A0A3Q0KR36_SCHMA Loading...

Putative plexin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,321 aa.

						>A0A3Q0KR36_SCHMA|A0A3Q0KR36
MILLLNNYHNSLLTSSLLLLSLVLLNNLFIQCDLLLNDEAHPHNNNRRDQDMIINNNNKELFQHVDKSTNMENHAYQRLRADKYRSKSITNESTNQTGFLSKTTTEINHDKSLPVTLIKNNNVSDYKLPITNIVPNKSSLYKYSLNQDVSNKKLINNKKLSSSKYLSSWAFSLPSTQIKSTTKIVENWPLSDHRIEFIEDLIQKNIGIKFRDDDGNNNNFSQMIIIPKTSSIYLVKNRGTLLKLDMRTFEQHDKYTLPTSLKSVSECNNSWSCHSMKEISLLAKMPDERMIWICYVTHHSYENRPNLLAESGCMVPTVENLAIPLIQWENPHFNSLYPDKPPSVLNAADGFTYISAFTLEYLRIFRAYMPDWNGNFNWTGALVTDKNPTFIAEPAQILLTFETSDEIYFVLREQPNSQMSKCEINVGSSIDPLSTVEKLKRLHQPYCLTSIARLVRVCKGDPGGLPHISSNRFATFAKADLICPATNENGGYFSYTHISTAYWDNNTQLLYATFTTEKSAPVGSALCIYSLNELKASFNGPLVRTNEKQNDLKSSPVPNSFSNICSRFNSRNMTEEEVTVGRRLSLRFPYRYLPVKPLHGHALLSQTGDNWVHLQAYNLPSLTNYYQGDEQIKTSIIWIGTTKHLIQFVVYTYNDVTSPTGEKYLTDNQYKATPIICKLKEILLGRQIEAIILQLPPDRLDLDANRQLEIHGDTIWNKMNLSKQIGDVSVESVRTSQVNRLYREEIIGKVKKEEIRRIEISASYLHIMTNKQLFRLPLTRCSEYQTFDDCLNSKDPHCGWNWSEGRCSSGYLFESTVQINRLNTFSPSIDHRQRSNHQCPTKSFTFDKDKENSWTKWYDCNWITSHQIGDPVPIAIHDQQSDDVNENVGDKISTKLLGSCLCRLCISQVHCVLGIQQVKNCTRFDQNWLPWSIWSDCDPTTNIQIRKRQCRSNAVCSGSSIERRSCLDDDSWFKKSNVIPKSASYYKSRINYTTQAEGYTLTHLILVVICGLLTGSLITVILFWSCRCHRWSYDEDDIAKLTNKNHIKTISTHCKSRLPYESQQTCLTTTSEPLSKHSWSLIDEKEPIWCNKSDIIAQASTDTRYEYLPPTHITPANTRFNRSVSRKPTKIRHLSTPYHDISTSVYLLSNTPSPTSVTSNPSTTSTLLKDKFTFDSFAEQNSNVLGDCKTNLINITPDNRNDNNNENLGNLYLTGYFYAPIEPLHNQTITPTKTSLPTTRINVELPEHHDYQTRQTPTISSHYNQINTGFIIPKSILVQPALSSFRENEHLNNSIINNTMITTKCIDGETFTITENPTQLS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	41.2	Very low	197 Å²	197	156.4 Å²	156.4	97%	0.97	80%	0.798	S	S	*	*				0	-88.9	0	-79.8	-56.9	-176.8	0	0	111.1	L3 L4	M1-L3 PolarHBondContact O-N 2.64Å; M1-L4 PolarHBondContact O-N 3.37Å
2	I	36.4	Very low	41.5	Very low	160 Å²	160	152.3 Å²	152.3	82%	0.821	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-66.4	-40	-176.2	-66.1	174	0	0	0	112.8	L4	I2-L4 PolarHBondContact O-N 3.32Å
3	L	38.9	Very low	41.7	Very low	176 Å²	176	149.7 Å²	149.7	92%	0.921	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-74.6	3.4	-179	-79.5	160.7	0	0	0	116	M1	M1-L3 PolarHBondContact O-N 2.64Å
4	L	43.5	Very low	42.2	Very low	148 Å²	148	144.9 Å²	144.9	78%	0.775	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-103.6	3.3	-177.7	-78.2	169.6	0	0	0	114.4	M1 I2	M1-L4 PolarHBondContact O-N 3.37Å; I2-L4 PolarHBondContact O-N 3.32Å
5	L	45.7	Very low	42.8	Very low	136 Å²	136	138.9 Å²	138.9	71%	0.712	72%	0.723	S	S	*	*	S	Bend	trans	-103.9	-7.3	-169.9	-80.4	157.6	0	0	0	115.6
6	N	43.4	Very low	43.4	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	3	-167.6	-109	19.4	0	0	0	116.8
7	N	42.1	Very low	43.8	Very low	159 Å²	159	132.1 Å²	132.1	85%	0.85	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	8.3	-174.8	-105	-7.7	0	0	0	115.1	H9	N7-H9 PolarHBondContact O-N 3.2Å
8	Y	38.8	Very low	44.2	Very low	181 Å²	181	130.7 Å²	130.7	71%	0.71	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-82.1	-10.6	-168.4	-123.7	-93.8	0	0	0	115.8	L12	Y8-L12 HydrophobicContact CD1-CD1 4.38Å
9	H	42.8	Very low	44.7	Very low	172 Å²	172	129.8 Å²	129.8	80%	0.796	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-86.7	-15.1	-166.3	-112.8	-73.4	0	0	0	116.7	N7	N7-H9 PolarHBondContact O-N 3.2Å
10	N	41.3	Very low	45	Very low	150 Å²	150	129 Å²	129	80%	0.802	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-104.2	2.9	-179.1	-81.8	-15.5	0	0	0	114.8
11	S	44.5	Very low	45.4	Very low	78 Å²	78	125.3 Å²	125.3	55%	0.545	66%	0.662	S	S	.	*	S	Bend	trans	-95.8	-12.9	178.5	-164.1	0	0	0	0	113.9	T14 S15	S11-T14 PolarHBondContact O-OG1 2.77Å; S11-S15 PolarHBondContact O-OG 3.15Å
12	L	44.9	Very low	46.2	Very low	107 Å²	107	120.2 Å²	120.2	56%	0.56	64%	0.638	S	S	*	*	H	α-helix	trans	-95	-20.8	-175.6	-82.6	149.2	0	0	0	114.3	Y8 S15 S16	Y8-L12 HydrophobicContact CD1-CD1 4.38Å; L12-S15 WeakPolarHBondContact CA-OG 3.36Å; L12-S15 PolarHBondContact O-OG 3.41Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 2.03Å; L12-S16 PolarHBondContact O-OG 2.95Å
13	L	44.1	Very low	47.1	Very low	119 Å²	119	116.8 Å²	116.8	62%	0.623	63%	0.625	S	S	*	*	H	α-helix	trans	-77.8	-35.8	168.3	-102.2	73	0	0	0	112.1	S16 L17	L13-S16 WeakPolarHBondContact CA-OG 3.34Å; L13-S16 PolarHBondContact O-OG 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 VanDerWaalsContact O-CD1 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 PolarHBondContact O-N 2.89Å
14	T	48.3	Very low	47.6	Very low	82 Å²	82	114.3 Å²	114.3	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-69.4	-39.1	178.6	47.7	0	0	0	0	112.1	S11 L18	S11-T14 PolarHBondContact O-OG1 2.77Å; T14-L18 WeakPolarHBondContact O-CB 3.44Å; T14-L18 VanDerWaalsContact O-CD1 3.32Å; T14-L18 WeakPolarHBondContact O-CD1 3.41Å; T14-L18 PolarHBondContact O-N 3.14Å
15	S	51.4	Low	47.8	Very low	55 Å²	55	113.2 Å²	113.2	39%	0.385	61%	0.606	S	S	.	*	H	α-helix	trans	-70.4	-36.4	174.5	46.7	0	0	0	0	113.3	S11 L12 L18 L19	S11-S15 PolarHBondContact O-OG 3.15Å; L12-S15 WeakPolarHBondContact CA-OG 3.36Å; L12-S15 PolarHBondContact O-OG 3.41Å; S15-L18 PolarHBondContact O-N 2.78Å; S15-L19 PolarHBondContact O-N 3.33Å
16	S	52.3	Low	47.8	Very low	52 Å²	52	112 Å²	112	36%	0.364	60%	0.6	S	S	.	*	H	α-helix	trans	-75.5	-34.7	175.8	53.1	0	0	0	0	113.5	L12 L13 L19 L20	L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 2.03Å; L12-S16 PolarHBondContact O-OG 2.95Å; L13-S16 WeakPolarHBondContact CA-OG 3.34Å; L13-S16 PolarHBondContact O-OG 3.28Å; S16-L19 PolarHBondContact O-N 3.42Å; S16-L20 PolarHBondContact O-N 3.2Å
17	L	50.3	Low	47.7	Very low	111 Å²	111	110.1 Å²	110.1	58%	0.581	59%	0.59	S	S	*	*	H	α-helix	trans	-74.6	-25.6	168.9	-87.2	82.4	0	0	0	113.1	L13 S21	L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 VanDerWaalsContact O-CD1 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 PolarHBondContact O-N 2.89Å; L17-S21 WeakPolarHBondContact O-CB 3.31Å; L17-S21 PolarHBondContact O-N 2.92Å; L17-S21 PolarHBondContact O-OG 2.98Å
18	L	51.5	Low	47.5	Very low	107 Å²	107	109.7 Å²	109.7	56%	0.56	59%	0.587	S	S	*	*	H	α-helix	trans	-69.6	-41	166.3	-103.2	76.2	0	0	0	111.3	T14 S15 S21 L22	T14-L18 WeakPolarHBondContact O-CB 3.44Å; T14-L18 VanDerWaalsContact O-CD1 3.32Å; T14-L18 WeakPolarHBondContact O-CD1 3.41Å; T14-L18 PolarHBondContact O-N 3.14Å; S15-L18 PolarHBondContact O-N 2.78Å; L18-S21 WeakPolarHBondContact CA-OG 3.18Å; L18-S21 PolarHBondContact O-N 2.94Å; L18-S21 PolarHBondContact O-OG 2.56Å; L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CD1 3.39Å; L18-L22 WeakPolarHBondContact O-CG 3.27Å; L18-L22 PolarHBondContact O-N 2.92Å
19	L	52.6	Low	47.3	Very low	114 Å²	114	110.8 Å²	110.8	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-66.9	-41.7	175.1	-103.7	71.1	0	0	0	112.2	S15 S16 L22 V23	S15-L19 PolarHBondContact O-N 3.33Å; S16-L19 PolarHBondContact O-N 3.42Å; L19-L22 PolarHBondContact O-N 3.36Å; L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 VanDerWaalsContact O-CG2 3.22Å; L19-V23 WeakPolarHBondContact O-CG2 3.28Å; L19-V23 PolarHBondContact O-N 3.25Å
20	L	51.9	Low	47	Very low	113 Å²	113	108.6 Å²	108.6	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-69.6	-34.6	175.4	-97	72	0	0	0	112.6	S16 V23 L24	S16-L20 PolarHBondContact O-N 3.2Å; L20-V23 PolarHBondContact O-N 3.13Å; L20-L24 WeakPolarHBondContact O-CB 2.98Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.12Å
21	S	52.3	Low	46.6	Very low	52 Å²	52	109 Å²	109	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-72.8	-33.6	173.2	62.5	0	0	0	0	112.3	L17 L18 L24 L25	L17-S21 WeakPolarHBondContact O-CB 3.31Å; L17-S21 PolarHBondContact O-N 2.92Å; L17-S21 PolarHBondContact O-OG 2.98Å; L18-S21 WeakPolarHBondContact CA-OG 3.18Å; L18-S21 PolarHBondContact O-N 2.94Å; L18-S21 PolarHBondContact O-OG 2.56Å; S21-L24 PolarHBondContact O-N 2.83Å; S21-L25 WeakPolarHBondContact O-CB 3Å; S21-L25 WeakPolarHBondContact O-CD1 3.39Å; S21-L25 PolarHBondContact O-N 2.93Å
22	L	54.1	Low	46	Very low	90 Å²	90	110.9 Å²	110.9	47%	0.471	60%	0.597	S	S	.	*	H	α-helix	trans	-67	-36.2	169.3	-78.9	161.4	0	0	0	112.3	L18 L19 L24 N26	L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CD1 3.39Å; L18-L22 WeakPolarHBondContact O-CG 3.27Å; L18-L22 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.36Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-N26 WeakPolarHBondContact O-CB 3.42Å; L22-N26 PolarHBondContact O-N 2.91Å; L22-N26 PolarHBondContact O-ND2 3.49Å
23	V	54.6	Low	45.3	Very low	88 Å²	88	111.6 Å²	111.6	53%	0.533	60%	0.602	S	S	.	*	H	α-helix	trans	-73.1	-25.4	174	169.2	0	0	0	0	112.2	L19 L20 N27	L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 VanDerWaalsContact O-CG2 3.22Å; L19-V23 WeakPolarHBondContact O-CG2 3.28Å; L19-V23 PolarHBondContact O-N 3.25Å; L20-V23 PolarHBondContact O-N 3.13Å; V23-N27 PolarHBondContact O-ND2 2.81Å
24	L	48.6	Very low	44.8	Very low	123 Å²	123	111.4 Å²	111.4	64%	0.644	60%	0.601	S	S	*	*	H	α-helix	trans	-89.4	-29.3	174.9	-73.6	165.2	0	0	0	113.6	L20 S21 L22	L20-L24 WeakPolarHBondContact O-CB 2.98Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.12Å; S21-L24 PolarHBondContact O-N 2.83Å; L22-L24 VanDerWaalsContact C-N 3.35Å
25	L	47.9	Very low	43.9	Very low	126 Å²	126	114.3 Å²	114.3	66%	0.66	61%	0.612	S	S	*	*	H	α-helix	trans	-77.3	-36.3	172.1	-90.1	75.9	0	0	0	112	S21 N27 L28	S21-L25 WeakPolarHBondContact O-CB 3Å; S21-L25 WeakPolarHBondContact O-CD1 3.39Å; S21-L25 PolarHBondContact O-N 2.93Å; L25-N27 PolarHBondContact O-N 2.8Å; L25-N27 VanDerWaalsContact O-N 3.14Å; L25-L28 PolarHBondContact O-N 3.06Å
26	N	45.6	Very low	42.8	Very low	111 Å²	111	119.2 Å²	119.2	59%	0.594	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-3.8	174.9	-71.9	-19.8	0	0	0	113.8	L22	L22-N26 WeakPolarHBondContact O-CB 3.42Å; L22-N26 PolarHBondContact O-N 2.91Å; L22-N26 PolarHBondContact O-ND2 3.49Å
27	N	41.1	Very low	41.8	Very low	122 Å²	122	123.1 Å²	123.1	65%	0.652	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	17.1	173.3	-79.3	-67.6	0	0	0	113.3	V23 L25	V23-N27 PolarHBondContact O-ND2 2.81Å; L25-N27 PolarHBondContact O-N 2.8Å; L25-N27 VanDerWaalsContact O-N 3.14Å
28	L	38	Very low	40.9	Very low	150 Å²	150	125.8 Å²	125.8	79%	0.785	67%	0.665	S	S	*	*	S	Bend	trans	-129.6	15.1	175.3	-144.1	76.8	0	0	0	114.5	L25	L25-L28 PolarHBondContact O-N 3.06Å
29	F	36	Very low	39.9	Very low	205 Å²	205	129.5 Å²	129.5	90%	0.899	68%	0.68	S	S	*	*	S	Bend	trans	-140.4	45.6	175.4	-106.9	-79.7	0	0	0	112.7
30	I	36.8	Very low	38.9	Very low	125 Å²	125	127.9 Å²	127.9	64%	0.641	68%	0.683	S	S	*	*			trans	-133.8	133.2	168.5	-63.5	-179.9	0	0	0	107.6
31	Q	33	Very low	38	Very low	158 Å²	158	130.8 Å²	130.8	74%	0.738	69%	0.693	S	S	*	*			trans	60.5	113.4	-173.2	-64.6	159.6	-97.1	0	0	113
32	C	30.6	Very low	37	Very low	118 Å²	118	133.7 Å²	133.7	80%	0.797	71%	0.711	S	S	*	*	S	Bend	cis	-123.5	169.2	29.1	-68.1	0	0	0	0	112
33	D	29.8	Very low	36.1	Very low	122 Å²	122	137.9 Å²	137.9	65%	0.652	73%	0.728	S	S	*	*			cis	-102.8	121.8	9.9	-74.3	-50.2	0	0	0	114.4
34	L	33.2	Very low	35.1	Very low	115 Å²	115	139.8 Å²	139.8	60%	0.602	74%	0.735	S	S	*	*			trans	-114.9	81.9	160.6	-148.2	174.2	0	0	0	105.9	N37	L34-N37 HydrophobicContact CD2-CB 4.29Å
35	L	30.6	Very low	34.3	Very low	143 Å²	143	139.6 Å²	139.6	75%	0.749	73%	0.734	S	S	*	*			trans	-118.2	56.1	-171.1	-116.5	175.9	0	0	0	112.1
36	L	27.7	Very low	33.6	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	74%	0.738	S	S	*	*	S	Bend	trans	-168.3	65.2	154.2	-108.4	166.8	0	0	0	110.2
37	N	30.9	Very low	32.9	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	75%	0.746	S	S	*	*			trans	-139.2	101.1	158.9	-104.3	-9.1	0	0	0	105.6	L34	L34-N37 HydrophobicContact CD2-CB 4.29Å
38	D	32.1	Very low	32.5	Very low	166 Å²	166	147.3 Å²	147.3	89%	0.888	75%	0.748	S	S	*	*			trans	-68.3	137.6	166.2	-85.1	-46.7	0	0	0	109
39	E	30.4	Very low	32.3	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	74%	0.737	S	S	*	*			trans	-79.5	-169.9	176.9	-61	-167.3	117.1	0	0	112.1
40	A	32.1	Very low	32.1	Very low	81 Å²	81	142.7 Å²	142.7	67%	0.669	73%	0.728	S	S	*	*			trans	84.5	133.3	172.6	0	0	0	0	0	117.6
41	H	32	Very low	31.9	Very low	173 Å²	173	141.8 Å²	141.8	80%	0.801	73%	0.725	S	S	*	*			cis	-159.3	146.6	-18.4	-101.7	-42.2	0	0	0	109.3
42	P	32.3	Very low	31.7	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	73%	0.731	S	S	*	*			trans	-100	103.6	174.4	35.1	-29.7	0	0	0	113.3
43	H	34.2	Very low	31.7	Very low	177 Å²	177	143.1 Å²	143.1	82%	0.819	72%	0.724	S	S	*	*			trans	-150.6	116.6	158.1	-91.6	-89.5	0	0	0	107.2
44	N	33.4	Very low	31.9	Very low	129 Å²	129	145.6 Å²	145.6	69%	0.69	74%	0.736	S	S	*	*				81.8	126	53.7	-164.1	15.4	0	0	0	113.7
45	N	33.5	Very low	31.9	Very low	118 Å²	118	146 Å²	146	63%	0.631	74%	0.739	S	S	*	*			trans	72.1	100.5	169.5	-71.4	-42.2	0	0	0	121.5
46	N	31.7	Very low	32.1	Very low	139 Å²	139	145.6 Å²	145.6	74%	0.743	74%	0.737	S	S	*	*				75.9	148.8	119.9	-71	-41.7	0	0	0	123.1
47	R	32	Very low	32.4	Very low	199 Å²	199	144.2 Å²	144.2	75%	0.751	73%	0.73	S	S	*	*			trans	73.8	115	163.2	-74.8	-176.3	-179.9	-179.3	0.6	114.9
48	R	32.2	Very low	32.5	Very low	184 Å²	184	144.6 Å²	144.6	69%	0.694	73%	0.732	S	S	*	*				85	147.1	85	-80.7	-159.8	-140	168	-9.2	111.1
49	D	33.4	Very low	32.6	Very low	105 Å²	105	144.2 Å²	144.2	56%	0.561	72%	0.723	S	S	*	*			cis	-154.6	155.8	8.2	-106.2	-27.9	0	0	0	109.6
50	Q	32.8	Very low	32.6	Very low	152 Å²	152	142.6 Å²	142.6	71%	0.71	72%	0.715	S	S	*	*			trans	62.2	155.4	143.7	-65	178.3	-84.9	0	0	120.2
51	D	31.6	Very low	32.4	Very low	106 Å²	106	146 Å²	146	57%	0.567	72%	0.721	S	S	*	*			cis	-158	-174	-11.7	-117.1	-31	0	0	0	111.7
52	M	30.4	Very low	32.1	Very low	178 Å²	178	146.6 Å²	146.6	88%	0.877	72%	0.722	S	S	*	*			trans	77.2	97.6	-178.7	-57.8	-171.3	-71.8	0	0	114.2
53	I	29.6	Very low	31.9	Very low	126 Å²	126	150.4 Å²	150.4	65%	0.646	73%	0.73	S	S	*	*			cis	74.5	96.5	35.4	-45.4	167.8	0	0	0	114.4
54	I	34.3	Very low	31.7	Very low	174 Å²	174	150.6 Å²	150.6	89%	0.892	73%	0.731	S	S	*	*			trans	-135.5	136.5	137.7	-65.4	-171.1	0	0	0	107.9
55	N	33.1	Very low	31.4	Very low	125 Å²	125	151.1 Å²	151.1	67%	0.668	74%	0.738	S	S	*	*			trans	-88.5	146.5	-175.9	-70	-39.3	0	0	0	113.4
56	N	35.3	Very low	31.2	Very low	134 Å²	134	152 Å²	152	72%	0.717	74%	0.743	S	S	*	*				170.2	130.1	96.3	-99.5	-37.4	0	0	0	115.3
57	N	34.1	Very low	31	Very low	128 Å²	128	155.1 Å²	155.1	68%	0.684	75%	0.75	S	S	*	*			trans	38	100.7	133.8	-53.1	-15.5	0	0	0	120.6
58	N	33.2	Very low	30.9	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	75%	0.749	S	S	*	*				174.3	130.2	105	-87	-38	0	0	0	109.2
59	K	32.6	Very low	30.8	Very low	159 Å²	159	147.2 Å²	147.2	69%	0.691	75%	0.749	S	S	*	*				53	125	83.6	-74.7	-161.6	161.8	-128.2	0	114.2
60	E	30.8	Very low	30.7	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	76%	0.755	S	S	*	*			cis	-165.8	153.8	-9.5	-132.2	155.8	-174.5	0	0	108.2
61	L	27.9	Very low	30.6	Very low	152 Å²	152	149.3 Å²	149.3	80%	0.796	76%	0.761	S	S	*	*			trans	72.3	119.7	157.7	-154.8	67	0	0	0	120.4
62	F	26.8	Very low	30.6	Very low	187 Å²	187	152.7 Å²	152.7	82%	0.82	77%	0.774	S	S	*	*			trans	46.7	86.8	161.8	-70.3	-58.8	0	0	0	121.4
63	Q	28	Very low	30.8	Very low	194 Å²	194	148.8 Å²	148.8	91%	0.907	76%	0.757	S	S	*	*			trans	-164.1	88.3	139.2	-112.6	170	22.5	0	0	110.4
64	H	29.1	Very low	31	Very low	181 Å²	181	148.2 Å²	148.2	84%	0.838	75%	0.751	S	S	*	*			trans	-152.5	51.5	-168.3	-130.6	-58.2	0	0	0	117.4
65	V	27.5	Very low	31	Very low	139 Å²	139	143 Å²	143	84%	0.842	73%	0.734	S	S	*	*			trans	-136.6	63.9	155.7	-167.9	0	0	0	0	109.6
66	D	28.1	Very low	31.1	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	73%	0.731	S	S	*	*			trans	-146.5	61.7	178.1	-141.9	-14.2	0	0	0	111.7
67	K	29.1	Very low	31.1	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	73%	0.725	S	S	*	*	S	Bend	trans	-162.2	32.7	173.7	-119.1	165.7	-170.9	175	0	115.3
68	S	29.4	Very low	31.2	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	72%	0.723	S	S	*	*			trans	-126.8	22.9	174.8	65.5	0	0	0	0	113.7
69	T	30.3	Very low	31.4	Very low	112 Å²	112	146 Å²	146	69%	0.687	72%	0.722	S	S	*	*	S	Bend	trans	-107.4	37.8	-175.7	40.3	0	0	0	0	112.5
70	N	31.4	Very low	31.5	Very low	128 Å²	128	146.1 Å²	146.1	68%	0.684	72%	0.718	S	S	*	*	S	Bend	trans	-146.6	11.6	-174.2	-121.3	-15.7	0	0	0	117.2
71	M	30.1	Very low	31.7	Very low	172 Å²	172	141 Å²	141	85%	0.847	70%	0.702	S	S	*	*	S	Bend	trans	-95.3	-28.4	177.6	-92	-178.2	65.3	0	0	115.3	N73 H74	M71-N73 PolarHBondContact O-N 2.69Å; M71-H74 PolarHBondContact O-N 2.94Å
72	E	32.7	Very low	32.1	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-21.4	-178.8	-66.1	-169.6	119.8	0	0	114	H74 A75	E72-H74 PolarHBondContact O-N 2.93Å; E72-H74 VanDerWaalsContact O-N 3.15Å; E72-A75 PolarHBondContact O-N 3.39Å
73	N	34.2	Very low	32.6	Very low	97 Å²	97	140 Å²	140	52%	0.519	70%	0.697	S	S	.	*	H	α-helix	trans	-63.9	-18.1	174.7	-90.1	-38.7	0	0	0	113.5	M71 Q77	M71-N73 PolarHBondContact O-N 2.69Å; N73-Q77 PolarHBondContact O-N 3.33Å
74	H	32.9	Very low	32.8	Very low	113 Å²	113	141 Å²	141	52%	0.523	69%	0.693	S	S	.	*	H	α-helix	trans	-76	-20.4	-179.4	-107.1	-54.9	0	0	0	114.7	M71 E72 R78	M71-H74 PolarHBondContact O-N 2.94Å; E72-H74 PolarHBondContact O-N 2.93Å; E72-H74 VanDerWaalsContact O-N 3.15Å; H74-R78 WeakPolarHBondContact O-CG 3.38Å
