 4.43Å; C215-T227 WeakPolarHBondContact O-CA 3.46Å; C215-T227 WeakPolarHBondContact O-CB 3.48Å; C215-T227 PolarHBondContact O-OG1 2.8Å; T227-L235 HydrophobicContact CG2-CB 3.73Å; T227-L235 HydrophobicContact CG2-CD2 3.85Å; T227-L235 HydrophobicContact CG2-CG 3.92Å; T227-L235 PolarHBondContact N-O 2.83Å; T227-L235 PolarHBondContact O-N 3.4Å
228	G	95.7	Very high	92.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.4	178.4	0	0	0	0	0	111	C214 C215	C214-G228 PolarHBondContact N-O 2.9Å; C215-G228 PolarHBondContact SG-N 2.91Å; C215-G228 VanDerWaalsContact SG-N 3.41Å
229	D	94.6	Very high	92.5	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	168.9	-176.7	92.7	-6.3	0	0	0	114.4	Y211 W212 Y213 T231 G232 R233 K253 V254	Y211-D229 HydrophobicContact CD2-CB 3.88Å; Y211-D229 WeakPolarHBondContact CD2-OD2 3.5Å; Y211-D229 HydrophobicContact CE2-CB 4.32Å; Y211-D229 WeakPolarHBondContact CE2-OD2 3.49Å; W212-D229 CarbonylContact O-C 3.57Å; W212-D229 WeakPolarHBondContact O-CA 3.18Å; Y213-D229 HydrophobicContact CD1-CB 4.29Å; Y213-D229 HydrophobicContact CE1-CB 4.48Å; D229-T231 VanDerWaalsContact CG-OG1 3.25Å; D229-T231 PolarHBondContact O-N 3.48Å; D229-T231 VanDerWaalsContact OD1-CA 3.29Å; D229-T231 WeakPolarHBondContact OD1-CA 3.48Å; D229-T231 WeakPolarHBondContact OD1-CB 3.44Å; D229-T231 PolarHBondContact OD1-N 2.97Å; D229-T231 PolarHBondContact OD1-OG1 3.07Å; D229-T231 PolarHBondContact OD2-OG1 3.41Å; D229-G232 PolarHBondContact O-N 2.79Å; D229-G232 PolarHBondContact OD1-N 2.97Å; D229-R233 PolarHBondContact N-O 3.09Å; D229-R233 PolarHBondContact OD1-N 2.98Å; D229-R233 IonicContact OD2-CZ 2.85Å; D229-R233 IonicContact OD2-NE 2.62Å; D229-R233 PolarHBondContact OD2-NE 3.18Å; D229-R233 IonicContact OD2-NH2 3.76Å; D229-R233 PolarHBondContact OD2-NH2 3.37Å; D229-K253 WeakPolarHBondContact O-CA 3.37Å; D229-V254 PolarHBondContact O-N 2.96Å
230	S	93.8	Very high	92.1	Very high	24 Å²	24	27.9 Å²	27.9	17%	0.168	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11	178.5	62	0	0	0	0	115.1	Y211 W212 K253	Y211-S230 WeakPolarHBondContact CA-OG 3.3Å; Y211-S230 WeakPolarHBondContact CB-OG 3.14Å; W212-S230 PolarHBondContact N-OG 3.4Å; W212-S230 VanDerWaalsContact N-OG 3.17Å; W212-S230 PolarHBondContact O-N 3.23Å; S230-K253 WeakPolarHBondContact O-CA 3.36Å; S230-K253 WeakPolarHBondContact O-CB 3.35Å; S230-K253 PolarHBondContact O-N 3.29Å
231	T	93.5	Very high	92.1	Very high	39 Å²	39	25.8 Å²	25.8	24%	0.239	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-17.4	-179.9	79.7	0	0	0	0	113.9	Y211 D229 R233 K248	Y211-T231 HydrophobicContact CG-CG2 4.1Å; D229-T231 VanDerWaalsContact CG-OG1 3.25Å; D229-T231 PolarHBondContact O-N 3.48Å; D229-T231 VanDerWaalsContact OD1-CA 3.29Å; D229-T231 WeakPolarHBondContact OD1-CA 3.48Å; D229-T231 WeakPolarHBondContact OD1-CB 3.44Å; D229-T231 PolarHBondContact OD1-N 2.97Å; D229-T231 PolarHBondContact OD1-OG1 3.07Å; D229-T231 PolarHBondContact OD2-OG1 3.41Å; T231-R233 PolarHBondContact OG1-NE 2.95Å; T231-R233 PolarHBondContact OG1-NH2 3.27Å; T231-K248 VanDerWaalsContact O-CE 3.23Å; T231-K248 WeakPolarHBondContact O-CE 3.24Å; T231-K248 PolarHBondContact O-NZ 3.26Å
232	G	93.7	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	105.7	12.7	-174.5	0	0	0	0	0	115.1	D229 L249 H250 A252	D229-G232 PolarHBondContact O-N 2.79Å; D229-G232 PolarHBondContact OD1-N 2.97Å; G232-L249 PolarHBondContact O-N 3.27Å; G232-L249 VanDerWaalsContact O-N 3.17Å; G232-H250 PolarHBondContact O-N 2.85Å; G232-A252 WeakPolarHBondContact CA-O 3.38Å
233	R	95.3	Very high	92.8	Very high	67 Å²	67	28 Å²	28	25%	0.253	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.3	171.2	-67.7	174.1	-66.3	-148.9	-6.3	111.8	Y211 D229 T231 E247 K248	Y211-R233 VanDerWaalsContact CD2-NH2 3.31Å; Y211-R233 VanDerWaalsContact CE2-NH2 3.26Å; D229-R233 PolarHBondContact N-O 3.09Å; D229-R233 PolarHBondContact OD1-N 2.98Å; D229-R233 IonicContact OD2-CZ 2.85Å; D229-R233 IonicContact OD2-NE 2.62Å; D229-R233 PolarHBondContact OD2-NE 3.18Å; D229-R233 IonicContact OD2-NH2 3.76Å; D229-R233 PolarHBondContact OD2-NH2 3.37Å; T231-R233 PolarHBondContact OG1-NE 2.95Å; T231-R233 PolarHBondContact OG1-NH2 3.27Å; R233-E247 VanDerWaalsContact CA-O 3.25Å; R233-E247 WeakPolarHBondContact CA-O 3.34Å; R233-K248 HydrophobicContact CG-CB 3.78Å; R233-K248 HydrophobicContact CG-CG 4.39Å
234	L	96.3	Very high	93	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.8	163.1	-178.5	72.3	0	0	0	107.9	L236 K246 E247 L249 A257 M267 T269 I284	L234-L236 HydrophobicContact CD1-CD2 4.3Å; L234-L236 HydrophobicContact CD2-CD2 3.97Å; L234-L236 HydrophobicContact CD2-CG 4.32Å; L234-L236 HydrophobicContact CG-CD2 4Å; L234-L236 HydrophobicContact CG-CG 4.4Å; L234-K246 WeakPolarHBondContact O-CA 3.2Å; L234-E247 PolarHBondContact N-O 3.09Å; L234-E247 PolarHBondContact O-N 2.9Å; L234-L249 HydrophobicContact CB-CD1 3.57Å; L234-L249 HydrophobicContact CB-CG 4.12Å; L234-L249 HydrophobicContact CD2-CD1 3.55Å; L234-L249 HydrophobicContact CG-CD1 4.22Å; L234-A257 HydrophobicContact CD1-CB 3.86Å; L234-M267 HydrophobicContact CD1-SD 4.2Å; L234-M267 HydrophobicContact CD2-SD 3.72Å; L234-T269 HydrophobicContact CD1-CG2 4.21Å; L234-T269 HydrophobicContact CD2-CG2 4.39Å; L234-I284 HydrophobicContact CD2-CD1 4.38Å
235	L	95.8	Very high	93.1	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.5	172.8	167.5	62.9	0	0	0	108.4	Y213 T227 L237 E243 F245 K246	Y213-L235 HydrophobicContact CE1-CD2 3.77Å; Y213-L235 VanDerWaalsContact OH-CD2 3.32Å; Y213-L235 WeakPolarHBondContact OH-CD2 3.47Å; T227-L235 HydrophobicContact CG2-CB 3.73Å; T227-L235 HydrophobicContact CG2-CD2 3.85Å; T227-L235 HydrophobicContact CG2-CG 3.92Å; T227-L235 PolarHBondContact N-O 2.83Å; T227-L235 PolarHBondContact O-N 3.4Å; L235-L237 HydrophobicContact CD1-CD2 4.3Å; L235-L237 HydrophobicContact CD1-CG 4.16Å; L235-L237 HydrophobicContact CD2-CD1 3.94Å; L235-L237 HydrophobicContact CD2-CG 4.34Å; L235-L237 HydrophobicContact CG-CD1 4.02Å; L235-L237 HydrophobicContact CG-CG 4.02Å; L235-E243 HydrophobicContact CD1-CG 3.72Å; L235-E243 WeakPolarHBondContact CD1-OE2 3.44Å; L235-F245 CarbonylContact C-O 3.6Å; L235-F245 WeakPolarHBondContact CA-O 3.43Å; L235-K246 HydrophobicContact CD1-CB 4.13Å; L235-K246 HydrophobicContact CD1-CD 4.17Å; L235-K246 HydrophobicContact CD1-CG 4.26Å
236	L	95.6	Very high	93.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.4	173.3	-54	-178.3	0	0	0	109.5	M224 L225 A226 L234 I244 F245 M267 L281	M224-L236 HydrophobicContact CE-CB 3.62Å; M224-L236 HydrophobicContact CE-CD1 3.81Å; M224-L236 HydrophobicContact CE-CG 4.22Å; L225-L236 WeakPolarHBondContact O-CA 3.28Å; A226-L236 HydrophobicContact CB-CD2 3.55Å; L234-L236 HydrophobicContact CD1-CD2 4.3Å; L234-L236 HydrophobicContact CD2-CD2 3.97Å; L234-L236 HydrophobicContact CD2-CG 4.32Å; L234-L236 HydrophobicContact CG-CD2 4Å; L234-L236 HydrophobicContact CG-CG 4.4Å; L236-I244 HydrophobicContact CB-CB 4.38Å; L236-I244 PolarHBondContact O-N 3.49Å; L236-F245 HydrophobicContact CB-CB 4.04Å; L236-F245 HydrophobicContact CD1-CB 3.94Å; L236-F245 HydrophobicContact CD1-CD1 4.25Å; L236-F245 HydrophobicContact CD1-CG 4.37Å; L236-F245 HydrophobicContact CG-CB 4.09Å; L236-F245 HydrophobicContact CG-CD1 4.29Å; L236-F245 PolarHBondContact N-O 2.88Å; L236-F245 PolarHBondContact O-N 2.58Å; L236-M267 HydrophobicContact CD2-CE 3.93Å; L236-M267 HydrophobicContact CD2-SD 4.25Å; L236-L281 HydrophobicContact CD1-CD2 3.84Å
237	L	94.5	Very high	93.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	-175.2	-69.4	153.7	0	0	0	109.8	M224 L225 L235 G241 H242 E243	M224-L237 CarbonylContact C-O 3.54Å; M224-L237 WeakPolarHBondContact CA-O 3.35Å; L225-L237 HydrophobicContact CB-CB 4.5Å; L225-L237 HydrophobicContact CD2-CB 4.34Å; L225-L237 HydrophobicContact CD2-CD1 3.84Å; L225-L237 PolarHBondContact N-O 3.47Å; L225-L237 PolarHBondContact O-N 3.11Å; L235-L237 HydrophobicContact CD1-CD2 4.3Å; L235-L237 HydrophobicContact CD1-CG 4.16Å; L235-L237 HydrophobicContact CD2-CD1 3.94Å; L235-L237 HydrophobicContact CD2-CG 4.34Å; L235-L237 HydrophobicContact CG-CD1 4.02Å; L235-L237 HydrophobicContact CG-CG 4.02Å; L237-G241 WeakPolarHBondContact CD2-O 3.5Å; L237-H242 CarbonylContact C-O 3.53Å; L237-H242 VanDerWaalsContact CA-O 3.28Å; L237-H242 WeakPolarHBondContact CA-O 3.49Å; L237-E243 HydrophobicContact CD2-CB 4.43Å
238	G	92.1	Very high	93.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	159.6	160.7	0	0	0	0	0	111	D240 G241 H242	G238-D240 VanDerWaalsContact C-OD1 3.31Å; G238-D240 VanDerWaalsContact CA-OD1 3.32Å; G238-D240 WeakPolarHBondContact CA-OD1 3.47Å; G238-D240 PolarHBondContact O-N 3.26Å; G238-G241 WeakPolarHBondContact O-CA 3.34Å; G238-G241 PolarHBondContact O-N 3.46Å; G238-H242 PolarHBondContact N-O 3.14Å
239	L	86.8	Confident	93.1	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.199	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	176.3	-61.1	-178.8	0	0	0	113.6	F175 V218 Q223 L225	F175-L239 HydrophobicContact CE1-CD2 4.41Å; F175-L239 HydrophobicContact CZ-CD2 4Å; V218-L239 HydrophobicContact CG1-CD2 3.9Å; Q223-L239 PolarHBondContact O-N 3.31Å; L225-L239 HydrophobicContact CB-CD2 4.34Å
240	D	83.6	Confident	93.1	Very high	108 Å²	108	41.8 Å²	41.8	58%	0.578	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.9	169.2	60.4	-40.4	0	0	0	113.3	G238 H242	G238-D240 VanDerWaalsContact C-OD1 3.31Å; G238-D240 VanDerWaalsContact CA-OD1 3.32Å; G238-D240 WeakPolarHBondContact CA-OD1 3.47Å; G238-D240 PolarHBondContact O-N 3.26Å; D240-H242 IonicContact OD1-CE1 2.7Å; D240-H242 PolarHBondContact OD1-CE1 3.4Å; D240-H242 IonicContact OD1-CG 3.48Å; D240-H242 IonicContact OD1-ND1 2.75Å; D240-H242 PolarHBondContact OD1-ND1 3.36Å; D240-H242 IonicContact OD2-CE1 3.15Å; D240-H242 IonicContact OD2-CG 3.25Å; D240-H242 IonicContact OD2-ND1 3.98Å; D240-H242 PolarHBondContact OD2-ND1 3.07Å
241	G	84.4	Confident	93.2	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	23%	0.234	C	C	.	.			trans	100.1	3.3	175.2	0	0	0	0	0	116.2	L237 G238	L237-G241 WeakPolarHBondContact CD2-O 3.5Å; G238-G241 WeakPolarHBondContact O-CA 3.34Å; G238-G241 PolarHBondContact O-N 3.46Å
242	H	91	Very high	93.2	Very high	98 Å²	98	48.4 Å²	48.4	45%	0.454	24%	0.235	S	C	.	.			trans	-70.5	140.5	175.5	73.7	-97.5	0	0	0	111.8	L237 G238 D240 I244	L237-H242 CarbonylContact C-O 3.53Å; L237-H242 VanDerWaalsContact CA-O 3.28Å; L237-H242 WeakPolarHBondContact CA-O 3.49Å; G238-H242 PolarHBondContact N-O 3.14Å; D240-H242 IonicContact OD1-CE1 2.7Å; D240-H242 PolarHBondContact OD1-CE1 3.4Å; D240-H242 IonicContact OD1-CG 3.48Å; D240-H242 IonicContact OD1-ND1 2.75Å; D240-H242 PolarHBondContact OD1-ND1 3.36Å; D240-H242 IonicContact OD2-CE1 3.15Å; D240-H242 IonicContact OD2-CG 3.25Å; D240-H242 IonicContact OD2-ND1 3.98Å; D240-H242 PolarHBondContact OD2-ND1 3.07Å; H242-I244 VanDerWaalsContact CD2-CG1 3.42Å; H242-I244 WeakPolarHBondContact CD2-CG1 3.24Å; H242-I244 WeakPolarHBondContact NE2-CD1 3.3Å; H242-I244 VanDerWaalsContact NE2-CG1 3.26Å; H242-I244 WeakPolarHBondContact NE2-CG1 3.43Å
243	E	94	Very high	93.3	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.7	178.9	-173.1	163.2	115.1	0	0	110.6	L235 L237 K246	L235-E243 HydrophobicContact CD1-CG 3.72Å; L235-E243 WeakPolarHBondContact CD1-OE2 3.44Å; L237-E243 HydrophobicContact CD2-CB 4.43Å; E243-K246 VanDerWaalsContact CD-NZ 3.32Å; E243-K246 HydrophobicContact CG-CB 4.48Å; E243-K246 HydrophobicContact CG-CD 4.48Å; E243-K246 WeakPolarHBondContact OE1-CD 3.15Å; E243-K246 IonicContact OE1-NZ 3.8Å; E243-K246 PolarHBondContact OE1-NZ 3.05Å; E243-K246 VanDerWaalsContact OE1-NZ 3.13Å; E243-K246 WeakPolarHBondContact OE2-CD 3.35Å; E243-K246 IonicContact OE2-NZ 2.72Å; E243-K246 PolarHBondContact OE2-NZ 2.97Å
244	I	93.8	Very high	93.3	Very high	73 Å²	73	48.2 Å²	48.2	37%	0.374	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-39.4	-176.7	-65.4	169.9	0	0	0	111.2	M224 L236 H242	M224-I244 HydrophobicContact CE-CB 4.27Å; M224-I244 HydrophobicContact CE-CD1 3.74Å; M224-I244 HydrophobicContact CE-CG2 3.92Å; M224-I244 HydrophobicContact CG-CD1 3.66Å; M224-I244 HydrophobicContact SD-CD1 3.87Å; L236-I244 HydrophobicContact CB-CB 4.38Å; L236-I244 PolarHBondContact O-N 3.49Å; H242-I244 VanDerWaalsContact CD2-CG1 3.42Å; H242-I244 WeakPolarHBondContact CD2-CG1 3.24Å; H242-I244 WeakPolarHBondContact NE2-CD1 3.3Å; H242-I244 VanDerWaalsContact NE2-CG1 3.26Å; H242-I244 WeakPolarHBondContact NE2-CG1 3.43Å
245	F	94.4	Very high	93.2	Very high	31 Å²	31	48.8 Å²	48.8	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	141.9	-176.8	179.3	-93.6	0	0	0	110.6	L235 L236 E247 L249 I284	L235-F245 CarbonylContact C-O 3.6Å; L235-F245 WeakPolarHBondContact CA-O 3.43Å; L236-F245 HydrophobicContact CB-CB 4.04Å; L236-F245 HydrophobicContact CD1-CB 3.94Å; L236-F245 HydrophobicContact CD1-CD1 4.25Å; L236-F245 HydrophobicContact CD1-CG 4.37Å; L236-F245 HydrophobicContact CG-CB 4.09Å; L236-F245 HydrophobicContact CG-CD1 4.29Å; L236-F245 PolarHBondContact N-O 2.88Å; L236-F245 PolarHBondContact O-N 2.58Å; F245-E247 HydrophobicContact CE1-CB 3.71Å; F245-E247 HydrophobicContact CE2-CB 4.17Å; F245-E247 HydrophobicContact CZ-CB 3.42Å; F245-E247 VanDerWaalsContact CZ-CB 3.42Å; F245-E247 HydrophobicContact CZ-CG 4.31Å; F245-L249 HydrophobicContact CE1-CD1 4.33Å; F245-L249 HydrophobicContact CE1-CD2 4.18Å; F245-L249 HydrophobicContact CE1-CG 4.46Å; F245-L249 HydrophobicContact CZ-CD2 4.12Å; F245-I284 HydrophobicContact CD1-CD1 4.43Å; F245-I284 HydrophobicContact CD2-CG2 4.14Å; F245-I284 HydrophobicContact CE1-CD1 3.82Å; F245-I284 HydrophobicContact CE1-CG1 4.14Å; F245-I284 HydrophobicContact CE2-CG1 4.15Å; F245-I284 HydrophobicContact CE2-CG2 4.1Å; F245-I284 HydrophobicContact CG-CG2 4.46Å; F245-I284 HydrophobicContact CZ-CD1 3.94Å; F245-I284 HydrophobicContact CZ-CG1 3.72Å; F245-I284 HydrophobicContact CZ-CG2 4.39Å
246	K	94.6	Very high	93.1	Very high	85 Å²	85	50.2 Å²	50.2	37%	0.37	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	100.6	-178.9	-176	177.2	-170.7	168.2	0	111	L234 L235 E243	L234-K246 WeakPolarHBondContact O-CA 3.2Å; L235-K246 HydrophobicContact CD1-CB 4.13Å; L235-K246 HydrophobicContact CD1-CD 4.17Å; L235-K246 HydrophobicContact CD1-CG 4.26Å; E243-K246 VanDerWaalsContact CD-NZ 3.32Å; E243-K246 HydrophobicContact CG-CB 4.48Å; E243-K246 HydrophobicContact CG-CD 4.48Å; E243-K246 WeakPolarHBondContact OE1-CD 3.15Å; E243-K246 IonicContact OE1-NZ 3.8Å; E243-K246 PolarHBondContact OE1-NZ 3.05Å; E243-K246 VanDerWaalsContact OE1-NZ 3.13Å; E243-K246 WeakPolarHBondContact OE2-CD 3.35Å; E243-K246 IonicContact OE2-NZ 2.72Å; E243-K246 PolarHBondContact OE2-NZ 2.97Å
247	E	96.1	Very high	93.1	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.3	-176.2	-170.1	46.9	-98.3	0	0	111.8	R233 L234 F245 L249	R233-E247 VanDerWaalsContact CA-O 3.25Å; R233-E247 WeakPolarHBondContact CA-O 3.34Å; L234-E247 PolarHBondContact N-O 3.09Å; L234-E247 PolarHBondContact O-N 2.9Å; F245-E247 HydrophobicContact CE1-CB 3.71Å; F245-E247 HydrophobicContact CE2-CB 4.17Å; F245-E247 HydrophobicContact CZ-CB 3.42Å; F245-E247 VanDerWaalsContact CZ-CB 3.42Å; F245-E247 HydrophobicContact CZ-CG 4.31Å; E247-L249 HydrophobicContact CB-CD2 4.25Å; E247-L249 HydrophobicContact CG-CD2 4.36Å; E247-L249 PolarHBondContact O-N 3.15Å; E247-L249 VanDerWaalsContact O-N 3.13Å
248	K	95.7	Very high	93	Very high	89 Å²	89	51.3 Å²	51.3	39%	0.387	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	84.6	179.6	-176.3	158	173.2	155.9	0	111.1	T231 R233 H250 K251 K287	T231-K248 VanDerWaalsContact O-CE 3.23Å; T231-K248 WeakPolarHBondContact O-CE 3.24Å; T231-K248 PolarHBondContact O-NZ 3.26Å; R233-K248 HydrophobicContact CG-CB 3.78Å; R233-K248 HydrophobicContact CG-CG 4.39Å; K248-H250 WeakPolarHBondContact CE-O 3.43Å; K248-H250 VanDerWaalsContact CG-O 3.27Å; K248-H250 WeakPolarHBondContact CG-O 3.31Å; K248-K251 PolarHBondContact NZ-O 2.93Å; K248-K287 WeakPolarHBondContact O-CB 3.49Å
249	L	95.3	Very high	93	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	25%	0.253	C	S	.	.			trans	-76.1	-32.4	-179.1	-57.9	-171.9	0	0	0	114.1	G232 L234 F245 E247 W279 I284	G232-L249 PolarHBondContact O-N 3.27Å; G232-L249 VanDerWaalsContact O-N 3.17Å; L234-L249 HydrophobicContact CB-CD1 3.57Å; L234-L249 HydrophobicContact CB-CG 4.12Å; L234-L249 HydrophobicContact CD2-CD1 3.55Å; L234-L249 HydrophobicContact CG-CD1 4.22Å; F245-L249 HydrophobicContact CE1-CD1 4.33Å; F245-L249 HydrophobicContact CE1-CD2 4.18Å; F245-L249 HydrophobicContact CE1-CG 4.46Å; F245-L249 HydrophobicContact CZ-CD2 4.12Å; E247-L249 HydrophobicContact CB-CD2 4.25Å; E247-L249 HydrophobicContact CG-CD2 4.36Å; E247-L249 PolarHBondContact O-N 3.15Å; E247-L249 VanDerWaalsContact O-N 3.13Å; L249-W279 HydrophobicContact CB-CH2 3.69Å; L249-W279 HydrophobicContact CB-CZ2 3.64Å; L249-W279 HydrophobicContact CD1-CD2 4.1Å; L249-W279 HydrophobicContact CD1-CE3 4.3Å; L249-W279 HydrophobicContact CD1-CH2 4.01Å; L249-W279 HydrophobicContact CD1-CZ2 3.76Å; L249-W279 HydrophobicContact CD1-CZ3 4.25Å; L249-W279 HydrophobicContact CD2-CH2 3.89Å; L249-W279 HydrophobicContact CD2-CZ2 4.47Å; L249-W279 HydrophobicContact CD2-CZ3 3.94Å; L249-W279 HydrophobicContact CG-CH2 4.06Å; L249-W279 HydrophobicContact CG-CZ2 4.16Å; L249-W279 HydrophobicContact CG-CZ3 4.47Å; L249-I284 HydrophobicContact CD1-CD1 3.84Å
250	H	95.8	Very high	93.2	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.019	25%	0.252	C	S	.	.	S	Bend	trans	-114.6	159.3	-178.6	-80.3	-82.4	0	0	0	111.6	G232 K248 A252 V254 T269 S271 D273 T275	G232-H250 PolarHBondContact O-N 2.85Å; K248-H250 WeakPolarHBondContact CE-O 3.43Å; K248-H250 VanDerWaalsContact CG-O 3.27Å; K248-H250 WeakPolarHBondContact CG-O 3.31Å; H250-A252 WeakPolarHBondContact CB-O 3.37Å; H250-V254 HydrophobicContact CB-CG2 4.44Å; H250-T269 PolarHBondContact NE2-OG1 3.11Å; H250-S271 WeakPolarHBondContact ND1-CB 3.18Å; H250-D273 WeakPolarHBondContact CA-OD2 3.45Å; H250-D273 VanDerWaalsContact CB-OD2 3.32Å; H250-D273 WeakPolarHBondContact CB-OD2 3.29Å; H250-D273 IonicContact CE1-OD1 2.73Å; H250-D273 IonicContact CG-OD2 2.89Å; H250-D273 IonicContact ND1-OD1 3.21Å; H250-D273 PolarHBondContact ND1-OD1 3.05Å; H250-D273 IonicContact ND1-OD2 3.75Å; H250-D273 PolarHBondContact ND1-OD2 3.32Å; H250-T275 PolarHBondContact CE1-OG1 2.68Å; H250-T275 PolarHBondContact ND1-OG1 3.16Å