75	A	35.5	Very low	32.8	Very low	64 Å²	64	143.3 Å²	143.3	53%	0.529	70%	0.695	S	S	.	*	H	α-helix	trans	-75.7	-47.3	171.4	0	0	0	0	0	111.1	E72 Q77 R78 L79	E72-A75 PolarHBondContact O-N 3.39Å; A75-Q77 PolarHBondContact O-N 2.87Å; A75-R78 PolarHBondContact O-N 3.46Å; A75-L79 PolarHBondContact O-N 3.11Å
76	Y	34.8	Very low	33	Very low	156 Å²	156	141.7 Å²	141.7	61%	0.612	69%	0.69	S	S	*	*	H	α-helix	trans	-72.5	-23.3	-174.7	-118.3	-87.6	0	0	0	114.4
77	Q	35.9	Very low	33.1	Very low	129 Å²	129	144.5 Å²	144.5	60%	0.603	70%	0.695	S	S	*	*	H	α-helix	trans	-80.4	-31.7	172.5	-72.1	-165.4	-1.5	0	0	113.6	N73 A75 R80 A81	N73-Q77 PolarHBondContact O-N 3.33Å; A75-Q77 PolarHBondContact O-N 2.87Å; Q77-R80 PolarHBondContact O-N 3.3Å; Q77-A81 PolarHBondContact O-N 3.29Å; Q77-A81 VanDerWaalsContact O-N 3.09Å
78	R	35.2	Very low	33.3	Very low	168 Å²	168	140.1 Å²	140.1	63%	0.634	69%	0.691	S	S	*	*	H	α-helix	trans	-63.8	-48.8	177.4	-74.8	176.6	-179.9	170.7	2.5	111.3	H74 A75 R80 A81 D82	H74-R78 WeakPolarHBondContact O-CG 3.38Å; A75-R78 PolarHBondContact O-N 3.46Å; R78-R80 PolarHBondContact O-N 2.91Å; R78-A81 PolarHBondContact O-N 3.16Å; R78-D82 PolarHBondContact O-N 3.38Å
79	L	36.3	Very low	33.4	Very low	142 Å²	142	142.7 Å²	142.7	74%	0.743	69%	0.694	S	S	*	*	H	α-helix	trans	-62.4	-7.4	175.4	-67.6	173.1	0	0	0	115	A75	A75-L79 PolarHBondContact O-N 3.11Å
80	R	35.8	Very low	33.5	Very low	161 Å²	161	143 Å²	143	61%	0.608	70%	0.696	S	S	*	*	H	α-helix	trans	-105.8	-18.5	171.4	-120.8	174.5	-176.8	159.6	0.2	113.8	Q77 R78	Q77-R80 PolarHBondContact O-N 3.3Å; R78-R80 PolarHBondContact O-N 2.91Å
81	A	35.9	Very low	33.4	Very low	43 Å²	43	143.9 Å²	143.9	36%	0.355	70%	0.701	S	S	.	*	H	α-helix	trans	-77.6	-40.7	175.8	0	0	0	0	0	112.2	Q77 R78 K83 Y84 R85	Q77-A81 PolarHBondContact O-N 3.29Å; Q77-A81 VanDerWaalsContact O-N 3.09Å; R78-A81 PolarHBondContact O-N 3.16Å; A81-K83 PolarHBondContact O-N 2.84Å; A81-Y84 PolarHBondContact O-N 2.99Å; A81-Y84 VanDerWaalsContact O-N 3.07Å; A81-R85 PolarHBondContact O-N 3.16Å
82	D	35.1	Very low	33.5	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-0.6	-171.9	-58.4	-26.4	0	0	0	114.4	R78	R78-D82 PolarHBondContact O-N 3.38Å
83	K	36.9	Very low	33.5	Very low	185 Å²	185	140.6 Å²	140.6	80%	0.804	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	2.7	175.3	-146.4	167.6	-172.6	172.3	0	114.5	A81	A81-K83 PolarHBondContact O-N 2.84Å
84	Y	32.3	Very low	33.3	Very low	213 Å²	213	141.8 Å²	141.8	84%	0.835	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-2.4	-178.6	-99.8	-78.8	0	0	0	116.4	A81	A81-Y84 PolarHBondContact O-N 2.99Å; A81-Y84 VanDerWaalsContact O-N 3.07Å
85	R	30.1	Very low	33.1	Very low	230 Å²	230	143.2 Å²	143.2	87%	0.868	72%	0.717	S	S	*	*			trans	-103.1	58.3	-174.9	-157.5	179	-173.4	176.4	1.4	114.7	A81	A81-R85 PolarHBondContact O-N 3.16Å
86	S	30.7	Very low	32.9	Very low	106 Å²	106	148.7 Å²	148.7	74%	0.741	73%	0.732	S	S	*	*	S	Bend	trans	-147.1	53.1	173.8	68.7	0	0	0	0	113.8
87	K	30.3	Very low	32.6	Very low	196 Å²	196	148 Å²	148	85%	0.852	74%	0.743	S	S	*	*	S	Bend	trans	-169.6	140.1	161.3	-107.2	148.1	-173	172.6	0	110.6
88	S	33.1	Very low	32.3	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	75%	0.749	S	S	*	*			trans	63.7	142.1	-164.6	79.2	0	0	0	0	113.2
89	I	33.1	Very low	32	Very low	158 Å²	158	146.3 Å²	146.3	81%	0.81	76%	0.759	S	S	*	*			cis	-126	145.1	5.5	-62.9	167.7	0	0	0	108.7
90	T	31	Very low	31.6	Very low	118 Å²	118	145.9 Å²	145.9	72%	0.724	76%	0.757	S	S	*	*			trans	-117.9	162	168.8	44.1	0	0	0	0	110.9
91	N	29.2	Very low	31.3	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	76%	0.756	S	S	*	*			trans	74.3	107.8	177.7	-51.4	-3.9	0	0	0	116.2
92	E	32.9	Very low	31.1	Very low	185 Å²	185	149 Å²	149	86%	0.864	78%	0.778	S	S	*	*				-170.3	152.1	100.8	-99.9	178.5	171	0	0	112.8
93	S	32.3	Very low	30.8	Very low	96 Å²	96	149 Å²	149	67%	0.671	78%	0.783	S	S	*	*			trans	20.9	108.2	163.8	55.4	0	0	0	0	120.4
94	T	29.7	Very low	30.4	Very low	122 Å²	122	146 Å²	146	75%	0.748	78%	0.78	S	S	*	*				78.3	134.3	71.4	61.2	0	0	0	0	118.4
95	N	29.6	Very low	30.4	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	78%	0.78	S	S	*	*			trans	97.7	139.5	151	-62.6	-23.7	0	0	0	122.3
96	Q	31.2	Very low	30.3	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	78%	0.776	S	S	*	*			trans	67.4	116.7	163.9	-65.7	167.6	3.9	0	0	117.9
97	T	27.1	Very low	30.4	Very low	140 Å²	140	141 Å²	141	86%	0.859	77%	0.774	S	S	*	*			cis	101.8	117	18	70	0	0	0	0	116.3
98	G	30.7	Very low	30.4	Very low	71 Å²	71	138 Å²	138	73%	0.732	77%	0.768	S	S	*	*			trans	113.9	147.4	168.9	0	0	0	0	0	113.9
99	F	28.5	Very low	30.3	Very low	191 Å²	191	140.3 Å²	140.3	84%	0.838	77%	0.766	S	S	*	*			cis	-158.3	163.6	-3.1	-146.4	-108.5	0	0	0	112.2
100	L	28.6	Very low	30.2	Very low	134 Å²	134	138 Å²	138	70%	0.702	76%	0.756	S	S	*	*			trans	-34.8	170.9	174.1	-83.4	72	0	0	0	119.7
101	S	28.9	Very low	30.3	Very low	84 Å²	84	140.5 Å²	140.5	59%	0.587	76%	0.756	S	S	*	*			cis	174.3	-171	-13.8	60.2	0	0	0	0	111.5
102	K	31.9	Very low	30.4	Very low	186 Å²	186	138.1 Å²	138.1	81%	0.809	75%	0.751	S	S	*	*			trans	83.2	149.8	156.4	-76.3	172.9	-177.3	-177.3	0	120.7
103	T	29.8	Very low	30.2	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	75%	0.753	S	S	*	*			cis	-164.3	172.7	-33.8	12.5	0	0	0	0	111.4
104	T	27.9	Very low	30.4	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	75%	0.753	S	S	*	*			trans	-92.8	158.6	-171.8	44.6	0	0	0	0	118.1
105	T	32.2	Very low	30.4	Very low	134 Å²	134	138.8 Å²	138.8	82%	0.822	76%	0.758	S	S	*	*			trans	176.4	168.7	143.3	40	0	0	0	0	112.1
106	E	28.1	Very low	30.4	Very low	168 Å²	168	137.5 Å²	137.5	79%	0.785	76%	0.756	S	S	*	*			cis	-177.2	179.2	-42.2	-159.2	151.4	-68	0	0	111.6
107	I	32	Very low	30.3	Very low	140 Å²	140	136 Å²	136	72%	0.718	75%	0.752	S	S	*	*			trans	83.6	93.2	158.8	-50.9	176.5	0	0	0	121.8
108	N	29.9	Very low	30.3	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	74%	0.744	S	S	*	*				56.8	127.7	118.3	-62.6	-6.3	0	0	0	128.4
109	H	32.2	Very low	30.3	Very low	160 Å²	160	141.8 Å²	141.8	74%	0.741	75%	0.751	S	S	*	*				82	120.7	127.1	-81.5	-63.5	0	0	0	126.8
110	D	31	Very low	30.4	Very low	111 Å²	111	138.7 Å²	138.7	59%	0.594	74%	0.743	S	S	*	*				90.9	135.5	125.8	-88.4	31.3	0	0	0	127.1
111	K	32.7	Very low	30.7	Very low	169 Å²	169	138.1 Å²	138.1	74%	0.735	74%	0.741	S	S	*	*			trans	90.5	91.9	139.2	-76.1	166.8	-178.7	117	0	124.7
112	S	31.6	Very low	30.8	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	75%	0.747	S	S	*	*				82.2	140.3	106.7	73.4	0	0	0	0	126.1
113	L	28.9	Very low	30.8	Very low	170 Å²	170	137.9 Å²	137.9	89%	0.89	75%	0.746	S	S	*	*			trans	93.7	145.9	147.5	-74.7	151.7	0	0	0	122
114	P	36.6	Very low	30.8	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	74%	0.735	S	S	*	*			trans	-126.8	178.8	-168.4	46.1	-33.2	0	0	0	116.7
115	V	29.9	Very low	30.9	Very low	141 Å²	141	135.7 Å²	135.7	86%	0.855	73%	0.731	S	S	*	*			trans	-143.3	162.4	163.7	175.2	0	0	0	0	111.2
116	T	28.8	Very low	30.7	Very low	117 Å²	117	138.8 Å²	138.8	72%	0.718	73%	0.729	S	S	*	*			trans	-125.3	-160.1	-166.9	57.1	0	0	0	0	114.8
117	L	28.9	Very low	30.9	Very low	146 Å²	146	139.9 Å²	139.9	76%	0.764	73%	0.732	S	S	*	*			trans	90.5	132.8	179.3	-65	109.4	0	0	0	116.6
118	I	27.6	Very low	30.5	Very low	134 Å²	134	141 Å²	141	69%	0.687	74%	0.738	S	S	*	*			cis	126.2	119.2	3.9	-79.1	163.9	0	0	0	110.3
119	K	31.1	Very low	30.7	Very low	199 Å²	199	139.3 Å²	139.3	87%	0.865	73%	0.734	S	S	*	*			trans	151.9	159.6	153.6	-89.2	165.9	-177.3	178.6	0	110.8
120	N	30.6	Very low	30.4	Very low	127 Å²	127	138.7 Å²	138.7	68%	0.679	74%	0.735	S	S	*	*			cis	-174.7	156.1	-49.1	-117.8	53	0	0	0	109.7
121	N	34.6	Very low	30.2	Very low	122 Å²	122	138.6 Å²	138.6	65%	0.652	74%	0.739	S	S	*	*			trans	81.2	117.2	151.3	-65.5	11.7	0	0	0	123.6
122	N	31.1	Very low	29.9	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	74%	0.739	S	S	*	*				89	128.6	119.3	-65.1	7.9	0	0	0	125.1
123	V	31.6	Very low	29.8	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	74%	0.741	S	S	*	*				75.5	140.9	129.9	165.8	0	0	0	0	120.1
124	S	28.7	Very low	29.7	Very low	84 Å²	84	137.4 Å²	137.4	59%	0.587	74%	0.736	S	S	*	*			cis	-169.8	179	-20.4	65.4	0	0	0	0	113.8
125	D	31.2	Very low	29.6	Very low	124 Å²	124	137.7 Å²	137.7	66%	0.663	74%	0.738	S	S	*	*			trans	68.6	105.5	144.3	-57.5	-35.1	0	0	0	126.1
126	Y	28	Very low	29.5	Very low	200 Å²	200	137 Å²	137	78%	0.784	73%	0.73	S	S	*	*				62.2	129.4	122.4	-71.8	-65	0	0	0	126.7
127	K	31	Very low	29.5	Very low	191 Å²	191	140 Å²	140	83%	0.83	73%	0.733	S	S	*	*				106.5	149.6	129.5	-84.4	169.7	-176.2	174.5	0	122.7
128	L	24.3	Very low	29.5	Very low	162 Å²	162	138.6 Å²	138.6	85%	0.848	74%	0.736	S	S	*	*			trans	-88.8	-179.5	-174.2	-95.3	74.2	0	0	0	112.8
129	P	33.7	Very low	29.7	Very low	100 Å²	100	137.3 Å²	137.3	65%	0.649	74%	0.738	S	S	*	*			cis	-143	-161.6	-27.1	37.6	-16.2	0	0	0	114.6
130	I	25.9	Very low	29.5	Very low	147 Å²	147	134.4 Å²	134.4	75%	0.754	73%	0.732	S	S	*	*			trans	85.6	122.5	152.4	-73.9	168.5	0	0	0	119.9
131	T	26.2	Very low	29.4	Very low	110 Å²	110	139.6 Å²	139.6	68%	0.675	74%	0.743	S	S	*	*			trans	28.6	118	161	60.3	0	0	0	0	121.8
132	N	26.5	Very low	28.9	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	75%	0.747	S	S	*	*				174.7	148.7	106.6	-91.9	-35	0	0	0	115.2
133	I	29.9	Very low	28.9	Very low	142 Å²	142	145.3 Å²	145.3	73%	0.728	75%	0.752	S	S	*	*			trans	40.2	106.3	137.1	-54.6	171.3	0	0	0	119.8
134	V	28.2	Very low	28.6	Very low	130 Å²	130	143 Å²	143	79%	0.788	74%	0.742	S	S	*	*				46.3	134	127	-177.7	0	0	0	0	120.2
135	P	34.5	Very low	28.6	Very low	111 Å²	111	146.4 Å²	146.4	72%	0.721	75%	0.752	S	S	*	*			cis	-140.8	-149.8	-31.7	40.2	-17.8	0	0	0	112.3
136	N	27.2	Very low	28.5	Very low	127 Å²	127	146.4 Å²	146.4	68%	0.679	75%	0.752	S	S	*	*			trans	101.9	127.8	140.5	-138.1	-2.3	0	0	0	121.9
137	K	28	Very low	28.5	Very low	179 Å²	179	145 Å²	145	78%	0.778	75%	0.753	S	S	*	*			trans	80.6	146.9	142.4	-99	166.3	-170.9	-179.4	0	124.9
138	S	29.8	Very low	28.4	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	75%	0.752	S	S	*	*			trans	83.8	140.3	167.5	84.8	0	0	0	0	115.8
139	S	30.9	Very low	28.8	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	75%	0.745	S	S	*	*			cis	-160.2	166.1	-1.1	93.7	0	0	0	0	109.5
140	L	27.6	Very low	28.5	Very low	139 Å²	139	140.4 Å²	140.4	73%	0.728	74%	0.744	S	S	*	*			cis	-170.8	139.7	-14.4	-130.1	175.9	0	0	0	108.9
141	Y	27.7	Very low	28.7	Very low	235 Å²	235	139.2 Å²	139.2	92%	0.922	74%	0.739	S	S	*	*			trans	-162.1	168.6	147.4	-108.4	-69.7	0	0	0	111.2
142	K	25.1	Very low	28.8	Very low	166 Å²	166	142.2 Å²	142.2	72%	0.722	74%	0.743	S	S	*	*			trans	-113.1	165.3	-151.8	-80.2	-176.7	174.9	178.8	0	117.2
143	Y	29.8	Very low	28.9	Very low	210 Å²	210	144.5 Å²	144.5	82%	0.824	75%	0.746	S	S	*	*			trans	115.7	141.2	148.9	-70.4	-74.8	0	0	0	116.3
144	S	26.9	Very low	28.9	Very low	84 Å²	84	144.7 Å²	144.7	59%	0.587	75%	0.748	S	S	*	*				-177.4	138.8	-69.5	56.3	0	0	0	0	111.7
145	L	27.6	Very low	28.9	Very low	154 Å²	154	145.3 Å²	145.3	81%	0.806	75%	0.745	S	S	*	*			trans	63.1	151	168.2	-77.9	73.6	0	0	0	115.3
146	N	30.3	Very low	28.7	Very low	125 Å²	125	146.3 Å²	146.3	67%	0.668	74%	0.744	S	S	*	*			cis	-134.7	149.5	-11.3	-85.7	-25.5	0	0	0	106.8
147	Q	26.9	Very low	28.7	Very low	171 Å²	171	147.4 Å²	147.4	80%	0.799	75%	0.75	S	S	*	*				57.7	95.8	65.4	-92.4	-171	-30.2	0	0	116.1
148	D	30.1	Very low	28.8	Very low	152 Å²	152	149 Å²	149	81%	0.813	76%	0.757	S	S	*	*				172.6	169.5	126	-93.2	-10.8	0	0	0	112
149	V	31.8	Very low	28.5	Very low	114 Å²	114	153 Å²	153	69%	0.691	76%	0.76	S	S	*	*				-161.5	119.9	-62.5	128.9	0	0	0	0	110.3
150	S	27.1	Very low	28.4	Very low	89 Å²	89	156.5 Å²	156.5	62%	0.622	77%	0.769	S	S	*	*			trans	68	158.9	154.1	80.9	0	0	0	0	123.3
151	N	29.7	Very low	28.3	Very low	122 Å²	122	154.8 Å²	154.8	65%	0.652	77%	0.769	S	S	*	*			trans	71.4	150	152.2	-64.7	-36.8	0	0	0	120.2
152	K	30	Very low	28.2	Very low	174 Å²	174	148.8 Å²	148.8	76%	0.757	76%	0.761	S	S	*	*			cis	-175.9	146.4	-36.8	-119.7	177.2	-159.7	143.2	0	109.6
153	K	27.4	Very low	28.3	Very low	186 Å²	186	146 Å²	146	81%	0.809	76%	0.763	S	S	*	*			trans	42.5	116	146.6	-79	-171	169.8	-172	0	121.4
154	L	29.5	Very low	28.3	Very low	147 Å²	147	145.3 Å²	145.3	77%	0.77	76%	0.764	S	S	*	*				170.7	119.6	114.8	-110.3	55.6	0	0	0	108
155	I	28.6	Very low	28.4	Very low	142 Å²	142	152.9 Å²	152.9	73%	0.728	78%	0.781	S	S	*	*				82.3	139.1	77.5	-72.6	177.8	0	0	0	115.4
156	N	30.6	Very low	28.5	Very low	133 Å²	133	152.9 Å²	152.9	71%	0.711	78%	0.781	S	S	*	*			trans	78.9	92.4	166	-76.5	-18.4	0	0	0	121.4
157	N	26.6	Very low	28.4	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	79%	0.787	S	S	*	*				40.1	109	110.3	-68	-23.7	0	0	0	119.4
158	K	30	Very low	28.5	Very low	212 Å²	212	148.6 Å²	148.6	92%	0.922	78%	0.78	S	S	*	*				-154.2	139.4	129.1	-114.1	170.7	-169.5	177.5	0	111.7
159	K	25.4	Very low	28.4	Very low	203 Å²	203	149 Å²	149	88%	0.883	77%	0.77	S	S	*	*			trans	-73.4	133.1	170.1	-70	174	175.1	175	0	109.5
160	L	28.6	Very low	28.2	Very low	178 Å²	178	146.8 Å²	146.8	93%	0.932	76%	0.764	S	S	*	*			trans	-151.1	147.6	140.6	-151.4	65.6	0	0	0	110.9
161	S	24.8	Very low	28.6	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	77%	0.771	S	S	*	*			trans	-97.1	139.2	177.1	176.3	0	0	0	0	110.3
162	S	26.2	Very low	28.6	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	78%	0.776	S	S	*	*				153.9	158	118.9	60.3	0	0	0	0	113.9
163	S	27.1	Very low	28.9	Very low	109 Å²	109	147 Å²	147	76%	0.762	77%	0.766	S	S	*	*			trans	54.6	86.5	149.7	-157.9	0	0	0	0	119.2
164	K	30.2	Very low	29.2	Very low	194 Å²	194	143.7 Å²	143.7	84%	0.843	76%	0.764	S	S	*	*			trans	-175.6	99.4	133.3	-102.4	160.6	-176.3	179.6	0	110.7
165	Y	28.7	Very low	29.3	Very low	244 Å²	244	141.5 Å²	141.5	96%	0.957	76%	0.761	S	S	*	*			trans	-128	104	163.5	-89.9	-77.7	0	0	0	108.2
166	L	29.7	Very low	29.4	Very low	154 Å²	154	141.4 Å²	141.4	81%	0.806	77%	0.767	S	S	*	*			trans	-114.8	125.9	176.6	-91.8	165.8	0	0	0	109.8	S168	L166-S168 PolarHBondContact O-N 2.92Å
167	S	27.4	Very low	29.7	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	76%	0.757	S	S	*	*			trans	24.5	84.6	145	60.6	0	0	0	0	119
168	S	29.3	Very low	30.4	Very low	94 Å²	94	139.7 Å²	139.7	66%	0.657	75%	0.753	S	S	*	*				-156.9	151.9	123.1	72.9	0	0	0	0	110	L166	L166-S168 PolarHBondContact O-N 2.92Å
169	W	27.2	Very low	31.5	Very low	160 Å²	160	134.6 Å²	134.6	61%	0.606	73%	0.731	S	S	*	*			trans	-113	52.8	167.9	-90.6	44.1	0	0	0	109.6	K553	W169-K553 HydrophobicContact CD2-CD 4.12Å; W169-K553 VanDerWaalsContact CE2-CE 3.46Å; W169-K553 VanDerWaalsContact CE3-NZ 3.26Å; W169-K553 VanDerWaalsContact CG-NZ 3.28Å; W169-K553 HydrophobicContact CH2-CD 4.26Å; W169-K553 HydrophobicContact CZ2-CD 3.69Å; W169-K553 HydrophobicContact CZ2-CG 4.31Å
170	A	29.1	Very low	33.4	Very low	68 Å²	68	127.2 Å²	127.2	56%	0.562	71%	0.705	S	S	*	*			trans	-85.6	122.7	158.8	0	0	0	0	0	108.2	S172	A170-S172 PolarHBondContact O-N 3.38Å
171	F	34	Very low	36	Very low	176 Å²	176	120.9 Å²	120.9	77%	0.772	67%	0.674	S	S	*	*			trans	-77.2	72.5	169.9	-94.9	-82.7	0	0	0	109.8	L173	F171-L173 PolarHBondContact O-N 3.31Å
172	S	31.4	Very low	39	Very low	108 Å²	108	116.3 Å²	116.3	76%	0.755	64%	0.641	S	S	*	*			trans	-71	76.9	171.6	56.5	0	0	0	0	110.3	A170	A170-S172 PolarHBondContact O-N 3.38Å
173	L	35.9	Very low	42.1	Very low	106 Å²	106	115.8 Å²	115.8	56%	0.555	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55.4	136.7	159.8	-98.6	75.7	0	0	0	108.4	F171	F171-L173 PolarHBondContact O-N 3.31Å
174	P	33.9	Very low	45.1	Very low	116 Å²	116	115.7 Å²	115.7	75%	0.753	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-48.6	146.4	173.4	-28.6	35.8	0	0	0	112.7
175	S	31.7	Very low	47.9	Very low	101 Å²	101	107 Å²	107	71%	0.706	58%	0.579	S	S	*	*	S	Bend	trans	-68.7	165.7	178.2	48.7	0	0	0	0	112.4
176	T	30.7	Very low	50.5	Low	141 Å²	141	101 Å²	101	87%	0.865	56%	0.559	S	S	*	*			trans	63.9	50.8	171.7	66.4	0	0	0	0	117.3
177	Q	36.7	Very low	53.1	Low	105 Å²	105	98.4 Å²	98.4	49%	0.491	55%	0.546	S	S	.	.	S	Bend	trans	-128.3	148.7	143.6	-80.3	-175.5	-16.8	0	0	108.9	K179 D667 N668	Q177-K179 PolarHBondContact O-N 2.9Å; Q177-D667 PolarHBondContact NE2-O 3.06Å; Q177-N668 PolarHBondContact NE2-OD1 2.85Å
178	I	40.7	Very low	55.8	Low	141 Å²	141	94.4 Å²	94.4	72%	0.723	51%	0.514	S	S	*	.			trans	-72.4	99.8	176.4	-59.4	174.9	0	0	0	107.5	Y670	I178-Y670 HydrophobicContact CB-CE1 4.48Å
179	K	53.5	Low	58.2	Low	105 Å²	105	93.9 Å²	93.9	46%	0.457	51%	0.508	S	S	.	.			trans	-70.2	130.2	-179.5	-67.7	174.5	-176.9	170.5	0	109.1	Q177	Q177-K179 PolarHBondContact O-N 2.9Å
180	S	65.2	Low	60.6	Low	48 Å²	48	89.7 Å²	89.7	34%	0.336	50%	0.498	S	S	.	.			trans	-60.6	138	169.8	-178.3	0	0	0	0	109.9	T486 H601	S180-T486 PolarHBondContact O-OG1 2.7Å; S180-H601 WeakPolarHBondContact CB-CE1 3.25Å; S180-H601 PolarHBondContact OG-CE1 3.34Å; S180-H601 PolarHBondContact OG-NE2 3.23Å
181	T	82.3	Confident	62.7	Low	46 Å²	46	88.2 Å²	88.2	28%	0.282	48%	0.483	S	S	.	.			trans	-116	158.2	-174.1	54.1	0	0	0	0	111.8	K183 E488 H601	T181-K183 PolarHBondContact O-N 2.9Å; T181-E488 HydrophobicContact CG2-CB 4.39Å; T181-E488 HydrophobicContact CG2-CG 3.82Å; T181-H601 VanDerWaalsContact C-CD2 3.49Å; T181-H601 PolarHBondContact O-NE2 3.24Å
182	T	89.1	Confident	64.9	Low	8 Å²	8	80.8 Å²	80.8	5%	0.049	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-72.8	121.1	174.8	-64.8	0	0	0	0	110	I184 A485 T486 A602	T182-I184 PolarHBondContact O-N 2.91Å; T182-A485 HydrophobicContact CG2-CB 3.97Å; T182-A485 VanDerWaalsContact OG1-CA 3.26Å; T182-A485 WeakPolarHBondContact OG1-CA 3.46Å; T182-T486 PolarHBondContact N-O 2.88Å; T182-T486 PolarHBondContact OG1-N 2.81Å; T182-T486 VanDerWaalsContact OG1-N 3.09Å; T182-A602 WeakPolarHBondContact CA-O 3.28Å; T182-A602 WeakPolarHBondContact CB-O 3.24Å; T182-A602 HydrophobicContact CG2-CB 3.96Å; T182-A602 WeakPolarHBondContact CG2-O 3.47Å; T182-A602 PolarHBondContact OG1-O 3.34Å
183	K	90	Very high	67.3	Low	96 Å²	96	81.7 Å²	81.7	42%	0.417	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.4	177.8	176	170.9	-174.9	166.9	0	110.5	T181 L603 L604 S605 I676	T181-K183 PolarHBondContact O-N 2.9Å; K183-L603 PolarHBondContact N-O 3.48Å; K183-L604 HydrophobicContact CB-CD2 4.06Å; K183-L604 HydrophobicContact CD-CD2 4.22Å; K183-L604 HydrophobicContact CG-CD2 4.08Å; K183-L604 CarbonylContact O-C 3.47Å; K183-L604 VanDerWaalsContact O-CA 3.3Å; K183-L604 WeakPolarHBondContact O-CA 3.44Å; K183-S605 PolarHBondContact O-N 3.05Å; K183-I676 HydrophobicContact CB-CD1 4.22Å; K183-I676 HydrophobicContact CD-CB 4.31Å; K183-I676 HydrophobicContact CD-CD1 4.15Å; K183-I676 PolarHBondContact NZ-O 2.88Å
184	I	89.6	Confident	69.8	Low	108 Å²	108	77.9 Å²	77.9	55%	0.554	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.7	171.9	-51.1	-56.1	0	0	0	109.4	T182 S605	T182-I184 PolarHBondContact O-N 2.91Å; I184-S605 CarbonylContact C-O 3.51Å; I184-S605 WeakPolarHBondContact CA-O 3.42Å
185	V	89	Confident	72.4	Confident	12 Å²	12	73.1 Å²	73.1	7%	0.073	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-93.4	117.9	174.1	179.4	0	0	0	0	108.5	L604 S605 Q606 W611 F648 K678	V185-L604 HydrophobicContact CG2-CB 4.19Å; V185-L604 HydrophobicContact CG2-CD1 4.42Å; V185-L604 HydrophobicContact CG2-CD2 3.84Å; V185-L604 HydrophobicContact CG2-CG 4.39Å; V185-S605 PolarHBondContact N-O 3.3Å; V185-Q606 HydrophobicContact CB-CB 4.11Å; V185-Q606 HydrophobicContact CB-CG 4.15Å; V185-Q606 HydrophobicContact CG1-CG 4.38Å; V185-W611 HydrophobicContact CG2-CH2 4.39Å; V185-F648 HydrophobicContact CG1-CE1 4.24Å; V185-F648 HydrophobicContact CG1-CZ 4.06Å; V185-F648 HydrophobicContact CG2-CE1 3.9Å; V185-F648 HydrophobicContact CG2-CZ 3.91Å; V185-K678 HydrophobicContact CG1-CD 4.21Å
186	E	85	Confident	75.1	Confident	118 Å²	118	70 Å²	70	55%	0.551	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-70.1	137.3	169	-65.6	177.4	173.8	0	0	111	K842	E186-K842 IonicContact OE2-NZ 3.53Å; E186-K842 PolarHBondContact OE2-NZ 3.25Å
187	N	83.9	Confident	77.9	Confident	99 Å²	99	64.3 Å²	64.3	53%	0.529	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.3	134.6	159.4	-66.5	6.5	0	0	0	108	Q606	N187-Q606 PolarHBondContact OD1-NE2 3.43Å
188	W	83.6	Confident	80.5	Confident	27 Å²	27	59.5 Å²	59.5	10%	0.102	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-87.3	146.3	173.2	-67.7	-15.3	0	0	0	109.2	D192 R194 I195 K678	W188-D192 HydrophobicContact CB-CB 3.98Å; W188-D192 HydrophobicContact CG-CB 4.47Å; W188-R194 HydrophobicContact CE3-CB 4.13Å; W188-R194 HydrophobicContact CH2-CB 3.95Å; W188-R194 VanDerWaalsContact CZ2-CZ 3.5Å; W188-R194 HydrophobicContact CZ3-CB 3.42Å; W188-R194 VanDerWaalsContact CZ3-CB 3.42Å; W188-R194 HydrophobicContact CZ3-CG 4.43Å; W188-I195 HydrophobicContact CB-CD1 3.83Å; W188-I195 HydrophobicContact CB-CG1 4.4Å; W188-I195 HydrophobicContact CE3-CG1 4.11Å; W188-K678 HydrophobicContact CD2-CD 4.09Å; W188-K678 HydrophobicContact CE3-CD 4.31Å; W188-K678 HydrophobicContact CH2-CB 4.06Å; W188-K678 HydrophobicContact CH2-CD 3.88Å; W188-K678 HydrophobicContact CH2-CG 3.56Å; W188-K678 WeakPolarHBondContact CH2-O 3.44Å; W188-K678 HydrophobicContact CZ2-CB 3.75Å; W188-K678 HydrophobicContact CZ2-CD 3.58Å; W188-K678 HydrophobicContact CZ2-CG 3.58Å; W188-K678 HydrophobicContact CZ3-CD 4.2Å; W188-K678 HydrophobicContact CZ3-CG 4.15Å
189	P	80.3	Confident	82.6	Confident	83 Å²	83	55 Å²	55	54%	0.539	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.8	145.1	169.6	29.6	-34.3	0	0	0	108.6	S191 D192 I195	P189-S191 PolarHBondContact O-N 2.92Å; P189-D192 HydrophobicContact CG-CB 4.46Å; P189-D192 WeakPolarHBondContact O-CB 3.49Å; P189-D192 PolarHBondContact O-N 3.49Å; P189-I195 WeakPolarHBondContact O-CD1 3.27Å
190	L	77.8	Confident	84.2	Confident	72 Å²	72	50.9 Å²	50.9	38%	0.377	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-3.1	-179	-65.5	175.3	0	0	0	114.8	L683 Q908	L190-L683 HydrophobicContact CD2-CD2 3.9Å; L190-Q908 PolarHBondContact O-NE2 2.84Å; L190-Q908 PolarHBondContact O-OE1 3.03Å
191	S	72	Confident	85.4	Confident	36 Å²	36	48.8 Å²	48.8	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7	174.8	69.7	0	0	0	0	114.3	P189 Q908 V909	P189-S191 PolarHBondContact O-N 2.92Å; S191-Q908 VanDerWaalsContact CB-C 3.43Å; S191-Q908 WeakPolarHBondContact CB-O 3.13Å; S191-V909 WeakPolarHBondContact O-CG2 3.43Å
192	D	81.6	Confident	85.8	Confident	20 Å²	20	47.6 Å²	47.6	11%	0.107	24%	0.24	C	C	.	.	S	Bend	trans	-71.2	129.5	168.5	-168	-56.7	0	0	0	109.2	W188 P189 R194 I195	W188-D192 HydrophobicContact CB-CB 3.98Å; W188-D192 HydrophobicContact CG-CB 4.47Å; P189-D192 HydrophobicContact CG-CB 4.46Å; P189-D192 WeakPolarHBondContact O-CB 3.49Å; P189-D192 PolarHBondContact O-N 3.49Å; D192-R194 PolarHBondContact O-N 3.49Å; D192-R194 WeakPolarHBondContact OD1-CB 3.24Å; D192-R194 IonicContact OD1-CZ 2.78Å; D192-R194 PolarHBondContact OD1-N 3.33Å; D192-R194 VanDerWaalsContact OD1-N 3.1Å; D192-R194 IonicContact OD1-NE 2.64Å; D192-R194 PolarHBondContact OD1-NE 2.83Å; D192-R194 IonicContact OD1-NH2 3.49Å; D192-R194 PolarHBondContact OD1-NH2 3.32Å; D192-R194 IonicContact OD2-CZ 3.93Å; D192-R194 IonicContact OD2-NE 3.88Å; D192-R194 IonicContact OD2-NH2 3.07Å; D192-R194 PolarHBondContact OD2-NH2 2.85Å; D192-I195 HydrophobicContact CB-CD1 4.14Å; D192-I195 HydrophobicContact CB-CG1 4.21Å; D192-I195 WeakPolarHBondContact O-CB 3.37Å; D192-I195 PolarHBondContact O-N 2.89Å
193	H	81.4	Confident	85.8	Confident	127 Å²	127	54 Å²	54	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-12	-175.1	63.1	-86.2	0	0	0	114.2	I195	H193-I195 VanDerWaalsContact C-N 3.34Å
194	R	87.3	Confident	85.7	Confident	26 Å²	26	56 Å²	56	10%	0.098	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.3	175.4	-61	165.6	-64.1	-177.3	1.6	113.1	W188 D192 L679 K680 E681	W188-R194 HydrophobicContact CE3-CB 4.13Å; W188-R194 HydrophobicContact CH2-CB 3.95Å; W188-R194 VanDerWaalsContact CZ2-CZ 3.5Å; W188-R194 HydrophobicContact CZ3-CB 3.42Å; W188-R194 VanDerWaalsContact CZ3-CB 3.42Å; W188-R194 HydrophobicContact CZ3-CG 4.43Å; D192-R194 PolarHBondContact O-N 3.49Å; D192-R194 WeakPolarHBondContact OD1-CB 3.24Å; D192-R194 IonicContact OD1-CZ 2.78Å; D192-R194 PolarHBondContact OD1-N 3.33Å; D192-R194 VanDerWaalsContact OD1-N 3.1Å; D192-R194 IonicContact OD1-NE 2.64Å; D192-R194 PolarHBondContact OD1-NE 2.83Å; D192-R194 IonicContact OD1-NH2 3.49Å; D192-R194 PolarHBondContact OD1-NH2 3.32Å; D192-R194 IonicContact OD2-CZ 3.93Å; D192-R194 IonicContact OD2-NE 3.88Å; D192-R194 IonicContact OD2-NH2 3.07Å; D192-R194 PolarHBondContact OD2-NH2 2.85Å; R194-L679 WeakPolarHBondContact CB-O 3.29Å; R194-L679 WeakPolarHBondContact CD-O 3.48Å; R194-K680 WeakPolarHBondContact O-CA 3.49Å; R194-E681 PolarHBondContact O-N 3.45Å
195	I	88.4	Confident	85.7	Confident	17 Å²	17	58 Å²	58	9%	0.087	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.2	170.7	-62.9	179.2	0	0	0	109.4	W188 P189 D192 H193 E681 L683	W188-I195 HydrophobicContact CB-CD1 3.83Å; W188-I195 HydrophobicContact CB-CG1 4.4Å; W188-I195 HydrophobicContact CE3-CG1 4.11Å; P189-I195 WeakPolarHBondContact O-CD1 3.27Å; D192-I195 HydrophobicContact CB-CD1 4.14Å; D192-I195 HydrophobicContact CB-CG1 4.21Å; D192-I195 WeakPolarHBondContact O-CB 3.37Å; D192-I195 PolarHBondContact O-N 2.89Å; H193-I195 VanDerWaalsContact C-N 3.34Å; I195-E681 CarbonylContact C-O 3.57Å; I195-E681 WeakPolarHBondContact CA-O 3.24Å; I195-E681 HydrophobicContact CG1-CB 4.36Å; I195-L683 HydrophobicContact CG2-CD1 3.39Å
196	E	89.2	Confident	85.7	Confident	36 Å²	36	59.5 Å²	59.5	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.9	-177.4	-61.1	174.9	144.6	0	0	110.8	L201 E681 I682 L683 R780	E196-L201 HydrophobicContact CB-CD1 4.48Å; E196-E681 PolarHBondContact N-O 3.16Å; E196-I682 CarbonylContact O-C 3.54Å; E196-I682 WeakPolarHBondContact O-CA 3.45Å; E196-L683 PolarHBondContact O-N 3Å; E196-R780 IonicContact OE1-CZ 2.64Å; E196-R780 VanDerWaalsContact OE1-CZ 3.24Å; E196-R780 IonicContact OE1-NH1 3.63Å; E196-R780 PolarHBondContact OE1-NH1 2.84Å; E196-R780 IonicContact OE1-NH2 2.69Å; E196-R780 PolarHBondContact OE1-NH2 2.84Å; E196-R780 IonicContact OE2-CZ 2.79Å; E196-R780 IonicContact OE2-NH1 2.95Å; E196-R780 IonicContact OE2-NH2 3.58Å; E196-R780 PolarHBondContact OE2-NH2 3.46Å
197	F	90.2	Very high	86.1	Confident	21 Å²	21	54.5 Å²	54.5	9%	0.092	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	170.4	-66	-87.1	0	0	0	109	E199 D200 L201 L683 R686	F197-E199 PolarHBondContact O-N 3.34Å; F197-D200 HydrophobicContact CB-CB 4.25Å; F197-D200 WeakPolarHBondContact O-CB 3.3Å; F197-D200 PolarHBondContact O-N 3.33Å; F197-L201 PolarHBondContact O-N 2.89Å; F197-L201 VanDerWaalsContact O-N 3.15Å; F197-L683 HydrophobicContact CD1-CB 3.84Å; F197-L683 HydrophobicContact CE1-CB 3.83Å; F197-L683 HydrophobicContact CE1-CD2 3.94Å; F197-L683 HydrophobicContact CE1-CG 4.39Å; F197-L683 HydrophobicContact CZ-CD2 4.37Å; F197-R686 HydrophobicContact CB-CG 4.48Å; F197-R686 HydrophobicContact CD1-CG 4.15Å; F197-R686 HydrophobicContact CG-CG 4.16Å
198	I	90.8	Very high	86.5	Confident	4 Å²	4	53 Å²	53	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-34.6	-177	-164.5	166.1	0	0	0	111.6	D200 L201 I202 I682 L683 L684 I767 F774 L776	I198-D200 VanDerWaalsContact C-N 3.33Å; I198-D200 PolarHBondContact O-N 3.37Å; I198-L201 PolarHBondContact O-N 2.77Å; I198-I202 WeakPolarHBondContact O-CG1 3.4Å; I198-I202 PolarHBondContact O-N 3.26Å; I198-I202 VanDerWaalsContact O-N 3.09Å; I198-I682 HydrophobicContact CB-CG2 4.05Å; I198-L683 PolarHBondContact N-O 2.86Å; I198-L684 HydrophobicContact CG2-CD1 3.87Å; I198-I767 HydrophobicContact CD1-CD1 3.69Å; I198-F774 HydrophobicContact CD1-CB 3.71Å; I198-F774 HydrophobicContact CD1-CD1 3.91Å; I198-F774 HydrophobicContact CD1-CD2 3.72Å; I198-F774 HydrophobicContact CD1-CE1 4.43Å; I198-F774 HydrophobicContact CD1-CE2 4.27Å; I198-F774 HydrophobicContact CD1-CG 3.51Å; I198-F774 HydrophobicContact CG1-CB 4.44Å; I198-F774 HydrophobicContact CG1-CD1 3.98Å; I198-F774 HydrophobicContact CG1-CE1 4.33Å; I198-F774 HydrophobicContact CG1-CG 4.11Å; I198-F774 HydrophobicContact CG2-CE1 4.46Å; I198-F774 HydrophobicContact CG2-CZ 4.35Å; I198-L776 HydrophobicContact CD1-CD1 4.42Å; I198-L776 HydrophobicContact CG1-CD1 4.38Å
199	E	85.1	Confident	87	Confident	46 Å²	46	57.2 Å²	57.2	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-37.7	174.9	-62.4	73.8	-158.4	0	0	112.3	F197 L201 I202 Q203 G685	F197-E199 PolarHBondContact O-N 3.34Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-I202 PolarHBondContact O-N 2.9Å; E199-Q203 VanDerWaalsContact O-CG 3.3Å; E199-Q203 WeakPolarHBondContact O-CG 3.49Å; E199-Q203 PolarHBondContact O-N 2.64Å; E199-G685 VanDerWaalsContact CD-CA 3.5Å; E199-G685 VanDerWaalsContact CD-N 3.34Å; E199-G685 VanDerWaalsContact OE1-CA 3.31Å; E199-G685 WeakPolarHBondContact OE1-CA 3.45Å; E199-G685 PolarHBondContact OE1-N 3Å; E199-G685 VanDerWaalsContact OE2-CA 3.23Å; E199-G685 WeakPolarHBondContact OE2-CA 3.4Å; E199-G685 PolarHBondContact OE2-N 3.48Å
200	D	86.5	Confident	87.6	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.102	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-32.6	178.6	-68.9	13.7	0	0	0	111.1	F197 I198 K204 R686	F197-D200 HydrophobicContact CB-CB 4.25Å; F197-D200 WeakPolarHBondContact O-CB 3.3Å; F197-D200 PolarHBondContact O-N 3.33Å; I198-D200 VanDerWaalsContact C-N 3.33Å; I198-D200 PolarHBondContact O-N 3.37Å; D200-K204 WeakPolarHBondContact O-CB 3.31Å; D200-K204 VanDerWaalsContact O-CG 3.24Å; D200-K204 WeakPolarHBondContact O-CG 3.27Å; D200-K204 PolarHBondContact O-N 3.1Å; D200-K204 VanDerWaalsContact O-N 3.1Å; D200-R686 IonicContact OD1-CZ 2.81Å; D200-R686 IonicContact OD1-NE 3.7Å; D200-R686 PolarHBondContact OD1-NE 2.96Å; D200-R686 IonicContact OD1-NH2 2.78Å; D200-R686 PolarHBondContact OD1-NH2 2.8Å; D200-R686 IonicContact OD2-CZ 2.81Å; D200-R686 IonicContact OD2-NE 3.66Å; D200-R686 IonicContact OD2-NH2 3.21Å; D200-R686 PolarHBondContact OD2-NH2 2.95Å
201	L	90.2	Very high	88.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-39.7	171.9	-62.9	177.9	0	0	0	111.8	E196 F197 I198 E199 K204 I206 I682 L776	E196-L201 HydrophobicContact CB-CD1 4.48Å; F197-L201 PolarHBondContact O-N 2.89Å; F197-L201 VanDerWaalsContact O-N 3.15Å; I198-L201 PolarHBondContact O-N 2.77Å; E199-L201 VanDerWaalsContact C-N 3.35Å; L201-K204 PolarHBondContact O-N 2.72Å; L201-I206 HydrophobicContact CB-CB 4.5Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 WeakPolarHBondContact O-CB 3.48Å; L201-I206 PolarHBondContact O-N 3.29Å; L201-I682 HydrophobicContact CD1-CD1 4.33Å; L201-I682 HydrophobicContact CD1-CG2 4.29Å; L201-L776 HydrophobicContact CB-CD2 4.15Å; L201-L776 HydrophobicContact CD1-CD1 3.86Å; L201-L776 HydrophobicContact CD1-CD2 4.1Å
202	I	91.5	Very high	88.7	Confident	21 Å²	21	54 Å²	54	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-41.7	173.9	-58.1	-56.2	0	0	0	111.2	I198 E199 K204 N205 G207 K209 F774 L776	I198-I202 WeakPolarHBondContact O-CG1 3.4Å; I198-I202 PolarHBondContact O-N 3.26Å; I198-I202 VanDerWaalsContact O-N 3.09Å; E199-I202 PolarHBondContact O-N 2.9Å; I202-K204 PolarHBondContact O-N 3.45Å; I202-N205 PolarHBondContact O-N 2.81Å; I202-G207 WeakPolarHBondContact CD1-O 3.43Å; I202-K209 HydrophobicContact CD1-CB 4.39Å; I202-K209 HydrophobicContact CG1-CB 4.37Å; I202-K209 HydrophobicContact CG2-CB 4.43Å; I202-K209 HydrophobicContact CG2-CD 4Å; I202-K209 HydrophobicContact CG2-CG 4.03Å; I202-F774 HydrophobicContact CD1-CD1 4.05Å; I202-F774 HydrophobicContact CG1-CD1 3.86Å; I202-F774 HydrophobicContact CG1-CE1 4.13Å; I202-L776 HydrophobicContact CD1-CD2 4.47Å
203	Q	88.2	Confident	88.4	Confident	142 Å²	142	60.5 Å²	60.5	66%	0.664	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-28.6	176	-74.3	173.1	30.7	0	0	113.1	E199 N205	E199-Q203 VanDerWaalsContact O-CG 3.3Å; E199-Q203 WeakPolarHBondContact O-CG 3.49Å; E199-Q203 PolarHBondContact O-N 2.64Å; Q203-N205 VanDerWaalsContact C-N 3.27Å; Q203-N205 PolarHBondContact O-N 3.01Å
204	K	87.2	Confident	87.6	Confident	139 Å²	139	59.2 Å²	59.2	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.7	173.5	-69.7	170.8	-178.1	-179.5	0	113.9	D200 L201 I202 I206	D200-K204 WeakPolarHBondContact O-CB 3.31Å; D200-K204 VanDerWaalsContact O-CG 3.24Å; D200-K204 WeakPolarHBondContact O-CG 3.27Å; D200-K204 PolarHBondContact O-N 3.1Å; D200-K204 VanDerWaalsContact O-N 3.1Å; L201-K204 PolarHBondContact O-N 2.72Å; I202-K204 PolarHBondContact O-N 3.45Å; K204-I206 HydrophobicContact CB-CD1 3.69Å; K204-I206 HydrophobicContact CB-CG1 3.8Å; K204-I206 HydrophobicContact CD-CD1 3.87Å; K204-I206 HydrophobicContact CG-CD1 4.45Å; K204-I206 PolarHBondContact O-N 2.88Å
205	N	90.9	Very high	86.1	Confident	149 Å²	149	59.6 Å²	59.6	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	24.1	-172.7	-61.5	-33.3	0	0	0	114.4	I202 Q203 G207	I202-N205 PolarHBondContact O-N 2.81Å; Q203-N205 VanDerWaalsContact C-N 3.27Å; Q203-N205 PolarHBondContact O-N 3.01Å; N205-G207 VanDerWaalsContact C-N 3.34Å
206	I	89.5	Confident	84.6	Confident	45 Å²	45	65 Å²	65	23%	0.231	33%	0.329	C	S	.	.	S	Bend	trans	-76.4	-26.7	178.5	-64.9	170.6	0	0	0	110.9	L201 K204 P777 R780	L201-I206 HydrophobicContact CB-CB 4.5Å; L201-I206 HydrophobicContact CD2-CD1 3.91Å; L201-I206 WeakPolarHBondContact O-CB 3.48Å; L201-I206 PolarHBondContact O-N 3.29Å; K204-I206 HydrophobicContact CB-CD1 3.69Å; K204-I206 HydrophobicContact CB-CG1 3.8Å; K204-I206 HydrophobicContact CD-CD1 3.87Å; K204-I206 HydrophobicContact CG-CD1 4.45Å; K204-I206 PolarHBondContact O-N 2.88Å; I206-P777 HydrophobicContact CG2-CG 4.15Å; I206-P777 WeakPolarHBondContact O-CD 3.47Å; I206-R780 VanDerWaalsContact CG2-CD 3.42Å; I206-R780 HydrophobicContact CG2-CG 4.36Å
207	G	91.4	Very high	83.7	Confident	13 Å²	13	68 Å²	68	13%	0.134	35%	0.346	C	S	.	.	S	Bend	trans	-140.1	175.1	176.8	0	0	0	0	0	112.7	I202 N205 R775	I202-G207 WeakPolarHBondContact CD1-O 3.43Å; N205-G207 VanDerWaalsContact C-N 3.34Å; G207-R775 CarbonylContact C-O 3.6Å; G207-R775 WeakPolarHBondContact CA-O 3.3Å
208	I	93.7	Very high	83.2	Confident	66 Å²	66	67.4 Å²	67.4	34%	0.338	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.2	177.4	-52.2	-172.3	0	0	0	109.1	F249 F774 R775	I208-F249 HydrophobicContact CB-CD2 4.29Å; I208-F249 HydrophobicContact CB-CE2 4.5Å; I208-F249 HydrophobicContact CG2-CD2 3.83Å; I208-F249 HydrophobicContact CG2-CE2 4.48Å; I208-F249 HydrophobicContact CG2-CG 4.45Å; I208-F774 CarbonylContact O-C 3.55Å; I208-F774 WeakPolarHBondContact O-CA 3.22Å; I208-R775 PolarHBondContact N-O 3.2Å; I208-R775 VanDerWaalsContact N-O 3.07Å; I208-R775 PolarHBondContact O-N 3.48Å