251	K	94.6	Very high	93.3	Very high	170 Å²	170	50.6 Å²	50.6	74%	0.739	25%	0.252	S	S	*	.	S	Bend	trans	-76.3	-33.2	179.3	-64.1	168.1	-175.9	163.8	0	111.8	K248 D273	K248-K251 PolarHBondContact NZ-O 2.93Å; K251-D273 HydrophobicContact CB-CB 3.87Å; K251-D273 PolarHBondContact N-OD2 3.22Å
252	A	94.9	Very high	93.4	Very high	32 Å²	32	60.7 Å²	60.7	26%	0.264	28%	0.283	S	S	.	.	S	Bend	trans	-134.2	174.4	-178.7	0	0	0	0	0	111.7	G232 H250 V254 S271 V272 D273	G232-A252 WeakPolarHBondContact CA-O 3.38Å; H250-A252 WeakPolarHBondContact CB-O 3.37Å; A252-V254 PolarHBondContact O-N 3.01Å; A252-S271 PolarHBondContact O-OG 2.91Å; A252-V272 HydrophobicContact CB-CB 4.2Å; A252-D273 HydrophobicContact CB-CB 4.26Å
253	K	94.8	Very high	93.3	Very high	63 Å²	63	57.4 Å²	57.4	27%	0.274	27%	0.271	S	S	.	.			trans	-29	124.3	178.2	172.2	176.4	-64.9	-173.6	0	114.4	C214 D229 S230 S271 V272	C214-K253 HydrophobicContact CB-CD 4.37Å; C214-K253 HydrophobicContact CB-CG 4.25Å; C214-K253 WeakPolarHBondContact SG-CE 3.42Å; D229-K253 WeakPolarHBondContact O-CA 3.37Å; S230-K253 WeakPolarHBondContact O-CA 3.36Å; S230-K253 WeakPolarHBondContact O-CB 3.35Å; S230-K253 PolarHBondContact O-N 3.29Å; K253-S271 VanDerWaalsContact O-CA 3.29Å; K253-S271 WeakPolarHBondContact O-CA 3.31Å; K253-S271 PolarHBondContact O-OG 2.87Å; K253-V272 HydrophobicContact CB-CB 4.34Å; K253-V272 HydrophobicContact CB-CG2 3.85Å; K253-V272 HydrophobicContact CD-CG2 4.22Å; K253-V272 HydrophobicContact CG-CG2 4.13Å; K253-V272 PolarHBondContact O-N 3.29Å
254	V	96.1	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	165.5	-175.3	0	0	0	0	108.2	C214 D229 H250 A252 H256 A257 S270	C214-V254 WeakPolarHBondContact CB-O 3.49Å; D229-V254 PolarHBondContact O-N 2.96Å; H250-V254 HydrophobicContact CB-CG2 4.44Å; A252-V254 PolarHBondContact O-N 3.01Å; V254-H256 WeakPolarHBondContact CG1-O 3.47Å; V254-A257 HydrophobicContact CG1-CB 4.32Å; V254-S270 CarbonylContact C-O 3.59Å; V254-S270 WeakPolarHBondContact CA-O 3.46Å; V254-S270 WeakPolarHBondContact CG1-O 3.32Å
255	T	93.9	Very high	92.9	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-26.4	-174.8	50.8	0	0	0	0	113	S270 V272 V300 K345	T255-S270 PolarHBondContact N-O 2.8Å; T255-S270 PolarHBondContact OG1-O 3.49Å; T255-S270 PolarHBondContact OG1-OG 3.05Å; T255-V272 HydrophobicContact CG2-CG2 3.63Å; T255-V300 WeakPolarHBondContact CB-O 3.48Å; T255-V300 PolarHBondContact OG1-O 3.48Å; T255-K345 PolarHBondContact O-NZ 2.92Å
256	H	93.9	Very high	92.9	Very high	36 Å²	36	56 Å²	56	17%	0.167	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	145.4	176.6	-161.5	76.2	0	0	0	108.8	V254 E258 T269 S270 A302	V254-H256 WeakPolarHBondContact CG1-O 3.47Å; H256-E258 IonicContact CD2-OE2 2.64Å; H256-E258 IonicContact CE1-OE2 2.7Å; H256-E258 IonicContact NE2-OE2 2.79Å; H256-E258 PolarHBondContact NE2-OE2 2.99Å; H256-T269 WeakPolarHBondContact O-CA 3.07Å; H256-S270 WeakPolarHBondContact CB-OG 3.41Å; H256-S270 PolarHBondContact N-OG 3.19Å; H256-S270 PolarHBondContact O-N 3.44Å; H256-A302 PolarHBondContact CD2-O 2.82Å; H256-A302 PolarHBondContact NE2-O 3.37Å
257	A	94.7	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	128.4	174.7	0	0	0	0	0	107	C215 D217 L234 V254 A268 T269	C215-A257 PolarHBondContact SG-N 2.94Å; D217-A257 WeakPolarHBondContact CB-O 2.99Å; L234-A257 HydrophobicContact CD1-CB 3.86Å; V254-A257 HydrophobicContact CG1-CB 4.32Å; A257-A268 CarbonylContact C-O 3.55Å; A257-A268 WeakPolarHBondContact CA-O 3.35Å; A257-T269 HydrophobicContact CB-CG2 3.92Å
258	E	93.2	Very high	92.7	Very high	26 Å²	26	48.6 Å²	48.6	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	132.5	-169.3	-169.5	170.9	169.3	0	0	113.1	D217 H256 M267 A268 S304	D217-E258 VanDerWaalsContact OD2-CA 3.3Å; D217-E258 WeakPolarHBondContact OD2-CA 3.5Å; H256-E258 IonicContact CD2-OE2 2.64Å; H256-E258 IonicContact CE1-OE2 2.7Å; H256-E258 IonicContact NE2-OE2 2.79Å; H256-E258 PolarHBondContact NE2-OE2 2.99Å; E258-M267 WeakPolarHBondContact O-CA 3.29Å; E258-M267 WeakPolarHBondContact O-CG 3.34Å; E258-A268 PolarHBondContact N-O 3.35Å; E258-A268 PolarHBondContact O-N 3.36Å; E258-S304 VanDerWaalsContact CD-CB 3.48Å; E258-S304 WeakPolarHBondContact OE1-CB 3.1Å; E258-S304 PolarHBondContact OE1-OG 2.91Å
259	F	92.4	Very high	92.7	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.3	171.6	-62.1	-89.4	0	0	0	110.3	D217 M224 A226 P261 M267 L281	D217-F259 HydrophobicContact CB-CD2 4.43Å; D217-F259 VanDerWaalsContact OD2-CD2 3.27Å; D217-F259 WeakPolarHBondContact OD2-CD2 3.43Å; D217-F259 PolarHBondContact OD2-N 3.18Å; M224-F259 HydrophobicContact CB-CE1 4.32Å; M224-F259 HydrophobicContact CB-CZ 3.86Å; A226-F259 HydrophobicContact CB-CD2 4.43Å; A226-F259 HydrophobicContact CB-CE2 3.59Å; A226-F259 HydrophobicContact CB-CZ 3.83Å; F259-P261 VanDerWaalsContact O-CD 3.25Å; F259-P261 WeakPolarHBondContact O-CD 3.23Å; F259-M267 HydrophobicContact CD1-CE 3.53Å; F259-M267 HydrophobicContact CD2-CE 4Å; F259-M267 HydrophobicContact CE1-CE 3.39Å; F259-M267 HydrophobicContact CE2-CE 3.86Å; F259-M267 HydrophobicContact CG-CE 3.84Å; F259-M267 HydrophobicContact CZ-CE 3.55Å; F259-L281 HydrophobicContact CD1-CD1 3.63Å; F259-L281 HydrophobicContact CE1-CD1 3.52Å
260	N	90.4	Very high	92.7	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.193	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	120	173.7	-175.4	-50.7	0	0	0	110.6	R262 C263 L266	N260-R262 PolarHBondContact O-N 2.85Å; N260-R262 PolarHBondContact OD1-N 3.05Å; N260-C263 HydrophobicContact CB-CB 3.98Å; N260-C263 CarbonylContact O-C 3.33Å; N260-C263 PolarHBondContact O-N 3.21Å; N260-C263 PolarHBondContact OD1-N 3.45Å; N260-L266 HydrophobicContact CB-CB 4.11Å; N260-L266 HydrophobicContact CB-CD2 4.37Å; N260-L266 HydrophobicContact CB-CG 4.28Å; N260-L266 WeakPolarHBondContact CB-O 2.87Å; N260-L266 PolarHBondContact N-O 3.04Å
261	P	85.6	Confident	92.7	Very high	87 Å²	87	44 Å²	44	57%	0.565	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.9	-174.8	-24.5	35.5	0	0	0	116.2	F259	F259-P261 VanDerWaalsContact O-CD 3.25Å; F259-P261 WeakPolarHBondContact O-CD 3.23Å
262	R	86.9	Confident	92.7	Very high	233 Å²	233	38.6 Å²	38.6	88%	0.879	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-1.5	175.8	-71.2	-178.1	166.4	-173.3	-5.5	113.5	N260	N260-R262 PolarHBondContact O-N 2.85Å; N260-R262 PolarHBondContact OD1-N 3.05Å
263	C	89	Confident	92.6	Very high	30 Å²	30	38.7 Å²	38.7	20%	0.203	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	81.6	-168.3	-162.6	0	0	0	0	110.2	N260 W265 L266	N260-C263 HydrophobicContact CB-CB 3.98Å; N260-C263 CarbonylContact O-C 3.33Å; N260-C263 PolarHBondContact O-N 3.21Å; N260-C263 PolarHBondContact OD1-N 3.45Å; C263-W265 PolarHBondContact O-N 2.97Å; C263-W265 VanDerWaalsContact SG-CZ2 3.6Å; C263-W265 PolarHBondContact SG-NE1 2.84Å; C263-L266 HydrophobicContact CB-CB 4.1Å; C263-L266 PolarHBondContact O-N 3.24Å
264	D	88.4	Confident	92.5	Very high	68 Å²	68	36.6 Å²	36.6	36%	0.364	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	-22.9	-167.7	-54.1	-28.4	0	0	0	116	S221	S221-D264 VanDerWaalsContact CB-CG 3.48Å; S221-D264 VanDerWaalsContact CB-OD1 3.23Å; S221-D264 WeakPolarHBondContact CB-OD1 3.4Å; S221-D264 WeakPolarHBondContact CB-OD2 3.4Å; S221-D264 PolarHBondContact OG-OD1 2.88Å
265	W	90.9	Very high	92.5	Very high	88 Å²	88	37.4 Å²	37.4	33%	0.333	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-14.5	178.7	59.5	-99.5	0	0	0	113.8	C263 D280 L281 R282 I291	C263-W265 PolarHBondContact O-N 2.97Å; C263-W265 VanDerWaalsContact SG-CZ2 3.6Å; C263-W265 PolarHBondContact SG-NE1 2.84Å; W265-D280 HydrophobicContact CE3-CB 3.99Å; W265-D280 HydrophobicContact CZ3-CB 4.3Å; W265-D280 CarbonylContact O-C 3.49Å; W265-D280 WeakPolarHBondContact O-CA 3.06Å; W265-L281 WeakPolarHBondContact O-CB 3.45Å; W265-L281 WeakPolarHBondContact O-CG 3.38Å; W265-L281 PolarHBondContact O-N 3.18Å; W265-R282 HydrophobicContact CB-CG 3.79Å; W265-I291 HydrophobicContact CZ3-CD1 3.86Å
266	L	92.9	Very high	92.5	Very high	18 Å²	18	36.7 Å²	36.7	9%	0.094	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.5	-178.3	179.6	60.6	0	0	0	110.2	N260 C263 L278 W279 I291	N260-L266 HydrophobicContact CB-CB 4.11Å; N260-L266 HydrophobicContact CB-CD2 4.37Å; N260-L266 HydrophobicContact CB-CG 4.28Å; N260-L266 WeakPolarHBondContact CB-O 2.87Å; N260-L266 PolarHBondContact N-O 3.04Å; C263-L266 HydrophobicContact CB-CB 4.1Å; C263-L266 PolarHBondContact O-N 3.24Å; L266-L278 HydrophobicContact CD1-CB 4.17Å; L266-L278 HydrophobicContact CD1-CD1 4.49Å; L266-W279 WeakPolarHBondContact CA-O 3.43Å; L266-I291 HydrophobicContact CD1-CD1 3.7Å
267	M	93.8	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.8	174.8	177.8	172.2	-76.9	0	0	111	A226 L234 L236 E258 F259 T269 L278 W279 L281	A226-M267 HydrophobicContact CB-CE 3.44Å; A226-M267 VanDerWaalsContact CB-CE 3.44Å; A226-M267 HydrophobicContact CB-SD 4.33Å; L234-M267 HydrophobicContact CD1-SD 4.2Å; L234-M267 HydrophobicContact CD2-SD 3.72Å; L236-M267 HydrophobicContact CD2-CE 3.93Å; L236-M267 HydrophobicContact CD2-SD 4.25Å; E258-M267 WeakPolarHBondContact O-CA 3.29Å; E258-M267 WeakPolarHBondContact O-CG 3.34Å; F259-M267 HydrophobicContact CD1-CE 3.53Å; F259-M267 HydrophobicContact CD2-CE 4Å; F259-M267 HydrophobicContact CE1-CE 3.39Å; F259-M267 HydrophobicContact CE2-CE 3.86Å; F259-M267 HydrophobicContact CG-CE 3.84Å; F259-M267 HydrophobicContact CZ-CE 3.55Å; M267-T269 HydrophobicContact CG-CG2 4.34Å; M267-T269 HydrophobicContact SD-CG2 4.35Å; M267-L278 CarbonylContact O-C 3.48Å; M267-L278 WeakPolarHBondContact O-CA 3.36Å; M267-W279 PolarHBondContact N-O 2.93Å; M267-W279 VanDerWaalsContact N-O 3.11Å; M267-W279 PolarHBondContact O-N 3.22Å; M267-L281 HydrophobicContact CB-CD1 4.13Å; M267-L281 HydrophobicContact CB-CD2 3.93Å; M267-L281 HydrophobicContact CB-CG 4.05Å; M267-L281 HydrophobicContact CE-CD1 4.09Å; M267-L281 HydrophobicContact CE-CD2 4.21Å; M267-L281 HydrophobicContact SD-CD2 4.01Å
268	A	94.4	Very high	92.6	Very high	14 Å²	14	35.9 Å²	35.9	12%	0.116	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140	167.1	0	0	0	0	0	110.6	A257 E258 K277 L278 L307	A257-A268 CarbonylContact C-O 3.55Å; A257-A268 WeakPolarHBondContact CA-O 3.35Å; E258-A268 PolarHBondContact N-O 3.35Å; E258-A268 PolarHBondContact O-N 3.36Å; A268-K277 CarbonylContact C-O 3.25Å; A268-K277 WeakPolarHBondContact CA-O 3.25Å; A268-L278 HydrophobicContact CB-CD2 3.67Å; A268-L307 HydrophobicContact CB-CD1 3.83Å
269	T	95.4	Very high	92.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.8	169	60.5	0	0	0	0	110.5	L234 H250 H256 A257 M267 V276 K277 W279	L234-T269 HydrophobicContact CD1-CG2 4.21Å; L234-T269 HydrophobicContact CD2-CG2 4.39Å; H250-T269 PolarHBondContact NE2-OG1 3.11Å; H256-T269 WeakPolarHBondContact O-CA 3.07Å; A257-T269 HydrophobicContact CB-CG2 3.92Å; M267-T269 HydrophobicContact CG-CG2 4.34Å; M267-T269 HydrophobicContact SD-CG2 4.35Å; T269-V276 CarbonylContact O-C 3.28Å; T269-V276 VanDerWaalsContact O-CA 3.29Å; T269-V276 WeakPolarHBondContact O-CA 3.38Å; T269-V276 WeakPolarHBondContact O-CG1 3.31Å; T269-K277 PolarHBondContact N-O 2.99Å; T269-K277 PolarHBondContact O-N 2.86Å; T269-W279 PolarHBondContact OG1-NE1 2.81Å
270	S	94.9	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.1	173.3	62.1	0	0	0	0	110.9	V254 T255 H256 V300	V254-S270 CarbonylContact C-O 3.59Å; V254-S270 WeakPolarHBondContact CA-O 3.46Å; V254-S270 WeakPolarHBondContact CG1-O 3.32Å; T255-S270 PolarHBondContact N-O 2.8Å; T255-S270 PolarHBondContact OG1-O 3.49Å; T255-S270 PolarHBondContact OG1-OG 3.05Å; H256-S270 WeakPolarHBondContact CB-OG 3.41Å; H256-S270 PolarHBondContact N-OG 3.19Å; H256-S270 PolarHBondContact O-N 3.44Å; S270-V300 PolarHBondContact OG-O 2.92Å
271	S	95.8	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.7	-173.6	175.6	0	0	0	0	114.1	H250 A252 K253 D273 A274 T275 V300	H250-S271 WeakPolarHBondContact ND1-CB 3.18Å; A252-S271 PolarHBondContact O-OG 2.91Å; K253-S271 VanDerWaalsContact O-CA 3.29Å; K253-S271 WeakPolarHBondContact O-CA 3.31Å; K253-S271 PolarHBondContact O-OG 2.87Å; S271-D273 VanDerWaalsContact CB-OD1 3.31Å; S271-D273 WeakPolarHBondContact CB-OD1 3.38Å; S271-D273 PolarHBondContact O-N 2.8Å; S271-D273 VanDerWaalsContact OG-CG 3.3Å; S271-D273 PolarHBondContact OG-N 2.99Å; S271-D273 PolarHBondContact OG-OD1 2.57Å; S271-A274 PolarHBondContact O-N 2.85Å; S271-T275 PolarHBondContact N-O 3.02Å; S271-V300 PolarHBondContact O-N 3.18Å; S271-V300 VanDerWaalsContact O-N 3.11Å
272	V	94.1	Very high	93.3	Very high	57 Å²	57	37.7 Å²	37.7	35%	0.345	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.1	166.1	-174.2	0	0	0	0	112.4	A252 K253 T255 A274 P299	A252-V272 HydrophobicContact CB-CB 4.2Å; K253-V272 HydrophobicContact CB-CB 4.34Å; K253-V272 HydrophobicContact CB-CG2 3.85Å; K253-V272 HydrophobicContact CD-CG2 4.22Å; K253-V272 HydrophobicContact CG-CG2 4.13Å; K253-V272 PolarHBondContact O-N 3.29Å; T255-V272 HydrophobicContact CG2-CG2 3.63Å; V272-A274 PolarHBondContact O-N 3.25Å; V272-P299 HydrophobicContact CB-CB 4.39Å; V272-P299 HydrophobicContact CB-CG 4.42Å; V272-P299 HydrophobicContact CG1-CB 4.25Å; V272-P299 HydrophobicContact CG1-CG 3.81Å
273	D	92.6	Very high	93.6	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	9.6	170.3	72.9	14.2	0	0	0	114.8	H250 K251 A252 S271 T275	H250-D273 WeakPolarHBondContact CA-OD2 3.45Å; H250-D273 VanDerWaalsContact CB-OD2 3.32Å; H250-D273 WeakPolarHBondContact CB-OD2 3.29Å; H250-D273 IonicContact CE1-OD1 2.73Å; H250-D273 IonicContact CG-OD2 2.89Å; H250-D273 IonicContact ND1-OD1 3.21Å; H250-D273 PolarHBondContact ND1-OD1 3.05Å; H250-D273 IonicContact ND1-OD2 3.75Å; H250-D273 PolarHBondContact ND1-OD2 3.32Å; K251-D273 HydrophobicContact CB-CB 3.87Å; K251-D273 PolarHBondContact N-OD2 3.22Å; A252-D273 HydrophobicContact CB-CB 4.26Å; S271-D273 VanDerWaalsContact CB-OD1 3.31Å; S271-D273 WeakPolarHBondContact CB-OD1 3.38Å; S271-D273 PolarHBondContact O-N 2.8Å; S271-D273 VanDerWaalsContact OG-CG 3.3Å; S271-D273 PolarHBondContact OG-N 2.99Å; S271-D273 PolarHBondContact OG-OD1 2.57Å; D273-T275 PolarHBondContact O-N 2.98Å; D273-T275 WeakPolarHBondContact OD1-CB 3.31Å; D273-T275 PolarHBondContact OD1-N 3.49Å; D273-T275 VanDerWaalsContact OD1-N 3.07Å; D273-T275 PolarHBondContact OD1-OG1 3.09Å
274	A	93.8	Very high	93.8	Very high	19 Å²	19	30.7 Å²	30.7	16%	0.157	15%	0.152	C	C	.	.	S	Bend	trans	62.6	21.6	-179.6	0	0	0	0	0	114.8	S271 V272 H296 K298	S271-A274 PolarHBondContact O-N 2.85Å; V272-A274 PolarHBondContact O-N 3.25Å; A274-H296 WeakPolarHBondContact CB-O 3.27Å; A274-H296 PolarHBondContact O-N 3.18Å; A274-K298 WeakPolarHBondContact CA-O 3.5Å; A274-K298 VanDerWaalsContact CB-C 3.44Å; A274-K298 WeakPolarHBondContact CB-O 3.44Å
275	T	94.8	Very high	94	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.1	168.4	68.9	0	0	0	0	112.1	H250 S271 D273 E293 M294	H250-T275 PolarHBondContact CE1-OG1 2.68Å; H250-T275 PolarHBondContact ND1-OG1 3.16Å; S271-T275 PolarHBondContact N-O 3.02Å; D273-T275 PolarHBondContact O-N 2.98Å; D273-T275 WeakPolarHBondContact OD1-CB 3.31Å; D273-T275 PolarHBondContact OD1-N 3.49Å; D273-T275 VanDerWaalsContact OD1-N 3.07Å; D273-T275 PolarHBondContact OD1-OG1 3.09Å; T275-E293 HydrophobicContact CG2-CG 4.09Å; T275-M294 WeakPolarHBondContact CA-O 3.25Å
276	V	95.3	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.5	157.5	-172.8	0	0	0	0	107.3	T269 M294 V300 L307 T309	T269-V276 CarbonylContact O-C 3.28Å; T269-V276 VanDerWaalsContact O-CA 3.29Å; T269-V276 WeakPolarHBondContact O-CA 3.38Å; T269-V276 WeakPolarHBondContact O-CG1 3.31Å; V276-M294 HydrophobicContact CB-CB 4.3Å; V276-M294 HydrophobicContact CB-SD 4.47Å; V276-M294 PolarHBondContact N-O 3.01Å; V276-M294 PolarHBondContact O-N 2.78Å; V276-V300 HydrophobicContact CG2-CB 3.75Å; V276-V300 HydrophobicContact CG2-CG1 3.44Å; V276-V300 VanDerWaalsContact CG2-CG1 3.44Å; V276-V300 HydrophobicContact CG2-CG2 4.08Å; V276-L307 HydrophobicContact CG1-CD2 4.02Å; V276-T309 HydrophobicContact CG2-CG2 4Å
277	K	95.3	Very high	94	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.4	-176.3	-67.2	-174.2	178.1	-143.5	0	111.5	A268 T269 W279 Y290 A292 E293	A268-K277 CarbonylContact C-O 3.25Å; A268-K277 WeakPolarHBondContact CA-O 3.25Å; T269-K277 PolarHBondContact N-O 2.99Å; T269-K277 PolarHBondContact O-N 2.86Å; K277-W279 HydrophobicContact CB-CZ2 3.64Å; K277-W279 HydrophobicContact CD-CH2 3.85Å; K277-W279 HydrophobicContact CD-CZ2 3.42Å; K277-W279 VanDerWaalsContact CD-CZ2 3.42Å; K277-W279 HydrophobicContact CG-CZ2 4.16Å; K277-Y290 HydrophobicContact CD-CD1 4.28Å; K277-Y290 HydrophobicContact CD-CG 4.48Å; K277-A292 WeakPolarHBondContact CA-O 3.36Å; K277-E293 WeakPolarHBondContact CE-OE1 3.42Å; K277-E293 HydrophobicContact CG-CB 4.44Å; K277-E293 HydrophobicContact CG-CG 4.29Å; K277-E293 IonicContact NZ-OE1 3.23Å; K277-E293 PolarHBondContact NZ-OE1 3.33Å
278	L	95.1	Very high	93.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140	171	-63	-174.6	0	0	0	110.4	L266 M267 A268 Y290 I291 A292 M294 L307 W324	L266-L278 HydrophobicContact CD1-CB 4.17Å; L266-L278 HydrophobicContact CD1-CD1 4.49Å; M267-L278 CarbonylContact O-C 3.48Å; M267-L278 WeakPolarHBondContact O-CA 3.36Å; A268-L278 HydrophobicContact CB-CD2 3.67Å; L278-Y290 CarbonylContact O-C 3.59Å; L278-Y290 WeakPolarHBondContact O-CA 3.35Å; L278-Y290 WeakPolarHBondContact O-CB 3.34Å; L278-I291 HydrophobicContact CB-CB 4.34Å; L278-I291 PolarHBondContact O-N 3.17Å; L278-A292 HydrophobicContact CB-CB 4.35Å; L278-A292 HydrophobicContact CD1-CB 4.34Å; L278-A292 HydrophobicContact CG-CB 4.47Å; L278-A292 PolarHBondContact N-O 3.07Å; L278-M294 HydrophobicContact CD1-CE 3.86Å; L278-M294 HydrophobicContact CG-CE 3.97Å; L278-M294 HydrophobicContact CG-SD 4.41Å; L278-L307 HydrophobicContact CD2-CD2 4.42Å; L278-W324 HydrophobicContact CD1-CB 4.26Å; L278-W324 HydrophobicContact CD1-CD2 3.45Å; L278-W324 VanDerWaalsContact CD1-CD2 3.45Å; L278-W324 VanDerWaalsContact CD1-CE2 3.5Å; L278-W324 HydrophobicContact CD1-CE3 4.03Å; L278-W324 HydrophobicContact CD1-CG 3.57Å; L278-W324 HydrophobicContact CD1-CZ2 4.09Å
279	W	95.7	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.6	-174.2	-51.3	90.7	0	0	0	111.7	L249 L266 M267 T269 K277 I284 Y290 I291	L249-W279 HydrophobicContact CB-CH2 3.69Å; L249-W279 HydrophobicContact CB-CZ2 3.64Å; L249-W279 HydrophobicContact CD1-CD2 4.1Å; L249-W279 HydrophobicContact CD1-CE3 4.3Å; L249-W279 HydrophobicContact CD1-CH2 4.01Å; L249-W279 HydrophobicContact CD1-CZ2 3.76Å; L249-W279 HydrophobicContact CD1-CZ3 4.25Å; L249-W279 HydrophobicContact CD2-CH2 3.89Å; L249-W279 HydrophobicContact CD2-CZ2 4.47Å; L249-W279 HydrophobicContact CD2-CZ3 3.94Å; L249-W279 HydrophobicContact CG-CH2 4.06Å; L249-W279 HydrophobicContact CG-CZ2 4.16Å; L249-W279 HydrophobicContact CG-CZ3 4.47Å; L266-W279 WeakPolarHBondContact CA-O 3.43Å; M267-W279 PolarHBondContact N-O 2.93Å; M267-W279 VanDerWaalsContact N-O 3.11Å; M267-W279 PolarHBondContact O-N 3.22Å; T269-W279 PolarHBondContact OG1-NE1 2.81Å; K277-W279 HydrophobicContact CB-CZ2 3.64Å; K277-W279 HydrophobicContact CD-CH2 3.85Å; K277-W279 HydrophobicContact CD-CZ2 3.42Å; K277-W279 VanDerWaalsContact CD-CZ2 3.42Å; K277-W279 HydrophobicContact CG-CZ2 4.16Å; W279-I284 HydrophobicContact CB-CD1 4.16Å; W279-I284 HydrophobicContact CD2-CD1 4.16Å; W279-I284 HydrophobicContact CE3-CD1 3.98Å; W279-I284 HydrophobicContact CE3-CG1 4.1Å; W279-I284 HydrophobicContact CG-CD1 4.24Å; W279-Y290 HydrophobicContact CH2-CD1 4.33Å; W279-Y290 HydrophobicContact CZ3-CD1 4.46Å; W279-I291 VanDerWaalsContact C-CD1 3.49Å
280	D	95.1	Very high	93.9	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.171	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.3	165.1	-172.3	-21.8	0	0	0	109.3	W265 R282 N283 I284 I291	W265-D280 HydrophobicContact CE3-CB 3.99Å; W265-D280 HydrophobicContact CZ3-CB 4.3Å; W265-D280 CarbonylContact O-C 3.49Å; W265-D280 WeakPolarHBondContact O-CA 3.06Å; D280-R282 PolarHBondContact O-N 1.99Å; D280-R282 WeakPolarHBondContact OD1-CB 3.28Å; D280-R282 WeakPolarHBondContact OD1-CG 3.24Å; D280-R282 IonicContact OD1-CZ 3.4Å; D280-R282 PolarHBondContact OD1-N 3.46Å; D280-R282 IonicContact OD1-NE 2.81Å; D280-R282 PolarHBondContact OD1-NE 3.28Å; D280-R282 IonicContact OD1-NH2 2.71Å; D280-R282 IonicContact OD2-CZ 2.63Å; D280-R282 IonicContact OD2-NE 3.76Å; D280-R282 PolarHBondContact OD2-NE 3.41Å; D280-R282 IonicContact OD2-NH2 3.13Å; D280-R282 PolarHBondContact OD2-NH2 2.79Å; D280-N283 CarbonylContact O-C 3.52Å; D280-N283 PolarHBondContact O-N 2.99Å; D280-I284 PolarHBondContact O-N 3.39Å; D280-I291 HydrophobicContact CB-CD1 4.05Å; D280-I291 HydrophobicContact CB-CG1 4.27Å
281	L	93.1	Very high	93.8	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.042	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.1	-178.7	-58.9	177.2	0	0	0	114.3	R222 L236 F259 W265 M267 I284	R222-L281 PolarHBondContact NH2-O 2.81Å; L236-L281 HydrophobicContact CD1-CD2 3.84Å; F259-L281 HydrophobicContact CD1-CD1 3.63Å; F259-L281 HydrophobicContact CE1-CD1 3.52Å; W265-L281 WeakPolarHBondContact O-CB 3.45Å; W265-L281 WeakPolarHBondContact O-CG 3.38Å; W265-L281 PolarHBondContact O-N 3.18Å; M267-L281 HydrophobicContact CB-CD1 4.13Å; M267-L281 HydrophobicContact CB-CD2 3.93Å; M267-L281 HydrophobicContact CB-CG 4.05Å; M267-L281 HydrophobicContact CE-CD1 4.09Å; M267-L281 HydrophobicContact CE-CD2 4.21Å; M267-L281 HydrophobicContact SD-CD2 4.01Å; L281-I284 HydrophobicContact CD2-CD1 4.47Å
282	R	92.4	Very high	93.7	Very high	155 Å²	155	52.3 Å²	52.3	59%	0.585	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-20	172.5	-54.7	168.3	-64.6	179.1	2.3	112.9	W265 D280	W265-R282 HydrophobicContact CB-CG 3.79Å; D280-R282 PolarHBondContact O-N 1.99Å; D280-R282 WeakPolarHBondContact OD1-CB 3.28Å; D280-R282 WeakPolarHBondContact OD1-CG 3.24Å; D280-R282 IonicContact OD1-CZ 3.4Å; D280-R282 PolarHBondContact OD1-N 3.46Å; D280-R282 IonicContact OD1-NE 2.81Å; D280-R282 PolarHBondContact OD1-NE 3.28Å; D280-R282 IonicContact OD1-NH2 2.71Å; D280-R282 IonicContact OD2-CZ 2.63Å; D280-R282 IonicContact OD2-NE 3.76Å; D280-R282 PolarHBondContact OD2-NE 3.41Å; D280-R282 IonicContact OD2-NH2 3.13Å; D280-R282 PolarHBondContact OD2-NH2 2.79Å
283	N	92.6	Very high	93.7	Very high	95 Å²	95	53.3 Å²	53.3	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	-135.5	21.4	-178.5	-169.4	37.3	0	0	0	112.4	D280 K285	D280-N283 CarbonylContact O-C 3.52Å; D280-N283 PolarHBondContact O-N 2.99Å; N283-K285 WeakPolarHBondContact OD1-CE 3.35Å; N283-K285 PolarHBondContact OD1-NZ 2.78Å; N283-K285 VanDerWaalsContact OD1-NZ 3.08Å
284	I	94.4	Very high	93.7	Very high	20 Å²	20	51.8 Å²	51.8	10%	0.103	25%	0.25	C	S	.	.			trans	-72.5	127	173.1	-164.7	173.5	0	0	0	109.7	L234 F245 L249 W279 D280 L281	L234-I284 HydrophobicContact CD2-CD1 4.38Å; F245-I284 HydrophobicContact CD1-CD1 4.43Å; F245-I284 HydrophobicContact CD2-CG2 4.14Å; F245-I284 HydrophobicContact CE1-CD1 3.82Å; F245-I284 HydrophobicContact CE1-CG1 4.14Å; F245-I284 HydrophobicContact CE2-CG1 4.15Å; F245-I284 HydrophobicContact CE2-CG2 4.1Å; F245-I284 HydrophobicContact CG-CG2 4.46Å; F245-I284 HydrophobicContact CZ-CD1 3.94Å; F245-I284 HydrophobicContact CZ-CG1 3.72Å; F245-I284 HydrophobicContact CZ-CG2 4.39Å; L249-I284 HydrophobicContact CD1-CD1 3.84Å; W279-I284 HydrophobicContact CB-CD1 4.16Å; W279-I284 HydrophobicContact CD2-CD1 4.16Å; W279-I284 HydrophobicContact CE3-CD1 3.98Å; W279-I284 HydrophobicContact CE3-CG1 4.1Å; W279-I284 HydrophobicContact CG-CD1 4.24Å; D280-I284 PolarHBondContact O-N 3.39Å; L281-I284 HydrophobicContact CD2-CD1 4.47Å
285	K	91.4	Very high	93.7	Very high	143 Å²	143	55.1 Å²	55.1	62%	0.622	27%	0.27	S	S	*	.			trans	-135.4	-46.1	-178.4	-63.4	174	-174	164.6	0	111.7	N283 S289	N283-K285 WeakPolarHBondContact OD1-CE 3.35Å; N283-K285 PolarHBondContact OD1-NZ 2.78Å; N283-K285 VanDerWaalsContact OD1-NZ 3.08Å; K285-S289 PolarHBondContact N-OG 2.83Å
286	D	93.2	Very high	93.4	Very high	56 Å²	56	55.1 Å²	55.1	30%	0.299	27%	0.269	S	S	.	.	S	Bend	trans	-145.1	179.8	-173.5	83.7	-28.9	0	0	0	112.5	N288 S289	D286-N288 PolarHBondContact O-N 3.31Å; D286-N288 VanDerWaalsContact O-N 3.08Å; D286-N288 WeakPolarHBondContact OD1-CA 3.45Å; D286-N288 WeakPolarHBondContact OD1-CB 3.21Å; D286-N288 PolarHBondContact OD1-N 3.37Å; D286-N288 WeakPolarHBondContact OD2-CB 3.35Å; D286-N288 PolarHBondContact OD2-ND2 2.98Å; D286-S289 PolarHBondContact N-OG 2.59Å; D286-S289 VanDerWaalsContact O-CB 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.45Å; D286-S289 PolarHBondContact O-N 2.68Å; D286-S289 PolarHBondContact O-OG 2.62Å; D286-S289 PolarHBondContact OD1-N 2.8Å; D286-S289 PolarHBondContact OD1-OG 3.02Å
287	K	91.6	Very high	92	Very high	121 Å²	121	60.9 Å²	60.9	53%	0.526	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15	175.8	73.6	-166.3	177.9	-169	0	115.9	K248 Y290	K248-K287 WeakPolarHBondContact O-CB 3.49Å; K287-Y290 WeakPolarHBondContact O-CD1 3.37Å
288	N	91.8	Very high	91	Very high	98 Å²	98	63.3 Å²	63.3	52%	0.524	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-9.5	179.1	-54.5	-58.8	0	0	0	112	D286 Y290	D286-N288 PolarHBondContact O-N 3.31Å; D286-N288 VanDerWaalsContact O-N 3.08Å; D286-N288 WeakPolarHBondContact OD1-CA 3.45Å; D286-N288 WeakPolarHBondContact OD1-CB 3.21Å; D286-N288 PolarHBondContact OD1-N 3.37Å; D286-N288 WeakPolarHBondContact OD2-CB 3.35Å; D286-N288 PolarHBondContact OD2-ND2 2.98Å; N288-Y290 PolarHBondContact O-N 3.2Å
289	S	93.3	Very high	89.6	Confident	31 Å²	31	64.2 Å²	64.2	22%	0.217	31%	0.313	C	S	.	.			trans	-76.5	29	-177.4	-55.5	0	0	0	0	114.1	K285 D286	K285-S289 PolarHBondContact N-OG 2.83Å; D286-S289 PolarHBondContact N-OG 2.59Å; D286-S289 VanDerWaalsContact O-CB 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.45Å; D286-S289 PolarHBondContact O-N 2.68Å; D286-S289 PolarHBondContact O-OG 2.62Å; D286-S289 PolarHBondContact OD1-N 2.8Å; D286-S289 PolarHBondContact OD1-OG 3.02Å
290	Y	95	Very high	88.3	Confident	87 Å²	87	64.2 Å²	64.2	34%	0.341	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	148.7	178.4	58.5	-97.1	0	0	0	111.5	K277 L278 W279 K287 N288 E293	K277-Y290 HydrophobicContact CD-CD1 4.28Å; K277-Y290 HydrophobicContact CD-CG 4.48Å; L278-Y290 CarbonylContact O-C 3.59Å; L278-Y290 WeakPolarHBondContact O-CA 3.35Å; L278-Y290 WeakPolarHBondContact O-CB 3.34Å; W279-Y290 HydrophobicContact CH2-CD1 4.33Å; W279-Y290 HydrophobicContact CZ3-CD1 4.46Å; K287-Y290 WeakPolarHBondContact O-CD1 3.37Å; N288-Y290 PolarHBondContact O-N 3.2Å; Y290-E293 HydrophobicContact CD2-CB 4Å; Y290-E293 HydrophobicContact CE2-CB 3.74Å
291	I	94.3	Very high	86.6	Confident	89 Å²	89	63 Å²	63	46%	0.456	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-40.1	174.6	-48.9	166.5	0	0	0	110.1	W265 L266 L278 W279 D280	W265-I291 HydrophobicContact CZ3-CD1 3.86Å; L266-I291 HydrophobicContact CD1-CD1 3.7Å; L278-I291 HydrophobicContact CB-CB 4.34Å; L278-I291 PolarHBondContact O-N 3.17Å; W279-I291 VanDerWaalsContact C-CD1 3.49Å; D280-I291 HydrophobicContact CB-CD1 4.05Å; D280-I291 HydrophobicContact CB-CG1 4.27Å
292	A	92.9	Very high	85.1	Confident	18 Å²	18	63.1 Å²	63.1	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.6	-179.9	0	0	0	0	0	110.1	K277 L278 M294 W324	K277-A292 WeakPolarHBondContact CA-O 3.36Å; L278-A292 HydrophobicContact CB-CB 4.35Å; L278-A292 HydrophobicContact CD1-CB 4.34Å; L278-A292 HydrophobicContact CG-CB 4.47Å; L278-A292 PolarHBondContact N-O 3.07Å; A292-M294 HydrophobicContact CB-CE 4.49Å; A292-M294 HydrophobicContact CB-SD 4.43Å; A292-W324 HydrophobicContact CB-CB 3.93Å
293	E	94.6	Very high	83.9	Confident	79 Å²	79	57.1 Å²	57.1	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.8	171.2	-179.9	176.3	-105.3	0	0	107.6	T275 K277 Y290 P295	T275-E293 HydrophobicContact CG2-CG 4.09Å; K277-E293 WeakPolarHBondContact CE-OE1 3.42Å; K277-E293 HydrophobicContact CG-CB 4.44Å; K277-E293 HydrophobicContact CG-CG 4.29Å; K277-E293 IonicContact NZ-OE1 3.23Å; K277-E293 PolarHBondContact NZ-OE1 3.33Å; Y290-E293 HydrophobicContact CD2-CB 4Å; Y290-E293 HydrophobicContact CE2-CB 3.74Å; E293-P295 WeakPolarHBondContact O-CD 3.35Å
294	M	93.3	Very high	82.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.4	176.4	-60.4	88.3	158.1	0	0	109.4	T275 V276 L278 A292 L307 Y319 W324	T275-M294 WeakPolarHBondContact CA-O 3.25Å; V276-M294 HydrophobicContact CB-CB 4.3Å; V276-M294 HydrophobicContact CB-SD 4.47Å; V276-M294 PolarHBondContact N-O 3.01Å; V276-M294 PolarHBondContact O-N 2.78Å; L278-M294 HydrophobicContact CD1-CE 3.86Å; L278-M294 HydrophobicContact CG-CE 3.97Å; L278-M294 HydrophobicContact CG-SD 4.41Å; A292-M294 HydrophobicContact CB-CE 4.49Å; A292-M294 HydrophobicContact CB-SD 4.43Å; M294-L307 HydrophobicContact CE-CD2 3.56Å; M294-L307 HydrophobicContact SD-CD2 4.24Å; M294-Y319 HydrophobicContact CB-CE1 3.99Å; M294-Y319 HydrophobicContact CB-CE2 4.45Å; M294-Y319 HydrophobicContact CE-CD1 4.4Å; M294-Y319 HydrophobicContact CE-CG 4.41Å; M294-Y319 HydrophobicContact CG-CD1 3.94Å; M294-Y319 HydrophobicContact CG-CE1 3.61Å; M294-Y319 HydrophobicContact CG-CE2 4.39Å; M294-Y319 HydrophobicContact CG-CG 4.48Å; M294-W324 HydrophobicContact CE-CB 3.86Å; M294-W324 HydrophobicContact CE-CD2 4.16Å; M294-W324 HydrophobicContact CE-CE3 3.74Å; M294-W324 HydrophobicContact CE-CG 4.26Å
295	P	92.6	Very high	80.5	Confident	89 Å²	89	57.5 Å²	57.5	58%	0.578	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.9	177.7	30.9	-33.7	0	0	0	111.8	E293 R317	E293-P295 WeakPolarHBondContact O-CD 3.35Å; P295-R317 PolarHBondContact O-NH1 2.86Å
296	H	89.3	Confident	79.6	Confident	16 Å²	16	52.8 Å²	52.8	7%	0.074	28%	0.275	C	S	.	.			trans	-114.9	163.3	170.8	-75.4	-118.7	0	0	0	110.1	A274 K298 V300 T309 R317 Y319	A274-H296 WeakPolarHBondContact CB-O 3.27Å; A274-H296 PolarHBondContact O-N 3.18Å; H296-K298 WeakPolarHBondContact CB-O 3.49Å; H296-K298 PolarHBondContact O-N 3.38Å; H296-V300 HydrophobicContact CB-CG2 3.53Å; H296-V300 VanDerWaalsContact CG-CG2 3.43Å; H296-T309 PolarHBondContact CE1-OG1 2.8Å; H296-T309 VanDerWaalsContact CE1-OG1 3.29Å; H296-R317 VanDerWaalsContact CE1-CD 3.43Å; H296-R317 WeakPolarHBondContact CE1-CD 3.29Å; H296-Y319 AromaticContact NE2-CE2 3.72Å; H296-Y319 AromaticContact NE2-CZ 3.76Å; H296-Y319 PolarHBondContact NE2-OH 2.86Å
297	E	65.3	Low	79.4	Confident	122 Å²	122	50.6 Å²	50.6	57%	0.57	26%	0.264	S	S	*	.	S	Bend	trans	-74.6	-15.3	173.3	-63.9	-156.7	163.8	0	0	113.9
298	K	73.6	Confident	79.4	Confident	64 Å²	64	44.9 Å²	44.9	28%	0.278	24%	0.239	S	C	.	.	S	Bend	trans	-145.8	158.4	-168.4	-58	-65.5	164.3	-65.1	0	110	A274 H296 V300 D311 R313	A274-K298 WeakPolarHBondContact CA-O 3.5Å; A274-K298 VanDerWaalsContact CB-C 3.44Å; A274-K298 WeakPolarHBondContact CB-O 3.44Å; H296-K298 WeakPolarHBondContact CB-O 3.49Å; H296-K298 PolarHBondContact O-N 3.38Å; K298-V300 VanDerWaalsContact O-CG2 3.24Å; K298-V300 WeakPolarHBondContact O-CG2 3.3Å; K298-D311 HydrophobicContact CB-CB 4.2Å; K298-D311 VanDerWaalsContact CB-OD2 3.23Å; K298-D311 WeakPolarHBondContact CB-OD2 3.06Å; K298-D311 VanDerWaalsContact CG-OD2 3.24Å; K298-D311 WeakPolarHBondContact CG-OD2 3.44Å; K298-R313 HydrophobicContact CG-CB 4.05Å
299	P	66.3	Low	79.5	Confident	25 Å²	25	40.2 Å²	40.2	16%	0.162	21%	0.214	C	C	.	.			trans	-42.7	144.1	168.4	-34.8	38.9	0	0	0	114.2	V272 D311 Q312	V272-P299 HydrophobicContact CB-CB 4.39Å; V272-P299 HydrophobicContact CB-CG 4.42Å; V272-P299 HydrophobicContact CG1-CB 4.25Å; V272-P299 HydrophobicContact CG1-CG 3.81Å; P299-D311 CarbonylContact O-C 3.6Å; P299-D311 VanDerWaalsContact O-C 3.23Å; P299-D311 VanDerWaalsContact O-CA 3.27Å; P299-D311 WeakPolarHBondContact O-CA 3.39Å; P299-Q312 HydrophobicContact CB-CB 4.07Å; P299-Q312 HydrophobicContact CB-CG 3.81Å; P299-Q312 PolarHBondContact O-N 3.01Å
300	V	68.4	Low	79.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.			trans	-126.4	152.1	-169.2	-165.3	0	0	0	0	112.5	T255 S270 S271 V276 H296 K298 T309 T310	T255-V300 WeakPolarHBondContact CB-O 3.48Å; T255-V300 PolarHBondContact OG1-O 3.48Å; S270-V300 PolarHBondContact OG-O 2.92Å; S271-V300 PolarHBondContact O-N 3.18Å; S271-V300 VanDerWaalsContact O-N 3.11Å; V276-V300 HydrophobicContact CG2-CB 3.75Å; V276-V300 HydrophobicContact CG2-CG1 3.44Å; V276-V300 VanDerWaalsContact CG2-CG1 3.44Å; V276-V300 HydrophobicContact CG2-CG2 4.08Å; H296-V300 HydrophobicContact CB-CG2 3.53Å; H296-V300 VanDerWaalsContact CG-CG2 3.43Å; K298-V300 VanDerWaalsContact O-CG2 3.24Å; K298-V300 WeakPolarHBondContact O-CG2 3.3Å; V300-T309 HydrophobicContact CG1-CG2 4.17Å; V300-T310 CarbonylContact C-O 3.23Å; V300-T310 WeakPolarHBondContact CA-O 3.33Å
301	N	59.1	Low	79.4	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.2	161.8	-56.9	-72.6	0	0	0	109.3	T309 T310 I344 K345	N301-T309 CarbonylContact O-C 3.55Å; N301-T309 VanDerWaalsContact O-CA 3.3Å; N301-T309 WeakPolarHBondContact O-CA 3.16Å; N301-T310 PolarHBondContact N-O 2.57Å; N301-T310 PolarHBondContact O-N 2.99Å; N301-I344 PolarHBondContact ND2-O 3.28Å; N301-K345 HydrophobicContact CB-CD 4.19Å; N301-K345 HydrophobicContact CB-CG 3.92Å; N301-K345 VanDerWaalsContact OD1-CE 3.31Å; N301-K345 WeakPolarHBondContact OD1-CE 3.11Å
302	A	62.6	Low	79.2	Confident	10 Å²	10	32.6 Å²	32.6	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.7	-179.6	0	0	0	0	0	114.5	H256 L307 L308	H256-A302 PolarHBondContact CD2-O 2.82Å; H256-A302 PolarHBondContact NE2-O 3.37Å; A302-L307 HydrophobicContact CB-CD1 4.08Å; A302-L308 CarbonylContact C-O 3.52Å; A302-L308 WeakPolarHBondContact CA-O 3.14Å
303	D	66.6	Low	79.1	Confident	30 Å²	30	36.8 Å²	36.8	16%	0.16	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.3	174.2	-173.5	19.1	0	0	0	109.9	L308 T347 W348	D303-L308 HydrophobicContact CB-CB 4.3Å; D303-L308 HydrophobicContact CB-CD2 4.39Å; D303-L308 PolarHBondContact N-O 3.42Å; D303-L308 PolarHBondContact O-N 2.79Å; D303-T347 WeakPolarHBondContact OD2-CA 3.29Å; D303-T347 WeakPolarHBondContact OD2-CB 3.33Å; D303-W348 PolarHBondContact OD2-N 3.15Å
304	S	61.7	Low	79.1	Confident	21 Å²	21	34.5 Å²	34.5	15%	0.147	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-173.1	-149.9	77.4	0	0	0	0	119.6	E258 K306 W348	E258-S304 VanDerWaalsContact CD-CB 3.48Å; E258-S304 WeakPolarHBondContact OE1-CB 3.1Å; E258-S304 PolarHBondContact OE1-OG 2.91Å; S304-K306 CarbonylContact C-O 3.56Å; S304-K306 VanDerWaalsContact C-O 3.25Å; S304-K306 PolarHBondContact O-N 3.34Å; S304-K306 VanDerWaalsContact O-O 3.12Å; S304-W348 PolarHBondContact O-NE1 3.29Å
305	T	54.2	Low	79.2	Confident	101 Å²	101	35.9 Å²	35.9	62%	0.62	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-68.5	-163.7	73.6	0	0	0	0	114.9
306	K	72.7	Confident	79.3	Confident	44 Å²	44	31.7 Å²	31.7	19%	0.191	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	139.9	150.5	-82.9	171.7	171	167.2	0	106.1	S304 L308 V318 W348 D353 N379	S304-K306 CarbonylContact C-O 3.56Å; S304-K306 VanDerWaalsContact C-O 3.25Å; S304-K306 PolarHBondContact O-N 3.34Å; S304-K306 VanDerWaalsContact O-O 3.12Å; K306-L308 PolarHBondContact O-N 3Å; K306-V318 HydrophobicContact CB-CG1 4.26Å; K306-V318 HydrophobicContact CD-CG1 4.3Å; K306-W348 HydrophobicContact CB-CH2 3.79Å; K306-W348 HydrophobicContact CB-CZ2 3.37Å; K306-W348 HydrophobicContact CD-CH2 3.95Å; K306-W348 HydrophobicContact CD-CZ2 4.41Å; K306-W348 PolarHBondContact O-NE1 3.15Å; K306-D353 IonicContact NZ-OD2 3.59Å; K306-D353 PolarHBondContact NZ-OD2 2.68Å; K306-N379 PolarHBondContact NZ-OD1 3.05Å
307	L	87.8	Confident	79.6	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	99.3	-177.7	-175.5	72	0	0	0	108.7	A268 V276 L278 M294 A302 T309 Y319 W324	A268-L307 HydrophobicContact CB-CD1 3.83Å; V276-L307 HydrophobicContact CG1-CD2 4.02Å; L278-L307 HydrophobicContact CD2-CD2 4.42Å; M294-L307 HydrophobicContact CE-CD2 3.56Å; M294-L307 HydrophobicContact SD-CD2 4.24Å; A302-L307 HydrophobicContact CB-CD1 4.08Å; L307-T309 HydrophobicContact CD2-CG2 4.41Å; L307-T309 HydrophobicContact CG-CG2 4.16Å; L307-Y319 HydrophobicContact CD2-CD2 4.3Å; L307-Y319 PolarHBondContact N-O 3.33Å; L307-Y319 VanDerWaalsContact N-O 3.09Å; L307-Y319 PolarHBondContact O-N 3.4Å; L307-W324 HydrophobicContact CB-CH2 4.24Å; L307-W324 HydrophobicContact CB-CZ3 3.67Å; L307-W324 HydrophobicContact CD2-CZ3 4.45Å