209	K	93.1	Very high	83.2	Confident	116 Å²	116	70.4 Å²	70.4	50%	0.504	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.2	169.8	68.6	178.1	176.8	-177.6	0	110.5	I202 L773 F774	I202-K209 HydrophobicContact CD1-CB 4.39Å; I202-K209 HydrophobicContact CG1-CB 4.37Å; I202-K209 HydrophobicContact CG2-CB 4.43Å; I202-K209 HydrophobicContact CG2-CD 4Å; I202-K209 HydrophobicContact CG2-CG 4.03Å; K209-L773 CarbonylContact C-O 3.44Å; K209-L773 VanDerWaalsContact CA-O 3.32Å; K209-L773 WeakPolarHBondContact CA-O 3.22Å; K209-F774 HydrophobicContact CB-CD1 3.69Å; K209-F774 HydrophobicContact CB-CE1 3.84Å
210	F	93.6	Very high	83.5	Confident	22 Å²	22	68.2 Å²	68.2	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.3	166.5	173.1	-96.2	0	0	0	109.7	D212 F220 L234 L242 L244 F249 Q772 L773	F210-D212 HydrophobicContact CE1-CB 4.06Å; F210-D212 HydrophobicContact CZ-CB 3.95Å; F210-F220 HydrophobicContact CD1-CZ 4.32Å; F210-F220 AromaticContact CE1-CZ 3.96Å; F210-F220 HydrophobicContact CE1-CZ 3.96Å; F210-L234 HydrophobicContact CD1-CD1 4.21Å; F210-L234 HydrophobicContact CE1-CD1 4.26Å; F210-L242 HydrophobicContact CE1-CD1 3.98Å; F210-L242 HydrophobicContact CZ-CD1 4.08Å; F210-L244 HydrophobicContact CB-CD1 4.35Å; F210-L244 HydrophobicContact CD1-CD1 3.64Å; F210-L244 HydrophobicContact CD2-CD1 3.97Å; F210-L244 HydrophobicContact CD2-CD2 4.21Å; F210-L244 HydrophobicContact CE1-CD1 3.86Å; F210-L244 HydrophobicContact CE1-CD2 4.21Å; F210-L244 HydrophobicContact CE2-CD1 4.19Å; F210-L244 HydrophobicContact CE2-CD2 3.7Å; F210-L244 HydrophobicContact CG-CD1 3.7Å; F210-L244 HydrophobicContact CZ-CD1 4.14Å; F210-L244 HydrophobicContact CZ-CD2 3.7Å; F210-F249 HydrophobicContact CB-CB 3.92Å; F210-F249 HydrophobicContact CB-CD2 3.58Å; F210-F249 HydrophobicContact CB-CE2 4.23Å; F210-F249 HydrophobicContact CB-CG 4.02Å; F210-F249 HydrophobicContact CD2-CB 4.37Å; F210-F249 WeakPolarHBondContact CD2-O 3.25Å; F210-Q772 WeakPolarHBondContact O-CA 3.1Å; F210-L773 HydrophobicContact CB-CB 4.28Å; F210-L773 PolarHBondContact N-O 3.16Å; F210-L773 PolarHBondContact O-N 3.1Å
211	R	89.1	Confident	83.8	Confident	97 Å²	97	69.5 Å²	69.5	37%	0.366	36%	0.36	S	S	.	.			trans	-148.9	118.8	174.3	179.4	177	173.1	150.6	2.9	107.1	G215 N216 Q772	R211-G215 PolarHBondContact NH2-O 2.9Å; R211-G215 VanDerWaalsContact NH2-O 3.11Å; R211-N216 PolarHBondContact NH2-OD1 3.02Å; R211-Q772 HydrophobicContact CB-CG 4.25Å; R211-Q772 HydrophobicContact CG-CG 4.32Å
212	D	84.5	Confident	83.9	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.032	37%	0.365	C	S	.	.			trans	-67.6	139.2	177.6	-172	0.2	0	0	0	110.2	F210 D214 N218 F220 K236 L242 K254	F210-D212 HydrophobicContact CE1-CB 4.06Å; F210-D212 HydrophobicContact CZ-CB 3.95Å; D212-D214 VanDerWaalsContact C-N 3.28Å; D212-D214 PolarHBondContact O-N 2.03Å; D212-N218 PolarHBondContact O-ND2 3.17Å; D212-F220 HydrophobicContact CB-CZ 4.4Å; D212-K236 HydrophobicContact CB-CD 4.38Å; D212-K236 VanDerWaalsContact CG-NZ 3.26Å; D212-K236 IonicContact OD1-NZ 2.98Å; D212-K236 WeakPolarHBondContact OD2-CD 3.49Å; D212-K236 WeakPolarHBondContact OD2-CE 3.41Å; D212-K236 IonicContact OD2-NZ 2.75Å; D212-K236 PolarHBondContact OD2-NZ 2.89Å; D212-L242 HydrophobicContact CB-CD1 4.37Å; D212-K254 IonicContact OD1-NZ 3.78Å; D212-K254 PolarHBondContact OD1-NZ 2.81Å; D212-K254 IonicContact OD2-NZ 3.73Å; D212-K254 PolarHBondContact OD2-NZ 2.78Å
213	D	73.8	Confident	84	Confident	155 Å²	155	69.5 Å²	69.5	83%	0.829	36%	0.359	S	S	*	.	S	Bend	trans	-71.5	-15	-161.4	-68.7	-51.6	0	0	0	114.6	G215	D213-G215 PolarHBondContact O-N 3.32Å
214	D	65.7	Low	84.3	Confident	101 Å²	101	63 Å²	63	54%	0.54	33%	0.329	S	S	.	.	S	Bend	trans	-67.6	28.9	-178.4	-43.9	-43	0	0	0	114.7	D212 K236 K254	D212-D214 VanDerWaalsContact C-N 3.28Å; D212-D214 PolarHBondContact O-N 2.03Å; D214-K236 IonicContact OD2-NZ 3.62Å; D214-K236 PolarHBondContact OD2-NZ 2.96Å; D214-K254 IonicContact OD1-NZ 3.55Å; D214-K254 IonicContact OD2-NZ 2.89Å; D214-K254 PolarHBondContact OD2-NZ 3.41Å
215	G	55.2	Low	84.6	Confident	34 Å²	34	56.4 Å²	56.4	35%	0.351	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-151	164.5	0	0	0	0	0	116.7	R211 D213 N217	R211-G215 PolarHBondContact NH2-O 2.9Å; R211-G215 VanDerWaalsContact NH2-O 3.11Å; D213-G215 PolarHBondContact O-N 3.32Å; G215-N217 VanDerWaalsContact C-N 3.35Å; G215-N217 PolarHBondContact O-N 2.86Å
216	N	57.1	Low	84.7	Confident	130 Å²	130	49.4 Å²	49.4	70%	0.695	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.3	-169.7	-100	-23.9	0	0	0	115	R211	R211-N216 PolarHBondContact NH2-OD1 3.02Å
217	N	69.7	Low	84.8	Confident	98 Å²	98	50.4 Å²	50.4	52%	0.524	27%	0.273	S	S	.	.			trans	-113.9	32.2	-169.9	-155.3	35.2	0	0	0	113.6	G215 N237 K751	G215-N217 VanDerWaalsContact C-N 3.35Å; G215-N217 PolarHBondContact O-N 2.86Å; N217-N237 PolarHBondContact O-ND2 3.08Å; N217-N237 PolarHBondContact O-OD1 3.12Å; N217-K751 PolarHBondContact OD1-NZ 2.94Å
218	N	80.9	Confident	84.7	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.053	29%	0.291	C	S	.	.			trans	-67.9	137.2	166.5	-69.1	-23.8	0	0	0	110.2	D212 K236 N770	D212-N218 PolarHBondContact O-ND2 3.17Å; N218-K236 WeakPolarHBondContact OD1-CE 3.4Å; N218-K236 PolarHBondContact OD1-NZ 3.14Å; N218-N770 CarbonylContact C-O 3.59Å; N218-N770 VanDerWaalsContact O-O 3.09Å
219	N	89.6	Confident	84.6	Confident	67 Å²	67	54.6 Å²	54.6	36%	0.358	29%	0.289	S	S	.	.			trans	-137.3	81.8	174.1	-174.5	27.3	0	0	0	109.2	N237 N770	N219-N237 WeakPolarHBondContact CB-OD1 3.02Å; N219-N237 PolarHBondContact N-OD1 3.14Å; N219-N237 PolarHBondContact O-N 2.93Å; N219-N770 CarbonylContact C-O 3.52Å; N219-N770 WeakPolarHBondContact CA-O 3.24Å; N219-N770 PolarHBondContact N-O 2.99Å
220	F	92.8	Very high	84.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.6	175.8	-60.9	-58.2	0	0	0	111.1	F210 D212 L234 V235 K236 L242 M768 N770 K771	F210-F220 HydrophobicContact CD1-CZ 4.32Å; F210-F220 AromaticContact CE1-CZ 3.96Å; F210-F220 HydrophobicContact CE1-CZ 3.96Å; D212-F220 HydrophobicContact CB-CZ 4.4Å; F220-L234 HydrophobicContact CD1-CB 4.39Å; F220-L234 HydrophobicContact CD1-CD1 4.35Å; F220-L234 HydrophobicContact CE1-CD1 4.11Å; F220-L234 HydrophobicContact CZ-CD1 4.37Å; F220-V235 WeakPolarHBondContact CA-O 3.29Å; F220-K236 HydrophobicContact CD1-CB 3.87Å; F220-K236 HydrophobicContact CE1-CB 3.83Å; F220-K236 HydrophobicContact CE1-CD 4.33Å; F220-K236 HydrophobicContact CE1-CG 4.32Å; F220-L242 HydrophobicContact CE1-CD1 4Å; F220-M768 HydrophobicContact CB-CG 4.02Å; F220-M768 HydrophobicContact CB-SD 3.84Å; F220-N770 PolarHBondContact N-O 3.04Å; F220-K771 VanDerWaalsContact CE2-C 3.45Å; F220-K771 VanDerWaalsContact CE2-O 3.27Å; F220-K771 WeakPolarHBondContact CE2-O 3.17Å
221	S	91.6	Very high	84.6	Confident	45 Å²	45	50 Å²	50	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	-38.3	-166.8	57.9	0	0	0	0	114.4	V235	S221-V235 PolarHBondContact N-O 2.9Å; S221-V235 WeakPolarHBondContact OG-CG1 3Å; S221-V235 PolarHBondContact OG-O 2.86Å
222	Q	93.1	Very high	84.9	Confident	25 Å²	25	45.4 Å²	45.4	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148	175.7	-48.1	-166.1	33.7	0	0	109.9	L234 V235 S280 L282	Q222-L234 WeakPolarHBondContact O-CA 3.49Å; Q222-V235 HydrophobicContact CB-CB 4.04Å; Q222-V235 HydrophobicContact CB-CG2 3.91Å; Q222-V235 HydrophobicContact CG-CB 4.39Å; Q222-V235 HydrophobicContact CG-CG2 4.39Å; Q222-V235 PolarHBondContact O-N 3.01Å; Q222-S280 PolarHBondContact NE2-O 3.25Å; Q222-S280 VanDerWaalsContact NE2-O 3.16Å; Q222-L282 HydrophobicContact CB-CB 4.36Å; Q222-L282 HydrophobicContact CB-CD2 4.49Å
223	M	94.3	Very high	85.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.4	173.6	174.1	177.6	75.7	0	0	109.2	I232 Y233 L234 R757 E759 H766 M768 L773	M223-I232 HydrophobicContact CG-CG2 3.99Å; M223-I232 HydrophobicContact SD-CG2 4.27Å; M223-Y233 CarbonylContact C-O 3.58Å; M223-Y233 VanDerWaalsContact CA-O 3.27Å; M223-Y233 WeakPolarHBondContact CA-O 3.39Å; M223-L234 HydrophobicContact CB-CD2 3.69Å; M223-L234 HydrophobicContact CG-CD2 3.65Å; M223-L234 HydrophobicContact SD-CD2 4.14Å; M223-R757 HydrophobicContact CE-CG 4.1Å; M223-R757 PolarHBondContact O-NE 2.9Å; M223-R757 PolarHBondContact O-NH1 3.27Å; M223-R757 PolarHBondContact O-NH2 2.75Å; M223-R757 VanDerWaalsContact O-NH2 3.16Å; M223-E759 HydrophobicContact CE-CB 3.51Å; M223-H766 HydrophobicContact CE-CB 4.38Å; M223-M768 HydrophobicContact CB-CE 4.44Å; M223-M768 HydrophobicContact CB-SD 3.68Å; M223-M768 HydrophobicContact CE-CB 4.49Å; M223-M768 HydrophobicContact SD-CB 4.16Å; M223-L773 HydrophobicContact SD-CD1 3.66Å
224	I	94.2	Very high	86.5	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.5	165.3	-81.4	-166.8	0	0	0	109.9	I226 Y233 L282 A283 K284 I291	I224-I226 HydrophobicContact CG2-CG1 4Å; I224-Y233 PolarHBondContact N-O 2.91Å; I224-Y233 PolarHBondContact O-N 3.43Å; I224-L282 HydrophobicContact CB-CD2 4.21Å; I224-L282 HydrophobicContact CB-CG 4.26Å; I224-L282 HydrophobicContact CD1-CG 4.12Å; I224-L282 WeakPolarHBondContact CD1-O 3.32Å; I224-L282 HydrophobicContact CG1-CD2 4.4Å; I224-L282 HydrophobicContact CG1-CG 4.15Å; I224-A283 VanDerWaalsContact CD1-CA 3.49Å; I224-K284 HydrophobicContact CD1-CG 4.29Å; I224-K284 HydrophobicContact CG2-CD 4.47Å; I224-K284 HydrophobicContact CG2-CG 3.9Å; I224-I291 HydrophobicContact CG2-CG2 4.26Å
225	I	93.7	Very high	87.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.9	170.1	-52.4	179.7	0	0	0	109.5	P227 I232 M246 K284 E759 H766	I225-P227 HydrophobicContact CG2-CG 4.41Å; I225-I232 HydrophobicContact CG1-CD1 4.43Å; I225-I232 HydrophobicContact CG1-CG1 4.15Å; I225-I232 HydrophobicContact CG1-CG2 4.37Å; I225-I232 HydrophobicContact CG2-CG1 4.3Å; I225-M246 HydrophobicContact CG2-CG 4.39Å; I225-M246 HydrophobicContact CG2-SD 3.59Å; I225-M246 VanDerWaalsContact CG2-SD 3.59Å; I225-K284 WeakPolarHBondContact O-CE 3.5Å; I225-K284 PolarHBondContact O-NZ 2.91Å; I225-E759 WeakPolarHBondContact CB-OE1 3.35Å; I225-E759 HydrophobicContact CD1-CB 4Å; I225-E759 HydrophobicContact CD1-CG 3.94Å; I225-E759 HydrophobicContact CG1-CG 4.38Å; I225-E759 WeakPolarHBondContact CG1-OE1 3.33Å; I225-E759 PolarHBondContact N-OE1 2.87Å; I225-H766 HydrophobicContact CD1-CB 3.9Å; I225-H766 WeakPolarHBondContact CD1-ND1 3.38Å
226	I	93	Very high	89.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	98.5	169	-60.4	-166.6	0	0	0	109.3	I224 K228 T229 S230 S231 Y233 K284 E288 I291	I224-I226 HydrophobicContact CG2-CG1 4Å; I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 HydrophobicContact CG2-CB 4.32Å; I226-K228 PolarHBondContact O-N 3.15Å; I226-T229 HydrophobicContact CG2-CG2 4.44Å; I226-T229 VanDerWaalsContact CG2-OG1 3.23Å; I226-T229 WeakPolarHBondContact CG2-OG1 3.45Å; I226-T229 PolarHBondContact O-N 3.05Å; I226-S230 PolarHBondContact O-N 3.18Å; I226-S230 VanDerWaalsContact O-N 3.12Å; I226-S231 PolarHBondContact N-O 2.91Å; I226-S231 PolarHBondContact O-N 3.13Å; I226-S231 VanDerWaalsContact O-N 3.09Å; I226-Y233 HydrophobicContact CD1-CD2 4.48Å; I226-Y233 HydrophobicContact CD1-CE2 3.99Å; I226-Y233 HydrophobicContact CG1-CD2 4.42Å; I226-Y233 HydrophobicContact CG1-CE2 4.19Å; I226-K284 HydrophobicContact CD1-CG 4.43Å; I226-K284 HydrophobicContact CG1-CG 4.41Å; I226-E288 WeakPolarHBondContact CG2-O 3.33Å; I226-I291 HydrophobicContact CD1-CG2 3.62Å; I226-I291 HydrophobicContact CG1-CG2 4.44Å
227	P	90.6	Very high	91.1	Very high	67 Å²	67	28.9 Å²	28.9	44%	0.435	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-62.5	-33.2	178.9	-25.2	35.6	0	0	0	113.7	I225 T229 S230	I225-P227 HydrophobicContact CG2-CG 4.41Å; P227-T229 PolarHBondContact O-N 3.43Å; P227-S230 PolarHBondContact O-N 2.94Å; P227-S230 VanDerWaalsContact O-N 3.09Å
228	K	90	Very high	92	Very high	121 Å²	121	26.7 Å²	26.7	53%	0.526	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-62.3	-26.1	-178.3	-60.2	-172.8	-166.2	168.1	0	113.5	I226 D287 E288 R289	I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 HydrophobicContact CG2-CB 4.32Å; I226-K228 PolarHBondContact O-N 3.15Å; K228-D287 PolarHBondContact NZ-O 3.23Å; K228-E288 HydrophobicContact CD-CB 4.23Å; K228-E288 WeakPolarHBondContact CD-O 3.46Å; K228-E288 VanDerWaalsContact CE-OE2 3.27Å; K228-E288 WeakPolarHBondContact CE-OE2 3.04Å; K228-E288 IonicContact NZ-OE2 2.7Å; K228-E288 PolarHBondContact NZ-OE2 2.88Å; K228-R289 HydrophobicContact CD-CG 4.47Å
229	T	90.7	Very high	92.5	Very high	46 Å²	46	26.9 Å²	26.9	28%	0.282	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-115.9	11.4	176.4	55.6	0	0	0	0	112.3	I226 P227 S231 R289	I226-T229 HydrophobicContact CG2-CG2 4.44Å; I226-T229 VanDerWaalsContact CG2-OG1 3.23Å; I226-T229 WeakPolarHBondContact CG2-OG1 3.45Å; I226-T229 PolarHBondContact O-N 3.05Å; P227-T229 PolarHBondContact O-N 3.43Å; T229-S231 PolarHBondContact O-N 3Å; T229-S231 PolarHBondContact O-OG 2.87Å; T229-R289 HydrophobicContact CG2-CB 4.34Å; T229-R289 WeakPolarHBondContact CG2-O 3.46Å
230	S	92.5	Very high	92.7	Very high	35 Å²	35	24.5 Å²	24.5	25%	0.245	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.1	35.1	-172.8	-64.6	0	0	0	0	114.2	I226 P227 M246	I226-S230 PolarHBondContact O-N 3.18Å; I226-S230 VanDerWaalsContact O-N 3.12Å; P227-S230 PolarHBondContact O-N 2.94Å; P227-S230 VanDerWaalsContact O-N 3.09Å; S230-M246 WeakPolarHBondContact O-CB 3.3Å; S230-M246 PolarHBondContact O-N 3.14Å
231	S	93.9	Very high	92.8	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.4	-173	-64.9	0	0	0	0	111.8	I226 T229 L244	I226-S231 PolarHBondContact N-O 2.91Å; I226-S231 PolarHBondContact O-N 3.13Å; I226-S231 VanDerWaalsContact O-N 3.09Å; T229-S231 PolarHBondContact O-N 3Å; T229-S231 PolarHBondContact O-OG 2.87Å; S231-L244 WeakPolarHBondContact CA-O 3.26Å
232	I	95.5	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.4	169.9	-54.7	-178	0	0	0	108.6	M223 I225 L234 L244 M246 F249 L773	M223-I232 HydrophobicContact CG-CG2 3.99Å; M223-I232 HydrophobicContact SD-CG2 4.27Å; I225-I232 HydrophobicContact CG1-CD1 4.43Å; I225-I232 HydrophobicContact CG1-CG1 4.15Å; I225-I232 HydrophobicContact CG1-CG2 4.37Å; I225-I232 HydrophobicContact CG2-CG1 4.3Å; I232-L234 HydrophobicContact CG2-CD2 4.18Å; I232-L234 HydrophobicContact CG2-CG 4.44Å; I232-L244 HydrophobicContact CB-CB 4.48Å; I232-L244 PolarHBondContact N-O 2.73Å; I232-L244 PolarHBondContact O-N 2.78Å; I232-M246 HydrophobicContact CD1-CB 4.31Å; I232-M246 HydrophobicContact CD1-CG 4.19Å; I232-M246 HydrophobicContact CG1-CB 4.06Å; I232-M246 HydrophobicContact CG1-CG 4.21Å; I232-F249 HydrophobicContact CD1-CD1 4.27Å; I232-F249 HydrophobicContact CD1-CE1 3.69Å; I232-L773 HydrophobicContact CD1-CD2 4.28Å; I232-L773 HydrophobicContact CG2-CD2 4.22Å
233	Y	96.4	Very high	93.1	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130	177	-61.9	-87.3	0	0	0	110.3	M223 I224 I226 L242 K243 I291 L321	M223-Y233 CarbonylContact C-O 3.58Å; M223-Y233 VanDerWaalsContact CA-O 3.27Å; M223-Y233 WeakPolarHBondContact CA-O 3.39Å; I224-Y233 PolarHBondContact N-O 2.91Å; I224-Y233 PolarHBondContact O-N 3.43Å; I226-Y233 HydrophobicContact CD1-CD2 4.48Å; I226-Y233 HydrophobicContact CD1-CE2 3.99Å; I226-Y233 HydrophobicContact CG1-CD2 4.42Å; I226-Y233 HydrophobicContact CG1-CE2 4.19Å; Y233-L242 VanDerWaalsContact CA-O 3.27Å; Y233-L242 WeakPolarHBondContact CA-O 3.47Å; Y233-K243 HydrophobicContact CD1-CB 4.04Å; Y233-K243 HydrophobicContact CD1-CG 4.29Å; Y233-K243 HydrophobicContact CE1-CB 3.87Å; Y233-K243 HydrophobicContact CE1-CD 4.15Å; Y233-K243 HydrophobicContact CE1-CG 3.75Å; Y233-I291 HydrophobicContact CD1-CD1 3.48Å; Y233-I291 VanDerWaalsContact CD1-CD1 3.48Å; Y233-I291 HydrophobicContact CD1-CG1 4.25Å; Y233-I291 HydrophobicContact CD2-CD1 4.44Å; Y233-I291 HydrophobicContact CD2-CG2 3.58Å; Y233-I291 HydrophobicContact CE1-CD1 3.72Å; Y233-I291 HydrophobicContact CE1-CG1 4.09Å; Y233-I291 HydrophobicContact CE2-CG1 4.49Å; Y233-I291 HydrophobicContact CE2-CG2 3.77Å; Y233-I291 HydrophobicContact CG-CD1 3.85Å; Y233-I291 HydrophobicContact CG-CG1 4.49Å; Y233-I291 HydrophobicContact CG-CG2 4Å; Y233-L321 HydrophobicContact CD1-CD2 4.42Å; Y233-L321 HydrophobicContact CE1-CD2 4.04Å
234	L	95.5	Very high	93.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.9	-179.4	-61.8	-179.5	0	0	0	111.7	F210 F220 Q222 M223 I232 L241 L242 L244 M768 L773	F210-L234 HydrophobicContact CD1-CD1 4.21Å; F210-L234 HydrophobicContact CE1-CD1 4.26Å; F220-L234 HydrophobicContact CD1-CB 4.39Å; F220-L234 HydrophobicContact CD1-CD1 4.35Å; F220-L234 HydrophobicContact CE1-CD1 4.11Å; F220-L234 HydrophobicContact CZ-CD1 4.37Å; Q222-L234 WeakPolarHBondContact O-CA 3.49Å; M223-L234 HydrophobicContact CB-CD2 3.69Å; M223-L234 HydrophobicContact CG-CD2 3.65Å; M223-L234 HydrophobicContact SD-CD2 4.14Å; I232-L234 HydrophobicContact CG2-CD2 4.18Å; I232-L234 HydrophobicContact CG2-CG 4.44Å; L234-L241 CarbonylContact O-C 3.58Å; L234-L241 WeakPolarHBondContact O-CA 3.49Å; L234-L242 HydrophobicContact CB-CB 4.34Å; L234-L242 PolarHBondContact N-O 3.11Å; L234-L242 PolarHBondContact O-N 3.2Å; L234-L244 HydrophobicContact CD1-CD1 3.73Å; L234-L244 HydrophobicContact CG-CD1 4.39Å; L234-M768 HydrophobicContact CD2-SD 4.07Å; L234-L773 HydrophobicContact CD1-CB 4.34Å; L234-L773 HydrophobicContact CD1-CD2 4.13Å; L234-L773 HydrophobicContact CD2-CD2 4.4Å