308	L	92.8	Very high	80.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.6	169.8	-179.5	61.2	0	0	0	108.3	A302 D303 K306 I316 V318 A346 W348 I355	A302-L308 CarbonylContact C-O 3.52Å; A302-L308 WeakPolarHBondContact CA-O 3.14Å; D303-L308 HydrophobicContact CB-CB 4.3Å; D303-L308 HydrophobicContact CB-CD2 4.39Å; D303-L308 PolarHBondContact N-O 3.42Å; D303-L308 PolarHBondContact O-N 2.79Å; K306-L308 PolarHBondContact O-N 3Å; L308-I316 HydrophobicContact CD1-CG2 3.52Å; L308-V318 HydrophobicContact CD1-CG2 4.26Å; L308-A346 HydrophobicContact CD2-CB 4.02Å; L308-A346 WeakPolarHBondContact CD2-O 3.49Å; L308-A346 HydrophobicContact CG-CB 4.43Å; L308-W348 HydrophobicContact CB-CZ2 3.77Å; L308-W348 VanDerWaalsContact CB-NE1 3.34Å; L308-W348 HydrophobicContact CD2-CD2 4.45Å; L308-W348 HydrophobicContact CD2-CG 4.48Å; L308-I355 HydrophobicContact CD1-CD1 3.65Å; L308-I355 HydrophobicContact CD1-CG1 3.88Å; L308-I355 HydrophobicContact CD1-CG2 4.09Å; L308-I355 HydrophobicContact CD2-CG1 4.16Å; L308-I355 HydrophobicContact CD2-CG2 3.98Å
309	T	93.1	Very high	81.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.8	178.3	56.4	0	0	0	0	109.7	V276 H296 V300 N301 L307 I316 R317 Y319	V276-T309 HydrophobicContact CG2-CG2 4Å; H296-T309 PolarHBondContact CE1-OG1 2.8Å; H296-T309 VanDerWaalsContact CE1-OG1 3.29Å; V300-T309 HydrophobicContact CG1-CG2 4.17Å; N301-T309 CarbonylContact O-C 3.55Å; N301-T309 VanDerWaalsContact O-CA 3.3Å; N301-T309 WeakPolarHBondContact O-CA 3.16Å; L307-T309 HydrophobicContact CD2-CG2 4.41Å; L307-T309 HydrophobicContact CG-CG2 4.16Å; T309-I316 CarbonylContact O-C 3.55Å; T309-I316 VanDerWaalsContact O-CA 3.26Å; T309-I316 WeakPolarHBondContact O-CA 3.47Å; T309-R317 PolarHBondContact N-O 2.77Å; T309-R317 PolarHBondContact O-N 2.71Å; T309-R317 WeakPolarHBondContact OG1-CB 3.3Å; T309-R317 PolarHBondContact OG1-N 2.95Å; T309-R317 PolarHBondContact OG1-O 3.32Å; T309-Y319 HydrophobicContact CG2-CD2 4.1Å; T309-Y319 HydrophobicContact CG2-CE2 3.87Å
310	T	93.3	Very high	82.9	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.8	178.7	-50.2	0	0	0	0	107.2	V300 N301 I316 H335 I344 A346	V300-T310 CarbonylContact C-O 3.23Å; V300-T310 WeakPolarHBondContact CA-O 3.33Å; N301-T310 PolarHBondContact N-O 2.57Å; N301-T310 PolarHBondContact O-N 2.99Å; T310-I316 HydrophobicContact CG2-CG1 4.47Å; T310-H335 WeakPolarHBondContact CG2-CD2 2.87Å; T310-H335 WeakPolarHBondContact CG2-NE2 3.28Å; T310-I344 WeakPolarHBondContact CG2-O 3.38Å; T310-A346 HydrophobicContact CG2-CB 4.45Å; T310-A346 VanDerWaalsContact OG1-CB 3.25Å; T310-A346 WeakPolarHBondContact OG1-CB 3.47Å; T310-A346 PolarHBondContact OG1-N 3.08Å
311	D	92.6	Very high	83.8	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.146	C	C	.	.			trans	-78.2	-164.8	178.3	98.9	-41	0	0	0	111.8	K298 P299 R313 N314 E315 H335	K298-D311 HydrophobicContact CB-CB 4.2Å; K298-D311 VanDerWaalsContact CB-OD2 3.23Å; K298-D311 WeakPolarHBondContact CB-OD2 3.06Å; K298-D311 VanDerWaalsContact CG-OD2 3.24Å; K298-D311 WeakPolarHBondContact CG-OD2 3.44Å; P299-D311 CarbonylContact O-C 3.6Å; P299-D311 VanDerWaalsContact O-C 3.23Å; P299-D311 VanDerWaalsContact O-CA 3.27Å; P299-D311 WeakPolarHBondContact O-CA 3.39Å; D311-R313 VanDerWaalsContact CG-N 3.3Å; D311-R313 WeakPolarHBondContact OD1-CA 3.31Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 WeakPolarHBondContact OD2-CB 3.3Å; D311-R313 PolarHBondContact OD2-N 2.66Å; D311-N314 PolarHBondContact OD1-N 3.18Å; D311-E315 HydrophobicContact CB-CB 4.28Å; D311-E315 PolarHBondContact N-O 2.95Å; D311-E315 PolarHBondContact OD1-N 2.88Å; D311-H335 PolarHBondContact N-NE2 3.38Å; D311-H335 PolarHBondContact O-CD2 2.61Å; D311-H335 PolarHBondContact O-NE2 2.98Å; D311-H335 IonicContact OD1-CE1 2.61Å; D311-H335 PolarHBondContact OD1-CE1 2.95Å; D311-H335 IonicContact OD1-NE2 2.7Å; D311-H335 PolarHBondContact OD1-NE2 2.87Å
312	Q	91.4	Very high	85.2	Confident	42 Å²	42	34.5 Å²	34.5	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	-110.4	22.1	175.4	-83.5	-172.3	17.2	0	0	113.1	P299 R336 Q337	P299-Q312 HydrophobicContact CB-CB 4.07Å; P299-Q312 HydrophobicContact CB-CG 3.81Å; P299-Q312 PolarHBondContact O-N 3.01Å; Q312-R336 WeakPolarHBondContact O-CA 3.41Å; Q312-Q337 HydrophobicContact CB-CB 3.77Å; Q312-Q337 HydrophobicContact CG-CB 3.91Å; Q312-Q337 HydrophobicContact CG-CG 4.42Å; Q312-Q337 PolarHBondContact O-N 3.48Å
313	R	90.7	Very high	86.5	Confident	106 Å²	106	36.1 Å²	36.1	40%	0.4	18%	0.181	S	C	.	.	S	Bend	trans	-139.4	-74.3	179.8	-167.6	-175.2	-177.1	-163.8	3.7	112.7	K298 D311 H335 R336	K298-R313 HydrophobicContact CG-CB 4.05Å; D311-R313 VanDerWaalsContact CG-N 3.3Å; D311-R313 WeakPolarHBondContact OD1-CA 3.31Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 WeakPolarHBondContact OD2-CB 3.3Å; D311-R313 PolarHBondContact OD2-N 2.66Å; R313-H335 CarbonylContact O-C 3.57Å; R313-H335 PolarHBondContact O-N 2.7Å; R313-R336 WeakPolarHBondContact O-CA 3.39Å; R313-R336 PolarHBondContact O-N 3.24Å; R313-R336 VanDerWaalsContact O-N 3.08Å
314	N	93.3	Very high	87.6	Confident	32 Å²	32	37 Å²	37	17%	0.171	18%	0.182	C	C	.	.	S	Bend	trans	-156.5	8.5	-167.1	69.3	-72.8	0	0	0	116.4	D311 I332 H333	D311-N314 PolarHBondContact OD1-N 3.18Å; N314-I332 WeakPolarHBondContact O-CA 3.29Å; N314-H333 CarbonylContact C-O 3.56Å; N314-H333 VanDerWaalsContact C-O 3.31Å; N314-H333 WeakPolarHBondContact CA-O 3.46Å; N314-H333 PolarHBondContact O-N 2.8Å
315	E	95.1	Very high	89	Confident	30 Å²	30	40.6 Å²	40.6	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.1	-178.9	-67.5	-168	168.3	0	0	113.1	D311 R317 I332 H335	D311-E315 HydrophobicContact CB-CB 4.28Å; D311-E315 PolarHBondContact N-O 2.95Å; D311-E315 PolarHBondContact OD1-N 2.88Å; E315-R317 IonicContact OE1-NH2 3.4Å; E315-R317 IonicContact OE2-CZ 3.72Å; E315-R317 IonicContact OE2-NE 3.93Å; E315-R317 PolarHBondContact OE2-NE 3.41Å; E315-R317 IonicContact OE2-NH2 2.74Å; E315-R317 PolarHBondContact OE2-NH2 2.89Å; E315-I332 HydrophobicContact CG-CD1 4.2Å; E315-H335 PolarHBondContact N-CE1 2.81Å; E315-H335 PolarHBondContact O-CE1 2.95Å
316	I	95.5	Very high	90.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.5	162.7	-63.3	170.3	0	0	0	106.9	L308 T309 T310 I331 H333 A346 I355 A357	L308-I316 HydrophobicContact CD1-CG2 3.52Å; T309-I316 CarbonylContact O-C 3.55Å; T309-I316 VanDerWaalsContact O-CA 3.26Å; T309-I316 WeakPolarHBondContact O-CA 3.47Å; T310-I316 HydrophobicContact CG2-CG1 4.47Å; I316-I331 HydrophobicContact CB-CB 4.25Å; I316-I331 PolarHBondContact N-O 2.91Å; I316-I331 PolarHBondContact O-N 2.88Å; I316-H333 HydrophobicContact CD1-CB 4.01Å; I316-A346 HydrophobicContact CD1-CB 3.9Å; I316-A346 HydrophobicContact CG1-CB 4.28Å; I316-A346 HydrophobicContact CG2-CB 4.28Å; I316-I355 HydrophobicContact CG2-CG2 4.41Å; I316-A357 HydrophobicContact CD1-CB 3.55Å
317	R	94.8	Very high	91.7	Very high	25 Å²	25	41 Å²	41	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.4	177.8	-39.2	-177	-174	167.6	-6.8	111.8	P295 H296 T309 E315 Y319 P327 Q329 I330	P295-R317 PolarHBondContact O-NH1 2.86Å; H296-R317 VanDerWaalsContact CE1-CD 3.43Å; H296-R317 WeakPolarHBondContact CE1-CD 3.29Å; T309-R317 PolarHBondContact N-O 2.77Å; T309-R317 PolarHBondContact O-N 2.71Å; T309-R317 WeakPolarHBondContact OG1-CB 3.3Å; T309-R317 PolarHBondContact OG1-N 2.95Å; T309-R317 PolarHBondContact OG1-O 3.32Å; E315-R317 IonicContact OE1-NH2 3.4Å; E315-R317 IonicContact OE2-CZ 3.72Å; E315-R317 IonicContact OE2-NE 3.93Å; E315-R317 PolarHBondContact OE2-NE 3.41Å; E315-R317 IonicContact OE2-NH2 2.74Å; E315-R317 PolarHBondContact OE2-NH2 2.89Å; R317-Y319 HydrophobicContact CB-CE2 3.96Å; R317-Y319 WeakPolarHBondContact CD-OH 3.44Å; R317-Y319 PolarHBondContact NH1-OH 3.25Å; R317-Y319 VanDerWaalsContact NH1-OH 3.12Å; R317-P327 HydrophobicContact CB-CB 4.1Å; R317-Q329 VanDerWaalsContact CA-O 3.31Å; R317-Q329 WeakPolarHBondContact CA-O 3.37Å; R317-I330 HydrophobicContact CG-CG1 4.18Å; R317-I330 HydrophobicContact CG-CG2 4.36Å
318	V	93.9	Very high	91.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	174	-175.3	0	0	0	0	108.1	K306 L308 P327 D328 Q329 W348 I355 A378	K306-V318 HydrophobicContact CB-CG1 4.26Å; K306-V318 HydrophobicContact CD-CG1 4.3Å; L308-V318 HydrophobicContact CD1-CG2 4.26Å; V318-P327 CarbonylContact O-C 3.33Å; V318-P327 WeakPolarHBondContact O-CA 3.3Å; V318-D328 WeakPolarHBondContact O-CB 3.35Å; V318-D328 PolarHBondContact O-N 2.9Å; V318-Q329 HydrophobicContact CB-CB 4.29Å; V318-Q329 HydrophobicContact CG2-CB 4.38Å; V318-Q329 PolarHBondContact N-O 2.83Å; V318-Q329 PolarHBondContact O-N 3Å; V318-W348 HydrophobicContact CG1-CH2 4.08Å; V318-W348 HydrophobicContact CG1-CZ2 4.26Å; V318-W348 HydrophobicContact CG2-CH2 4.43Å; V318-I355 HydrophobicContact CG2-CD1 3.66Å; V318-A378 HydrophobicContact CG2-CB 4.38Å
319	Y	92.3	Very high	91.9	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.2	170.3	-56.2	-104.4	0	0	0	110.1	M294 H296 L307 T309 R317 K326 P327	M294-Y319 HydrophobicContact CB-CE1 3.99Å; M294-Y319 HydrophobicContact CB-CE2 4.45Å; M294-Y319 HydrophobicContact CE-CD1 4.4Å; M294-Y319 HydrophobicContact CE-CG 4.41Å; M294-Y319 HydrophobicContact CG-CD1 3.94Å; M294-Y319 HydrophobicContact CG-CE1 3.61Å; M294-Y319 HydrophobicContact CG-CE2 4.39Å; M294-Y319 HydrophobicContact CG-CG 4.48Å; H296-Y319 AromaticContact NE2-CE2 3.72Å; H296-Y319 AromaticContact NE2-CZ 3.76Å; H296-Y319 PolarHBondContact NE2-OH 2.86Å; L307-Y319 HydrophobicContact CD2-CD2 4.3Å; L307-Y319 PolarHBondContact N-O 3.33Å; L307-Y319 VanDerWaalsContact N-O 3.09Å; L307-Y319 PolarHBondContact O-N 3.4Å; T309-Y319 HydrophobicContact CG2-CD2 4.1Å; T309-Y319 HydrophobicContact CG2-CE2 3.87Å; R317-Y319 HydrophobicContact CB-CE2 3.96Å; R317-Y319 WeakPolarHBondContact CD-OH 3.44Å; R317-Y319 PolarHBondContact NH1-OH 3.25Å; R317-Y319 VanDerWaalsContact NH1-OH 3.12Å; Y319-K326 WeakPolarHBondContact CD1-O 3.42Å; Y319-P327 HydrophobicContact CD1-CB 4.23Å; Y319-P327 HydrophobicContact CE1-CB 3.93Å; Y319-P327 HydrophobicContact CE1-CG 4.41Å
320	S	88.8	Confident	92.1	Very high	8 Å²	8	50 Å²	50	6%	0.056	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-115.8	143.7	-176	-78.3	0	0	0	0	111.6	Y322 D323 D328	S320-Y322 PolarHBondContact O-N 3.06Å; S320-D323 CarbonylContact O-C 3.31Å; S320-D323 PolarHBondContact O-N 3.41Å; S320-D328 WeakPolarHBondContact CB-OD2 3.35Å; S320-D328 PolarHBondContact OG-OD2 2.93Å
321	S	87.7	Confident	92.2	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.9	-165.4	67.9	0	0	0	0	116.8	W324	S321-W324 VanDerWaalsContact CA-CZ2 3.47Å; S321-W324 VanDerWaalsContact CB-CZ2 3.46Å
322	Y	87.7	Confident	92.3	Very high	161 Å²	161	54.1 Å²	54.1	63%	0.631	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.6	173.4	59.9	-102.3	0	0	0	112.2	S320 D328	S320-Y322 PolarHBondContact O-N 3.06Å; Y322-D328 PolarHBondContact OH-OD1 2.97Å; Y322-D328 PolarHBondContact OH-OD2 3.4Å
323	D	90.7	Very high	92.5	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.23	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-155	101.1	175.4	-174	-4.6	0	0	0	110.4	S320 S325 K326	S320-D323 CarbonylContact O-C 3.31Å; S320-D323 PolarHBondContact O-N 3.41Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 VanDerWaalsContact OD1-CB 3.28Å; D323-S325 WeakPolarHBondContact OD1-CB 3.49Å; D323-S325 PolarHBondContact OD1-N 3.24Å; D323-S325 PolarHBondContact OD1-OG 2.77Å; D323-K326 IonicContact OD2-NZ 3.49Å; D323-K326 PolarHBondContact OD2-NZ 2.88Å
324	W	89.6	Confident	92.8	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.186	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.4	176.9	-66.6	125.3	0	0	0	113.7	L278 A292 M294 L307 S321	L278-W324 HydrophobicContact CD1-CB 4.26Å; L278-W324 HydrophobicContact CD1-CD2 3.45Å; L278-W324 VanDerWaalsContact CD1-CD2 3.45Å; L278-W324 VanDerWaalsContact CD1-CE2 3.5Å; L278-W324 HydrophobicContact CD1-CE3 4.03Å; L278-W324 HydrophobicContact CD1-CG 3.57Å; L278-W324 HydrophobicContact CD1-CZ2 4.09Å; A292-W324 HydrophobicContact CB-CB 3.93Å; M294-W324 HydrophobicContact CE-CB 3.86Å; M294-W324 HydrophobicContact CE-CD2 4.16Å; M294-W324 HydrophobicContact CE-CE3 3.74Å; M294-W324 HydrophobicContact CE-CG 4.26Å; L307-W324 HydrophobicContact CB-CH2 4.24Å; L307-W324 HydrophobicContact CB-CZ3 3.67Å; L307-W324 HydrophobicContact CD2-CZ3 4.45Å; S321-W324 VanDerWaalsContact CA-CZ2 3.47Å; S321-W324 VanDerWaalsContact CB-CZ2 3.46Å
325	S	90.6	Very high	92.9	Very high	96 Å²	96	45.9 Å²	45.9	67%	0.671	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.8	-173.3	73.1	0	0	0	0	114	D323	D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 VanDerWaalsContact OD1-CB 3.28Å; D323-S325 WeakPolarHBondContact OD1-CB 3.49Å; D323-S325 PolarHBondContact OD1-N 3.24Å; D323-S325 PolarHBondContact OD1-OG 2.77Å
326	K	91.4	Very high	92.8	Very high	117 Å²	117	48.6 Å²	48.6	51%	0.509	25%	0.245	S	C	.	.	S	Bend	trans	-135.6	150.1	178.5	63.5	170.8	-175.9	-77.6	0	111.5	Y319 D323	Y319-K326 WeakPolarHBondContact CD1-O 3.42Å; D323-K326 IonicContact OD2-NZ 3.49Å; D323-K326 PolarHBondContact OD2-NZ 2.88Å
327	P	93.1	Very high	92.7	Very high	36 Å²	36	51.8 Å²	51.8	23%	0.234	26%	0.26	C	S	.	.			trans	-67	142.8	169.5	28.9	-33.6	0	0	0	110.6	R317 V318 Y319 I330	R317-P327 HydrophobicContact CB-CB 4.1Å; V318-P327 CarbonylContact O-C 3.33Å; V318-P327 WeakPolarHBondContact O-CA 3.3Å; Y319-P327 HydrophobicContact CD1-CB 4.23Å; Y319-P327 HydrophobicContact CE1-CB 3.93Å; Y319-P327 HydrophobicContact CE1-CG 4.41Å; P327-I330 HydrophobicContact CB-CG1 3.96Å; P327-I330 HydrophobicContact CG-CD1 3.72Å; P327-I330 HydrophobicContact CG-CG1 3.69Å
328	D	91.5	Very high	92.7	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.353	28%	0.277	S	S	.	.	S	Bend	trans	-77	-38.4	171.4	-158.7	-6	0	0	0	109.9	V318 S320 Y322	V318-D328 WeakPolarHBondContact O-CB 3.35Å; V318-D328 PolarHBondContact O-N 2.9Å; S320-D328 WeakPolarHBondContact CB-OD2 3.35Å; S320-D328 PolarHBondContact OG-OD2 2.93Å; Y322-D328 PolarHBondContact OH-OD1 2.97Å; Y322-D328 PolarHBondContact OH-OD2 3.4Å
329	Q	93.6	Very high	92.5	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.9	173.2	-73.3	-69.3	2.8	0	0	111.9	R317 V318 A378 N379	R317-Q329 VanDerWaalsContact CA-O 3.31Å; R317-Q329 WeakPolarHBondContact CA-O 3.37Å; V318-Q329 HydrophobicContact CB-CB 4.29Å; V318-Q329 HydrophobicContact CG2-CB 4.38Å; V318-Q329 PolarHBondContact N-O 2.83Å; V318-Q329 PolarHBondContact O-N 3Å; Q329-A378 WeakPolarHBondContact CG-O 3.46Å; Q329-N379 PolarHBondContact NE2-O 3.17Å
330	I	95.6	Very high	92.5	Very high	81 Å²	81	68.5 Å²	68.5	42%	0.415	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.2	169.1	-55.8	177.6	0	0	0	108	R317 P327 I332	R317-I330 HydrophobicContact CG-CG1 4.18Å; R317-I330 HydrophobicContact CG-CG2 4.36Å; P327-I330 HydrophobicContact CB-CG1 3.96Å; P327-I330 HydrophobicContact CG-CD1 3.72Å; P327-I330 HydrophobicContact CG-CG1 3.69Å; I330-I332 HydrophobicContact CG2-CD1 4.08Å
331	I	95.9	Very high	92.7	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.9	-179.6	-58.3	173.2	0	0	0	108.2	I316 H333 I355 Y376	I316-I331 HydrophobicContact CB-CB 4.25Å; I316-I331 PolarHBondContact N-O 2.91Å; I316-I331 PolarHBondContact O-N 2.88Å; I331-H333 HydrophobicContact CG2-CB 4.46Å; I331-I355 HydrophobicContact CD1-CD1 4.08Å; I331-Y376 HydrophobicContact CD1-CD1 4.21Å; I331-Y376 HydrophobicContact CD1-CG 4.16Å; I331-Y376 HydrophobicContact CG2-CD1 3.64Å; I331-Y376 HydrophobicContact CG2-CD2 4.45Å; I331-Y376 HydrophobicContact CG2-CE1 3.38Å; I331-Y376 HydrophobicContact CG2-CE2 4.23Å; I331-Y376 HydrophobicContact CG2-CG 4.18Å
332	I	95.8	Very high	93.1	Very high	86 Å²	86	65.2 Å²	65.2	44%	0.441	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.6	176	-52.6	-57.5	0	0	0	109.3	N314 E315 I330 L365	N314-I332 WeakPolarHBondContact O-CA 3.29Å; E315-I332 HydrophobicContact CG-CD1 4.2Å; I330-I332 HydrophobicContact CG2-CD1 4.08Å; I332-L365 HydrophobicContact CG2-CD1 3.95Å; I332-L365 HydrophobicContact CG2-CD2 4.11Å
333	H	95.9	Very high	93.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.			trans	-147	123.5	-172.9	165	-97.7	0	0	0	108.6	N314 I316 I331 H335 G358 R359 D374 Y376	N314-H333 CarbonylContact C-O 3.56Å; N314-H333 VanDerWaalsContact C-O 3.31Å; N314-H333 WeakPolarHBondContact CA-O 3.46Å; N314-H333 PolarHBondContact O-N 2.8Å; I316-H333 HydrophobicContact CD1-CB 4.01Å; I331-H333 HydrophobicContact CG2-CB 4.46Å; H333-H335 AromaticContact ND1-CG 3.89Å; H333-H335 AromaticContact ND1-ND1 3.37Å; H333-H335 PolarHBondContact ND1-ND1 3.34Å; H333-H335 PolarHBondContact O-CE1 2.8Å; H333-H335 PolarHBondContact O-N 2.94Å; H333-H335 PolarHBondContact O-ND1 3.05Å; H333-G358 PolarHBondContact CE1-O 2.87Å; H333-R359 WeakPolarHBondContact NE2-CA 3.38Å; H333-D374 IonicContact CD2-OD2 3.01Å; H333-D374 PolarHBondContact CD2-OD2 2.96Å; H333-D374 IonicContact NE2-OD2 2.68Å; H333-Y376 HydrophobicContact CB-CE2 4.45Å; H333-Y376 AromaticContact CD2-CE2 3.98Å; H333-Y376 PolarHBondContact CD2-OH 3.11Å
334	P	96.1	Very high	93.7	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.019	29%	0.285	C	S	.	.			trans	-78.2	120.3	-173.2	31.2	-32.1	0	0	0	111.7	R359 Y360 D362 L365	P334-R359 HydrophobicContact CG-CG 4.02Å; P334-Y360 CarbonylContact C-O 3.5Å; P334-Y360 WeakPolarHBondContact CB-O 3.39Å; P334-Y360 PolarHBondContact O-N 3.47Å; P334-D362 HydrophobicContact CB-CB 4.2Å; P334-L365 HydrophobicContact CB-CD2 3.74Å; P334-L365 HydrophobicContact CG-CD2 3.95Å