235	V	94.3	Very high	93.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.4	170.5	-179.9	0	0	0	0	110.3	F220 S221 Q222 T240 L241 I279 L282	F220-V235 WeakPolarHBondContact CA-O 3.29Å; S221-V235 PolarHBondContact N-O 2.9Å; S221-V235 WeakPolarHBondContact OG-CG1 3Å; S221-V235 PolarHBondContact OG-O 2.86Å; Q222-V235 HydrophobicContact CB-CB 4.04Å; Q222-V235 HydrophobicContact CB-CG2 3.91Å; Q222-V235 HydrophobicContact CG-CB 4.39Å; Q222-V235 HydrophobicContact CG-CG2 4.39Å; Q222-V235 PolarHBondContact O-N 3.01Å; V235-T240 CarbonylContact C-O 3.59Å; V235-T240 WeakPolarHBondContact CA-O 3.35Å; V235-L241 HydrophobicContact CG2-CD1 4.27Å; V235-I279 HydrophobicContact CG1-CB 3.96Å; V235-I279 HydrophobicContact CG1-CD1 4.22Å; V235-I279 HydrophobicContact CG1-CG2 4.28Å; V235-I279 HydrophobicContact CG2-CB 4.46Å; V235-I279 HydrophobicContact CG2-CD1 4.36Å; V235-I279 HydrophobicContact CG2-CG2 3.91Å; V235-L282 HydrophobicContact CG2-CB 4.14Å; V235-L282 HydrophobicContact CG2-CD2 3.98Å
236	K	92.3	Very high	93.1	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.022	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.3	174.5	170.2	171.7	163.9	166.9	0	111	D212 D214 N218 F220 R238 G239 T240	D212-K236 HydrophobicContact CB-CD 4.38Å; D212-K236 VanDerWaalsContact CG-NZ 3.26Å; D212-K236 IonicContact OD1-NZ 2.98Å; D212-K236 WeakPolarHBondContact OD2-CD 3.49Å; D212-K236 WeakPolarHBondContact OD2-CE 3.41Å; D212-K236 IonicContact OD2-NZ 2.75Å; D212-K236 PolarHBondContact OD2-NZ 2.89Å; D214-K236 IonicContact OD2-NZ 3.62Å; D214-K236 PolarHBondContact OD2-NZ 2.96Å; N218-K236 WeakPolarHBondContact OD1-CE 3.4Å; N218-K236 PolarHBondContact OD1-NZ 3.14Å; F220-K236 HydrophobicContact CD1-CB 3.87Å; F220-K236 HydrophobicContact CE1-CB 3.83Å; F220-K236 HydrophobicContact CE1-CD 4.33Å; F220-K236 HydrophobicContact CE1-CG 4.32Å; K236-R238 PolarHBondContact O-N 3.21Å; K236-G239 PolarHBondContact O-N 2.93Å; K236-T240 PolarHBondContact N-O 3.28Å; K236-T240 PolarHBondContact O-N 3.3Å
237	N	89.9	Confident	92.9	Very high	70 Å²	70	33 Å²	33	37%	0.374	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	25.2	171	-62.7	5.1	0	0	0	113.8	N217 N219 G239	N217-N237 PolarHBondContact O-ND2 3.08Å; N217-N237 PolarHBondContact O-OD1 3.12Å; N219-N237 WeakPolarHBondContact CB-OD1 3.02Å; N219-N237 PolarHBondContact N-OD1 3.14Å; N219-N237 PolarHBondContact O-N 2.93Å; N237-G239 PolarHBondContact O-N 3.18Å
238	R	88.4	Confident	93	Very high	52 Å²	52	33.4 Å²	33.4	20%	0.196	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-22.3	-171.8	-60.6	-178.7	178.4	-174.6	3	116.9	K236 E278 I279 D339	K236-R238 PolarHBondContact O-N 3.21Å; R238-E278 HydrophobicContact CB-CB 4.03Å; R238-E278 HydrophobicContact CB-CG 3.91Å; R238-E278 WeakPolarHBondContact CD-OE1 3.41Å; R238-E278 WeakPolarHBondContact CD-OE2 3.32Å; R238-E278 IonicContact CZ-OE2 2.72Å; R238-E278 IonicContact NE-OE2 3.59Å; R238-E278 IonicContact NH1-OE1 3.9Å; R238-E278 IonicContact NH1-OE2 3.72Å; R238-E278 PolarHBondContact NH1-OE2 3.2Å; R238-E278 VanDerWaalsContact NH1-OE2 3.07Å; R238-I279 WeakPolarHBondContact O-CB 3.44Å; R238-I279 WeakPolarHBondContact O-CG1 3.44Å; R238-I279 PolarHBondContact O-N 2.98Å; R238-D339 IonicContact CZ-OD1 3.15Å; R238-D339 IonicContact CZ-OD2 2.78Å; R238-D339 IonicContact NH1-OD1 2.85Å; R238-D339 IonicContact NH1-OD2 2.83Å; R238-D339 PolarHBondContact NH1-OD2 3.14Å; R238-D339 VanDerWaalsContact NH2-CG 3.29Å; R238-D339 IonicContact NH2-OD1 2.84Å; R238-D339 PolarHBondContact NH2-OD1 3.08Å; R238-D339 IonicContact NH2-OD2 2.74Å
239	G	89.9	Confident	93.2	Very high	15 Å²	15	28 Å²	28	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-21.1	178.5	0	0	0	0	0	115.7	K236 N237 T256 L257	K236-G239 PolarHBondContact O-N 2.93Å; N237-G239 PolarHBondContact O-N 3.18Å; G239-T256 WeakPolarHBondContact O-CA 3.29Å; G239-L257 PolarHBondContact O-N 3.44Å
240	T	93.4	Very high	93.4	Very high	16 Å²	16	31.4 Å²	31.4	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.5	-168.6	-56.8	0	0	0	0	112.1	V235 K236 L242 K254 Y255 T256	V235-T240 CarbonylContact C-O 3.59Å; V235-T240 WeakPolarHBondContact CA-O 3.35Å; K236-T240 PolarHBondContact N-O 3.28Å; K236-T240 PolarHBondContact O-N 3.3Å; T240-L242 HydrophobicContact CG2-CD2 3.68Å; T240-L242 HydrophobicContact CG2-CG 4.49Å; T240-K254 HydrophobicContact CG2-CG 4.08Å; T240-Y255 CarbonylContact C-O 3.51Å; T240-Y255 WeakPolarHBondContact CA-O 3.48Å; T240-T256 WeakPolarHBondContact CG2-OG1 3.46Å; T240-T256 WeakPolarHBondContact OG1-CG2 3.48Å; T240-T256 PolarHBondContact OG1-OG1 3.43Å
241	L	95.3	Very high	93.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	171.7	-179	67.5	0	0	0	109.7	L234 V235 Y255 I279 L282 I291 I293 L321	L234-L241 CarbonylContact O-C 3.58Å; L234-L241 WeakPolarHBondContact O-CA 3.49Å; V235-L241 HydrophobicContact CG2-CD1 4.27Å; L241-Y255 PolarHBondContact N-O 3.41Å; L241-Y255 PolarHBondContact O-N 2.97Å; L241-I279 HydrophobicContact CB-CD1 4.01Å; L241-L282 HydrophobicContact CD1-CD1 4.15Å; L241-L282 HydrophobicContact CD1-CD2 4.24Å; L241-I291 HydrophobicContact CD1-CD1 4.42Å; L241-I291 HydrophobicContact CD2-CD1 3.82Å; L241-I293 HydrophobicContact CD2-CD1 4.29Å; L241-I293 HydrophobicContact CD2-CG2 4.16Å; L241-L321 HydrophobicContact CB-CD1 4.49Å; L241-L321 HydrophobicContact CD2-CD1 4.02Å; L241-L321 HydrophobicContact CD2-CD2 3.74Å; L241-L321 HydrophobicContact CD2-CG 4.36Å; L241-L321 HydrophobicContact CG-CD1 3.95Å; L241-L321 HydrophobicContact CG-CD2 4.47Å
242	L	95.3	Very high	93.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.2	174.3	-49.5	-178.3	0	0	0	110.1	F210 D212 F220 Y233 L234 T240 L244 K254	F210-L242 HydrophobicContact CE1-CD1 3.98Å; F210-L242 HydrophobicContact CZ-CD1 4.08Å; D212-L242 HydrophobicContact CB-CD1 4.37Å; F220-L242 HydrophobicContact CE1-CD1 4Å; Y233-L242 VanDerWaalsContact CA-O 3.27Å; Y233-L242 WeakPolarHBondContact CA-O 3.47Å; L234-L242 HydrophobicContact CB-CB 4.34Å; L234-L242 PolarHBondContact N-O 3.11Å; L234-L242 PolarHBondContact O-N 3.2Å; T240-L242 HydrophobicContact CG2-CD2 3.68Å; T240-L242 HydrophobicContact CG2-CG 4.49Å; L242-L244 HydrophobicContact CB-CD2 4.42Å; L242-K254 HydrophobicContact CD2-CB 3.87Å; L242-K254 HydrophobicContact CD2-CD 3.68Å; L242-K254 HydrophobicContact CD2-CG 3.49Å; L242-K254 VanDerWaalsContact CD2-CG 3.49Å
243	K	96.2	Very high	93.3	Very high	25 Å²	25	39.2 Å²	39.2	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.6	167.4	175.8	-169.1	170.9	-165.4	0	108.9	Y233 H252 D253 V318 L321	Y233-K243 HydrophobicContact CD1-CB 4.04Å; Y233-K243 HydrophobicContact CD1-CG 4.29Å; Y233-K243 HydrophobicContact CE1-CB 3.87Å; Y233-K243 HydrophobicContact CE1-CD 4.15Å; Y233-K243 HydrophobicContact CE1-CG 3.75Å; K243-H252 HydrophobicContact CD-CB 4.13Å; K243-H252 HydrophobicContact CG-CB 4.3Å; K243-H252 PolarHBondContact O-N 2.85Å; K243-D253 HydrophobicContact CB-CB 4.15Å; K243-D253 HydrophobicContact CD-CB 4.37Å; K243-D253 PolarHBondContact N-O 3.07Å; K243-D253 PolarHBondContact O-N 3.16Å; K243-V318 PolarHBondContact NZ-O 3.37Å; K243-L321 HydrophobicContact CB-CD1 3.98Å
244	L	95.5	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.7	178.6	-47	-179.1	0	0	0	110.9	F210 S231 I232 L234 L242 E250 Q251 L773	F210-L244 HydrophobicContact CB-CD1 4.35Å; F210-L244 HydrophobicContact CD1-CD1 3.64Å; F210-L244 HydrophobicContact CD2-CD1 3.97Å; F210-L244 HydrophobicContact CD2-CD2 4.21Å; F210-L244 HydrophobicContact CE1-CD1 3.86Å; F210-L244 HydrophobicContact CE1-CD2 4.21Å; F210-L244 HydrophobicContact CE2-CD1 4.19Å; F210-L244 HydrophobicContact CE2-CD2 3.7Å; F210-L244 HydrophobicContact CG-CD1 3.7Å; F210-L244 HydrophobicContact CZ-CD1 4.14Å; F210-L244 HydrophobicContact CZ-CD2 3.7Å; S231-L244 WeakPolarHBondContact CA-O 3.26Å; I232-L244 HydrophobicContact CB-CB 4.48Å; I232-L244 PolarHBondContact N-O 2.73Å; I232-L244 PolarHBondContact O-N 2.78Å; L234-L244 HydrophobicContact CD1-CD1 3.73Å; L234-L244 HydrophobicContact CG-CD1 4.39Å; L242-L244 HydrophobicContact CB-CD2 4.42Å; L244-E250 CarbonylContact C-O 3.6Å; L244-E250 VanDerWaalsContact CA-O 3.27Å; L244-E250 WeakPolarHBondContact CA-O 3.17Å; L244-Q251 HydrophobicContact CD2-CB 3.73Å; L244-Q251 HydrophobicContact CD2-CG 3.96Å; L244-L773 HydrophobicContact CD1-CD2 4.12Å
245	D	94.7	Very high	93.2	Very high	26 Å²	26	44 Å²	44	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.3	164.3	177.2	-108.4	0	0	0	111.6	R247 T248 F249 E250	D245-R247 VanDerWaalsContact C-N 3.3Å; D245-R247 PolarHBondContact O-N 3.42Å; D245-R247 VanDerWaalsContact OD1-CA 3.22Å; D245-R247 WeakPolarHBondContact OD1-CA 3.32Å; D245-R247 WeakPolarHBondContact OD1-CB 3.27Å; D245-R247 PolarHBondContact OD1-N 2.98Å; D245-T248 PolarHBondContact OD1-N 2.77Å; D245-T248 PolarHBondContact OD1-OG1 2.88Å; D245-F249 VanDerWaalsContact O-CA 3.24Å; D245-F249 WeakPolarHBondContact O-CA 3.41Å; D245-F249 PolarHBondContact O-N 2.74Å; D245-E250 PolarHBondContact N-O 3.46Å
246	M	91.4	Very high	93.1	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.133	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.4	-178.3	-174.8	177	67.3	0	0	113.5	I225 S230 I232 R775	I225-M246 HydrophobicContact CG2-CG 4.39Å; I225-M246 HydrophobicContact CG2-SD 3.59Å; I225-M246 VanDerWaalsContact CG2-SD 3.59Å; S230-M246 WeakPolarHBondContact O-CB 3.3Å; S230-M246 PolarHBondContact O-N 3.14Å; I232-M246 HydrophobicContact CD1-CB 4.31Å; I232-M246 HydrophobicContact CD1-CG 4.19Å; I232-M246 HydrophobicContact CG1-CB 4.06Å; I232-M246 HydrophobicContact CG1-CG 4.21Å; M246-R775 PolarHBondContact O-NH1 2.7Å
247	R	90.2	Very high	93.1	Very high	178 Å²	178	47.8 Å²	47.8	67%	0.672	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-42.7	-176.3	-54.8	179.6	174.6	-163	-1.5	113.2	D245 R775	D245-R247 VanDerWaalsContact C-N 3.3Å; D245-R247 PolarHBondContact O-N 3.42Å; D245-R247 VanDerWaalsContact OD1-CA 3.22Å; D245-R247 WeakPolarHBondContact OD1-CA 3.32Å; D245-R247 WeakPolarHBondContact OD1-CB 3.27Å; D245-R247 PolarHBondContact OD1-N 2.98Å; R247-R775 VanDerWaalsContact C-NH1 3.27Å; R247-R775 VanDerWaalsContact O-CZ 3.25Å; R247-R775 PolarHBondContact O-NH1 2.63Å; R247-R775 PolarHBondContact O-NH2 2.74Å
248	T	92.5	Very high	92.8	Very high	75 Å²	75	48.1 Å²	48.1	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-22.1	-179.9	61.4	0	0	0	0	113.4	D245 E250	D245-T248 PolarHBondContact OD1-N 2.77Å; D245-T248 PolarHBondContact OD1-OG1 2.88Å; T248-E250 PolarHBondContact O-N 3.32Å; T248-E250 WeakPolarHBondContact OG1-CB 3.17Å; T248-E250 PolarHBondContact OG1-N 2.88Å; T248-E250 VanDerWaalsContact OG1-N 3.08Å
249	F	93.7	Very high	91.9	Very high	8 Å²	8	51 Å²	51	4%	0.035	26%	0.26	C	S	.	.			trans	60.1	18.8	-162.3	-64.7	-18.9	0	0	0	114.6	I208 F210 I232 D245 Q251 L773 R775	I208-F249 HydrophobicContact CB-CD2 4.29Å; I208-F249 HydrophobicContact CB-CE2 4.5Å; I208-F249 HydrophobicContact CG2-CD2 3.83Å; I208-F249 HydrophobicContact CG2-CE2 4.48Å; I208-F249 HydrophobicContact CG2-CG 4.45Å; F210-F249 HydrophobicContact CB-CB 3.92Å; F210-F249 HydrophobicContact CB-CD2 3.58Å; F210-F249 HydrophobicContact CB-CE2 4.23Å; F210-F249 HydrophobicContact CB-CG 4.02Å; F210-F249 HydrophobicContact CD2-CB 4.37Å; F210-F249 WeakPolarHBondContact CD2-O 3.25Å; I232-F249 HydrophobicContact CD1-CD1 4.27Å; I232-F249 HydrophobicContact CD1-CE1 3.69Å; D245-F249 VanDerWaalsContact O-CA 3.24Å; D245-F249 WeakPolarHBondContact O-CA 3.41Å; D245-F249 PolarHBondContact O-N 2.74Å; F249-Q251 PolarHBondContact O-N 3.28Å; F249-L773 HydrophobicContact CD1-CD2 4.32Å; F249-L773 HydrophobicContact CE1-CD2 3.77Å; F249-L773 HydrophobicContact CE1-CG 4.31Å; F249-L773 HydrophobicContact CE2-CD2 4.19Å; F249-L773 HydrophobicContact CE2-CG 4.01Å; F249-L773 HydrophobicContact CZ-CD2 3.65Å; F249-L773 HydrophobicContact CZ-CG 3.67Å; F249-R775 HydrophobicContact CE1-CB 4.18Å; F249-R775 HydrophobicContact CE2-CB 4.09Å; F249-R775 HydrophobicContact CZ-CB 3.53Å
250	E	93.9	Very high	90.5	Very high	118 Å²	118	51.8 Å²	51.8	55%	0.551	26%	0.263	S	S	*	.			trans	-61.7	133.1	170.4	-175.3	179.3	166.3	0	0	110.3	L244 D245 T248 H252	L244-E250 CarbonylContact C-O 3.6Å; L244-E250 VanDerWaalsContact CA-O 3.27Å; L244-E250 WeakPolarHBondContact CA-O 3.17Å; D245-E250 PolarHBondContact N-O 3.46Å; T248-E250 PolarHBondContact O-N 3.32Å; T248-E250 WeakPolarHBondContact OG1-CB 3.17Å; T248-E250 PolarHBondContact OG1-N 2.88Å; T248-E250 VanDerWaalsContact OG1-N 3.08Å; E250-H252 PolarHBondContact O-N 2.04Å
251	Q	93.2	Very high	88.5	Confident	75 Å²	75	58.7 Å²	58.7	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.5	179.4	-177	-175.5	-97.6	0	0	110	L244 F249	L244-Q251 HydrophobicContact CD2-CB 3.73Å; L244-Q251 HydrophobicContact CD2-CG 3.96Å; F249-Q251 PolarHBondContact O-N 3.28Å
252	H	92.4	Very high	86.3	Confident	95 Å²	95	66.1 Å²	66.1	44%	0.44	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-32.3	175.1	-69.5	-39.6	0	0	0	113.1	K243 E250	K243-H252 HydrophobicContact CD-CB 4.13Å; K243-H252 HydrophobicContact CG-CB 4.3Å; K243-H252 PolarHBondContact O-N 2.85Å; E250-H252 PolarHBondContact O-N 2.04Å
253	D	94.7	Very high	84	Confident	34 Å²	34	70.3 Å²	70.3	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155.8	-177.9	-163.6	5.8	0	0	0	113.1	K243 N320 L321	K243-D253 HydrophobicContact CB-CB 4.15Å; K243-D253 HydrophobicContact CD-CB 4.37Å; K243-D253 PolarHBondContact N-O 3.07Å; K243-D253 PolarHBondContact O-N 3.16Å; D253-N320 WeakPolarHBondContact OD2-CA 3.38Å; D253-L321 HydrophobicContact CB-CD1 4.1Å; D253-L321 HydrophobicContact CB-CG 4.23Å; D253-L321 VanDerWaalsContact OD2-CB 3.25Å; D253-L321 WeakPolarHBondContact OD2-CB 3.12Å; D253-L321 VanDerWaalsContact OD2-CG 3.27Å; D253-L321 WeakPolarHBondContact OD2-CG 3.45Å; D253-L321 PolarHBondContact OD2-N 3.4Å
254	K	94.3	Very high	81.9	Confident	68 Å²	68	71.5 Å²	71.5	30%	0.296	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	102.2	-176.2	175.4	162.4	-177.8	172.9	0	110.1	D212 D214 T240 L242	D212-K254 IonicContact OD1-NZ 3.78Å; D212-K254 PolarHBondContact OD1-NZ 2.81Å; D212-K254 IonicContact OD2-NZ 3.73Å; D212-K254 PolarHBondContact OD2-NZ 2.78Å; D214-K254 IonicContact OD1-NZ 3.55Å; D214-K254 IonicContact OD2-NZ 2.89Å; D214-K254 PolarHBondContact OD2-NZ 3.41Å; T240-K254 HydrophobicContact CG2-CG 4.08Å; L242-K254 HydrophobicContact CD2-CB 3.87Å; L242-K254 HydrophobicContact CD2-CD 3.68Å; L242-K254 HydrophobicContact CD2-CG 3.49Å; L242-K254 VanDerWaalsContact CD2-CG 3.49Å
255	Y	94.9	Very high	79.9	Confident	38 Å²	38	75.4 Å²	75.4	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.3	174.2	171.8	-112.9	0	0	0	111.2	T240 L241 L257 P258 M314 L321 A322	T240-Y255 CarbonylContact C-O 3.51Å; T240-Y255 WeakPolarHBondContact CA-O 3.48Å; L241-Y255 PolarHBondContact N-O 3.41Å; L241-Y255 PolarHBondContact O-N 2.97Å; Y255-L257 HydrophobicContact CE1-CD2 4Å; Y255-P258 WeakPolarHBondContact OH-CD 3.35Å; Y255-M314 HydrophobicContact CE1-CE 3.59Å; Y255-L321 VanDerWaalsContact CB-CB 3.48Å; Y255-L321 HydrophobicContact CG-CB 4.35Å; Y255-A322 VanDerWaalsContact CD2-CA 3.46Å; Y255-A322 HydrophobicContact CD2-CB 3.45Å; Y255-A322 VanDerWaalsContact CD2-CB 3.45Å; Y255-A322 HydrophobicContact CE2-CB 3.78Å; Y255-A322 HydrophobicContact CG-CB 4.33Å
256	T	93.7	Very high	78.2	Confident	73 Å²	73	78.6 Å²	78.6	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.2	172.5	-59.8	0	0	0	0	109.4	G239 T240	G239-T256 WeakPolarHBondContact O-CA 3.29Å; T240-T256 WeakPolarHBondContact CG2-OG1 3.46Å; T240-T256 WeakPolarHBondContact OG1-CG2 3.48Å; T240-T256 PolarHBondContact OG1-OG1 3.43Å
257	L	90.9	Very high	77	Confident	10 Å²	10	78.2 Å²	78.2	5%	0.052	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-55.1	134.3	176	-70.6	175.1	0	0	0	110	G239 Y255 T259 K277 I279 Y295 M314	G239-L257 PolarHBondContact O-N 3.44Å; Y255-L257 HydrophobicContact CE1-CD2 4Å; L257-T259 PolarHBondContact O-N 2.96Å; L257-K277 HydrophobicContact CB-CB 4.27Å; L257-K277 HydrophobicContact CD1-CB 4.04Å; L257-I279 HydrophobicContact CD1-CG1 3.6Å; L257-I279 HydrophobicContact CG-CG1 4.06Å; L257-Y295 HydrophobicContact CD1-CG 4.34Å; L257-Y295 HydrophobicContact CD2-CD1 3.8Å; L257-Y295 HydrophobicContact CD2-CE1 4.46Å; L257-Y295 HydrophobicContact CD2-CG 4.07Å; L257-M314 HydrophobicContact CD2-CE 4.49Å
258	P	85.4	Confident	75.6	Confident	78 Å²	78	74 Å²	74	51%	0.506	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-62.3	128.7	179.6	24.8	-33.7	0	0	0	110.4	Y255	Y255-P258 WeakPolarHBondContact OH-CD 3.35Å
259	T	69.3	Low	74	Confident	113 Å²	113	77.9 Å²	77.9	69%	0.693	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-56.8	138.7	168.3	45.1	0	0	0	0	109.3	L257 L261	L257-T259 PolarHBondContact O-N 2.96Å; T259-L261 VanDerWaalsContact C-N 3.28Å; T259-L261 PolarHBondContact O-N 3.08Å
260	S	59.5	Low	72.4	Confident	30 Å²	30	79.6 Å²	79.6	21%	0.21	43%	0.432	C	S	.	.			trans	-75.5	82	-174.5	-160.5	0	0	0	0	111.4	K262 S275	S260-K262 PolarHBondContact O-N 3.22Å; S260-S275 WeakPolarHBondContact CB-OG 3.29Å
261	L	52.4	Low	71	Confident	161 Å²	161	86.5 Å²	86.5	84%	0.843	45%	0.454	S	S	*	.			trans	-65.4	-11.7	173.2	-78.7	157.1	0	0	0	113	T259 S263	T259-L261 VanDerWaalsContact C-N 3.28Å; T259-L261 PolarHBondContact O-N 3.08Å; L261-S263 PolarHBondContact O-N 3.01Å; L261-S263 VanDerWaalsContact O-N 3.08Å