335	H	95.4	Very high	93.9	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.014	29%	0.286	C	S	.	.			trans	-149.4	34.9	-175.5	61.2	-87.4	0	0	0	113.3	T310 D311 R313 E315 H333 I344	T310-H335 WeakPolarHBondContact CG2-CD2 2.87Å; T310-H335 WeakPolarHBondContact CG2-NE2 3.28Å; D311-H335 PolarHBondContact N-NE2 3.38Å; D311-H335 PolarHBondContact O-CD2 2.61Å; D311-H335 PolarHBondContact O-NE2 2.98Å; D311-H335 IonicContact OD1-CE1 2.61Å; D311-H335 PolarHBondContact OD1-CE1 2.95Å; D311-H335 IonicContact OD1-NE2 2.7Å; D311-H335 PolarHBondContact OD1-NE2 2.87Å; R313-H335 CarbonylContact O-C 3.57Å; R313-H335 PolarHBondContact O-N 2.7Å; E315-H335 PolarHBondContact N-CE1 2.81Å; E315-H335 PolarHBondContact O-CE1 2.95Å; H333-H335 AromaticContact ND1-CG 3.89Å; H333-H335 AromaticContact ND1-ND1 3.37Å; H333-H335 PolarHBondContact ND1-ND1 3.34Å; H333-H335 PolarHBondContact O-CE1 2.8Å; H333-H335 PolarHBondContact O-N 2.94Å; H333-H335 PolarHBondContact O-ND1 3.05Å; H335-I344 HydrophobicContact CB-CB 4.01Å; H335-I344 HydrophobicContact CB-CD1 3.71Å; H335-I344 HydrophobicContact CB-CG1 4.44Å; H335-I344 HydrophobicContact CB-CG2 3.8Å
336	R	94.1	Very high	94.1	Very high	88 Å²	88	53.2 Å²	53.2	33%	0.332	26%	0.255	S	S	.	.			trans	-54.5	142.4	-169.9	65.1	-173.3	173.7	112.4	-11.9	115.2	Q312 R313 Y360 D362	Q312-R336 WeakPolarHBondContact O-CA 3.41Å; R313-R336 WeakPolarHBondContact O-CA 3.39Å; R313-R336 PolarHBondContact O-N 3.24Å; R313-R336 VanDerWaalsContact O-N 3.08Å; R336-Y360 HydrophobicContact CG-CD1 3.7Å; R336-Y360 HydrophobicContact CG-CE1 3.74Å; R336-Y360 HydrophobicContact CG-CG 4.25Å; R336-Y360 PolarHBondContact NH2-OH 3.41Å; R336-Y360 VanDerWaalsContact O-CD1 3.27Å; R336-Y360 WeakPolarHBondContact O-CD1 3.45Å; R336-D362 WeakPolarHBondContact CD-OD2 3.19Å; R336-D362 IonicContact NE-OD2 3.18Å
337	Q	92.9	Very high	94.3	Very high	67 Å²	67	48.1 Å²	48.1	31%	0.313	23%	0.234	S	C	.	.			trans	-65.1	139.7	176.7	176.3	57.9	20.5	0	0	112.1	Q312	Q312-Q337 HydrophobicContact CB-CB 3.77Å; Q312-Q337 HydrophobicContact CG-CB 3.91Å; Q312-Q337 HydrophobicContact CG-CG 4.42Å; Q312-Q337 PolarHBondContact O-N 3.48Å
338	F	93.5	Very high	94.4	Very high	100 Å²	100	47.8 Å²	47.8	44%	0.439	23%	0.228	S	C	.	.			trans	-144.4	136.7	172.3	-175.5	-109	0	0	0	110.7	H340 L341 Y360	F338-H340 VanDerWaalsContact C-N 3.29Å; F338-H340 HydrophobicContact CD1-CB 4.26Å; F338-H340 HydrophobicContact CE1-CB 3.95Å; F338-H340 PolarHBondContact O-N 3.01Å; F338-H340 VanDerWaalsContact O-N 3.16Å; F338-L341 HydrophobicContact CB-CB 4Å; F338-L341 HydrophobicContact CD1-CB 4.28Å; F338-L341 WeakPolarHBondContact O-CB 3.28Å; F338-L341 PolarHBondContact O-N 3.25Å; F338-Y360 HydrophobicContact CB-CE1 4.14Å
339	Q	90.1	Very high	94.5	Very high	155 Å²	155	44.9 Å²	44.9	72%	0.724	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.6	-169.1	-177.5	178.2	4.7	0	0	114.4	R115	R115-Q339 PolarHBondContact NH1-O 3.5Å
340	H	91.6	Very high	94.4	Very high	126 Å²	126	45.7 Å²	45.7	58%	0.583	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9	-178.6	-64.4	-90.8	0	0	0	113.6	R115 F338	R115-H340 WeakPolarHBondContact CD-O 3.27Å; R115-H340 VanDerWaalsContact NH1-CA 3.33Å; R115-H340 PolarHBondContact NH1-O 3.25Å; F338-H340 VanDerWaalsContact C-N 3.29Å; F338-H340 HydrophobicContact CD1-CB 4.26Å; F338-H340 HydrophobicContact CE1-CB 3.95Å; F338-H340 PolarHBondContact O-N 3.01Å; F338-H340 VanDerWaalsContact O-N 3.16Å
341	L	94.3	Very high	94.1	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.12	23%	0.226	C	C	.	.	S	Bend	trans	-84.5	153.3	171.6	-165	64.4	0	0	0	110.1	R115 F338 I344 Y360 I395 S397	R115-L341 PolarHBondContact NH2-O 3.41Å; F338-L341 HydrophobicContact CB-CB 4Å; F338-L341 HydrophobicContact CD1-CB 4.28Å; F338-L341 WeakPolarHBondContact O-CB 3.28Å; F338-L341 PolarHBondContact O-N 3.25Å; L341-I344 HydrophobicContact CD2-CD1 4.29Å; L341-Y360 HydrophobicContact CD2-CD1 3.7Å; L341-Y360 HydrophobicContact CD2-CE1 3.95Å; L341-I395 HydrophobicContact CD1-CB 4.03Å; L341-I395 HydrophobicContact CD1-CG2 4.07Å; L341-I395 HydrophobicContact CD2-CG2 4.03Å; L341-S397 WeakPolarHBondContact CD1-OG 3.3Å
342	T	95.2	Very high	93.9	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-78.7	133.3	164.2	-69.9	0	0	0	0	107.8	R115 V116 I344 S397 L398	R115-T342 WeakPolarHBondContact CD-OG1 3.38Å; R115-T342 PolarHBondContact NE-OG1 3.26Å; R115-T342 VanDerWaalsContact NE-OG1 3.09Å; V116-T342 WeakPolarHBondContact O-CB 3.43Å; V116-T342 PolarHBondContact O-OG1 3.39Å; T342-I344 PolarHBondContact O-N 2.95Å; T342-S397 WeakPolarHBondContact O-CB 3.41Å; T342-S397 PolarHBondContact O-OG 2.73Å; T342-L398 HydrophobicContact CG2-CD1 4.45Å; T342-L398 HydrophobicContact CG2-CD2 4.07Å; T342-L398 HydrophobicContact CG2-CG 4.18Å
343	P	95.1	Very high	93.7	Very high	40 Å²	40	45.1 Å²	45.1	26%	0.26	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-53.7	133.4	-178.5	-25.8	34.1	0	0	0	111.2	K345	P343-K345 PolarHBondContact O-N 3.24Å
344	I	96.1	Very high	93.7	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-70	132.6	175.7	-69.4	151.7	0	0	0	108.1	N301 T310 H335 L341 T342 G358 I395 S397	N301-I344 PolarHBondContact ND2-O 3.28Å; T310-I344 WeakPolarHBondContact CG2-O 3.38Å; H335-I344 HydrophobicContact CB-CB 4.01Å; H335-I344 HydrophobicContact CB-CD1 3.71Å; H335-I344 HydrophobicContact CB-CG1 4.44Å; H335-I344 HydrophobicContact CB-CG2 3.8Å; L341-I344 HydrophobicContact CD2-CD1 4.29Å; T342-I344 PolarHBondContact O-N 2.95Å; I344-G358 WeakPolarHBondContact CD1-O 3.42Å; I344-I395 HydrophobicContact CD1-CG2 4.35Å; I344-S397 WeakPolarHBondContact CA-O 3.43Å
345	K	93.4	Very high	93.7	Very high	51 Å²	51	45 Å²	45	22%	0.222	22%	0.216	C	C	.	.			trans	-122.2	125.2	171.3	-64.9	-168.2	173.7	-168.1	0	107.5	T255 N301 P343	T255-K345 PolarHBondContact O-NZ 2.92Å; N301-K345 HydrophobicContact CB-CD 4.19Å; N301-K345 HydrophobicContact CB-CG 3.92Å; N301-K345 VanDerWaalsContact OD1-CE 3.31Å; N301-K345 WeakPolarHBondContact OD1-CE 3.11Å; P343-K345 PolarHBondContact O-N 3.24Å
346	A	95.3	Very high	93.8	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	22%	0.215	C	C	.	.			trans	-78.2	144	166.2	0	0	0	0	0	109.2	L308 T310 I316 I355 V356 A357	L308-A346 HydrophobicContact CD2-CB 4.02Å; L308-A346 WeakPolarHBondContact CD2-O 3.49Å; L308-A346 HydrophobicContact CG-CB 4.43Å; T310-A346 HydrophobicContact CG2-CB 4.45Å; T310-A346 VanDerWaalsContact OG1-CB 3.25Å; T310-A346 WeakPolarHBondContact OG1-CB 3.47Å; T310-A346 PolarHBondContact OG1-N 3.08Å; I316-A346 HydrophobicContact CD1-CB 3.9Å; I316-A346 HydrophobicContact CG1-CB 4.28Å; I316-A346 HydrophobicContact CG2-CB 4.28Å; A346-I355 HydrophobicContact CB-CG2 3.87Å; A346-V356 CarbonylContact C-O 3.51Å; A346-V356 WeakPolarHBondContact CA-O 3.21Å; A346-A357 HydrophobicContact CB-CB 3.93Å
347	T	95.4	Very high	94	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.6	-179.3	75.3	0	0	0	0	112.6	D303 I355 V356 N399 K400	D303-T347 WeakPolarHBondContact OD2-CA 3.29Å; D303-T347 WeakPolarHBondContact OD2-CB 3.33Å; T347-I355 WeakPolarHBondContact O-CA 3.36Å; T347-V356 PolarHBondContact N-O 2.92Å; T347-V356 PolarHBondContact O-N 3.26Å; T347-N399 VanDerWaalsContact CG2-O 3.31Å; T347-N399 WeakPolarHBondContact CG2-O 3.36Å; T347-N399 PolarHBondContact OG1-O 2.85Å; T347-N399 VanDerWaalsContact OG1-O 3.05Å; T347-K400 HydrophobicContact CG2-CG 3.95Å
348	W	94.8	Very high	94.2	Very high	28 Å²	28	37.4 Å²	37.4	11%	0.106	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	155	173.9	-68.3	107.5	0	0	0	114.1	D303 S304 K306 L308 V318 I355 A378	D303-W348 PolarHBondContact OD2-N 3.15Å; S304-W348 PolarHBondContact O-NE1 3.29Å; K306-W348 HydrophobicContact CB-CH2 3.79Å; K306-W348 HydrophobicContact CB-CZ2 3.37Å; K306-W348 HydrophobicContact CD-CH2 3.95Å; K306-W348 HydrophobicContact CD-CZ2 4.41Å; K306-W348 PolarHBondContact O-NE1 3.15Å; L308-W348 HydrophobicContact CB-CZ2 3.77Å; L308-W348 VanDerWaalsContact CB-NE1 3.34Å; L308-W348 HydrophobicContact CD2-CD2 4.45Å; L308-W348 HydrophobicContact CD2-CG 4.48Å; V318-W348 HydrophobicContact CG1-CH2 4.08Å; V318-W348 HydrophobicContact CG1-CZ2 4.26Å; V318-W348 HydrophobicContact CG2-CH2 4.43Å; W348-I355 HydrophobicContact CE3-CG1 4.08Å; W348-I355 HydrophobicContact CH2-CD1 4.26Å; W348-I355 HydrophobicContact CH2-CG1 4.11Å; W348-I355 HydrophobicContact CZ3-CD1 4.36Å; W348-I355 HydrophobicContact CZ3-CG1 3.81Å; W348-A378 HydrophobicContact CH2-CB 3.53Å; W348-A378 HydrophobicContact CZ3-CB 3.39Å
349	H	94.8	Very high	94.3	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.4	156.7	177.4	-82.5	0	0	0	109.7	F96 M351 Y352 L354 F401 G405	F96-H349 AromaticContact CE1-CD2 3.79Å; F96-H349 AromaticContact CE1-NE2 3.74Å; F96-H349 AromaticContact CE2-NE2 3.85Å; F96-H349 AromaticContact CZ-CD2 3.57Å; F96-H349 AromaticContact CZ-NE2 3.31Å; F96-H349 VanDerWaalsContact CZ-NE2 3.31Å; F96-H349 WeakPolarHBondContact CZ-NE2 3.46Å; H349-M351 VanDerWaalsContact C-N 3.32Å; H349-M351 PolarHBondContact ND1-N 2.91Å; H349-M351 VanDerWaalsContact ND1-N 3.18Å; H349-M351 PolarHBondContact O-N 2.86Å; H349-Y352 AromaticContact CE1-CD2 3.15Å; H349-Y352 WeakPolarHBondContact CE1-CD2 3.49Å; H349-Y352 AromaticContact CE1-CE2 3.65Å; H349-Y352 AromaticContact CE1-CG 3.96Å; H349-Y352 AromaticContact ND1-CD2 3.36Å; H349-Y352 WeakPolarHBondContact ND1-CD2 3.49Å; H349-Y352 AromaticContact ND1-CG 3.78Å; H349-Y352 PolarHBondContact ND1-N 3.1Å; H349-Y352 AromaticContact NE2-CD2 3.89Å; H349-L354 HydrophobicContact CB-CB 3.96Å; H349-L354 PolarHBondContact N-O 2.82Å; H349-F401 HydrophobicContact CB-CD2 3.81Å; H349-F401 HydrophobicContact CB-CE2 4.07Å; H349-F401 AromaticContact CD2-CD1 3.89Å; H349-F401 AromaticContact CD2-CD2 3.47Å; H349-F401 VanDerWaalsContact CD2-CD2 3.47Å; H349-F401 WeakPolarHBondContact CD2-CD2 3.43Å; H349-F401 AromaticContact CD2-CE2 3.62Å; H349-F401 AromaticContact CD2-CG 3.6Å; H349-F401 AromaticContact CD2-CZ 3.94Å; H349-G405 VanDerWaalsContact NE2-CA 3.28Å; H349-G405 WeakPolarHBondContact NE2-CA 3.44Å; H349-G405 PolarHBondContact NE2-O 2.84Å
350	P	91	Very high	94.7	Very high	71 Å²	71	27.8 Å²	27.8	46%	0.461	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.5	-167.8	25.2	-35.7	0	0	0	115.4	S402	P350-S402 WeakPolarHBondContact CG-O 3.36Å
351	M	90.2	Very high	94.8	Very high	99 Å²	99	22.8 Å²	22.8	49%	0.488	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-12.4	-176	-43	-172.4	81.5	0	0	115.2	R89 H349	R89-M351 VanDerWaalsContact CZ-O 3.23Å; R89-M351 PolarHBondContact NE-O 2.98Å; R89-M351 VanDerWaalsContact NE-O 3.15Å; R89-M351 PolarHBondContact NH2-O 2.85Å; H349-M351 VanDerWaalsContact C-N 3.32Å; H349-M351 PolarHBondContact ND1-N 2.91Å; H349-M351 VanDerWaalsContact ND1-N 3.18Å; H349-M351 PolarHBondContact O-N 2.86Å
352	Y	91.8	Very high	94.7	Very high	34 Å²	34	22.9 Å²	22.9	13%	0.133	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.2	-168.7	-58.6	-54.8	0	0	0	109.8	R89 L92 Q93 F96 H349 L354	R89-Y352 HydrophobicContact CG-CD1 3.99Å; R89-Y352 HydrophobicContact CG-CE1 4.43Å; L92-Y352 HydrophobicContact CB-CE1 4Å; Q93-Y352 HydrophobicContact CB-CD1 3.79Å; Q93-Y352 HydrophobicContact CB-CE1 4.08Å; Q93-Y352 HydrophobicContact CB-CG 4.23Å; Q93-Y352 HydrophobicContact CG-CD1 4.18Å; Q93-Y352 HydrophobicContact CG-CG 4.14Å; F96-Y352 HydrophobicContact CB-CD2 4.37Å; F96-Y352 HydrophobicContact CB-CE2 3.68Å; F96-Y352 AromaticContact CD1-CD2 3.66Å; F96-Y352 HydrophobicContact CD1-CD2 3.66Å; F96-Y352 AromaticContact CD1-CE2 3.72Å; F96-Y352 HydrophobicContact CD1-CE2 3.72Å; F96-Y352 HydrophobicContact CD2-CE2 4Å; F96-Y352 HydrophobicContact CE1-CD2 4.07Å; F96-Y352 HydrophobicContact CE1-CE2 4.35Å; F96-Y352 AromaticContact CG-CD2 3.98Å; F96-Y352 HydrophobicContact CG-CD2 3.98Å; F96-Y352 AromaticContact CG-CE2 3.51Å; F96-Y352 HydrophobicContact CG-CE2 3.51Å; H349-Y352 AromaticContact CE1-CD2 3.15Å; H349-Y352 WeakPolarHBondContact CE1-CD2 3.49Å; H349-Y352 AromaticContact CE1-CE2 3.65Å; H349-Y352 AromaticContact CE1-CG 3.96Å; H349-Y352 AromaticContact ND1-CD2 3.36Å; H349-Y352 WeakPolarHBondContact ND1-CD2 3.49Å; H349-Y352 AromaticContact ND1-CG 3.78Å; H349-Y352 PolarHBondContact ND1-N 3.1Å; H349-Y352 AromaticContact NE2-CD2 3.89Å; Y352-L354 HydrophobicContact CD2-CD1 4.43Å; Y352-L354 PolarHBondContact O-N 2.87Å
353	D	91.6	Very high	94.4	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.144	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	53.2	179.1	-59.7	51.5	0	0	0	111	R89 K306 A378	R89-D353 IonicContact CZ-OD1 3.88Å; R89-D353 IonicContact NH1-OD1 2.66Å; R89-D353 PolarHBondContact NH1-OD1 2.86Å; K306-D353 IonicContact NZ-OD2 3.59Å; K306-D353 PolarHBondContact NZ-OD2 2.68Å; D353-A378 VanDerWaalsContact O-CB 3.29Å; D353-A378 WeakPolarHBondContact O-CB 3.42Å; D353-A378 PolarHBondContact O-N 2.55Å
354	L	94.7	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.2	179.4	-63.7	176.5	0	0	0	110.5	Q93 F96 I97 H349 Y352 Y376 D377 V384	Q93-L354 HydrophobicContact CG-CD1 4.42Å; Q93-L354 HydrophobicContact CG-CG 4.47Å; F96-L354 HydrophobicContact CD1-CD1 3.78Å; F96-L354 HydrophobicContact CE1-CD1 3.71Å; I97-L354 HydrophobicContact CD1-CD2 4.24Å; I97-L354 HydrophobicContact CG1-CD1 4.23Å; H349-L354 HydrophobicContact CB-CB 3.96Å; H349-L354 PolarHBondContact N-O 2.82Å; Y352-L354 HydrophobicContact CD2-CD1 4.43Å; Y352-L354 PolarHBondContact O-N 2.87Å; L354-Y376 CarbonylContact C-O 3.54Å; L354-Y376 VanDerWaalsContact CA-O 3.3Å; L354-Y376 WeakPolarHBondContact CA-O 3.33Å; L354-Y376 WeakPolarHBondContact CD2-O 3.19Å; L354-D377 HydrophobicContact CD2-CB 4.23Å; L354-V384 HydrophobicContact CD2-CG2 4.19Å
355	I	96.4	Very high	93.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.9	178.4	-64.6	158.1	0	0	0	109	L308 I316 V318 I331 A346 T347 W348 I375 Y376 A378	L308-I355 HydrophobicContact CD1-CD1 3.65Å; L308-I355 HydrophobicContact CD1-CG1 3.88Å; L308-I355 HydrophobicContact CD1-CG2 4.09Å; L308-I355 HydrophobicContact CD2-CG1 4.16Å; L308-I355 HydrophobicContact CD2-CG2 3.98Å; I316-I355 HydrophobicContact CG2-CG2 4.41Å; V318-I355 HydrophobicContact CG2-CD1 3.66Å; I331-I355 HydrophobicContact CD1-CD1 4.08Å; A346-I355 HydrophobicContact CB-CG2 3.87Å; T347-I355 WeakPolarHBondContact O-CA 3.36Å; W348-I355 HydrophobicContact CE3-CG1 4.08Å; W348-I355 HydrophobicContact CH2-CD1 4.26Å; W348-I355 HydrophobicContact CH2-CG1 4.11Å; W348-I355 HydrophobicContact CZ3-CD1 4.36Å; W348-I355 HydrophobicContact CZ3-CG1 3.81Å; I355-I375 CarbonylContact O-C 3.55Å; I355-I375 VanDerWaalsContact O-CA 3.31Å; I355-I375 WeakPolarHBondContact O-CA 3.45Å; I355-Y376 PolarHBondContact N-O 2.82Å; I355-Y376 PolarHBondContact O-N 3.01Å; I355-A378 HydrophobicContact CD1-CB 3.56Å; I355-A378 HydrophobicContact CG1-CB 3.98Å
356	V	97.3	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	170.8	-169.7	0	0	0	0	109.8	A346 T347 I373 D374 I375 N399 F401 L408	A346-V356 CarbonylContact C-O 3.51Å; A346-V356 WeakPolarHBondContact CA-O 3.21Å; T347-V356 PolarHBondContact N-O 2.92Å; T347-V356 PolarHBondContact O-N 3.26Å; V356-I373 HydrophobicContact CG1-CG2 3.29Å; V356-D374 WeakPolarHBondContact CA-O 3.33Å; V356-I375 HydrophobicContact CG1-CG1 4.45Å; V356-I375 HydrophobicContact CG2-CG1 4.43Å; V356-N399 HydrophobicContact CB-CB 4.43Å; V356-N399 HydrophobicContact CG1-CB 3.65Å; V356-F401 HydrophobicContact CG2-CD2 3.59Å; V356-F401 HydrophobicContact CG2-CE2 3.21Å; V356-F401 HydrophobicContact CG2-CZ 4.23Å; V356-L408 HydrophobicContact CG1-CD1 4.26Å; V356-L408 HydrophobicContact CG1-CD2 4.46Å; V356-L408 HydrophobicContact CG2-CD1 4.37Å
357	A	97.7	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.5	173.5	0	0	0	0	0	111.8	I316 A346 D374	I316-A357 HydrophobicContact CD1-CB 3.55Å; A346-A357 HydrophobicContact CB-CB 3.93Å; A357-D374 PolarHBondContact N-O 3.45Å; A357-D374 PolarHBondContact O-N 2.9Å
358	G	97.3	Very high	92.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	175.3	0	0	0	0	0	111.7	H333 I344 I396	H333-G358 PolarHBondContact CE1-O 2.87Å; I344-G358 WeakPolarHBondContact CD1-O 3.42Å; G358-I396 WeakPolarHBondContact CA-O 3.23Å
359	R	97	Very high	92.5	Very high	20 Å²	20	50.2 Å²	50.2	8%	0.075	26%	0.259	C	S	.	.			trans	-81.1	127.5	-175.8	-173.6	173.8	-82.6	-103.1	-1.3	112.1	H333 P334 P361 D369 K370 T372 D374 Y376	H333-R359 WeakPolarHBondContact NE2-CA 3.38Å; P334-R359 HydrophobicContact CG-CG 4.02Å; R359-P361 WeakPolarHBondContact O-CD 3.27Å; R359-D369 WeakPolarHBondContact CD-OD1 3.43Å; R359-D369 WeakPolarHBondContact CD-OD2 3.4Å; R359-D369 IonicContact CZ-OD2 3.6Å; R359-D369 IonicContact NE-OD2 3.16Å; R359-D369 IonicContact NH1-OD1 2.72Å; R359-D369 PolarHBondContact NH1-OD1 2.81Å; R359-D369 IonicContact NH1-OD2 3.63Å; R359-D369 PolarHBondContact NH1-OD2 2.88Å; R359-K370 WeakPolarHBondContact CD-O 3.36Å; R359-K370 WeakPolarHBondContact CG-O 3.37Å; R359-T372 WeakPolarHBondContact CB-O 3.25Å; R359-T372 WeakPolarHBondContact CB-OG1 3.31Å; R359-T372 WeakPolarHBondContact CD-OG1 3.35Å; R359-T372 PolarHBondContact N-O 3.09Å; R359-D374 IonicContact CZ-OD2 2.81Å; R359-D374 IonicContact NE-OD1 2.69Å; R359-D374 IonicContact NE-OD2 3.28Å; R359-D374 PolarHBondContact NE-OD2 2.97Å; R359-D374 IonicContact NH2-OD2 1.99Å; R359-D374 PolarHBondContact NH2-OD2 3.03Å; R359-Y376 PolarHBondContact NH2-OH 2.86Å
360	Y	96.6	Very high	92.4	Very high	32 Å²	32	54.7 Å²	54.7	13%	0.125	28%	0.278	C	S	.	.			trans	-111.9	97.9	166.5	-176.2	178	0	0	0	108.6	P334 R336 F338 L341 D362 I395	P334-Y360 CarbonylContact C-O 3.5Å; P334-Y360 WeakPolarHBondContact CB-O 3.39Å; P334-Y360 PolarHBondContact O-N 3.47Å; R336-Y360 HydrophobicContact CG-CD1 3.7Å; R336-Y360 HydrophobicContact CG-CE1 3.74Å; R336-Y360 HydrophobicContact CG-CG 4.25Å; R336-Y360 PolarHBondContact NH2-OH 3.41Å; R336-Y360 VanDerWaalsContact O-CD1 3.27Å; R336-Y360 WeakPolarHBondContact O-CD1 3.45Å; F338-Y360 HydrophobicContact CB-CE1 4.14Å; L341-Y360 HydrophobicContact CD2-CD1 3.7Å; L341-Y360 HydrophobicContact CD2-CE1 3.95Å; Y360-D362 PolarHBondContact O-N 2.82Å; Y360-I395 HydrophobicContact CD1-CD1 4.14Å; Y360-I395 HydrophobicContact CD2-CD1 3.55Å; Y360-I395 HydrophobicContact CD2-CG1 4.4Å; Y360-I395 HydrophobicContact CE1-CD1 4.2Å; Y360-I395 HydrophobicContact CE2-CD1 3.62Å; Y360-I395 HydrophobicContact CG-CD1 3.83Å; Y360-I395 HydrophobicContact CG-CG2 4.36Å