262	K	49.1	Very low	69.8	Low	156 Å²	156	84.4 Å²	84.4	68%	0.678	45%	0.447	S	S	*	.			trans	-68.1	103.4	165.6	-73.6	-172	179.1	-179.2	0	109.1	S260 V264	S260-K262 PolarHBondContact O-N 3.22Å; K262-V264 HydrophobicContact CB-CG2 4.49Å; K262-V264 PolarHBondContact O-N 3.21Å
263	S	46.1	Very low	68.8	Low	89 Å²	89	80.7 Å²	80.7	62%	0.622	43%	0.431	S	S	*	.			trans	-69.4	75.7	164.9	52	0	0	0	0	109.8	L261 S265 N268	L261-S263 PolarHBondContact O-N 3.01Å; L261-S263 VanDerWaalsContact O-N 3.08Å; S263-S265 PolarHBondContact O-N 3.16Å; S263-N268 VanDerWaalsContact C-OD1 3.3Å; S263-N268 VanDerWaalsContact CB-OD1 3.25Å; S263-N268 WeakPolarHBondContact CB-OD1 3.21Å; S263-N268 PolarHBondContact O-ND2 2.89Å; S263-N268 VanDerWaalsContact O-ND2 3.12Å; S263-N268 PolarHBondContact O-OD1 2.69Å; S263-N268 VanDerWaalsContact O-OD1 3.11Å
264	V	52.9	Low	67.7	Low	50 Å²	50	84.2 Å²	84.2	30%	0.303	45%	0.447	S	S	.	.			trans	-53.2	133.5	176.1	-175.7	0	0	0	0	108.3	K262 E266 C267 N268	K262-V264 HydrophobicContact CB-CG2 4.49Å; K262-V264 PolarHBondContact O-N 3.21Å; V264-E266 HydrophobicContact CG1-CB 4.18Å; V264-E266 HydrophobicContact CG1-CG 4.11Å; V264-E266 PolarHBondContact O-N 3.01Å; V264-C267 PolarHBondContact O-N 3.1Å; V264-N268 PolarHBondContact O-N 2.84Å; V264-N268 PolarHBondContact O-OD1 3.26Å
265	S	53.7	Low	66.8	Low	81 Å²	81	82.6 Å²	82.6	57%	0.566	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.5	-176.1	46.1	0	0	0	0	113.8	S263	S263-S265 PolarHBondContact O-N 3.16Å
266	E	58.5	Low	66	Low	94 Å²	94	84.8 Å²	84.8	44%	0.439	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.6	174.1	-57.2	-177.2	168	0	0	113.9	V264	V264-E266 HydrophobicContact CG1-CB 4.18Å; V264-E266 HydrophobicContact CG1-CG 4.11Å; V264-E266 PolarHBondContact O-N 3.01Å
267	C	65.6	Low	65.8	Low	18 Å²	18	83.4 Å²	83.4	12%	0.122	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-25.4	175.5	-88.4	0	0	0	0	113.1	V264 N269 S270 C273	V264-C267 PolarHBondContact O-N 3.1Å; C267-N269 PolarHBondContact O-N 3.12Å; C267-S270 PolarHBondContact O-N 3.1Å; C267-C273 WeakPolarHBondContact CA-SG 3.47Å; C267-C273 HydrophobicContact CB-CB 3.63Å; C267-C273 WeakPolarHBondContact CB-SG 3.17Å; C267-C273 WeakPolarHBondContact SG-CB 3.07Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.21Å
268	N	60.1	Low	65.7	Low	91 Å²	91	84 Å²	84	49%	0.487	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.9	-170.1	-69.6	-5.3	0	0	0	114.4	S263 V264	S263-N268 VanDerWaalsContact C-OD1 3.3Å; S263-N268 VanDerWaalsContact CB-OD1 3.25Å; S263-N268 WeakPolarHBondContact CB-OD1 3.21Å; S263-N268 PolarHBondContact O-ND2 2.89Å; S263-N268 VanDerWaalsContact O-ND2 3.12Å; S263-N268 PolarHBondContact O-OD1 2.69Å; S263-N268 VanDerWaalsContact O-OD1 3.11Å; V264-N268 PolarHBondContact O-N 2.84Å; V264-N268 PolarHBondContact O-OD1 3.26Å
269	N	58.9	Low	66.1	Low	156 Å²	156	80.3 Å²	80.3	83%	0.834	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	9.5	-178.9	-64.1	-27	0	0	0	114.1	C267	C267-N269 PolarHBondContact O-N 3.12Å
270	S	60.5	Low	67.2	Low	44 Å²	44	75 Å²	75	31%	0.308	39%	0.39	S	S	.	.			trans	-146	118.9	176	-166.7	0	0	0	0	114.2	C267 S272 C273	C267-S270 PolarHBondContact O-N 3.1Å; S270-S272 PolarHBondContact O-N 3.01Å; S270-S272 PolarHBondContact OG-N 3.15Å; S270-S272 PolarHBondContact OG-OG 3.44Å; S270-C273 WeakPolarHBondContact O-CB 3.04Å; S270-C273 PolarHBondContact O-N 3.49Å; S270-C273 VanDerWaalsContact O-N 3.09Å
271	W	64	Low	68.8	Low	263 Å²	263	73.7 Å²	73.7	100%	0.996	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12	170.8	-55.4	-32.2	0	0	0	114.3
272	S	69.6	Low	70.7	Confident	30 Å²	30	66.5 Å²	66.5	21%	0.21	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.8	177.2	71.3	0	0	0	0	114.4	S270 Y301	S270-S272 PolarHBondContact O-N 3.01Å; S270-S272 PolarHBondContact OG-N 3.15Å; S270-S272 PolarHBondContact OG-OG 3.44Å; S272-Y301 WeakPolarHBondContact O-CA 3.39Å
273	C	70.8	Confident	72.9	Confident	17 Å²	17	59.3 Å²	59.3	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.5	-176.4	-158.4	0	0	0	0	111.2	C267 S270 S300 Y301	C267-C273 WeakPolarHBondContact CA-SG 3.47Å; C267-C273 HydrophobicContact CB-CB 3.63Å; C267-C273 WeakPolarHBondContact CB-SG 3.17Å; C267-C273 WeakPolarHBondContact SG-CB 3.07Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.21Å; S270-C273 WeakPolarHBondContact O-CB 3.04Å; S270-C273 PolarHBondContact O-N 3.49Å; S270-C273 VanDerWaalsContact O-N 3.09Å; C273-S300 WeakPolarHBondContact CA-O 3.39Å; C273-Y301 HydrophobicContact CB-CD1 4.12Å; C273-Y301 HydrophobicContact CB-CE1 3.81Å; C273-Y301 WeakPolarHBondContact SG-CE1 3.14Å; C273-Y301 PolarHBondContact SG-OH 2.88Å
274	H	72.2	Confident	75.2	Confident	109 Å²	109	56.2 Å²	56.2	51%	0.505	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.9	175.5	-58	-58.5	0	0	0	110.9	S300	H274-S300 PolarHBondContact N-O 3.14Å; H274-S300 PolarHBondContact O-N 3.2Å; H274-S300 PolarHBondContact O-OG 3.16Å
275	S	74.2	Confident	77	Confident	33 Å²	33	54.7 Å²	54.7	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.7	176.4	-169.9	0	0	0	0	110.5	S260 H298 H299	S260-S275 WeakPolarHBondContact CB-OG 3.29Å; S275-H298 WeakPolarHBondContact CA-O 3.37Å; S275-H299 PolarHBondContact OG-CE1 3.46Å; S275-H299 VanDerWaalsContact OG-CE1 3.26Å; S275-H299 PolarHBondContact OG-ND1 3.45Å
276	M	79.6	Confident	78.8	Confident	84 Å²	84	52.5 Å²	52.5	41%	0.414	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.6	-176.8	-65.4	179.4	61.8	0	0	110.5	T297 H298	M276-T297 CarbonylContact O-C 3.49Å; M276-T297 WeakPolarHBondContact O-CA 3.37Å; M276-H298 PolarHBondContact N-O 2.88Å; M276-H298 PolarHBondContact O-N 3.01Å
277	K	88.1	Confident	80.1	Confident	45 Å²	45	50.8 Å²	50.8	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.9	171.3	-59.5	-154.4	176.6	-149.5	0	109.6	L257 V296 T297 E310	L257-K277 HydrophobicContact CB-CB 4.27Å; L257-K277 HydrophobicContact CD1-CB 4.04Å; K277-V296 WeakPolarHBondContact CA-O 3.49Å; K277-T297 WeakPolarHBondContact CD-OG1 2.88Å; K277-T297 WeakPolarHBondContact CE-OG1 3.29Å; K277-T297 HydrophobicContact CG-CG2 4.09Å; K277-T297 PolarHBondContact NZ-OG1 3.02Å; K277-T297 VanDerWaalsContact NZ-OG1 3.15Å; K277-E310 WeakPolarHBondContact CE-OE2 3.39Å; K277-E310 IonicContact NZ-OE2 3.57Å; K277-E310 PolarHBondContact NZ-OE2 2.03Å
278	E	90.1	Very high	81.2	Confident	22 Å²	22	51 Å²	51	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130	-177.5	-66.1	-160.5	146.7	0	0	111.8	R238 S280 Y295 V296 H298 P338	R238-E278 HydrophobicContact CB-CB 4.03Å; R238-E278 HydrophobicContact CB-CG 3.91Å; R238-E278 WeakPolarHBondContact CD-OE1 3.41Å; R238-E278 WeakPolarHBondContact CD-OE2 3.32Å; R238-E278 IonicContact CZ-OE2 2.72Å; R238-E278 IonicContact NE-OE2 3.59Å; R238-E278 IonicContact NH1-OE1 3.9Å; R238-E278 IonicContact NH1-OE2 3.72Å; R238-E278 PolarHBondContact NH1-OE2 3.2Å; R238-E278 VanDerWaalsContact NH1-OE2 3.07Å; E278-S280 PolarHBondContact O-N 3.36Å; E278-S280 VanDerWaalsContact O-N 3.12Å; E278-S280 PolarHBondContact O-OG 3.06Å; E278-Y295 CarbonylContact O-C 3.57Å; E278-Y295 WeakPolarHBondContact O-CA 3.22Å; E278-V296 PolarHBondContact N-O 2.96Å; E278-V296 PolarHBondContact O-N 3.49Å; E278-H298 IonicContact OE2-CE1 3.35Å; E278-P338 HydrophobicContact CB-CB 4.2Å; E278-P338 HydrophobicContact CB-CG 3.87Å; E278-P338 VanDerWaalsContact OE2-CB 3.27Å; E278-P338 WeakPolarHBondContact OE2-CB 3.33Å; E278-P338 WeakPolarHBondContact OE2-CG 3.46Å
279	I	92.9	Very high	82.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	108.9	169.7	-58.3	176.7	0	0	0	108.3	V235 R238 L241 L257 L281 I293 C294	V235-I279 HydrophobicContact CG1-CB 3.96Å; V235-I279 HydrophobicContact CG1-CD1 4.22Å; V235-I279 HydrophobicContact CG1-CG2 4.28Å; V235-I279 HydrophobicContact CG2-CB 4.46Å; V235-I279 HydrophobicContact CG2-CD1 4.36Å; V235-I279 HydrophobicContact CG2-CG2 3.91Å; R238-I279 WeakPolarHBondContact O-CB 3.44Å; R238-I279 WeakPolarHBondContact O-CG1 3.44Å; R238-I279 PolarHBondContact O-N 2.98Å; L241-I279 HydrophobicContact CB-CD1 4.01Å; L257-I279 HydrophobicContact CD1-CG1 3.6Å; L257-I279 HydrophobicContact CG-CG1 4.06Å; I279-L281 WeakPolarHBondContact CG2-O 3.32Å; I279-I293 HydrophobicContact CD1-CD1 4.39Å; I279-I293 HydrophobicContact CG2-CB 4.39Å; I279-I293 HydrophobicContact CG2-CG2 4.37Å; I279-C294 CarbonylContact C-O 3.54Å; I279-C294 WeakPolarHBondContact CA-O 3.34Å
280	S	92	Very high	84.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-23.5	-176.9	10.2	0	0	0	0	111.4	Q222 E278 C294 Y295 V296 N334 S335	Q222-S280 PolarHBondContact NE2-O 3.25Å; Q222-S280 VanDerWaalsContact NE2-O 3.16Å; E278-S280 PolarHBondContact O-N 3.36Å; E278-S280 VanDerWaalsContact O-N 3.12Å; E278-S280 PolarHBondContact O-OG 3.06Å; S280-C294 PolarHBondContact N-O 3.17Å; S280-C294 PolarHBondContact OG-O 2.86Å; S280-Y295 WeakPolarHBondContact OG-CA 3.46Å; S280-V296 PolarHBondContact OG-N 2.85Å; S280-N334 VanDerWaalsContact CB-OD1 3.3Å; S280-N334 WeakPolarHBondContact CB-OD1 3.35Å; S280-N334 PolarHBondContact OG-ND2 2.64Å; S280-N334 PolarHBondContact OG-OD1 3.17Å; S280-S335 WeakPolarHBondContact CB-O 3.45Å
281	L	92.8	Very high	85.9	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.6	177	174.1	56.5	0	0	0	111.4	I279 A283 W292 I293 C294 F333 P342 V344	I279-L281 WeakPolarHBondContact CG2-O 3.32Å; L281-A283 HydrophobicContact CD1-CB 3.92Å; L281-A283 HydrophobicContact CD2-CB 4.31Å; L281-A283 HydrophobicContact CG-CB 4.09Å; L281-W292 HydrophobicContact CD2-CE3 4.32Å; L281-W292 HydrophobicContact CD2-CH2 3.57Å; L281-W292 HydrophobicContact CD2-CZ2 4.2Å; L281-W292 HydrophobicContact CD2-CZ3 3.65Å; L281-I293 CarbonylContact O-C 3.53Å; L281-I293 WeakPolarHBondContact O-CA 3.25Å; L281-C294 HydrophobicContact CB-CB 4.08Å; L281-C294 PolarHBondContact N-O 3.43Å; L281-C294 PolarHBondContact O-N 2.89Å; L281-F333 WeakPolarHBondContact CD2-O 3.35Å; L281-P342 HydrophobicContact CB-CG 3.99Å; L281-P342 HydrophobicContact CD1-CG 3.71Å; L281-P342 HydrophobicContact CD2-CG 3.9Å; L281-P342 HydrophobicContact CG-CG 4.06Å; L281-V344 HydrophobicContact CD1-CG2 4.02Å; L281-V344 HydrophobicContact CD2-CG2 3.89Å
282	L	93.9	Very high	87.3	Confident	9 Å²	9	33.9 Å²	33.9	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.4	159.3	169.4	62.3	0	0	0	108.6	Q222 I224 V235 L241 I291 I293	Q222-L282 HydrophobicContact CB-CB 4.36Å; Q222-L282 HydrophobicContact CB-CD2 4.49Å; I224-L282 HydrophobicContact CB-CD2 4.21Å; I224-L282 HydrophobicContact CB-CG 4.26Å; I224-L282 HydrophobicContact CD1-CG 4.12Å; I224-L282 WeakPolarHBondContact CD1-O 3.32Å; I224-L282 HydrophobicContact CG1-CD2 4.4Å; I224-L282 HydrophobicContact CG1-CG 4.15Å; V235-L282 HydrophobicContact CG2-CB 4.14Å; V235-L282 HydrophobicContact CG2-CD2 3.98Å; L241-L282 HydrophobicContact CD1-CD1 4.15Å; L241-L282 HydrophobicContact CD1-CD2 4.24Å; L282-I291 HydrophobicContact CD1-CB 4.03Å; L282-I291 HydrophobicContact CD1-CD1 3.7Å; L282-I291 HydrophobicContact CD1-CG1 4.48Å; L282-I291 HydrophobicContact CD1-CG2 4.04Å; L282-I293 HydrophobicContact CB-CG2 4.27Å; L282-I293 HydrophobicContact CD1-CG2 3.63Å
283	A	94.3	Very high	88.5	Confident	6 Å²	6	32.5 Å²	32.5	5%	0.05	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	161.4	-173.5	0	0	0	0	0	112.9	I224 L281 I291 W292 V344	I224-A283 VanDerWaalsContact CD1-CA 3.49Å; L281-A283 HydrophobicContact CD1-CB 3.92Å; L281-A283 HydrophobicContact CD2-CB 4.31Å; L281-A283 HydrophobicContact CG-CB 4.09Å; A283-I291 CarbonylContact O-C 3.49Å; A283-I291 WeakPolarHBondContact O-CA 3.47Å; A283-I291 WeakPolarHBondContact O-CB 3.25Å; A283-W292 HydrophobicContact CB-CD2 4.05Å; A283-W292 HydrophobicContact CB-CG 4.3Å; A283-W292 HydrophobicContact CB-CZ2 3.94Å; A283-W292 PolarHBondContact N-O 3.42Å; A283-W292 PolarHBondContact O-N 3.33Å; A283-V344 HydrophobicContact CB-CG1 4.14Å
284	K	93.5	Very high	89.6	Confident	24 Å²	24	31.7 Å²	31.7	10%	0.104	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.3	172.4	-70.6	174	179.6	173.3	0	110.2	I224 I225 I226 W292 N346	I224-K284 HydrophobicContact CD1-CG 4.29Å; I224-K284 HydrophobicContact CG2-CD 4.47Å; I224-K284 HydrophobicContact CG2-CG 3.9Å; I225-K284 WeakPolarHBondContact O-CE 3.5Å; I225-K284 PolarHBondContact O-NZ 2.91Å; I226-K284 HydrophobicContact CD1-CG 4.43Å; I226-K284 HydrophobicContact CG1-CG 4.41Å; K284-W292 PolarHBondContact O-NE1 3.28Å; K284-W292 VanDerWaalsContact O-NE1 3.1Å; K284-N346 PolarHBondContact O-ND2 3.42Å
285	M	92.2	Very high	90.6	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.084	13%	0.132	C	C	.	.			trans	-71.8	160.5	164.5	-74.3	-62.9	-78.3	0	0	111.1	D287 E288 M290 W292 V315 N346	M285-D287 VanDerWaalsContact CB-OD1 3.26Å; M285-D287 WeakPolarHBondContact CB-OD1 3.37Å; M285-D287 PolarHBondContact O-N 3.27Å; M285-D287 VanDerWaalsContact O-N 3.16Å; M285-E288 PolarHBondContact O-N 2.69Å; M285-M290 HydrophobicContact CB-CB 4.12Å; M285-M290 WeakPolarHBondContact CB-O 3.31Å; M285-M290 HydrophobicContact CG-CB 3.79Å; M285-M290 PolarHBondContact N-O 3.49Å; M285-W292 HydrophobicContact SD-CB 4.07Å; M285-W292 HydrophobicContact SD-CG 3.98Å; M285-V315 HydrophobicContact CE-CG2 3.87Å; M285-V315 HydrophobicContact CG-CG1 4.38Å; M285-V315 HydrophobicContact SD-CG2 3.8Å; M285-N346 PolarHBondContact O-ND2 3.15Å
286	P	90.3	Very high	91.3	Very high	35 Å²	35	26.1 Å²	26.1	23%	0.227	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19	-176.1	-25.5	35.7	0	0	0	115.9	N346 M369 K1169	P286-N346 HydrophobicContact CB-CB 4.18Å; P286-N346 HydrophobicContact CG-CB 4.26Å; P286-M369 HydrophobicContact CG-CG 4.03Å; P286-K1169 PolarHBondContact O-NZ 3.22Å
287	D	86.6	Confident	91.7	Very high	58 Å²	58	22.1 Å²	22.1	31%	0.31	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.8	174.8	74.4	-26.6	0	0	0	113.3	K228 M285 R289	K228-D287 PolarHBondContact NZ-O 3.23Å; M285-D287 VanDerWaalsContact CB-OD1 3.26Å; M285-D287 WeakPolarHBondContact CB-OD1 3.37Å; M285-D287 PolarHBondContact O-N 3.27Å; M285-D287 VanDerWaalsContact O-N 3.16Å; D287-R289 VanDerWaalsContact C-N 3.29Å; D287-R289 PolarHBondContact O-N 2.81Å; D287-R289 PolarHBondContact OD1-N 2.94Å; D287-R289 VanDerWaalsContact OD2-CB 3.24Å; D287-R289 WeakPolarHBondContact OD2-CB 3.41Å; D287-R289 WeakPolarHBondContact OD2-CG 3.15Å
288	E	87.7	Confident	91.3	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.103	10%	0.096	C	C	.	.	S	Bend	trans	55.5	34.7	-171.9	-39.8	170.7	113.4	0	0	114.2	I226 K228 M285 T1164	I226-E288 WeakPolarHBondContact CG2-O 3.33Å; K228-E288 HydrophobicContact CD-CB 4.23Å; K228-E288 WeakPolarHBondContact CD-O 3.46Å; K228-E288 VanDerWaalsContact CE-OE2 3.27Å; K228-E288 WeakPolarHBondContact CE-OE2 3.04Å; K228-E288 IonicContact NZ-OE2 2.7Å; K228-E288 PolarHBondContact NZ-OE2 2.88Å; M285-E288 PolarHBondContact O-N 2.69Å; E288-T1164 HydrophobicContact CG-CG2 4.41Å; E288-T1164 WeakPolarHBondContact OE1-CB 3.22Å; E288-T1164 WeakPolarHBondContact OE1-CG2 3.49Å; E288-T1164 PolarHBondContact OE1-OG1 2.91Å
289	R	91.1	Very high	90.7	Very high	163 Å²	163	19.9 Å²	19.9	62%	0.615	9%	0.092	S	C	*	.	S	Bend	trans	-106.1	-32.6	167	-51.4	-178.9	176.8	-154.5	0.2	111.7	K228 T229 D287	K228-R289 HydrophobicContact CD-CG 4.47Å; T229-R289 HydrophobicContact CG2-CB 4.34Å; T229-R289 WeakPolarHBondContact CG2-O 3.46Å; D287-R289 VanDerWaalsContact C-N 3.29Å; D287-R289 PolarHBondContact O-N 2.81Å; D287-R289 PolarHBondContact OD1-N 2.94Å; D287-R289 VanDerWaalsContact OD2-CB 3.24Å; D287-R289 WeakPolarHBondContact OD2-CB 3.41Å; D287-R289 WeakPolarHBondContact OD2-CG 3.15Å
290	M	92.6	Very high	89.6	Confident	29 Å²	29	20.9 Å²	20.9	14%	0.143	10%	0.099	C	C	.	.	S	Bend	trans	-107.5	159.1	176.9	-72.6	165.7	-73.4	0	0	112.3	M285 V315 V318 L325 W372	M285-M290 HydrophobicContact CB-CB 4.12Å; M285-M290 WeakPolarHBondContact CB-O 3.31Å; M285-M290 HydrophobicContact CG-CB 3.79Å; M285-M290 PolarHBondContact N-O 3.49Å; M290-V315 HydrophobicContact CB-CG1 4.21Å; M290-V315 HydrophobicContact SD-CG1 4.1Å; M290-V318 HydrophobicContact CG-CG2 3.67Å; M290-L325 HydrophobicContact SD-CD1 3.81Å; M290-W372 HydrophobicContact CE-CH2 4.01Å; M290-W372 HydrophobicContact SD-CH2 4.41Å
291	I	94.9	Very high	88.6	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	165.5	162.9	53.2	161.1	0	0	0	110.2	I224 I226 Y233 L241 L282 A283 P316 L321	I224-I291 HydrophobicContact CG2-CG2 4.26Å; I226-I291 HydrophobicContact CD1-CG2 3.62Å; I226-I291 HydrophobicContact CG1-CG2 4.44Å; Y233-I291 HydrophobicContact CD1-CD1 3.48Å; Y233-I291 VanDerWaalsContact CD1-CD1 3.48Å; Y233-I291 HydrophobicContact CD1-CG1 4.25Å; Y233-I291 HydrophobicContact CD2-CD1 4.44Å; Y233-I291 HydrophobicContact CD2-CG2 3.58Å; Y233-I291 HydrophobicContact CE1-CD1 3.72Å; Y233-I291 HydrophobicContact CE1-CG1 4.09Å; Y233-I291 HydrophobicContact CE2-CG1 4.49Å; Y233-I291 HydrophobicContact CE2-CG2 3.77Å; Y233-I291 HydrophobicContact CG-CD1 3.85Å; Y233-I291 HydrophobicContact CG-CG1 4.49Å; Y233-I291 HydrophobicContact CG-CG2 4Å; L241-I291 HydrophobicContact CD1-CD1 4.42Å; L241-I291 HydrophobicContact CD2-CD1 3.82Å; L282-I291 HydrophobicContact CD1-CB 4.03Å; L282-I291 HydrophobicContact CD1-CD1 3.7Å; L282-I291 HydrophobicContact CD1-CG1 4.48Å; L282-I291 HydrophobicContact CD1-CG2 4.04Å; A283-I291 CarbonylContact O-C 3.49Å; A283-I291 WeakPolarHBondContact O-CA 3.47Å; A283-I291 WeakPolarHBondContact O-CB 3.25Å; I291-P316 HydrophobicContact CD1-CG 3.98Å; I291-P316 HydrophobicContact CG1-CG 3.89Å; I291-L321 HydrophobicContact CD1-CD2 4.33Å
292	W	94.4	Very high	87.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.1	156.7	59.3	-74.9	0	0	0	109.3	L281 A283 K284 M285 C294 M314 V315 W328 F333 V344 I354 M369	L281-W292 HydrophobicContact CD2-CE3 4.32Å; L281-W292 HydrophobicContact CD2-CH2 3.57Å; L281-W292 HydrophobicContact CD2-CZ2 4.2Å; L281-W292 HydrophobicContact CD2-CZ3 3.65Å; A283-W292 HydrophobicContact CB-CD2 4.05Å; A283-W292 HydrophobicContact CB-CG 4.3Å; A283-W292 HydrophobicContact CB-CZ2 3.94Å; A283-W292 PolarHBondContact N-O 3.42Å; A283-W292 PolarHBondContact O-N 3.33Å; K284-W292 PolarHBondContact O-NE1 3.28Å; K284-W292 VanDerWaalsContact O-NE1 3.1Å; M285-W292 HydrophobicContact SD-CB 4.07Å; M285-W292 HydrophobicContact SD-CG 3.98Å; W292-C294 WeakPolarHBondContact CZ3-SG 3.29Å; W292-M314 WeakPolarHBondContact CA-O 3.47Å; W292-M314 WeakPolarHBondContact CB-O 3.41Å; W292-V315 HydrophobicContact CB-CG2 4.19Å; W292-W328 HydrophobicContact CB-CH2 4.19Å; W292-W328 HydrophobicContact CD2-CH2 4.21Å; W292-W328 HydrophobicContact CD2-CZ2 4.22Å; W292-W328 AromaticContact CE3-CH2 3.86Å; W292-W328 HydrophobicContact CE3-CH2 3.86Å; W292-W328 AromaticContact CE3-CZ2 3.52Å; W292-W328 HydrophobicContact CE3-CZ2 3.52Å; W292-W328 HydrophobicContact CG-CH2 4.39Å; W292-W328 AromaticContact CZ3-CZ2 3.78Å; W292-W328 HydrophobicContact CZ3-CZ2 3.78Å; W292-F333 HydrophobicContact CH2-CB 4.12Å; W292-F333 HydrophobicContact CH2-CD1 4.02Å; W292-F333 HydrophobicContact CZ3-CB 4.06Å; W292-F333 HydrophobicContact CZ3-CD1 4.43Å; W292-V344 HydrophobicContact CH2-CG1 4.3Å; W292-V344 HydrophobicContact CZ2-CG1 3.57Å; W292-I354 HydrophobicContact CH2-CD1 3.93Å; W292-I354 HydrophobicContact CZ2-CD1 4.42Å; W292-M369 HydrophobicContact CH2-CE 4Å; W292-M369 HydrophobicContact CZ2-CE 3.4Å; W292-M369 HydrophobicContact CZ2-SD 4.39Å
293	I	94.6	Very high	86.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.8	176.6	53.8	163.2	0	0	0	110.8	L241 I279 L281 L282 C313 M314	L241-I293 HydrophobicContact CD2-CD1 4.29Å; L241-I293 HydrophobicContact CD2-CG2 4.16Å; I279-I293 HydrophobicContact CD1-CD1 4.39Å; I279-I293 HydrophobicContact CG2-CB 4.39Å; I279-I293 HydrophobicContact CG2-CG2 4.37Å; L281-I293 CarbonylContact O-C 3.53Å; L281-I293 WeakPolarHBondContact O-CA 3.25Å; L282-I293 HydrophobicContact CB-CG2 4.27Å; L282-I293 HydrophobicContact CD1-CG2 3.63Å; I293-C313 CarbonylContact O-C 3.52Å; I293-C313 WeakPolarHBondContact O-CA 3.05Å; I293-M314 HydrophobicContact CD1-CE 3.75Å; I293-M314 HydrophobicContact CD1-CG 4.47Å; I293-M314 HydrophobicContact CG1-CE 4.36Å; I293-M314 HydrophobicContact CG1-CG 4.05Å; I293-M314 PolarHBondContact N-O 2.93Å; I293-M314 PolarHBondContact O-N 2.84Å
294	C	94.3	Very high	85.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.8	162.3	-56.4	0	0	0	0	111.1	I279 S280 L281 W292 G312 C313 N334	I279-C294 CarbonylContact C-O 3.54Å; I279-C294 WeakPolarHBondContact CA-O 3.34Å; S280-C294 PolarHBondContact N-O 3.17Å; S280-C294 PolarHBondContact OG-O 2.86Å; L281-C294 HydrophobicContact CB-CB 4.08Å; L281-C294 PolarHBondContact N-O 3.43Å; L281-C294 PolarHBondContact O-N 2.89Å; W292-C294 WeakPolarHBondContact CZ3-SG 3.29Å; C294-G312 CarbonylContact C-O 3.55Å; C294-G312 VanDerWaalsContact CA-O 3.27Å; C294-G312 WeakPolarHBondContact CA-O 3.46Å; C294-G312 WeakPolarHBondContact CB-O 3.39Å; C294-C313 HydrophobicContact CB-CB 4.01Å; C294-C313 WeakPolarHBondContact CB-SG 3.3Å; C294-C313 WeakPolarHBondContact SG-CB 3.5Å; C294-C313 CovalentContact SG-SG 2.04Å; C294-C313 PolarHBondContact SG-SG 2.85Å; C294-N334 HydrophobicContact CB-CB 3.8Å; C294-N334 WeakPolarHBondContact CB-ND2 3.36Å; C294-N334 WeakPolarHBondContact CB-OD1 3.36Å
295	Y	92.4	Very high	84	Confident	22 Å²	22	45 Å²	45	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.5	176.8	54.7	-97.2	0	0	0	111	L257 E278 S280 S311 G312 M314 Q327 N334	L257-Y295 HydrophobicContact CD1-CG 4.34Å; L257-Y295 HydrophobicContact CD2-CD1 3.8Å; L257-Y295 HydrophobicContact CD2-CE1 4.46Å; L257-Y295 HydrophobicContact CD2-CG 4.07Å; E278-Y295 CarbonylContact O-C 3.57Å; E278-Y295 WeakPolarHBondContact O-CA 3.22Å; S280-Y295 WeakPolarHBondContact OG-CA 3.46Å; Y295-S311 WeakPolarHBondContact O-CA 3.44Å; Y295-G312 PolarHBondContact N-O 3.34Å; Y295-G312 PolarHBondContact O-N 3.07Å; Y295-G312 VanDerWaalsContact O-N 3.11Å; Y295-M314 HydrophobicContact CE1-CE 4.29Å; Y295-M314 HydrophobicContact CE1-SD 4.3Å; Y295-Q327 PolarHBondContact OH-NE2 3.35Å; Y295-N334 PolarHBondContact O-ND2 3.06Å
296	V	90.1	Very high	82.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.4	167.1	-69.3	0	0	0	0	109.8	K277 E278 S280 L308 E310 L336 P338	K277-V296 WeakPolarHBondContact CA-O 3.49Å; E278-V296 PolarHBondContact N-O 2.96Å; E278-V296 PolarHBondContact O-N 3.49Å; S280-V296 PolarHBondContact OG-N 2.85Å; V296-L308 HydrophobicContact CB-CD1 3.8Å; V296-L308 HydrophobicContact CG1-CD1 3.87Å; V296-E310 WeakPolarHBondContact CA-O 3.5Å; V296-L336 HydrophobicContact CG1-CD2 4.28Å; V296-P338 HydrophobicContact CG2-CG 3.48Å; V296-P338 VanDerWaalsContact CG2-CG 3.48Å
297	T	87.1	Confident	81.8	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.9	166.6	-52.7	0	0	0	0	107.7	M276 K277 A309 E310	M276-T297 CarbonylContact O-C 3.49Å; M276-T297 WeakPolarHBondContact O-CA 3.37Å; K277-T297 WeakPolarHBondContact CD-OG1 2.88Å; K277-T297 WeakPolarHBondContact CE-OG1 3.29Å; K277-T297 HydrophobicContact CG-CG2 4.09Å; K277-T297 PolarHBondContact NZ-OG1 3.02Å; K277-T297 VanDerWaalsContact NZ-OG1 3.15Å; T297-A309 HydrophobicContact CG2-CB 4.12Å; T297-A309 PolarHBondContact O-N 3.13Å; T297-E310 WeakPolarHBondContact CB-OE2 3Å; T297-E310 PolarHBondContact N-O 2.78Å; T297-E310 PolarHBondContact O-N 3.2Å; T297-E310 PolarHBondContact OG1-OE2 3.46Å
298	H	80.3	Confident	81.1	Confident	16 Å²	16	49 Å²	49	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.7	174.5	69.4	-105.2	0	0	0	112.3	S275 M276 E278 N306 L307	S275-H298 WeakPolarHBondContact CA-O 3.37Å; M276-H298 PolarHBondContact N-O 2.88Å; M276-H298 PolarHBondContact O-N 3.01Å; E278-H298 IonicContact OE2-CE1 3.35Å; H298-N306 HydrophobicContact CB-CB 4.3Å; H298-N306 PolarHBondContact CD2-ND2 3.07Å; H298-N306 PolarHBondContact NE2-ND2 3.05Å; H298-N306 VanDerWaalsContact NE2-ND2 3.12Å; H298-L307 CarbonylContact C-O 3.53Å; H298-L307 VanDerWaalsContact CA-O 3.23Å; H298-L307 WeakPolarHBondContact CA-O 3.45Å
299	H	76.1	Confident	80.2	Confident	4 Å²	4	50 Å²	50	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105	173.6	-59.9	-33	0	0	0	108.8	S275 Y301 N306 L307 A309	S275-H299 PolarHBondContact OG-CE1 3.46Å; S275-H299 VanDerWaalsContact OG-CE1 3.26Å; S275-H299 PolarHBondContact OG-ND1 3.45Å; H299-Y301 HydrophobicContact CB-CE2 4.2Å; H299-N306 WeakPolarHBondContact O-CA 3.27Å; H299-L307 HydrophobicContact CB-CB 4.43Å; H299-L307 PolarHBondContact N-O 3.49Å; H299-L307 PolarHBondContact O-N 3.41Å; H299-A309 WeakPolarHBondContact NE2-CB 3.34Å
300	S	69.9	Low	79.7	Confident	21 Å²	21	45.9 Å²	45.9	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144	171.8	65.3	0	0	0	0	110.3	C273 H274 N306	C273-S300 WeakPolarHBondContact CA-O 3.39Å; H274-S300 PolarHBondContact N-O 3.14Å; H274-S300 PolarHBondContact O-N 3.2Å; H274-S300 PolarHBondContact O-OG 3.16Å; S300-N306 WeakPolarHBondContact CA-OD1 3.34Å; S300-N306 VanDerWaalsContact CB-OD1 3.32Å; S300-N306 WeakPolarHBondContact CB-OD1 3.43Å
301	Y	72.1	Confident	79.5	Confident	33 Å²	33	45.4 Å²	45.4	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.4	169.5	-60.2	-104.2	0	0	0	107.2	S272 C273 H299 N303 R304	S272-Y301 WeakPolarHBondContact O-CA 3.39Å; C273-Y301 HydrophobicContact CB-CD1 4.12Å; C273-Y301 HydrophobicContact CB-CE1 3.81Å; C273-Y301 WeakPolarHBondContact SG-CE1 3.14Å; C273-Y301 PolarHBondContact SG-OH 2.88Å; H299-Y301 HydrophobicContact CB-CE2 4.2Å; Y301-N303 PolarHBondContact O-N 3.31Å; Y301-R304 HydrophobicContact CD2-CB 4.41Å; Y301-R304 HydrophobicContact CG-CB 4.49Å; Y301-R304 PolarHBondContact O-N 2.84Å
302	E	70.4	Confident	79.2	Confident	152 Å²	152	45.3 Å²	45.3	71%	0.71	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-25.6	-175.7	-66.2	-178.5	138.8	0	0	115.1
303	N	72.2	Confident	79.2	Confident	78 Å²	78	45.3 Å²	45.3	42%	0.417	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	28.7	-175.1	-60.5	-87.8	0	0	0	113.6	Y301 H1053	Y301-N303 PolarHBondContact O-N 3.31Å; N303-H1053 HydrophobicContact CB-CB 3.73Å; N303-H1053 WeakPolarHBondContact OD1-CB 3.27Å; N303-H1053 PolarHBondContact OD1-O 2.77Å
304	R	67.2	Low	79.1	Confident	167 Å²	167	45.6 Å²	45.6	63%	0.63	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.1	172.7	-56.9	-179.1	175	173.6	-1.6	111.4	Y301	Y301-R304 HydrophobicContact CD2-CB 4.41Å; Y301-R304 HydrophobicContact CG-CB 4.49Å; Y301-R304 PolarHBondContact O-N 2.84Å
305	P	67.4	Low	79.2	Confident	121 Å²	121	45.6 Å²	45.6	79%	0.786	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	142.3	165.6	-20.4	32.7	0	0	0	110.9	L307	P305-L307 PolarHBondContact O-N 2.88Å
306	N	67.1	Low	79.3	Confident	91 Å²	91	44.7 Å²	44.7	49%	0.487	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	126.2	177.4	-66.2	0.1	0	0	0	110.2	H298 H299 S300	H298-N306 HydrophobicContact CB-CB 4.3Å; H298-N306 PolarHBondContact CD2-ND2 3.07Å; H298-N306 PolarHBondContact NE2-ND2 3.05Å; H298-N306 VanDerWaalsContact NE2-ND2 3.12Å; H299-N306 WeakPolarHBondContact O-CA 3.27Å; S300-N306 WeakPolarHBondContact CA-OD1 3.34Å; S300-N306 VanDerWaalsContact CB-OD1 3.32Å; S300-N306 WeakPolarHBondContact CB-OD1 3.43Å
307	L	69.2	Low	79.4	Confident	63 Å²	63	45.9 Å²	45.9	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.2	174.8	-169.4	65.5	0	0	0	108.9	H298 H299 P305 A309	H298-L307 CarbonylContact C-O 3.53Å; H298-L307 VanDerWaalsContact CA-O 3.23Å; H298-L307 WeakPolarHBondContact CA-O 3.45Å; H299-L307 HydrophobicContact CB-CB 4.43Å; H299-L307 PolarHBondContact N-O 3.49Å; H299-L307 PolarHBondContact O-N 3.41Å; P305-L307 PolarHBondContact O-N 2.88Å; L307-A309 PolarHBondContact O-N 3.41Å
308	L	72.1	Confident	79.5	Confident	39 Å²	39	48.6 Å²	48.6	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.6	170.8	178.3	71.7	0	0	0	108.9	V296 L336 L359	V296-L308 HydrophobicContact CB-CD1 3.8Å; V296-L308 HydrophobicContact CG1-CD1 3.87Å; L308-L336 HydrophobicContact CD2-CB 4.25Å; L308-L336 HydrophobicContact CD2-CD1 3.82Å; L308-L336 HydrophobicContact CD2-CD2 3.88Å; L308-L336 HydrophobicContact CD2-CG 4.19Å; L308-L359 HydrophobicContact CB-CD2 4.34Å; L308-L359 HydrophobicContact CD2-CD2 4.13Å
309	A	68.2	Low	79.9	Confident	43 Å²	43	56.3 Å²	56.3	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-48.2	179.9	0	0	0	0	0	112.4	T297 H299 L307	T297-A309 HydrophobicContact CG2-CB 4.12Å; T297-A309 PolarHBondContact O-N 3.13Å; H299-A309 WeakPolarHBondContact NE2-CB 3.34Å; L307-A309 PolarHBondContact O-N 3.41Å
310	E	81.2	Confident	80.7	Confident	77 Å²	77	59.1 Å²	59.1	36%	0.36	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.1	-175.9	-51.3	166.3	148.1	0	0	110.3	K277 V296 T297	K277-E310 WeakPolarHBondContact CE-OE2 3.39Å; K277-E310 IonicContact NZ-OE2 3.57Å; K277-E310 PolarHBondContact NZ-OE2 2.03Å; V296-E310 WeakPolarHBondContact CA-O 3.5Å; T297-E310 WeakPolarHBondContact CB-OE2 3Å; T297-E310 PolarHBondContact N-O 2.78Å; T297-E310 PolarHBondContact O-N 3.2Å; T297-E310 PolarHBondContact OG1-OE2 3.46Å
311	S	87.8	Confident	81.9	Confident	19 Å²	19	58.3 Å²	58.3	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	119.2	166.3	69.7	0	0	0	0	111	Y295	Y295-S311 WeakPolarHBondContact O-CA 3.44Å
312	G	89.8	Confident	82.9	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.3	-179.1	0	0	0	0	0	112	C294 Y295	C294-G312 CarbonylContact C-O 3.55Å; C294-G312 VanDerWaalsContact CA-O 3.27Å; C294-G312 WeakPolarHBondContact CA-O 3.46Å; C294-G312 WeakPolarHBondContact CB-O 3.39Å; Y295-G312 PolarHBondContact N-O 3.34Å; Y295-G312 PolarHBondContact O-N 3.07Å; Y295-G312 VanDerWaalsContact O-N 3.11Å
313	C	93.5	Very high	84	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151	177.6	-58.4	0	0	0	0	110.3	I293 C294 Q327 W328	I293-C313 CarbonylContact O-C 3.52Å; I293-C313 WeakPolarHBondContact O-CA 3.05Å; C294-C313 HydrophobicContact CB-CB 4.01Å; C294-C313 WeakPolarHBondContact CB-SG 3.3Å; C294-C313 WeakPolarHBondContact SG-CB 3.5Å; C294-C313 CovalentContact SG-SG 2.04Å; C294-C313 PolarHBondContact SG-SG 2.85Å; C313-Q327 CarbonylContact O-C 3.53Å; C313-Q327 WeakPolarHBondContact O-CA 3.32Å; C313-W328 HydrophobicContact CB-CD2 3.82Å; C313-W328 HydrophobicContact CB-CE3 4.45Å; C313-W328 HydrophobicContact CB-CG 4.2Å; C313-W328 HydrophobicContact CB-CH2 4.27Å; C313-W328 HydrophobicContact CB-CZ2 3.6Å; C313-W328 VanDerWaalsContact CB-NE1 3.33Å; C313-W328 PolarHBondContact N-O 3.42Å; C313-W328 PolarHBondContact O-N 3.15Å
314	M	93.7	Very high	84.9	Confident	7 Å²	7	55 Å²	55	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.3	177.8	60	-167.8	180	0	0	114	Y255 L257 W292 I293 Y295 P316 P324 I326 Q327	Y255-M314 HydrophobicContact CE1-CE 3.59Å; L257-M314 HydrophobicContact CD2-CE 4.49Å; W292-M314 WeakPolarHBondContact CA-O 3.47Å; W292-M314 WeakPolarHBondContact CB-O 3.41Å; I293-M314 HydrophobicContact CD1-CE 3.75Å; I293-M314 HydrophobicContact CD1-CG 4.47Å; I293-M314 HydrophobicContact CG1-CE 4.36Å; I293-M314 HydrophobicContact CG1-CG 4.05Å; I293-M314 PolarHBondContact N-O 2.93Å; I293-M314 PolarHBondContact O-N 2.84Å; Y295-M314 HydrophobicContact CE1-CE 4.29Å; Y295-M314 HydrophobicContact CE1-SD 4.3Å; M314-P316 WeakPolarHBondContact O-CD 3.28Å; M314-P324 HydrophobicContact CB-CB 4.04Å; M314-P324 HydrophobicContact SD-CB 4.11Å; M314-I326 CarbonylContact C-O 3.58Å; M314-I326 WeakPolarHBondContact CA-O 3.27Å; M314-I326 VanDerWaalsContact CB-O 3.24Å; M314-I326 WeakPolarHBondContact CB-O 3.41Å; M314-Q327 HydrophobicContact CB-CB 4.2Å; M314-Q327 HydrophobicContact CB-CG 4.44Å
315	V	94.6	Very high	86.1	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.7	163.8	-172.7	0	0	0	0	107.5	M285 M290 W292 P324 L325 I326 W328	M285-V315 HydrophobicContact CE-CG2 3.87Å; M285-V315 HydrophobicContact CG-CG1 4.38Å; M285-V315 HydrophobicContact SD-CG2 3.8Å; M290-V315 HydrophobicContact CB-CG1 4.21Å; M290-V315 HydrophobicContact SD-CG1 4.1Å; W292-V315 HydrophobicContact CB-CG2 4.19Å; V315-P324 CarbonylContact O-C 3.56Å; V315-P324 WeakPolarHBondContact O-CA 3.21Å; V315-L325 HydrophobicContact CB-CB 4.38Å; V315-L325 HydrophobicContact CG1-CB 4.48Å; V315-L325 HydrophobicContact CG1-CD1 4.23Å; V315-L325 PolarHBondContact O-N 2.88Å; V315-I326 HydrophobicContact CG2-CB 4.32Å; V315-I326 HydrophobicContact CG2-CD1 4.03Å; V315-I326 HydrophobicContact CG2-CG1 4.29Å; V315-I326 PolarHBondContact N-O 3.47Å; V315-W328 HydrophobicContact CG2-CH2 4.27Å; V315-W328 HydrophobicContact CG2-CZ3 3.96Å
316	P	94.7	Very high	87.2	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	157.1	170.3	28.3	-33.9	0	0	0	111.8	I291 M314 L321 I323	I291-P316 HydrophobicContact CD1-CG 3.98Å; I291-P316 HydrophobicContact CG1-CG 3.89Å; M314-P316 WeakPolarHBondContact O-CD 3.28Å; P316-L321 HydrophobicContact CB-CD2 4.06Å; P316-L321 HydrophobicContact CG-CD2 4Å; P316-I323 CarbonylContact C-O 3.53Å; P316-I323 WeakPolarHBondContact CA-O 3.35Å
317	T	92.4	Very high	88.3	Confident	28 Å²	28	45.7 Å²	45.7	17%	0.172	25%	0.252	C	S	.	.			trans	-63.9	157.4	167.4	76	0	0	0	0	111	E319 N320 I323 L325	T317-E319 VanDerWaalsContact C-N 3.29Å; T317-E319 PolarHBondContact O-N 3.18Å; T317-N320 WeakPolarHBondContact OG1-CA 3.41Å; T317-N320 PolarHBondContact OG1-N 3.06Å; T317-N320 PolarHBondContact OG1-O 3.46Å; T317-I323 HydrophobicContact CG2-CB 3.85Å; T317-I323 HydrophobicContact CG2-CG2 3.72Å; T317-I323 PolarHBondContact N-O 3.33Å; T317-L325 HydrophobicContact CG2-CD2 3.83Å; T317-L325 HydrophobicContact CG2-CG 3.81Å
318	V	89.1	Confident	89.4	Confident	57 Å²	57	43.2 Å²	43.2	35%	0.345	24%	0.238	S	C	.	.	S	Bend	trans	-71	-27	177.2	179.7	0	0	0	0	111.9	K243 M290	K243-V318 PolarHBondContact NZ-O 3.37Å; M290-V318 HydrophobicContact CG-CG2 3.67Å
319	E	88.8	Confident	89.9	Confident	178 Å²	178	48.4 Å²	48.4	83%	0.832	26%	0.262	S	S	*	.	S	Bend	trans	-89.5	-39	-176.1	-66.3	176.2	-176.5	0	0	112.8	T317	T317-E319 VanDerWaalsContact C-N 3.29Å; T317-E319 PolarHBondContact O-N 3.18Å
320	N	93	Very high	90.3	Very high	64 Å²	64	46.8 Å²	46.8	34%	0.342	25%	0.247	S	C	.	.			trans	-137.4	111.8	-177.6	-176.2	-30.5	0	0	0	110.9	D253 T317 A322 I323	D253-N320 WeakPolarHBondContact OD2-CA 3.38Å; T317-N320 WeakPolarHBondContact OG1-CA 3.41Å; T317-N320 PolarHBondContact OG1-N 3.06Å; T317-N320 PolarHBondContact OG1-O 3.46Å; N320-A322 PolarHBondContact O-N 2.94Å; N320-A322 WeakPolarHBondContact OD1-CA 3.36Å; N320-A322 VanDerWaalsContact OD1-CB 3.25Å; N320-A322 WeakPolarHBondContact OD1-CB 3.48Å; N320-A322 PolarHBondContact OD1-N 3.19Å; N320-I323 HydrophobicContact CB-CD1 4.03Å; N320-I323 HydrophobicContact CB-CG1 4.21Å; N320-I323 PolarHBondContact O-N 3.49Å