361	P	94.6	Very high	92.7	Very high	22 Å²	22	57.1 Å²	57.1	14%	0.143	28%	0.278	C	S	.	.			trans	-43.3	134.7	175.3	-36	40.1	0	0	0	114.8	R359 D369 K370 R371	R359-P361 WeakPolarHBondContact O-CD 3.27Å; P361-D369 HydrophobicContact CB-CB 4.01Å; P361-D369 HydrophobicContact CG-CB 4.25Å; P361-K370 VanDerWaalsContact CG-C 3.42Å; P361-K370 WeakPolarHBondContact CG-O 3.27Å; P361-R371 HydrophobicContact CG-CG 4.15Å
362	D	91.4	Very high	93	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.128	26%	0.257	C	S	.	.			trans	-134.9	111.9	174	-168.3	-18.9	0	0	0	108.5	P334 R336 Y360 Q364 L365 L366	P334-D362 HydrophobicContact CB-CB 4.2Å; R336-D362 WeakPolarHBondContact CD-OD2 3.19Å; R336-D362 IonicContact NE-OD2 3.18Å; Y360-D362 PolarHBondContact O-N 2.82Å; D362-Q364 PolarHBondContact O-N 2.63Å; D362-Q364 VanDerWaalsContact O-N 3.13Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.23Å; D362-Q364 WeakPolarHBondContact OD1-CG 3.42Å; D362-Q364 PolarHBondContact OD1-N 2.82Å; D362-L365 PolarHBondContact O-N 3.13Å; D362-L366 PolarHBondContact O-N 3.22Å
363	D	89.2	Confident	93.3	Very high	105 Å²	105	51.2 Å²	51.2	56%	0.561	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.7	-179	-61.9	-69.2	0	0	0	112.8	L365 L367	D363-L365 VanDerWaalsContact C-N 3.3Å; D363-L367 HydrophobicContact CB-CD2 4.14Å
364	Q	87.6	Confident	93.6	Very high	163 Å²	163	49.9 Å²	49.9	76%	0.762	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.1	169.9	-59.3	-173.7	4.5	0	0	113	D362	D362-Q364 PolarHBondContact O-N 2.63Å; D362-Q364 VanDerWaalsContact O-N 3.13Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.23Å; D362-Q364 WeakPolarHBondContact OD1-CG 3.42Å; D362-Q364 PolarHBondContact OD1-N 2.82Å
365	L	85.5	Confident	93.7	Very high	79 Å²	79	49.9 Å²	49.9	41%	0.414	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-45.1	-180	-174	72.9	0	0	0	111.8	I332 P334 D362 D363	I332-L365 HydrophobicContact CG2-CD1 3.95Å; I332-L365 HydrophobicContact CG2-CD2 4.11Å; P334-L365 HydrophobicContact CB-CD2 3.74Å; P334-L365 HydrophobicContact CG-CD2 3.95Å; D362-L365 PolarHBondContact O-N 3.13Å; D363-L365 VanDerWaalsContact C-N 3.3Å
366	L	87.9	Confident	93.8	Very high	89 Å²	89	50.4 Å²	50.4	47%	0.466	25%	0.246	S	C	.	.			trans	-151.3	109.1	-178.5	-175.5	59.4	0	0	0	111.1	D362 D369	D362-L366 PolarHBondContact O-N 3.22Å; L366-D369 HydrophobicContact CB-CB 4.12Å; L366-D369 HydrophobicContact CD2-CB 4.1Å; L366-D369 HydrophobicContact CG-CB 4.03Å; L366-D369 WeakPolarHBondContact O-CB 3.29Å; L366-D369 PolarHBondContact O-N 2.88Å
367	L	88.6	Confident	93.7	Very high	125 Å²	125	51.8 Å²	51.8	65%	0.654	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	140.8	174.1	-73.6	162.5	0	0	0	111.5	D363 D369	D363-L367 HydrophobicContact CB-CD2 4.14Å; L367-D369 PolarHBondContact O-N 3.03Å
368	N	88.4	Confident	93.4	Very high	132 Å²	132	52 Å²	52	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.5	179.1	-62.2	-61.5	0	0	0	114.9	K370	N368-K370 PolarHBondContact O-NZ 2.68Å
369	D	92.7	Very high	93	Very high	26 Å²	26	56.3 Å²	56.3	14%	0.139	28%	0.278	C	S	.	.			trans	-62.7	168.2	176.6	-166.3	14.8	0	0	0	112.7	R359 P361 L366 L367	R359-D369 WeakPolarHBondContact CD-OD1 3.43Å; R359-D369 WeakPolarHBondContact CD-OD2 3.4Å; R359-D369 IonicContact CZ-OD2 3.6Å; R359-D369 IonicContact NE-OD2 3.16Å; R359-D369 IonicContact NH1-OD1 2.72Å; R359-D369 PolarHBondContact NH1-OD1 2.81Å; R359-D369 IonicContact NH1-OD2 3.63Å; R359-D369 PolarHBondContact NH1-OD2 2.88Å; P361-D369 HydrophobicContact CB-CB 4.01Å; P361-D369 HydrophobicContact CG-CB 4.25Å; L366-D369 HydrophobicContact CB-CB 4.12Å; L366-D369 HydrophobicContact CD2-CB 4.1Å; L366-D369 HydrophobicContact CG-CB 4.03Å; L366-D369 WeakPolarHBondContact O-CB 3.29Å; L366-D369 PolarHBondContact O-N 2.88Å; L367-D369 PolarHBondContact O-N 3.03Å
370	K	93.3	Very high	92.7	Very high	100 Å²	100	58.7 Å²	58.7	44%	0.435	30%	0.298	S	S	.	.			trans	-126.1	149.5	-170.7	-58.9	-65.9	170.2	-108.4	0	111.9	R359 P361 N368 T372	R359-K370 WeakPolarHBondContact CD-O 3.36Å; R359-K370 WeakPolarHBondContact CG-O 3.37Å; P361-K370 VanDerWaalsContact CG-C 3.42Å; P361-K370 WeakPolarHBondContact CG-O 3.27Å; N368-K370 PolarHBondContact O-NZ 2.68Å; K370-T372 HydrophobicContact CB-CG2 4.25Å; K370-T372 PolarHBondContact O-N 3.23Å
371	R	96	Very high	92.5	Very high	123 Å²	123	58.1 Å²	58.1	46%	0.464	30%	0.301	S	S	.	.			trans	-76.7	107.8	171.1	-60.6	173.1	-171.1	162.6	0.4	107.4	P361 R388 A393 G394 I395	P361-R371 HydrophobicContact CG-CG 4.15Å; R371-R388 VanDerWaalsContact O-CD 3.27Å; R371-R388 WeakPolarHBondContact O-CD 3.32Å; R371-R388 WeakPolarHBondContact O-CG 3.5Å; R371-A393 WeakPolarHBondContact CD-O 3.49Å; R371-A393 PolarHBondContact NH1-O 2.89Å; R371-G394 WeakPolarHBondContact CB-O 3.44Å; R371-G394 VanDerWaalsContact CD-O 3.32Å; R371-G394 WeakPolarHBondContact CD-O 3.21Å; R371-I395 HydrophobicContact CG-CG1 4.17Å
372	T	97	Very high	92.5	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.049	31%	0.309	C	S	.	.			trans	-133.2	162.3	-177.3	46.5	0	0	0	0	109.3	R359 K370 D374 Q386 L387 R388	R359-T372 WeakPolarHBondContact CB-O 3.25Å; R359-T372 WeakPolarHBondContact CB-OG1 3.31Å; R359-T372 WeakPolarHBondContact CD-OG1 3.35Å; R359-T372 PolarHBondContact N-O 3.09Å; K370-T372 HydrophobicContact CB-CG2 4.25Å; K370-T372 PolarHBondContact O-N 3.23Å; T372-D374 WeakPolarHBondContact CB-OD1 3.48Å; T372-D374 PolarHBondContact OG1-OD1 2.71Å; T372-Q386 HydrophobicContact CG2-CB 4.21Å; T372-Q386 PolarHBondContact OG1-NE2 2.88Å; T372-L387 WeakPolarHBondContact CA-O 3.43Å; T372-R388 HydrophobicContact CG2-CB 4.26Å; T372-R388 HydrophobicContact CG2-CG 4.45Å
373	I	98.1	Very high	92.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.6	157.4	-49.4	168.1	0	0	0	106.3	V356 Q386 L387 I396 N399 L408 S410 W419	V356-I373 HydrophobicContact CG1-CG2 3.29Å; I373-Q386 CarbonylContact O-C 3.56Å; I373-Q386 VanDerWaalsContact O-CA 3.31Å; I373-Q386 WeakPolarHBondContact O-CA 3.45Å; I373-L387 HydrophobicContact CB-CB 4.22Å; I373-L387 HydrophobicContact CD1-CB 4.5Å; I373-L387 PolarHBondContact N-O 2.86Å; I373-L387 PolarHBondContact O-N 2.82Å; I373-I396 HydrophobicContact CD1-CD1 4.04Å; I373-I396 HydrophobicContact CD1-CG2 4.19Å; I373-I396 HydrophobicContact CG1-CB 4.32Å; I373-I396 HydrophobicContact CG1-CD1 3.68Å; I373-I396 HydrophobicContact CG1-CG2 4.08Å; I373-N399 VanDerWaalsContact CD1-OD1 3.3Å; I373-N399 WeakPolarHBondContact CD1-OD1 3.49Å; I373-N399 HydrophobicContact CG2-CB 4.38Å; I373-L408 HydrophobicContact CD1-CD2 3.92Å; I373-L408 HydrophobicContact CG2-CD2 4.19Å; I373-S410 WeakPolarHBondContact CD1-OG 3.45Å; I373-W419 HydrophobicContact CD1-CD2 4.31Å; I373-W419 VanDerWaalsContact CD1-CE2 3.45Å; I373-W419 HydrophobicContact CD1-CH2 4.42Å; I373-W419 HydrophobicContact CD1-CZ2 3.54Å; I373-W419 HydrophobicContact CG1-CZ2 4.5Å
374	D	98.1	Very high	93.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.2	-179.7	-75.5	14.3	0	0	0	110.3	H333 V356 A357 R359 T372 Y376 L383 Q386	H333-D374 IonicContact CD2-OD2 3.01Å; H333-D374 PolarHBondContact CD2-OD2 2.96Å; H333-D374 IonicContact NE2-OD2 2.68Å; V356-D374 WeakPolarHBondContact CA-O 3.33Å; A357-D374 PolarHBondContact N-O 3.45Å; A357-D374 PolarHBondContact O-N 2.9Å; R359-D374 IonicContact CZ-OD2 2.81Å; R359-D374 IonicContact NE-OD1 2.69Å; R359-D374 IonicContact NE-OD2 3.28Å; R359-D374 PolarHBondContact NE-OD2 2.97Å; R359-D374 IonicContact NH2-OD2 1.99Å; R359-D374 PolarHBondContact NH2-OD2 3.03Å; T372-D374 WeakPolarHBondContact CB-OD1 3.48Å; T372-D374 PolarHBondContact OG1-OD1 2.71Å; D374-Y376 HydrophobicContact CB-CD2 4.22Å; D374-Y376 HydrophobicContact CB-CE2 3.55Å; D374-Y376 PolarHBondContact OD2-OH 2.93Å; D374-L383 HydrophobicContact CB-CD1 3.78Å; D374-Q386 WeakPolarHBondContact OD1-CG 3.32Å; D374-Q386 PolarHBondContact OD1-NE2 2.92Å; D374-Q386 PolarHBondContact OD2-NE2 2.67Å
375	I	98.1	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.7	178	-53.7	177.9	0	0	0	108.2	L100 I355 V356 V384 H385 L387 F401	L100-I375 HydrophobicContact CD1-CD1 3.84Å; L100-I375 HydrophobicContact CD1-CG2 4.19Å; L100-I375 HydrophobicContact CD2-CD1 4.13Å; I355-I375 CarbonylContact O-C 3.55Å; I355-I375 VanDerWaalsContact O-CA 3.31Å; I355-I375 WeakPolarHBondContact O-CA 3.45Å; V356-I375 HydrophobicContact CG1-CG1 4.45Å; V356-I375 HydrophobicContact CG2-CG1 4.43Å; I375-V384 HydrophobicContact CB-CG2 4.23Å; I375-V384 HydrophobicContact CG2-CG2 3.82Å; I375-V384 VanDerWaalsContact O-CG2 3.22Å; I375-V384 WeakPolarHBondContact O-CG2 3.31Å; I375-V384 PolarHBondContact O-N 2.74Å; I375-H385 HydrophobicContact CB-CB 4.44Å; I375-H385 PolarHBondContact N-O 2.69Å; I375-H385 PolarHBondContact O-N 2.78Å; I375-L387 HydrophobicContact CD1-CD1 4.32Å; I375-L387 HydrophobicContact CD1-CG 4.48Å; I375-F401 HydrophobicContact CD1-CZ 4.42Å
376	Y	97.2	Very high	94.1	Very high	11 Å²	11	52.1 Å²	52.1	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.5	-176.3	-67.1	-94.1	0	0	0	111.6	I331 H333 L354 I355 R359 D374 G382 L383	I331-Y376 HydrophobicContact CD1-CD1 4.21Å; I331-Y376 HydrophobicContact CD1-CG 4.16Å; I331-Y376 HydrophobicContact CG2-CD1 3.64Å; I331-Y376 HydrophobicContact CG2-CD2 4.45Å; I331-Y376 HydrophobicContact CG2-CE1 3.38Å; I331-Y376 HydrophobicContact CG2-CE2 4.23Å; I331-Y376 HydrophobicContact CG2-CG 4.18Å; H333-Y376 HydrophobicContact CB-CE2 4.45Å; H333-Y376 AromaticContact CD2-CE2 3.98Å; H333-Y376 PolarHBondContact CD2-OH 3.11Å; L354-Y376 CarbonylContact C-O 3.54Å; L354-Y376 VanDerWaalsContact CA-O 3.3Å; L354-Y376 WeakPolarHBondContact CA-O 3.33Å; L354-Y376 WeakPolarHBondContact CD2-O 3.19Å; I355-Y376 PolarHBondContact N-O 2.82Å; I355-Y376 PolarHBondContact O-N 3.01Å; R359-Y376 PolarHBondContact NH2-OH 2.86Å; D374-Y376 HydrophobicContact CB-CD2 4.22Å; D374-Y376 HydrophobicContact CB-CE2 3.55Å; D374-Y376 PolarHBondContact OD2-OH 2.93Å; Y376-G382 CarbonylContact C-O 3.57Å; Y376-G382 WeakPolarHBondContact CA-O 3.42Å; Y376-L383 HydrophobicContact CD1-CB 4.04Å; Y376-L383 HydrophobicContact CD1-CD1 4.24Å; Y376-L383 HydrophobicContact CD2-CD1 4.33Å; Y376-L383 HydrophobicContact CE1-CB 3.81Å; Y376-L383 HydrophobicContact CE1-CD1 3.89Å; Y376-L383 HydrophobicContact CE1-CG 4.45Å; Y376-L383 HydrophobicContact CE2-CD1 4Å; Y376-L383 HydrophobicContact CG-CD1 4.45Å
377	D	94.7	Very high	94.5	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.7	163.3	165.6	36	0	0	0	109.8	L354 N379 S380 G381 G382 V384	L354-D377 HydrophobicContact CD2-CB 4.23Å; D377-N379 PolarHBondContact O-N 3.08Å; D377-N379 PolarHBondContact OD1-N 3.13Å; D377-S380 PolarHBondContact O-N 2.82Å; D377-S380 VanDerWaalsContact OD2-CB 3.24Å; D377-S380 WeakPolarHBondContact OD2-CB 3.41Å; D377-S380 PolarHBondContact OD2-N 2.88Å; D377-S380 PolarHBondContact OD2-OG 2.73Å; D377-G381 WeakPolarHBondContact O-CA 3.36Å; D377-G381 PolarHBondContact O-N 3.47Å; D377-G382 PolarHBondContact N-O 2.85Å; D377-V384 HydrophobicContact CB-CG1 3.83Å
378	A	91.1	Very high	94.8	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.025	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.6	-173.4	0	0	0	0	0	114	V318 Q329 W348 D353 I355	V318-A378 HydrophobicContact CG2-CB 4.38Å; Q329-A378 WeakPolarHBondContact CG-O 3.46Å; W348-A378 HydrophobicContact CH2-CB 3.53Å; W348-A378 HydrophobicContact CZ3-CB 3.39Å; D353-A378 VanDerWaalsContact O-CB 3.29Å; D353-A378 WeakPolarHBondContact O-CB 3.42Å; D353-A378 PolarHBondContact O-N 2.55Å; I355-A378 HydrophobicContact CD1-CB 3.56Å; I355-A378 HydrophobicContact CG1-CB 3.98Å
379	N	89.4	Confident	95.1	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-34.7	179.6	-67.7	-9.3	0	0	0	111.9	K306 Q329 D377	K306-N379 PolarHBondContact NZ-OD1 3.05Å; Q329-N379 PolarHBondContact NE2-O 3.17Å; D377-N379 PolarHBondContact O-N 3.08Å; D377-N379 PolarHBondContact OD1-N 3.13Å
380	S	91.3	Very high	95.1	Very high	71 Å²	71	48.7 Å²	48.7	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-15.1	178.2	63.8	0	0	0	0	114.7	D377 G382	D377-S380 PolarHBondContact O-N 2.82Å; D377-S380 VanDerWaalsContact OD2-CB 3.24Å; D377-S380 WeakPolarHBondContact OD2-CB 3.41Å; D377-S380 PolarHBondContact OD2-N 2.88Å; D377-S380 PolarHBondContact OD2-OG 2.73Å; S380-G382 PolarHBondContact O-N 3Å; S380-G382 PolarHBondContact OG-N 2.84Å
381	G	92.9	Very high	95.1	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	27%	0.268	C	S	.	.			trans	70.4	2.7	-168.5	0	0	0	0	0	113.9	D377	D377-G381 WeakPolarHBondContact O-CA 3.36Å; D377-G381 PolarHBondContact O-N 3.47Å
382	G	95.1	Very high	95	Very high	29 Å²	29	44.5 Å²	44.5	30%	0.299	25%	0.247	S	C	.	.			trans	-78.6	135.5	-174.1	0	0	0	0	0	113.4	Y376 D377 S380 V384	Y376-G382 CarbonylContact C-O 3.57Å; Y376-G382 WeakPolarHBondContact CA-O 3.42Å; D377-G382 PolarHBondContact N-O 2.85Å; S380-G382 PolarHBondContact O-N 3Å; S380-G382 PolarHBondContact OG-N 2.84Å; G382-V384 PolarHBondContact O-N 2.96Å
383	L	96.7	Very high	94.8	Very high	79 Å²	79	47.4 Å²	47.4	41%	0.414	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.8	168.6	-177.5	70.2	0	0	0	109.5	D374 Y376 Q386	D374-L383 HydrophobicContact CB-CD1 3.78Å; Y376-L383 HydrophobicContact CD1-CB 4.04Å; Y376-L383 HydrophobicContact CD1-CD1 4.24Å; Y376-L383 HydrophobicContact CD2-CD1 4.33Å; Y376-L383 HydrophobicContact CE1-CB 3.81Å; Y376-L383 HydrophobicContact CE1-CD1 3.89Å; Y376-L383 HydrophobicContact CE1-CG 4.45Å; Y376-L383 HydrophobicContact CE2-CD1 4Å; Y376-L383 HydrophobicContact CG-CD1 4.45Å; L383-Q386 HydrophobicContact CD1-CG 4.01Å; L383-Q386 HydrophobicContact CD2-CG 3.9Å; L383-Q386 HydrophobicContact CG-CG 4.27Å
384	V	96	Very high	94.6	Very high	41 Å²	41	48.5 Å²	48.5	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-30.3	-178.7	-62.7	0	0	0	0	113.1	I97 L354 I375 D377 G382	I97-V384 HydrophobicContact CD1-CB 4.34Å; I97-V384 HydrophobicContact CD1-CG1 4.24Å; I97-V384 HydrophobicContact CD1-CG2 4.38Å; I97-V384 HydrophobicContact CG1-CG2 4.31Å; I97-V384 HydrophobicContact CG2-CB 4.06Å; I97-V384 HydrophobicContact CG2-CG2 4.45Å; L354-V384 HydrophobicContact CD2-CG2 4.19Å; I375-V384 HydrophobicContact CB-CG2 4.23Å; I375-V384 HydrophobicContact CG2-CG2 3.82Å; I375-V384 VanDerWaalsContact O-CG2 3.22Å; I375-V384 WeakPolarHBondContact O-CG2 3.31Å; I375-V384 PolarHBondContact O-N 2.74Å; D377-V384 HydrophobicContact CB-CG1 3.83Å; G382-V384 PolarHBondContact O-N 2.96Å
385	H	96.7	Very high	94.5	Very high	40 Å²	40	49.8 Å²	49.8	19%	0.185	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164	175.2	-162.4	41.6	0	0	0	113.1	L100 I375	L100-H385 PolarHBondContact O-NE2 2.86Å; I375-H385 HydrophobicContact CB-CB 4.44Å; I375-H385 PolarHBondContact N-O 2.69Å; I375-H385 PolarHBondContact O-N 2.78Å
386	Q	96.8	Very high	94.5	Very high	79 Å²	79	50 Å²	50	37%	0.369	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.4	171.8	-63	-172.3	-69.1	0	0	109.2	T372 I373 D374 L383	T372-Q386 HydrophobicContact CG2-CB 4.21Å; T372-Q386 PolarHBondContact OG1-NE2 2.88Å; I373-Q386 CarbonylContact O-C 3.56Å; I373-Q386 VanDerWaalsContact O-CA 3.31Å; I373-Q386 WeakPolarHBondContact O-CA 3.45Å; D374-Q386 WeakPolarHBondContact OD1-CG 3.32Å; D374-Q386 PolarHBondContact OD1-NE2 2.92Å; D374-Q386 PolarHBondContact OD2-NE2 2.67Å; L383-Q386 HydrophobicContact CD1-CG 4.01Å; L383-Q386 HydrophobicContact CD2-CG 3.9Å; L383-Q386 HydrophobicContact CG-CG 4.27Å
387	L	96	Very high	94.5	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.3	172.6	-58.8	172.9	0	0	0	110	T372 I373 I375 L408 W419	T372-L387 WeakPolarHBondContact CA-O 3.43Å; I373-L387 HydrophobicContact CB-CB 4.22Å; I373-L387 HydrophobicContact CD1-CB 4.5Å; I373-L387 PolarHBondContact N-O 2.86Å; I373-L387 PolarHBondContact O-N 2.82Å; I375-L387 HydrophobicContact CD1-CD1 4.32Å; I375-L387 HydrophobicContact CD1-CG 4.48Å; L387-L408 HydrophobicContact CD1-CD2 3.83Å; L387-W419 HydrophobicContact CB-CE3 4.41Å; L387-W419 HydrophobicContact CB-CZ3 4.29Å; L387-W419 HydrophobicContact CD1-CD2 4.49Å
388	R	95.4	Very high	94.6	Very high	156 Å²	156	49.1 Å²	49.1	59%	0.589	29%	0.286	S	S	*	.			trans	-153.8	139	169.7	-155.5	-180	91.8	-152.7	5.5	109.9	R371 T372	R371-R388 VanDerWaalsContact O-CD 3.27Å; R371-R388 WeakPolarHBondContact O-CD 3.32Å; R371-R388 WeakPolarHBondContact O-CG 3.5Å; T372-R388 HydrophobicContact CG2-CB 4.26Å; T372-R388 HydrophobicContact CG2-CG 4.45Å
389	D	94.6	Very high	94.9	Very high	28 Å²	28	49.1 Å²	49.1	15%	0.15	29%	0.286	C	S	.	.			trans	-125.5	139.1	171.9	-169.2	-77.5	0	0	0	109.4	L105 N391 A392 W419	L105-D389 HydrophobicContact CB-CB 4.11Å; L105-D389 HydrophobicContact CD2-CB 4.22Å; D389-N391 PolarHBondContact O-N 3.02Å; D389-N391 VanDerWaalsContact OD1-CB 3.25Å; D389-N391 WeakPolarHBondContact OD1-CB 3.49Å; D389-N391 PolarHBondContact OD1-N 3.14Å; D389-N391 PolarHBondContact OD1-ND2 3.48Å; D389-A392 HydrophobicContact CB-CB 4.2Å; D389-A392 PolarHBondContact O-N 3.04Å; D389-W419 HydrophobicContact CB-CH2 3.82Å; D389-W419 HydrophobicContact CB-CZ3 3.78Å
390	P	92.6	Very high	95.2	Very high	110 Å²	110	47.4 Å²	47.4	71%	0.714	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.4	177.2	-25.6	35.7	0	0	0	114.1	A392	P390-A392 VanDerWaalsContact C-N 3.27Å; P390-A392 PolarHBondContact O-N 3.16Å
391	N	93.4	Very high	95.5	Very high	133 Å²	133	44.6 Å²	44.6	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16	178.9	-52.6	-74.8	0	0	0	112.2	L105 D389	L105-N391 HydrophobicContact CD2-CB 4.18Å; D389-N391 PolarHBondContact O-N 3.02Å; D389-N391 VanDerWaalsContact OD1-CB 3.25Å; D389-N391 WeakPolarHBondContact OD1-CB 3.49Å; D389-N391 PolarHBondContact OD1-N 3.14Å; D389-N391 PolarHBondContact OD1-ND2 3.48Å
392	A	93.7	Very high	95.6	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	24%	0.244	C	C	.	.			trans	-107.1	52.3	-179.7	0	0	0	0	0	112.1	L105 D389 P390 G394 M412 L417 W419	L105-A392 HydrophobicContact CD2-CB 4.42Å; D389-A392 HydrophobicContact CB-CB 4.2Å; D389-A392 PolarHBondContact O-N 3.04Å; P390-A392 VanDerWaalsContact C-N 3.27Å; P390-A392 PolarHBondContact O-N 3.16Å; A392-G394 PolarHBondContact O-N 2.95Å; A392-G394 VanDerWaalsContact O-N 3.16Å; A392-M412 HydrophobicContact CB-CE 4.49Å; A392-M412 HydrophobicContact CB-SD 4.03Å; A392-L417 HydrophobicContact CB-CD1 3.87Å; A392-W419 HydrophobicContact CB-CH2 4.21Å; A392-W419 HydrophobicContact CB-CZ2 4.36Å
393	A	92.1	Very high	95.5	Very high	69 Å²	69	45.5 Å²	45.5	57%	0.57	25%	0.25	S	C	*	.			trans	-73.7	1.4	-175	0	0	0	0	0	115.8	R371	R371-A393 WeakPolarHBondContact CD-O 3.49Å; R371-A393 PolarHBondContact NH1-O 2.89Å
394	G	94.5	Very high	95.3	Very high	22 Å²	22	45.1 Å²	45.1	23%	0.227	25%	0.251	C	S	.	.	S	Bend	trans	-78.3	-179.4	179.6	0	0	0	0	0	113.9	R371 A392 M412	R371-G394 WeakPolarHBondContact CB-O 3.44Å; R371-G394 VanDerWaalsContact CD-O 3.32Å; R371-G394 WeakPolarHBondContact CD-O 3.21Å; A392-G394 PolarHBondContact O-N 2.95Å; A392-G394 VanDerWaalsContact O-N 3.16Å; G394-M412 VanDerWaalsContact CA-SD 3.55Å; G394-M412 PolarHBondContact N-SD 3.2Å; G394-M412 VanDerWaalsContact N-SD 3.39Å
395	I	96.8	Very high	95.2	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.138	24%	0.24	C	C	.	.			trans	-90.5	129.3	166.5	-59.2	165.7	0	0	0	107.1	L341 I344 Y360 R371 S397 M412	L341-I395 HydrophobicContact CD1-CB 4.03Å; L341-I395 HydrophobicContact CD1-CG2 4.07Å; L341-I395 HydrophobicContact CD2-CG2 4.03Å; I344-I395 HydrophobicContact CD1-CG2 4.35Å; Y360-I395 HydrophobicContact CD1-CD1 4.14Å; Y360-I395 HydrophobicContact CD2-CD1 3.55Å; Y360-I395 HydrophobicContact CD2-CG1 4.4Å; Y360-I395 HydrophobicContact CE1-CD1 4.2Å; Y360-I395 HydrophobicContact CE2-CD1 3.62Å; Y360-I395 HydrophobicContact CG-CD1 3.83Å; Y360-I395 HydrophobicContact CG-CG2 4.36Å; R371-I395 HydrophobicContact CG-CG1 4.17Å; I395-S397 PolarHBondContact O-N 3.17Å; I395-M412 WeakPolarHBondContact O-CG 3.48Å
396	I	97.6	Very high	95	Very high	5 Å²	5	45 Å²	45	3%	0.026	25%	0.251	C	S	.	.			trans	-102.7	83.4	-167.6	-54.7	173.5	0	0	0	109	G358 I373 N399 S410 G411 M412 L417 W419	G358-I396 WeakPolarHBondContact CA-O 3.23Å; I373-I396 HydrophobicContact CD1-CD1 4.04Å; I373-I396 HydrophobicContact CD1-CG2 4.19Å; I373-I396 HydrophobicContact CG1-CB 4.32Å; I373-I396 HydrophobicContact CG1-CD1 3.68Å; I373-I396 HydrophobicContact CG1-CG2 4.08Å; I396-N399 WeakPolarHBondContact CG2-OD1 3.3Å; I396-N399 PolarHBondContact O-ND2 2.93Å; I396-S410 VanDerWaalsContact CG2-CB 3.42Å; I396-G411 CarbonylContact C-O 3.57Å; I396-M412 HydrophobicContact CB-CB 4.49Å; I396-M412 HydrophobicContact CG1-CB 4.08Å; I396-M412 HydrophobicContact CG1-CG 3.82Å; I396-M412 HydrophobicContact CG1-SD 4Å; I396-M412 HydrophobicContact CG2-CB 4.42Å; I396-L417 HydrophobicContact CD1-CD1 4.26Å; I396-L417 HydrophobicContact CG1-CD1 4.49Å; I396-W419 HydrophobicContact CD1-CZ2 4.14Å
397	S	96.4	Very high	95	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.021	23%	0.234	C	C	.	.			trans	-63.3	-46	-169.3	-69.3	0	0	0	0	114.8	L341 T342 I344 I395 G411	L341-S397 WeakPolarHBondContact CD1-OG 3.3Å; T342-S397 WeakPolarHBondContact O-CB 3.41Å; T342-S397 PolarHBondContact O-OG 2.73Å; I344-S397 WeakPolarHBondContact CA-O 3.43Å; I395-S397 PolarHBondContact O-N 3.17Å; S397-G411 PolarHBondContact N-O 2.92Å
398	L	96.8	Very high	95.1	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.1	-177.6	-56.5	-176.9	0	0	0	109.3	V116 L119 T342 S410 G411	V116-L398 HydrophobicContact CG1-CD1 4.01Å; L119-L398 HydrophobicContact CB-CB 4.45Å; L119-L398 HydrophobicContact CB-CD1 3.9Å; L119-L398 HydrophobicContact CD2-CB 4.23Å; T342-L398 HydrophobicContact CG2-CD1 4.45Å; T342-L398 HydrophobicContact CG2-CD2 4.07Å; T342-L398 HydrophobicContact CG2-CG 4.18Å; L398-S410 CarbonylContact O-C 3.57Å; L398-S410 WeakPolarHBondContact O-CA 3.23Å; L398-S410 WeakPolarHBondContact O-CB 3.42Å; L398-G411 PolarHBondContact N-O 2.8Å; L398-G411 PolarHBondContact O-N 2.92Å
399	N	97.6	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.4	172.3	-61.3	-80.4	0	0	0	107.4	T347 V356 I373 I396 L408 A409 S410	T347-N399 VanDerWaalsContact CG2-O 3.31Å; T347-N399 WeakPolarHBondContact CG2-O 3.36Å; T347-N399 PolarHBondContact OG1-O 2.85Å; T347-N399 VanDerWaalsContact OG1-O 3.05Å; V356-N399 HydrophobicContact CB-CB 4.43Å; V356-N399 HydrophobicContact CG1-CB 3.65Å; I373-N399 VanDerWaalsContact CD1-OD1 3.3Å; I373-N399 WeakPolarHBondContact CD1-OD1 3.49Å; I373-N399 HydrophobicContact CG2-CB 4.38Å; I396-N399 WeakPolarHBondContact CG2-OD1 3.3Å; I396-N399 PolarHBondContact O-ND2 2.93Å; N399-L408 HydrophobicContact CB-CD1 4.45Å; N399-A409 CarbonylContact C-O 3.6Å; N399-A409 WeakPolarHBondContact CA-O 3.25Å; N399-S410 VanDerWaalsContact OD1-CB 3.28Å; N399-S410 WeakPolarHBondContact OD1-CB 3.27Å; N399-S410 PolarHBondContact OD1-OG 2.91Å
400	K	96.7	Very high	95.4	Very high	56 Å²	56	32.4 Å²	32.4	24%	0.243	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	132.6	172.4	-85.5	-169.6	169.5	179.4	0	110.4	E120 W121 T347 A409	E120-K400 IonicContact OE1-NZ 3.88Å; E120-K400 PolarHBondContact OE1-NZ 3.26Å; E120-K400 IonicContact OE2-NZ 2.76Å; E120-K400 PolarHBondContact OE2-NZ 3.16Å; W121-K400 PolarHBondContact NE1-O 3.43Å; T347-K400 HydrophobicContact CG2-CG 3.95Å; K400-A409 PolarHBondContact N-O 3.4Å; K400-A409 PolarHBondContact O-N 3.29Å
401	F	96.6	Very high	95.7	Very high	12 Å²	12	27.3 Å²	27.3	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	148.7	169.5	-84	-72.8	0	0	0	111.2	F96 L100 Y103 W121 H349 V356 I375 G405 V407 L408	F96-F401 HydrophobicContact CE1-CZ 4.45Å; F96-F401 HydrophobicContact CZ-CE1 4.01Å; F96-F401 HydrophobicContact CZ-CZ 4.05Å; L100-F401 HydrophobicContact CD2-CE1 4.35Å; L100-F401 HydrophobicContact CD2-CZ 4.05Å; Y103-F401 HydrophobicContact CE1-CE1 4.24Å; W121-F401 VanDerWaalsContact NE1-C 3.26Å; W121-F401 PolarHBondContact NE1-O 3.33Å; H349-F401 HydrophobicContact CB-CD2 3.81Å; H349-F401 HydrophobicContact CB-CE2 4.07Å; H349-F401 AromaticContact CD2-CD1 3.89Å; H349-F401 AromaticContact CD2-CD2 3.47Å; H349-F401 VanDerWaalsContact CD2-CD2 3.47Å; H349-F401 WeakPolarHBondContact CD2-CD2 3.43Å; H349-F401 AromaticContact CD2-CE2 3.62Å; H349-F401 AromaticContact CD2-CG 3.6Å; H349-F401 AromaticContact CD2-CZ 3.94Å; V356-F401 HydrophobicContact CG2-CD2 3.59Å; V356-F401 HydrophobicContact CG2-CE2 3.21Å; V356-F401 HydrophobicContact CG2-CZ 4.23Å; I375-F401 HydrophobicContact CD1-CZ 4.42Å; F401-G405 WeakPolarHBondContact CD1-O 3.26Å; F401-V407 CarbonylContact C-O 3.53Å; F401-V407 WeakPolarHBondContact CA-O 3.21Å; F401-V407 WeakPolarHBondContact CD1-O 3.33Å; F401-L408 HydrophobicContact CD1-CB 4.14Å; F401-L408 HydrophobicContact CD1-CD1 4Å; F401-L408 HydrophobicContact CD2-CD1 3.99Å; F401-L408 HydrophobicContact CE1-CB 4.08Å; F401-L408 HydrophobicContact CE1-CD1 4.16Å; F401-L408 HydrophobicContact CE2-CD1 4.19Å; F401-L408 HydrophobicContact CG-CD1 3.91Å; F401-L408 HydrophobicContact CZ-CD1 4.26Å
402	S	95.6	Very high	95.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.			trans	-56.3	155.2	168.4	59.3	0	0	0	0	110.5	W121 P350 T404 G405 D406 V407	W121-S402 VanDerWaalsContact CE2-CA 3.47Å; P350-S402 WeakPolarHBondContact CG-O 3.36Å; S402-T404 PolarHBondContact O-N 2.56Å; S402-T404 PolarHBondContact OG-OG1 3.3Å; S402-T404 VanDerWaalsContact OG-OG1 3.05Å; S402-G405 PolarHBondContact O-N 2.8Å; S402-G405 PolarHBondContact OG-N 3.2Å; S402-D406 PolarHBondContact OG-N 3.23Å; S402-D406 PolarHBondContact OG-OD1 3.05Å; S402-V407 PolarHBondContact N-O 3.01Å; S402-V407 PolarHBondContact OG-N 3.24Å; S402-V407 PolarHBondContact OG-O 3.36Å
403	P	93.1	Very high	95.8	Very high	66 Å²	66	23 Å²	23	43%	0.429	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.2	175.9	-25.8	35.5	0	0	0	113.6	W121	W121-P403 HydrophobicContact CB-CG 4.1Å
404	T	92.9	Very high	96	Very high	71 Å²	71	24.8 Å²	24.8	44%	0.436	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-14.6	174	40.4	0	0	0	0	114.4	S402 D406	S402-T404 PolarHBondContact O-N 2.56Å; S402-T404 PolarHBondContact OG-OG1 3.3Å; S402-T404 VanDerWaalsContact OG-OG1 3.05Å; T404-D406 VanDerWaalsContact C-N 3.27Å; T404-D406 VanDerWaalsContact CB-OD1 3.24Å; T404-D406 WeakPolarHBondContact CB-OD1 3.33Å; T404-D406 PolarHBondContact O-N 3.4Å; T404-D406 PolarHBondContact OG1-OD1 3.08Å
405	G	93.2	Very high	96.1	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	79.4	-4.8	177.6	0	0	0	0	0	116	F96 H349 F401 S402	F96-G405 VanDerWaalsContact CE2-O 3.29Å; F96-G405 WeakPolarHBondContact CE2-O 3.35Å; F96-G405 WeakPolarHBondContact CZ-O 3.47Å; H349-G405 VanDerWaalsContact NE2-CA 3.28Å; H349-G405 WeakPolarHBondContact NE2-CA 3.44Å; H349-G405 PolarHBondContact NE2-O 2.84Å; F401-G405 WeakPolarHBondContact CD1-O 3.26Å; S402-G405 PolarHBondContact O-N 2.8Å; S402-G405 PolarHBondContact OG-N 3.2Å
406	D	93.6	Very high	96.1	Very high	77 Å²	77	25 Å²	25	41%	0.412	14%	0.14	S	C	.	.	S	Bend	trans	-93.5	-11.9	-171.4	64	-26.7	0	0	0	114.8	Y103 S402 T404	Y103-D406 PolarHBondContact OH-O 3.44Å; S402-D406 PolarHBondContact OG-N 3.23Å; S402-D406 PolarHBondContact OG-OD1 3.05Å; T404-D406 VanDerWaalsContact C-N 3.27Å; T404-D406 VanDerWaalsContact CB-OD1 3.24Å; T404-D406 WeakPolarHBondContact CB-OD1 3.33Å; T404-D406 PolarHBondContact O-N 3.4Å; T404-D406 PolarHBondContact OG1-OD1 3.08Å
407	V	96.6	Very high	96.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.024	14%	0.139	C	C	.	.			trans	-131.4	140.5	179.1	-173.9	0	0	0	0	109.3	W121 Y143 F401 S402 I418 W419	W121-V407 HydrophobicContact CH2-CB 4Å; W121-V407 HydrophobicContact CH2-CG1 3.73Å; W121-V407 HydrophobicContact CZ2-CB 4.39Å; W121-V407 HydrophobicContact CZ2-CG1 4.21Å; Y143-V407 HydrophobicContact CE1-CG1 4.49Å; F401-V407 CarbonylContact C-O 3.53Å; F401-V407 WeakPolarHBondContact CA-O 3.21Å; F401-V407 WeakPolarHBondContact CD1-O 3.33Å; S402-V407 PolarHBondContact N-O 3.01Å; S402-V407 PolarHBondContact OG-N 3.24Å; S402-V407 PolarHBondContact OG-O 3.36Å; V407-I418 HydrophobicContact CG1-CG2 3.63Å; V407-W419 WeakPolarHBondContact CG1-O 3.28Å
408	L	97.9	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.8	173.9	-176.4	75.8	0	0	0	109.5	V356 I373 L387 N399 F401 W419	V356-L408 HydrophobicContact CG1-CD1 4.26Å; V356-L408 HydrophobicContact CG1-CD2 4.46Å; V356-L408 HydrophobicContact CG2-CD1 4.37Å; I373-L408 HydrophobicContact CD1-CD2 3.92Å; I373-L408 HydrophobicContact CG2-CD2 4.19Å; L387-L408 HydrophobicContact CD1-CD2 3.83Å; N399-L408 HydrophobicContact CB-CD1 4.45Å; F401-L408 HydrophobicContact CD1-CB 4.14Å; F401-L408 HydrophobicContact CD1-CD1 4Å; F401-L408 HydrophobicContact CD2-CD1 3.99Å; F401-L408 HydrophobicContact CE1-CB 4.08Å; F401-L408 HydrophobicContact CE1-CD1 4.16Å; F401-L408 HydrophobicContact CE2-CD1 4.19Å; F401-L408 HydrophobicContact CG-CD1 3.91Å; F401-L408 HydrophobicContact CZ-CD1 4.26Å; L408-W419 HydrophobicContact CB-CB 4.19Å; L408-W419 HydrophobicContact CD2-CG 4.46Å; L408-W419 PolarHBondContact N-O 2.95Å; L408-W419 PolarHBondContact O-N 2.9Å
409	A	98.1	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.6	168.7	0	0	0	0	0	109.8	L119 W121 V129 N399 K400 L417 I418	L119-A409 HydrophobicContact CD1-CB 4.25Å; L119-A409 HydrophobicContact CD2-CB 4.19Å; W121-A409 HydrophobicContact CH2-CB 4.23Å; W121-A409 HydrophobicContact CZ2-CB 3.41Å; W121-A409 VanDerWaalsContact CZ2-CB 3.41Å; V129-A409 HydrophobicContact CG1-CB 4.07Å; N399-A409 CarbonylContact C-O 3.6Å; N399-A409 WeakPolarHBondContact CA-O 3.25Å; K400-A409 PolarHBondContact N-O 3.4Å; K400-A409 PolarHBondContact O-N 3.29Å; A409-L417 CarbonylContact C-O 3.56Å; A409-L417 WeakPolarHBondContact CA-O 3.34Å; A409-I418 HydrophobicContact CB-CD1 3.9Å
410	S	98.2	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.1	179.1	-47.5	0	0	0	0	113.1	I373 I396 L398 N399 I416 L417 W419	I373-S410 WeakPolarHBondContact CD1-OG 3.45Å; I396-S410 VanDerWaalsContact CG2-CB 3.42Å; L398-S410 CarbonylContact O-C 3.57Å; L398-S410 WeakPolarHBondContact O-CA 3.23Å; L398-S410 WeakPolarHBondContact O-CB 3.42Å; N399-S410 VanDerWaalsContact OD1-CB 3.28Å; N399-S410 WeakPolarHBondContact OD1-CB 3.27Å; N399-S410 PolarHBondContact OD1-OG 2.91Å; S410-I416 WeakPolarHBondContact O-CA 3.26Å; S410-L417 PolarHBondContact N-O 2.97Å; S410-L417 PolarHBondContact O-N 3.14Å; S410-W419 PolarHBondContact OG-NE1 2.84Å
411	G	97.4	Very high	95.8	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.1	169.9	0	0	0	0	0	111	I396 S397 L398	I396-G411 CarbonylContact C-O 3.57Å; S397-G411 PolarHBondContact N-O 2.92Å; L398-G411 PolarHBondContact N-O 2.8Å; L398-G411 PolarHBondContact O-N 2.92Å
412	M	96.5	Very high	94.9	Very high	15 Å²	15	30.3 Å²	30.3	7%	0.074	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	90.1	-177.4	-176.5	-170	69.5	0	0	110.1	A392 G394 I395 I396 F414 N415 L417	A392-M412 HydrophobicContact CB-CE 4.49Å; A392-M412 HydrophobicContact CB-SD 4.03Å; G394-M412 VanDerWaalsContact CA-SD 3.55Å; G394-M412 PolarHBondContact N-SD 3.2Å; G394-M412 VanDerWaalsContact N-SD 3.39Å; I395-M412 WeakPolarHBondContact O-CG 3.48Å; I396-M412 HydrophobicContact CB-CB 4.49Å; I396-M412 HydrophobicContact CG1-CB 4.08Å; I396-M412 HydrophobicContact CG1-CG 3.82Å; I396-M412 HydrophobicContact CG1-SD 4Å; I396-M412 HydrophobicContact CG2-CB 4.42Å; M412-F414 PolarHBondContact O-N 2.78Å; M412-F414 VanDerWaalsContact O-N 3.09Å; M412-N415 HydrophobicContact CE-CB 4.04Å; M412-N415 PolarHBondContact N-O 2.97Å; M412-N415 PolarHBondContact O-N 3.12Å; M412-L417 HydrophobicContact CB-CD1 3.86Å; M412-L417 HydrophobicContact CB-CG 4.23Å; M412-L417 HydrophobicContact CE-CD1 4.31Å; M412-L417 HydrophobicContact CE-CD2 4.15Å; M412-L417 HydrophobicContact CG-CD1 4.48Å; M412-L417 HydrophobicContact SD-CD1 3.97Å
413	G	94.5	Very high	93.6	Very high	30 Å²	30	34.3 Å²	34.3	31%	0.309	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-112.5	-174.5	0	0	0	0	0	110.7	R115 V116	R115-G413 CarbonylContact C-O 3.46Å; R115-G413 VanDerWaalsContact CA-O 3.23Å; R115-G413 WeakPolarHBondContact CA-O 3.34Å; R115-G413 WeakPolarHBondContact CB-O 3.33Å; V116-G413 PolarHBondContact N-O 3.31Å
414	F	95.1	Very high	92.4	Very high	106 Å²	106	33.6 Å²	33.6	47%	0.465	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.5	177.2	-56	-102.1	0	0	0	112.9	D113 R114 M412	D113-F414 WeakPolarHBondContact O-CE1 3.27Å; R114-F414 VanDerWaalsContact C-CD1 3.49Å; M412-F414 PolarHBondContact O-N 2.78Å; M412-F414 VanDerWaalsContact O-N 3.09Å
415	N	96.9	Very high	90.8	Very high	54 Å²	54	31.5 Å²	31.5	29%	0.289	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137	-166.8	-60.5	2.9	0	0	0	111.5	A109 M412 L417	A109-N415 CarbonylContact O-C 3.59Å; A109-N415 WeakPolarHBondContact O-CA 3.45Å; M412-N415 HydrophobicContact CE-CB 4.04Å; M412-N415 PolarHBondContact N-O 2.97Å; M412-N415 PolarHBondContact O-N 3.12Å; N415-L417 HydrophobicContact CB-CD2 4.24Å
416	I	97.1	Very high	89	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.1	164.3	-47.5	165.4	0	0	0	106.9	T108 A109 P111 V116 V131 I139 W141 S410	T108-I416 VanDerWaalsContact CA-O 3.3Å; T108-I416 WeakPolarHBondContact CA-O 3.39Å; A109-I416 HydrophobicContact CB-CD1 4.5Å; A109-I416 PolarHBondContact N-O 3.13Å; A109-I416 PolarHBondContact O-N 3.1Å; P111-I416 HydrophobicContact CG-CD1 3.8Å; V116-I416 HydrophobicContact CG2-CG1 4.42Å; V131-I416 HydrophobicContact CB-CD1 4.01Å; V131-I416 HydrophobicContact CB-CG1 4.42Å; V131-I416 HydrophobicContact CG1-CD1 4.22Å; V131-I416 HydrophobicContact CG1-CG1 4.12Å; V131-I416 HydrophobicContact CG2-CD1 3.66Å; V131-I416 HydrophobicContact CG2-CG1 4.06Å; V131-I416 HydrophobicContact CG2-CG2 4.26Å; I139-I416 HydrophobicContact CG2-CD1 4.16Å; W141-I416 HydrophobicContact CE3-CB 4.36Å; W141-I416 HydrophobicContact CE3-CD1 4.12Å; W141-I416 HydrophobicContact CE3-CG2 3.97Å; W141-I416 HydrophobicContact CZ3-CB 4.01Å; W141-I416 HydrophobicContact CZ3-CG2 3.71Å; S410-I416 WeakPolarHBondContact O-CA 3.26Å
417	L	97.6	Very high	87	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136	177.5	-49.6	178.7	0	0	0	109.3	L105 T108 A392 I396 A409 S410 M412 N415 W419	L105-L417 HydrophobicContact CD1-CB 3.85Å; L105-L417 HydrophobicContact CD1-CD2 4.17Å; L105-L417 HydrophobicContact CD1-CG 4.45Å; T108-L417 HydrophobicContact CG2-CD2 3.66Å; A392-L417 HydrophobicContact CB-CD1 3.87Å; I396-L417 HydrophobicContact CD1-CD1 4.26Å; I396-L417 HydrophobicContact CG1-CD1 4.49Å; A409-L417 CarbonylContact C-O 3.56Å; A409-L417 WeakPolarHBondContact CA-O 3.34Å; S410-L417 PolarHBondContact N-O 2.97Å; S410-L417 PolarHBondContact O-N 3.14Å; M412-L417 HydrophobicContact CB-CD1 3.86Å; M412-L417 HydrophobicContact CB-CG 4.23Å; M412-L417 HydrophobicContact CE-CD1 4.31Å; M412-L417 HydrophobicContact CE-CD2 4.15Å; M412-L417 HydrophobicContact CG-CD1 4.48Å; M412-L417 HydrophobicContact SD-CD1 3.97Å; N415-L417 HydrophobicContact CB-CD2 4.24Å; L417-W419 HydrophobicContact CD1-CZ2 3.92Å
418	I	97.3	Very high	85	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.4	172.7	-55.4	-61.7	0	0	0	108.3	H106 R107 W141 Y143 V407 A409	H106-I418 HydrophobicContact CB-CG2 4.39Å; H106-I418 WeakPolarHBondContact CB-O 3.42Å; H106-I418 PolarHBondContact N-O 3.26Å; R107-I418 HydrophobicContact CB-CB 4.39Å; R107-I418 PolarHBondContact N-O 2.82Å; R107-I418 PolarHBondContact O-N 2.77Å; W141-I418 HydrophobicContact CH2-CG1 4.06Å; W141-I418 HydrophobicContact CZ3-CD1 4.2Å; W141-I418 HydrophobicContact CZ3-CG1 3.81Å; Y143-I418 HydrophobicContact CD1-CB 4.45Å; Y143-I418 HydrophobicContact CD1-CD1 3.6Å; Y143-I418 HydrophobicContact CD1-CG1 3.66Å; Y143-I418 HydrophobicContact CD1-CG2 4Å; Y143-I418 HydrophobicContact CD2-CG2 4.33Å; Y143-I418 HydrophobicContact CE1-CD1 3.97Å; Y143-I418 HydrophobicContact CE1-CG1 4.21Å; Y143-I418 HydrophobicContact CE1-CG2 3.76Å; Y143-I418 HydrophobicContact CE2-CG2 4.14Å; Y143-I418 HydrophobicContact CG-CD1 4.39Å; Y143-I418 HydrophobicContact CG-CG1 3.95Å; Y143-I418 HydrophobicContact CG-CG2 4.29Å; V407-I418 HydrophobicContact CG1-CG2 3.63Å; A409-I418 HydrophobicContact CB-CD1 3.9Å
419	W	96.8	Very high	82.5	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.1	177.4	-46.4	77.9	0	0	0	109.9	Y103 K104 L105 I373 L387 D389 A392 I396 V407 L408 S410 L417	Y103-W419 HydrophobicContact CD1-CB 4.2Å; K104-W419 WeakPolarHBondContact O-CA 3.25Å; L105-W419 HydrophobicContact CB-CE3 4.36Å; L105-W419 HydrophobicContact CB-CZ3 4.37Å; L105-W419 HydrophobicContact CD1-CD2 4.4Å; I373-W419 HydrophobicContact CD1-CD2 4.31Å; I373-W419 VanDerWaalsContact CD1-CE2 3.45Å; I373-W419 HydrophobicContact CD1-CH2 4.42Å; I373-W419 HydrophobicContact CD1-CZ2 3.54Å; I373-W419 HydrophobicContact CG1-CZ2 4.5Å; L387-W419 HydrophobicContact CB-CE3 4.41Å; L387-W419 HydrophobicContact CB-CZ3 4.29Å; L387-W419 HydrophobicContact CD1-CD2 4.49Å; D389-W419 HydrophobicContact CB-CH2 3.82Å; D389-W419 HydrophobicContact CB-CZ3 3.78Å; A392-W419 HydrophobicContact CB-CH2 4.21Å; A392-W419 HydrophobicContact CB-CZ2 4.36Å; I396-W419 HydrophobicContact CD1-CZ2 4.14Å; V407-W419 WeakPolarHBondContact CG1-O 3.28Å; L408-W419 HydrophobicContact CB-CB 4.19Å; L408-W419 HydrophobicContact CD2-CG 4.46Å; L408-W419 PolarHBondContact N-O 2.95Å; L408-W419 PolarHBondContact O-N 2.9Å; S410-W419 PolarHBondContact OG-NE1 2.84Å; L417-W419 HydrophobicContact CD1-CZ2 3.92Å
420	N	94.7	Very high	79.7	Confident	16 Å²	16	48.9 Å²	48.9	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.5	-177.9	-164.4	-16.9	0	0	0	109.4	Y103 K104 H106 T424 L425	Y103-N420 WeakPolarHBondContact CA-O 3.49Å; K104-N420 PolarHBondContact N-O 3.05Å; K104-N420 PolarHBondContact O-N 3.3Å; H106-N420 HydrophobicContact CB-CB 4.01Å; N420-T424 VanDerWaalsContact CG-OG1 3.29Å; N420-T424 PolarHBondContact ND2-OG1 3.31Å; N420-T424 PolarHBondContact OD1-OG1 2.79Å; N420-L425 HydrophobicContact CB-CD2 4.08Å
421	R	91.8	Very high	77.1	Confident	99 Å²	99	55.9 Å²	55.9	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.2	-179.1	-179.9	176.7	170.5	175	-6.8	111.2	S102 Y103 D423 T424	S102-R421 WeakPolarHBondContact O-CA 3.32Å; Y103-R421 HydrophobicContact CD2-CB 4.13Å; Y103-R421 HydrophobicContact CE2-CB 4.16Å; R421-D423 HydrophobicContact CG-CB 4.33Å; R421-D423 IonicContact CZ-OD2 2.78Å; R421-D423 IonicContact NE-OD2 3.54Å; R421-D423 PolarHBondContact NE-OD2 2.89Å; R421-D423 IonicContact NH2-OD2 3.86Å; R421-D423 PolarHBondContact NH2-OD2 3.15Å; R421-D423 PolarHBondContact O-N 2.78Å; R421-T424 HydrophobicContact CB-CG2 4.48Å; R421-T424 PolarHBondContact O-N 2.56Å; R421-T424 PolarHBondContact O-OG1 3.08Å
422	E	78.5	Confident	74.5	Confident	89 Å²	89	60.3 Å²	60.3	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-50.5	-36.4	-176.3	179.8	161.8	-142.7	0	0	114.7	S102 K104 T424 L425 S426	S102-E422 PolarHBondContact O-N 3.08Å; K104-E422 HydrophobicContact CD-CB 4.32Å; K104-E422 HydrophobicContact CD-CG 4.39Å; K104-E422 WeakPolarHBondContact CE-OE2 3.31Å; K104-E422 IonicContact NZ-OE1 2.79Å; K104-E422 PolarHBondContact NZ-OE1 2.86Å; K104-E422 IonicContact NZ-OE2 3.91Å; K104-E422 PolarHBondContact NZ-OE2 2.91Å; E422-T424 VanDerWaalsContact C-N 3.31Å; E422-T424 PolarHBondContact O-N 3.37Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 2.95Å; E422-S426 PolarHBondContact O-N 3.25Å; E422-S426 VanDerWaalsContact O-N 3.13Å
423	D	68.6	Low	71.6	Confident	83 Å²	83	64.1 Å²	64.1	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-58	-39.6	176.9	-60.9	-45.5	0	0	0	112.7	R421 S426 S427	R421-D423 HydrophobicContact CG-CB 4.33Å; R421-D423 IonicContact CZ-OD2 2.78Å; R421-D423 IonicContact NE-OD2 3.54Å; R421-D423 PolarHBondContact NE-OD2 2.89Å; R421-D423 IonicContact NH2-OD2 3.86Å; R421-D423 PolarHBondContact NH2-OD2 3.15Å; R421-D423 PolarHBondContact O-N 2.78Å; D423-S426 PolarHBondContact O-OG 2.84Å; D423-S427 PolarHBondContact O-N 2.85Å
424	T	67.4	Low	69.2	Low	52 Å²	52	68.4 Å²	68.4	32%	0.319	34%	0.341	S	S	.	.	H	α-helix	trans	-69.9	-39.6	179.6	68.5	0	0	0	0	110.5	N420 R421 E422 S426 S427 V428	N420-T424 VanDerWaalsContact CG-OG1 3.29Å; N420-T424 PolarHBondContact ND2-OG1 3.31Å; N420-T424 PolarHBondContact OD1-OG1 2.79Å; R421-T424 HydrophobicContact CB-CG2 4.48Å; R421-T424 PolarHBondContact O-N 2.56Å; R421-T424 PolarHBondContact O-OG1 3.08Å; E422-T424 VanDerWaalsContact C-N 3.31Å; E422-T424 PolarHBondContact O-N 3.37Å; T424-S426 VanDerWaalsContact C-N 3.33Å; T424-S426 PolarHBondContact O-N 3.18Å; T424-S427 WeakPolarHBondContact O-CB 3.48Å; T424-S427 PolarHBondContact O-N 3.46Å; T424-S427 PolarHBondContact O-OG 3.16Å; T424-V428 PolarHBondContact O-N 2.93Å
425	L	59.8	Low	66.6	Low	26 Å²	26	69 Å²	69	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-45.2	177.6	-51	-172.2	0	0	0	111.4	H106 N420 E422 S427 V428 N429	H106-L425 HydrophobicContact CB-CD1 4.48Å; H106-L425 HydrophobicContact CB-CD2 4.01Å; H106-L425 VanDerWaalsContact ND1-CD2 3.27Å; H106-L425 WeakPolarHBondContact ND1-CD2 2.99Å; N420-L425 HydrophobicContact CB-CD2 4.08Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 2.95Å; L425-S427 PolarHBondContact O-N 2.68Å; L425-V428 PolarHBondContact O-N 3.39Å; L425-N429 PolarHBondContact O-N 3.45Å
426	S	54	Low	63.7	Low	69 Å²	69	71.6 Å²	71.6	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-34.5	176.7	81.8	0	0	0	0	112.9	E422 D423 T424 R430	E422-S426 PolarHBondContact O-N 3.25Å; E422-S426 VanDerWaalsContact O-N 3.13Å; D423-S426 PolarHBondContact O-OG 2.84Å; T424-S426 VanDerWaalsContact C-N 3.33Å; T424-S426 PolarHBondContact O-N 3.18Å; S426-R430 PolarHBondContact O-N 3.4Å
427	S	51.9	Low	60.7	Low	55 Å²	55	74.3 Å²	74.3	39%	0.385	40%	0.4	S	S	.	.	H	α-helix	trans	-78.5	-33.2	-179.8	81.6	0	0	0	0	113.2	D423 T424 L425 K431	D423-S427 PolarHBondContact O-N 2.85Å; T424-S427 WeakPolarHBondContact O-CB 3.48Å; T424-S427 PolarHBondContact O-N 3.46Å; T424-S427 PolarHBondContact O-OG 3.16Å; L425-S427 PolarHBondContact O-N 2.68Å; S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.18Å
428	V	54.1	Low	57.8	Low	39 Å²	39	82.9 Å²	82.9	24%	0.236	44%	0.44	C	S	.	.	H	α-helix	trans	-69.7	-46.3	174.3	175	0	0	0	0	110.1	T424 L425 R430 K431 Q432	T424-V428 PolarHBondContact O-N 2.93Å; L425-V428 PolarHBondContact O-N 3.39Å; V428-R430 VanDerWaalsContact C-N 3.34Å; V428-R430 PolarHBondContact O-N 3.3Å; V428-K431 WeakPolarHBondContact O-CB 3.36Å; V428-K431 PolarHBondContact O-N 3.2Å; V428-Q432 PolarHBondContact O-N 3.14Å
429	N	46.9	Very low	54.8	Low	92 Å²	92	90.5 Å²	90.5	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-57.8	-45.4	177.6	-74.4	0.6	0	0	0	111.6	L425 K431 Q432 T433	L425-N429 PolarHBondContact O-N 3.45Å; N429-K431 VanDerWaalsContact C-N 3.34Å; N429-K431 PolarHBondContact O-N 3.35Å; N429-Q432 PolarHBondContact O-N 3.36Å; N429-T433 PolarHBondContact O-N 2.88Å; N429-T433 PolarHBondContact O-OG1 2.95Å
430	R	38	Very low	52	Low	193 Å²	193	97.1 Å²	97.1	73%	0.728	52%	0.521	S	S	*	.	H	α-helix	trans	-57.9	-41.5	174	-83.2	-171.5	179.1	-176.2	2.1	113.2	S426 V428 T433 I434	S426-R430 PolarHBondContact O-N 3.4Å; V428-R430 VanDerWaalsContact C-N 3.34Å; V428-R430 PolarHBondContact O-N 3.3Å; R430-T433 PolarHBondContact O-N 2.64Å; R430-I434 WeakPolarHBondContact O-CD1 3.5Å; R430-I434 WeakPolarHBondContact O-CG1 3.4Å; R430-I434 PolarHBondContact O-N 3.46Å
431	K	43.4	Very low	48.9	Very low	147 Å²	147	100 Å²	100	64%	0.639	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-41.1	177.6	-75.8	175.8	177.3	179.3	0	111.6	S427 V428 N429 I434 V435	S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.18Å; V428-K431 WeakPolarHBondContact O-CB 3.36Å; V428-K431 PolarHBondContact O-N 3.2Å; N429-K431 VanDerWaalsContact C-N 3.34Å; N429-K431 PolarHBondContact O-N 3.35Å; K431-I434 PolarHBondContact O-N 2.88Å; K431-V435 WeakPolarHBondContact O-CG2 3.39Å; K431-V435 PolarHBondContact O-N 2.88Å
432	Q	44.3	Very low	45.9	Very low	96 Å²	96	99 Å²	99	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-40.3	175.6	-71.9	-177.8	-18.1	0	0	112.1	V428 N429 I434 V435 T436	V428-Q432 PolarHBondContact O-N 3.14Å; N429-Q432 PolarHBondContact O-N 3.36Å; Q432-I434 VanDerWaalsContact C-N 3.27Å; Q432-I434 PolarHBondContact O-N 2.7Å; Q432-V435 PolarHBondContact O-N 3.13Å; Q432-T436 PolarHBondContact O-N 2.93Å; Q432-T436 VanDerWaalsContact O-N 3.11Å; Q432-T436 PolarHBondContact O-OG1 3.4Å
433	T	36	Very low	43.7	Very low	96 Å²	96	106.8 Å²	106.8	59%	0.589	60%	0.601	S	S	*	*	H	α-helix	trans	-62.2	-34.9	178.5	-20.5	0	0	0	0	112.7	N429 R430 T436 G437	N429-T433 PolarHBondContact O-N 2.88Å; N429-T433 PolarHBondContact O-OG1 2.95Å; R430-T433 PolarHBondContact O-N 2.64Å; T433-T436 WeakPolarHBondContact CA-OG1 3.46Å; T433-T436 PolarHBondContact O-OG1 3.4Å; T433-G437 PolarHBondContact O-N 3.25Å
434	I	42.7	Very low	41.8	Very low	120 Å²	120	107.6 Å²	107.6	62%	0.615	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-44.5	178.2	-67	164.7	0	0	0	110.6	R430 K431 Q432 T436 G437	R430-I434 WeakPolarHBondContact O-CD1 3.5Å; R430-I434 WeakPolarHBondContact O-CG1 3.4Å; R430-I434 PolarHBondContact O-N 3.46Å; K431-I434 PolarHBondContact O-N 2.88Å; Q432-I434 VanDerWaalsContact C-N 3.27Å; Q432-I434 PolarHBondContact O-N 2.7Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 2.63Å; I434-G437 PolarHBondContact O-N 2.81Å
435	V	40.8	Very low	39.9	Very low	119 Å²	119	109.3 Å²	109.3	72%	0.721	65%	0.647	S	S	*	*	H	α-helix	trans	-66	-31.5	179.2	176.2	0	0	0	0	112.1	K431 Q432 G437	K431-V435 WeakPolarHBondContact O-CG2 3.39Å; K431-V435 PolarHBondContact O-N 2.88Å; Q432-V435 PolarHBondContact O-N 3.13Å; V435-G437 PolarHBondContact O-N 2.85Å
436	T	35.5	Very low	38.3	Very low	107 Å²	107	112.1 Å²	112.1	66%	0.656	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-0.6	172.8	52.4	0	0	0	0	114.3	Q432 T433 I434	Q432-T436 PolarHBondContact O-N 2.93Å; Q432-T436 VanDerWaalsContact O-N 3.11Å; Q432-T436 PolarHBondContact O-OG1 3.4Å; T433-T436 WeakPolarHBondContact CA-OG1 3.46Å; T433-T436 PolarHBondContact O-OG1 3.4Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 2.63Å
437	G	35	Very low	37.1	Very low	59 Å²	59	115 Å²	115	61%	0.608	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-16.3	-170.5	0	0	0	0	0	116.4	T433 I434 V435	T433-G437 PolarHBondContact O-N 3.25Å; I434-G437 PolarHBondContact O-N 2.81Å; V435-G437 PolarHBondContact O-N 2.85Å
438	E	35.5	Very low	36	Very low	181 Å²	181	124.2 Å²	124.2	85%	0.846	73%	0.729	S	S	*	*	S	Bend	trans	-94.1	-9.4	-167.9	-62.9	-165.7	127.8	0	0	115.1
439	D	35.3	Very low	34.8	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	76%	0.756	S	S	*	*	S	Bend	trans	-117.4	26.8	-165.6	-130.7	-9.1	0	0	0	115.4
440	V	37.5	Very low	34	Very low	141 Å²	141	131 Å²	131	86%	0.855	77%	0.768	S	S	*	*			trans	-129.9	81.7	171.4	-172.2	0	0	0	0	110.8
441	G	29.6	Very low	33.5	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	77%	0.774	S	S	*	*			trans	-125.1	21.3	-174.7	0	0	0	0	0	116.1
442	G	29.9	Very low	32.7	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	78%	0.782	S	S	*	*			trans	-68.4	128.6	-178.4	0	0	0	0	0	113.7
443	R	31.4	Very low	31.9	Very low	251 Å²	251	131.7 Å²	131.7	95%	0.947	80%	0.796	S	S	*	*			trans	-76.7	145.5	-176.3	-66.1	175.2	172.4	173.7	-3.1	113.9
444	A	29	Very low	31.6	Very low	101 Å²	101	136.7 Å²	136.7	84%	0.835	81%	0.813	S	S	*	*			trans	-152.6	148.1	152.5	0	0	0	0	0	112.2
445	G	27.8	Very low	30.9	Very low	88 Å²	88	140.3 Å²	140.3	91%	0.907	83%	0.827	S	S	*	*			trans	49.3	117.6	154.3	0	0	0	0	0	120.8
446	G	26.8	Very low	30.4	Very low	85 Å²	85	145.6 Å²	145.6	88%	0.876	83%	0.834	S	S	*	*			trans	-117.4	167.3	171.9	0	0	0	0	0	114.6
447	S	28.5	Very low	30.3	Very low	129 Å²	129	146.2 Å²	146.2	90%	0.902	84%	0.84	S	S	*	*			trans	-145.1	173.3	165.5	72.9	0	0	0	0	111.1
448	R	28.7	Very low	29.9	Very low	248 Å²	248	148.1 Å²	148.1	94%	0.936	84%	0.844	S	S	*	*			trans	-112	136.5	-163.6	-72.8	171.2	162.8	165.5	-7.4	114.8
449	S	27.7	Very low	29.6	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	85%	0.846	S	S	*	*			trans	-162.5	111.7	141.7	42	0	0	0	0	108.5
450	Q	30.1	Very low	29.3	Very low	157 Å²	157	149.4 Å²	149.4	73%	0.734	84%	0.839	S	S	*	*				76.4	106.3	84.8	-85.6	-139.2	24	0	0	116.7
451	R	27.3	Very low	29	Very low	230 Å²	230	154 Å²	154	87%	0.868	84%	0.841	S	S	*	*			trans	65.4	155.6	149	-66.1	174.1	166.8	172.4	-6.2	117
452	S	26.6	Very low	28.9	Very low	115 Å²	115	162.4 Å²	162.4	80%	0.804	85%	0.849	S	S	*	*			cis	-135.5	178	1.2	65.4	0	0	0	0	111.8
453	S	28.4	Very low	28.8	Very low	106 Å²	106	163.6 Å²	163.6	74%	0.741	85%	0.851	S	S	*	*			trans	-100.4	143.4	179.5	54.4	0	0	0	0	113.1
454	Q	30	Very low	28.7	Very low	202 Å²	202	156.8 Å²	156.8	94%	0.944	85%	0.848	S	S	*	*			trans	-137.4	152.4	152.1	-99.8	-178.5	-6	0	0	111
455	Q	28.6	Very low	28.7	Very low	195 Å²	195	156.3 Å²	156.3	91%	0.911	84%	0.844	S	S	*	*			trans	-102.2	167.2	-167.1	-69.7	174.6	-50.7	0	0	113.3
456	R	28.9	Very low	28.9	Very low	230 Å²	230	159.1 Å²	159.1	87%	0.868	84%	0.839	S	S	*	*			trans	-71.4	162.7	169.1	-63.2	176.2	172.9	171.2	-4.1	111.3
457	P	33.3	Very low	29.1	Very low	120 Å²	120	164.4 Å²	164.4	78%	0.779	84%	0.84	S	S	*	*				-128.2	134.3	95.9	23.5	-8.5	0	0	0	111.4
458	S	27.1	Very low	29.2	Very low	99 Å²	99	163 Å²	163	69%	0.692	84%	0.837	S	S	*	*			cis	77.9	102.6	49.3	79.3	0	0	0	0	114.7
459	R	29	Very low	29.4	Very low	237 Å²	237	159.9 Å²	159.9	89%	0.894	83%	0.83	S	S	*	*			trans	-149.8	132.2	154.2	-144.2	164.9	-172.4	165.3	3.7	111.2
460	D	30	Very low	29.5	Very low	132 Å²	132	162.5 Å²	162.5	71%	0.706	83%	0.834	S	S	*	*			trans	6.9	127.2	170.9	-46.9	-49.8	0	0	0	120.1
461	R	30.1	Very low	29.6	Very low	237 Å²	237	165.2 Å²	165.2	89%	0.894	84%	0.844	S	S	*	*				61.2	94.2	54.8	-81.7	-171.1	161	-175.5	-3.5	115.8
462	R	27.2	Very low	29.8	Very low	253 Å²	253	164.2 Å²	164.2	96%	0.955	85%	0.845	S	S	*	*				-173.3	176.2	128.6	-103.8	164.1	-174.1	-169.8	1.9	111
463	A	28.8	Very low	29.9	Very low	104 Å²	104	168.6 Å²	168.6	86%	0.86	85%	0.85	S	S	*	*			trans	62.7	84.3	177.8	0	0	0	0	0	116.7
464	A	29.3	Very low	29.9	Very low	108 Å²	108	172.2 Å²	172.2	89%	0.893	86%	0.86	S	S	*	*			trans	-138	58.9	163.8	0	0	0	0	0	110
465	A	29.5	Very low	29.7	Very low	91 Å²	91	168.2 Å²	168.2	75%	0.752	86%	0.855	S	S	*	*			trans	-162.9	61	-177.6	0	0	0	0	0	113.2
466	D	30.1	Very low	29.8	Very low	148 Å²	148	163.8 Å²	163.8	79%	0.791	85%	0.851	S	S	*	*			trans	-176.6	82.4	151.8	-105.8	-28.6	0	0	0	112.5
467	E	32.4	Very low	29.7	Very low	195 Å²	195	159.7 Å²	159.7	91%	0.911	85%	0.852	S	S	*	*			trans	-152.1	32.5	155.9	-136.2	173.2	-164.5	0	0	114.8
468	A	31.2	Very low	29.5	Very low	101 Å²	101	163.2 Å²	163.2	84%	0.835	86%	0.858	S	S	*	*	S	Bend	trans	-99.1	29.3	178.4	0	0	0	0	0	113.7
469	K	31	Very low	29.6	Very low	182 Å²	182	165.4 Å²	165.4	79%	0.791	87%	0.867	S	S	*	*			trans	-139	32.6	-166.8	-82.6	-175.1	-179.3	164.3	0	117.1
470	L	31.4	Very low	29.7	Very low	170 Å²	170	164.3 Å²	164.3	89%	0.89	87%	0.869	S	S	*	*	S	Bend	trans	-136.1	32.2	177	-114.7	152	0	0	0	117.2
471	K	31.5	Very low	29.6	Very low	215 Å²	215	163.6 Å²	163.6	94%	0.935	87%	0.874	S	S	*	*	S	Bend	trans	-130.9	53.7	163.7	-77.1	-168.3	174.6	-179.3	0	113.3
472	K	32.2	Very low	29.6	Very low	208 Å²	208	161.4 Å²	161.4	90%	0.904	87%	0.871	S	S	*	*			trans	-157.2	53.4	170	-139.1	171.3	-173.3	176.9	0	116.4
473	K	27.8	Very low	29.6	Very low	208 Å²	208	154.7 Å²	154.7	90%	0.904	86%	0.858	S	S	*	*			trans	-138.7	145.2	161.7	-82.6	-171.4	173.8	-178.4	0	109.6
474	L	28.6	Very low	29.7	Very low	181 Å²	181	158.9 Å²	158.9	95%	0.948	86%	0.857	S	S	*	*	S	Bend	trans	96.1	48.3	-172	-60.9	168.7	0	0	0	116.9
475	S	26.6	Very low	29.6	Very low	119 Å²	119	158.3 Å²	158.3	83%	0.832	85%	0.847	S	S	*	*	S	Bend	trans	-151.4	154.9	149.9	56.9	0	0	0	0	110
476	A	29	Very low	29.6	Very low	101 Å²	101	163.1 Å²	163.1	84%	0.835	85%	0.851	S	S	*	*			trans	63.2	90.8	-178.1	0	0	0	0	0	117.2
477	T	27.8	Very low	29.6	Very low	145 Å²	145	161.9 Å²	161.9	89%	0.89	85%	0.849	S	S	*	*			trans	-117.3	96.3	147.6	47.6	0	0	0	0	108.8
478	E	28.5	Very low	29.4	Very low	194 Å²	194	161.2 Å²	161.2	91%	0.907	85%	0.846	S	S	*	*			trans	-154.3	128.5	168.8	-133.9	172.9	-128.3	0	0	110.1
479	T	30.4	Very low	29.3	Very low	144 Å²	144	161 Å²	161	88%	0.883	84%	0.838	S	S	*	*			trans	-107.6	135.3	-173.3	38.7	0	0	0	0	111.6
480	K	29.6	Very low	29.3	Very low	215 Å²	215	161.8 Å²	161.8	94%	0.935	84%	0.841	S	S	*	*			trans	-80.9	143.1	-179.1	-66.2	178.6	178	176.9	0	112.4
481	S	27.8	Very low	29.3	Very low	117 Å²	117	160.2 Å²	160.2	82%	0.818	84%	0.839	S	S	*	*			trans	-131	160.1	148.6	60.2	0	0	0	0	110.2
482	K	30.3	Very low	29.3	Very low	191 Å²	191	155.8 Å²	155.8	83%	0.83	84%	0.835	S	S	*	*			trans	-94.1	176.7	-176.9	-57.1	171.9	-179.1	171	0	108.9
483	T	28.4	Very low	29.6	Very low	111 Å²	111	155.1 Å²	155.1	68%	0.681	83%	0.833	S	S	*	*			cis	-172.5	152.8	28.4	-25.9	0	0	0	0	111.2
484	K	29.5	Very low	29.9	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.835	83%	0.825	S	S	*	*			trans	61	163.8	154.3	-78.1	171	179.8	-179.2	0	117.9
485	S	28.5	Very low	30.3	Very low	97 Å²	97	150.4 Å²	150.4	68%	0.678	82%	0.818	S	S	*	*			cis	-173.5	157.5	-36.1	55.9	0	0	0	0	110.7
486	K	28.6	Very low	30.9	Very low	191 Å²	191	153.6 Å²	153.6	83%	0.83	82%	0.817	S	S	*	*			trans	78.5	116.7	168.7	-69.3	-168.6	172	-171.4	0	119.5
487	T	30.1	Very low	31.7	Very low	123 Å²	123	161.9 Å²	161.9	76%	0.755	83%	0.834	S	S	*	*				1	134.8	129.8	51.7	0	0	0	0	119.1
488	E	29.1	Very low	31.9	Very low	180 Å²	180	162.8 Å²	162.8	84%	0.841	83%	0.831	S	S	*	*				-157.8	179	97	-127.7	178.4	-129	0	0	112.2
489	S	29.2	Very low	32.1	Very low	97 Å²	97	161.1 Å²	161.1	68%	0.678	83%	0.827	S	S	*	*			trans	-121.5	149.4	-174.5	61.3	0	0	0	0	112.4
490	K	30.5	Very low	32.2	Very low	198 Å²	198	162.1 Å²	162.1	86%	0.861	82%	0.824	S	S	*	*			trans	-169.4	148.8	144	-105.8	142.9	-166.7	160.6	0	113.8
491	T	32.3	Very low	32.4	Very low	138 Å²	138	158.9 Å²	158.9	85%	0.847	82%	0.818	S	S	*	*			trans	-83.8	149.5	171.1	50.1	0	0	0	0	112
492	S	31.7	Very low	32.7	Very low	122 Å²	122	161.6 Å²	161.6	85%	0.853	82%	0.818	S	S	*	*			trans	-149.6	155.6	142.8	62.4	0	0	0	0	110.9
493	K	37.4	Very low	32.8	Very low	194 Å²	194	159.6 Å²	159.6	84%	0.843	82%	0.817	S	S	*	*			trans	-118.3	159	175.4	-76.9	-179.1	175.6	176.5	0	108.9
494	S	34.8	Very low	33.1	Very low	108 Å²	108	163.1 Å²	163.1	76%	0.755	83%	0.827	S	S	*	*			trans	73.4	161.9	155.2	90.7	0	0	0	0	115.4
495	K	36	Very low	33.4	Very low	181 Å²	181	160.8 Å²	160.8	79%	0.787	83%	0.826	S	S	*	*			cis	-159.8	158.4	-3.3	-137.7	165.5	-172.8	177.1	0	108.8
496	K	40.5	Very low	33.8	Very low	186 Å²	186	166.2 Å²	166.2	81%	0.809	84%	0.838	S	S	*	*			trans	36.2	125.2	153.5	-77.9	-170.7	173.4	-164.2	0	119.1
497	K	45.8	Very low	34.3	Very low	276 Å²	276	163.9 Å²	163.9	100%	1.2	84%	0.839	S	S	*	*				-127.2	0	92.6	-125.3	177.6	-177.9	-179.4	0	109.8

Retrieved 497 of 497 residues in 106 ms (Link to these results)

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