321	L	94.7	Very high	90.2	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.2	-178.7	-73.1	179.3	0	0	0	114.2	Y233 L241 K243 D253 Y255 I291 P316	Y233-L321 HydrophobicContact CD1-CD2 4.42Å; Y233-L321 HydrophobicContact CE1-CD2 4.04Å; L241-L321 HydrophobicContact CB-CD1 4.49Å; L241-L321 HydrophobicContact CD2-CD1 4.02Å; L241-L321 HydrophobicContact CD2-CD2 3.74Å; L241-L321 HydrophobicContact CD2-CG 4.36Å; L241-L321 HydrophobicContact CG-CD1 3.95Å; L241-L321 HydrophobicContact CG-CD2 4.47Å; K243-L321 HydrophobicContact CB-CD1 3.98Å; D253-L321 HydrophobicContact CB-CD1 4.1Å; D253-L321 HydrophobicContact CB-CG 4.23Å; D253-L321 VanDerWaalsContact OD2-CB 3.25Å; D253-L321 WeakPolarHBondContact OD2-CB 3.12Å; D253-L321 VanDerWaalsContact OD2-CG 3.27Å; D253-L321 WeakPolarHBondContact OD2-CG 3.45Å; D253-L321 PolarHBondContact OD2-N 3.4Å; Y255-L321 VanDerWaalsContact CB-CB 3.48Å; Y255-L321 HydrophobicContact CG-CB 4.35Å; I291-L321 HydrophobicContact CD1-CD2 4.33Å; P316-L321 HydrophobicContact CB-CD2 4.06Å; P316-L321 HydrophobicContact CG-CD2 4Å
322	A	93.7	Very high	90	Very high	50 Å²	50	47.1 Å²	47.1	41%	0.413	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15	178.6	0	0	0	0	0	113.4	Y255 N320 P324	Y255-A322 VanDerWaalsContact CD2-CA 3.46Å; Y255-A322 HydrophobicContact CD2-CB 3.45Å; Y255-A322 VanDerWaalsContact CD2-CB 3.45Å; Y255-A322 HydrophobicContact CE2-CB 3.78Å; Y255-A322 HydrophobicContact CG-CB 4.33Å; N320-A322 PolarHBondContact O-N 2.94Å; N320-A322 WeakPolarHBondContact OD1-CA 3.36Å; N320-A322 VanDerWaalsContact OD1-CB 3.25Å; N320-A322 WeakPolarHBondContact OD1-CB 3.48Å; N320-A322 PolarHBondContact OD1-N 3.19Å; A322-P324 WeakPolarHBondContact O-CD 3.19Å
323	I	93.5	Very high	89.8	Confident	88 Å²	88	47.1 Å²	47.1	45%	0.451	25%	0.25	S	S	.	.	S	Bend	trans	-98.5	115.7	-178.5	-57	178.3	0	0	0	109.3	P316 T317 N320	P316-I323 CarbonylContact C-O 3.53Å; P316-I323 WeakPolarHBondContact CA-O 3.35Å; T317-I323 HydrophobicContact CG2-CB 3.85Å; T317-I323 HydrophobicContact CG2-CG2 3.72Å; T317-I323 PolarHBondContact N-O 3.33Å; N320-I323 HydrophobicContact CB-CD1 4.03Å; N320-I323 HydrophobicContact CB-CG1 4.21Å; N320-I323 PolarHBondContact O-N 3.49Å
324	P	91.5	Very high	89.6	Confident	56 Å²	56	47.1 Å²	47.1	36%	0.364	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.5	172.6	31.1	-32.5	0	0	0	111.4	M314 V315 A322 Q327	M314-P324 HydrophobicContact CB-CB 4.04Å; M314-P324 HydrophobicContact SD-CB 4.11Å; V315-P324 CarbonylContact O-C 3.56Å; V315-P324 WeakPolarHBondContact O-CA 3.21Å; A322-P324 WeakPolarHBondContact O-CD 3.19Å; P324-Q327 HydrophobicContact CB-CB 4.45Å
325	L	91.4	Very high	89.4	Confident	82 Å²	82	46.8 Å²	46.8	43%	0.429	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-39.4	165.8	-72.1	170.9	0	0	0	111.7	M290 V315 T317 W372	M290-L325 HydrophobicContact SD-CD1 3.81Å; V315-L325 HydrophobicContact CB-CB 4.38Å; V315-L325 HydrophobicContact CG1-CB 4.48Å; V315-L325 HydrophobicContact CG1-CD1 4.23Å; V315-L325 PolarHBondContact O-N 2.88Å; T317-L325 HydrophobicContact CG2-CD2 3.83Å; T317-L325 HydrophobicContact CG2-CG 3.81Å; L325-W372 HydrophobicContact CB-CZ3 4.3Å; L325-W372 HydrophobicContact CD1-CZ3 4.46Å
326	I	91.4	Very high	89	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.2	172.2	-40.2	170	0	0	0	106.8	M314 V315 W328 W372	M314-I326 CarbonylContact C-O 3.58Å; M314-I326 WeakPolarHBondContact CA-O 3.27Å; M314-I326 VanDerWaalsContact CB-O 3.24Å; M314-I326 WeakPolarHBondContact CB-O 3.41Å; V315-I326 HydrophobicContact CG2-CB 4.32Å; V315-I326 HydrophobicContact CG2-CD1 4.03Å; V315-I326 HydrophobicContact CG2-CG1 4.29Å; V315-I326 PolarHBondContact N-O 3.47Å; I326-W328 HydrophobicContact CB-CE3 4.4Å; I326-W328 HydrophobicContact CB-CZ3 4.34Å; I326-W328 HydrophobicContact CG2-CE3 4.07Å; I326-W328 HydrophobicContact CG2-CZ3 4.43Å; I326-W372 HydrophobicContact CD1-CD2 4.02Å; I326-W372 HydrophobicContact CD1-CE3 3.5Å; I326-W372 VanDerWaalsContact CD1-CE3 3.5Å; I326-W372 HydrophobicContact CD1-CZ3 3.8Å; I326-W372 HydrophobicContact CG1-CD2 4.45Å; I326-W372 HydrophobicContact CG1-CE3 3.57Å; I326-W372 HydrophobicContact CG1-CZ3 3.93Å
327	Q	90.9	Very high	88.5	Confident	90 Å²	90	52 Å²	52	42%	0.421	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	165.7	178	175.4	-28.3	0	0	109.3	Y295 C313 M314 P324	Y295-Q327 PolarHBondContact OH-NE2 3.35Å; C313-Q327 CarbonylContact O-C 3.53Å; C313-Q327 WeakPolarHBondContact O-CA 3.32Å; M314-Q327 HydrophobicContact CB-CB 4.2Å; M314-Q327 HydrophobicContact CB-CG 4.44Å; P324-Q327 HydrophobicContact CB-CB 4.45Å
328	W	90.8	Very high	87.9	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.5	174.5	65.6	89.1	0	0	0	112.2	W292 C313 V315 I326 P370 F376	W292-W328 HydrophobicContact CB-CH2 4.19Å; W292-W328 HydrophobicContact CD2-CH2 4.21Å; W292-W328 HydrophobicContact CD2-CZ2 4.22Å; W292-W328 AromaticContact CE3-CH2 3.86Å; W292-W328 HydrophobicContact CE3-CH2 3.86Å; W292-W328 AromaticContact CE3-CZ2 3.52Å; W292-W328 HydrophobicContact CE3-CZ2 3.52Å; W292-W328 HydrophobicContact CG-CH2 4.39Å; W292-W328 AromaticContact CZ3-CZ2 3.78Å; W292-W328 HydrophobicContact CZ3-CZ2 3.78Å; C313-W328 HydrophobicContact CB-CD2 3.82Å; C313-W328 HydrophobicContact CB-CE3 4.45Å; C313-W328 HydrophobicContact CB-CG 4.2Å; C313-W328 HydrophobicContact CB-CH2 4.27Å; C313-W328 HydrophobicContact CB-CZ2 3.6Å; C313-W328 VanDerWaalsContact CB-NE1 3.33Å; C313-W328 PolarHBondContact N-O 3.42Å; C313-W328 PolarHBondContact O-N 3.15Å; V315-W328 HydrophobicContact CG2-CH2 4.27Å; V315-W328 HydrophobicContact CG2-CZ3 3.96Å; I326-W328 HydrophobicContact CB-CE3 4.4Å; I326-W328 HydrophobicContact CB-CZ3 4.34Å; I326-W328 HydrophobicContact CG2-CE3 4.07Å; I326-W328 HydrophobicContact CG2-CZ3 4.43Å; W328-P370 HydrophobicContact CD2-CG 3.66Å; W328-P370 HydrophobicContact CE3-CG 3.9Å; W328-P370 HydrophobicContact CG-CG 4.05Å; W328-P370 HydrophobicContact CH2-CG 4.42Å; W328-P370 HydrophobicContact CZ2-CG 4.21Å; W328-P370 HydrophobicContact CZ3-CG 4.29Å; W328-F376 HydrophobicContact CB-CE2 4.24Å; W328-F376 HydrophobicContact CB-CZ 3.96Å; W328-F376 AromaticContact CD1-CZ 3.52Å; W328-F376 AromaticContact CG-CZ 3.82Å; W328-F376 HydrophobicContact CG-CZ 3.82Å
329	E	84.2	Confident	87.5	Confident	148 Å²	148	54.4 Å²	54.4	69%	0.692	28%	0.28	S	S	*	.			trans	-110.2	96.6	176.3	-65.8	-176.5	177.9	0	0	108.6
330	N	75.5	Confident	87.2	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.043	26%	0.258	C	S	.	.			trans	-149.6	108.2	-179.1	-169.2	-22.9	0	0	0	111.5	H332 F333 F376 W378	N330-H332 PolarHBondContact O-N 3.35Å; N330-H332 VanDerWaalsContact O-N 3.1Å; N330-H332 VanDerWaalsContact OD1-CB 3.23Å; N330-H332 WeakPolarHBondContact OD1-CB 3.38Å; N330-H332 PolarHBondContact OD1-CD2 3.09Å; N330-H332 PolarHBondContact OD1-N 3.2Å; N330-F333 HydrophobicContact CB-CD2 4.19Å; N330-F333 PolarHBondContact O-N 3.41Å; N330-F376 HydrophobicContact CB-CE1 4.19Å; N330-F376 HydrophobicContact CB-CE2 3.92Å; N330-F376 HydrophobicContact CB-CZ 3.47Å; N330-F376 VanDerWaalsContact CB-CZ 3.47Å; N330-F376 WeakPolarHBondContact ND2-CE1 3.39Å; N330-F376 WeakPolarHBondContact ND2-CE2 3.23Å; N330-F376 WeakPolarHBondContact ND2-CZ 3.2Å; N330-W378 WeakPolarHBondContact ND2-CH2 3.28Å
331	P	79	Confident	86.6	Confident	49 Å²	49	50.3 Å²	50.3	32%	0.318	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.4	-178.9	28.5	-35	0	0	0	113.3	F333 N334 L336 R363	P331-F333 VanDerWaalsContact C-N 3.25Å; P331-F333 PolarHBondContact O-N 3.23Å; P331-N334 PolarHBondContact O-N 3.49Å; P331-N334 VanDerWaalsContact O-O 3.04Å; P331-L336 HydrophobicContact CB-CD2 4.04Å; P331-R363 PolarHBondContact O-NH2 2.96Å
332	H	83.2	Confident	86.2	Confident	55 Å²	55	50.9 Å²	50.9	26%	0.255	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.2	176.9	-68.5	-115.5	0	0	0	113.2	N330 R363 F365	N330-H332 PolarHBondContact O-N 3.35Å; N330-H332 VanDerWaalsContact O-N 3.1Å; N330-H332 VanDerWaalsContact OD1-CB 3.23Å; N330-H332 WeakPolarHBondContact OD1-CB 3.38Å; N330-H332 PolarHBondContact OD1-CD2 3.09Å; N330-H332 PolarHBondContact OD1-N 3.2Å; H332-R363 PolarHBondContact CE1-NH1 3.22Å; H332-R363 VanDerWaalsContact CE1-NH1 3.27Å; H332-R363 PolarHBondContact ND1-NH1 2.92Å; H332-R363 PolarHBondContact NE2-NH1 2.88Å; H332-F365 HydrophobicContact CB-CD1 3.87Å; H332-F365 HydrophobicContact CB-CD2 4.49Å; H332-F365 HydrophobicContact CB-CE1 3.6Å; H332-F365 HydrophobicContact CB-CE2 4.25Å; H332-F365 HydrophobicContact CB-CG 4.32Å; H332-F365 HydrophobicContact CB-CZ 3.8Å; H332-F365 AromaticContact ND1-CD2 3.9Å; H332-F365 AromaticContact ND1-CE2 3.68Å; H332-F365 WeakPolarHBondContact O-CD1 3.41Å
333	F	86.9	Confident	86.1	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.252	C	S	.	.	S	Bend	trans	-93.8	-7.9	178.9	-72.4	-105.4	0	0	0	113.2	L281 W292 N330 P331 I354 F365 A367 Y368 M369 F376	L281-F333 WeakPolarHBondContact CD2-O 3.35Å; W292-F333 HydrophobicContact CH2-CB 4.12Å; W292-F333 HydrophobicContact CH2-CD1 4.02Å; W292-F333 HydrophobicContact CZ3-CB 4.06Å; W292-F333 HydrophobicContact CZ3-CD1 4.43Å; N330-F333 HydrophobicContact CB-CD2 4.19Å; N330-F333 PolarHBondContact O-N 3.41Å; P331-F333 VanDerWaalsContact C-N 3.25Å; P331-F333 PolarHBondContact O-N 3.23Å; F333-I354 HydrophobicContact CB-CD1 4Å; F333-I354 HydrophobicContact CD1-CD1 3.33Å; F333-I354 HydrophobicContact CE1-CD1 3.94Å; F333-I354 HydrophobicContact CG-CD1 3.83Å; F333-F365 HydrophobicContact CD2-CE1 4.19Å; F333-F365 AromaticContact CE2-CE1 3.69Å; F333-F365 HydrophobicContact CE2-CE1 3.69Å; F333-F365 HydrophobicContact CE2-CZ 4.38Å; F333-F365 HydrophobicContact CZ-CE1 4.05Å; F333-A367 HydrophobicContact CZ-CB 3.97Å; F333-Y368 WeakPolarHBondContact CZ-O 3.44Å; F333-M369 HydrophobicContact CD1-CE 3.93Å; F333-M369 HydrophobicContact CE1-CE 3.8Å; F333-M369 HydrophobicContact CE1-SD 4.29Å; F333-F376 AromaticContact CD2-CE1 3.9Å; F333-F376 HydrophobicContact CD2-CE1 3.9Å; F333-F376 AromaticContact CE2-CD1 3.81Å; F333-F376 HydrophobicContact CE2-CD1 3.81Å; F333-F376 AromaticContact CE2-CE1 3.34Å; F333-F376 HydrophobicContact CE2-CE1 3.34Å; F333-F376 HydrophobicContact CE2-CZ 4.34Å; F333-F376 HydrophobicContact CZ-CD1 4.09Å; F333-F376 AromaticContact CZ-CE1 3.77Å; F333-F376 HydrophobicContact CZ-CE1 3.77Å
334	N	88.4	Confident	86.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-123	157.1	-174.4	-162.3	12.6	0	0	0	112.8	S280 C294 Y295 P331 A356	S280-N334 VanDerWaalsContact CB-OD1 3.3Å; S280-N334 WeakPolarHBondContact CB-OD1 3.35Å; S280-N334 PolarHBondContact OG-ND2 2.64Å; S280-N334 PolarHBondContact OG-OD1 3.17Å; C294-N334 HydrophobicContact CB-CB 3.8Å; C294-N334 WeakPolarHBondContact CB-ND2 3.36Å; C294-N334 WeakPolarHBondContact CB-OD1 3.36Å; Y295-N334 PolarHBondContact O-ND2 3.06Å; P331-N334 PolarHBondContact O-N 3.49Å; P331-N334 VanDerWaalsContact O-O 3.04Å; N334-A356 WeakPolarHBondContact O-CB 3.4Å
335	S	89.1	Confident	86.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.			trans	-93.7	126.7	166.9	-165.5	0	0	0	0	109.6	S280 Y337 K340 F357	S280-S335 WeakPolarHBondContact CB-O 3.45Å; S335-Y337 PolarHBondContact O-N 3.4Å; S335-K340 VanDerWaalsContact CB-O 3.29Å; S335-K340 WeakPolarHBondContact CB-O 3.41Å; S335-K340 PolarHBondContact OG-O 3.1Å; S335-F357 PolarHBondContact OG-N 3.43Å
336	L	86.6	Confident	86.4	Confident	19 Å²	19	39.2 Å²	39.2	10%	0.099	20%	0.198	C	C	.	.	S	Bend	trans	-77.9	0.7	-174.9	-55.7	-177.4	0	0	0	113.5	V296 L308 P331 F357 L359	V296-L336 HydrophobicContact CG1-CD2 4.28Å; L308-L336 HydrophobicContact CD2-CB 4.25Å; L308-L336 HydrophobicContact CD2-CD1 3.82Å; L308-L336 HydrophobicContact CD2-CD2 3.88Å; L308-L336 HydrophobicContact CD2-CG 4.19Å; P331-L336 HydrophobicContact CB-CD2 4.04Å; L336-F357 PolarHBondContact N-O 3.47Å; L336-L359 HydrophobicContact CB-CD2 4.31Å; L336-L359 HydrophobicContact CD1-CD2 4.24Å; L336-L359 HydrophobicContact CD1-CG 3.98Å
337	Y	83.7	Confident	86.5	Confident	93 Å²	93	38.7 Å²	38.7	37%	0.365	20%	0.196	S	C	.	.			trans	-123.8	108.1	172.9	-64.1	-75.2	0	0	0	109.9	S335 D339 K340 F357 T358	S335-Y337 PolarHBondContact O-N 3.4Å; Y337-D339 PolarHBondContact O-N 2.96Å; Y337-K340 CarbonylContact O-C 3.53Å; Y337-K340 WeakPolarHBondContact O-CA 3.31Å; Y337-K340 PolarHBondContact O-N 3.15Å; Y337-F357 HydrophobicContact CD2-CB 3.84Å; Y337-T358 WeakPolarHBondContact CE2-O 3.4Å
338	P	80.4	Confident	86.5	Confident	19 Å²	19	37.1 Å²	37.1	12%	0.123	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	178.7	-28.9	37.8	0	0	0	114.7	E278 V296 K340	E278-P338 HydrophobicContact CB-CB 4.2Å; E278-P338 HydrophobicContact CB-CG 3.87Å; E278-P338 VanDerWaalsContact OE2-CB 3.27Å; E278-P338 WeakPolarHBondContact OE2-CB 3.33Å; E278-P338 WeakPolarHBondContact OE2-CG 3.46Å; V296-P338 HydrophobicContact CG2-CG 3.48Å; V296-P338 VanDerWaalsContact CG2-CG 3.48Å; P338-K340 PolarHBondContact O-N 3.32Å
339	D	80.1	Confident	86.6	Confident	116 Å²	116	38.6 Å²	38.6	62%	0.62	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.2	171.8	-66.3	-86.7	0	0	0	114.2	R238 Y337	R238-D339 IonicContact CZ-OD1 3.15Å; R238-D339 IonicContact CZ-OD2 2.78Å; R238-D339 IonicContact NH1-OD1 2.85Å; R238-D339 IonicContact NH1-OD2 2.83Å; R238-D339 PolarHBondContact NH1-OD2 3.14Å; R238-D339 VanDerWaalsContact NH2-CG 3.29Å; R238-D339 IonicContact NH2-OD1 2.84Å; R238-D339 PolarHBondContact NH2-OD1 3.08Å; R238-D339 IonicContact NH2-OD2 2.74Å; Y337-D339 PolarHBondContact O-N 2.96Å
340	K	83.9	Confident	87	Confident	83 Å²	83	32.9 Å²	32.9	36%	0.361	19%	0.188	S	C	.	.	S	Bend	trans	-127.2	72.4	-178.1	-59.6	-176.3	176.9	-173.3	0	110.1	S335 Y337 P338 F357	S335-K340 VanDerWaalsContact CB-O 3.29Å; S335-K340 WeakPolarHBondContact CB-O 3.41Å; S335-K340 PolarHBondContact OG-O 3.1Å; Y337-K340 CarbonylContact O-C 3.53Å; Y337-K340 WeakPolarHBondContact O-CA 3.31Å; Y337-K340 PolarHBondContact O-N 3.15Å; P338-K340 PolarHBondContact O-N 3.32Å; K340-F357 HydrophobicContact CB-CD2 3.49Å; K340-F357 VanDerWaalsContact CB-CD2 3.49Å; K340-F357 HydrophobicContact CB-CE2 3.64Å; K340-F357 HydrophobicContact CB-CG 4.26Å; K340-F357 HydrophobicContact CB-CZ 4.49Å; K340-F357 HydrophobicContact CD-CD1 3.83Å; K340-F357 HydrophobicContact CD-CD2 3.67Å; K340-F357 HydrophobicContact CD-CE1 3.82Å; K340-F357 HydrophobicContact CD-CE2 3.67Å; K340-F357 HydrophobicContact CD-CG 3.75Å; K340-F357 HydrophobicContact CD-CZ 3.74Å; K340-F357 HydrophobicContact CG-CD2 4.25Å; K340-F357 HydrophobicContact CG-CE2 4.19Å
341	P	79.5	Confident	87.9	Confident	73 Å²	73	33.6 Å²	33.6	47%	0.474	19%	0.191	S	C	.	.			trans	-60.8	146.6	-178.4	26	-35.2	0	0	0	111.6
342	P	86.8	Confident	88.7	Confident	15 Å²	15	31.4 Å²	31.4	10%	0.097	18%	0.176	C	C	.	.			trans	-82	161	-178.4	33.2	-32.1	0	0	0	112.6	L281 V344 S355 A356	L281-P342 HydrophobicContact CB-CG 3.99Å; L281-P342 HydrophobicContact CD1-CG 3.71Å; L281-P342 HydrophobicContact CD2-CG 3.9Å; L281-P342 HydrophobicContact CG-CG 4.06Å; P342-V344 HydrophobicContact CB-CG2 4.34Å; P342-V344 HydrophobicContact CG-CG2 4.29Å; P342-S355 CarbonylContact C-O 3.57Å; P342-S355 WeakPolarHBondContact CA-O 3.37Å; P342-S355 WeakPolarHBondContact CB-O 3.48Å; P342-A356 HydrophobicContact CB-CB 3.81Å
343	S	90.6	Very high	89.3	Confident	9 Å²	9	28.8 Å²	28.8	6%	0.063	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.4	168.2	165.7	0	0	0	0	110.1	S355 T400 P1161	S343-S355 WeakPolarHBondContact CB-OG 3.42Å; S343-S355 PolarHBondContact N-O 2.82Å; S343-S355 VanDerWaalsContact N-O 3.1Å; S343-S355 PolarHBondContact N-OG 2.91Å; S343-S355 PolarHBondContact O-N 3.21Å; S343-S355 PolarHBondContact O-OG 3.48Å; S343-T400 VanDerWaalsContact OG-CB 3.29Å; S343-T400 WeakPolarHBondContact OG-CB 3.35Å; S343-T400 PolarHBondContact OG-N 3.17Å; S343-T400 PolarHBondContact OG-OG1 2.81Å; S343-P1161 PolarHBondContact OG-O 3.3Å
344	V	93.4	Very high	89.7	Confident	10 Å²	10	28.8 Å²	28.8	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	102.8	-158.6	173.5	0	0	0	0	111.1	L281 A283 W292 P342 T352 Y353 I354 S1162	L281-V344 HydrophobicContact CD1-CG2 4.02Å; L281-V344 HydrophobicContact CD2-CG2 3.89Å; A283-V344 HydrophobicContact CB-CG1 4.14Å; W292-V344 HydrophobicContact CH2-CG1 4.3Å; W292-V344 HydrophobicContact CZ2-CG1 3.57Å; P342-V344 HydrophobicContact CB-CG2 4.34Å; P342-V344 HydrophobicContact CG-CG2 4.29Å; V344-T352 HydrophobicContact CG1-CG2 3.86Å; V344-Y353 CarbonylContact C-O 3.57Å; V344-Y353 WeakPolarHBondContact CA-O 3.32Å; V344-I354 HydrophobicContact CG1-CG1 4.24Å; V344-I354 HydrophobicContact CG2-CG1 4.24Å; V344-I354 HydrophobicContact CG2-CG2 4.19Å; V344-S1162 VanDerWaalsContact C-CB 3.46Å; V344-S1162 WeakPolarHBondContact O-CB 3.31Å; V344-S1162 PolarHBondContact O-OG 3.45Å
345	L	94.7	Very high	89.9	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.6	-175.9	171.5	60.7	0	0	0	112.3	A347 T352 Y353 T400 E402 I407 T1163	L345-A347 HydrophobicContact CD2-CB 4.48Å; L345-A347 HydrophobicContact CG-CB 4.23Å; L345-A347 PolarHBondContact O-N 2.02Å; L345-T352 CarbonylContact O-C 3.56Å; L345-T352 VanDerWaalsContact O-CA 3.3Å; L345-T352 WeakPolarHBondContact O-CA 3.37Å; L345-Y353 PolarHBondContact N-O 3.22Å; L345-Y353 PolarHBondContact O-N 3.25Å; L345-T400 HydrophobicContact CB-CG2 3.83Å; L345-T400 HydrophobicContact CD2-CG2 3.83Å; L345-E402 HydrophobicContact CD2-CB 4.09Å; L345-I407 HydrophobicContact CD2-CD1 4.34Å; L345-I407 HydrophobicContact CD2-CG2 4.09Å; L345-T1163 WeakPolarHBondContact CD1-O 3.05Å
346	N	94.6	Very high	90	Very high	11 Å²	11	29 Å²	29	6%	0.059	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	83.9	170.9	-59.2	-35.9	0	0	0	109.9	K284 M285 P286 T352	K284-N346 PolarHBondContact O-ND2 3.42Å; M285-N346 PolarHBondContact O-ND2 3.15Å; P286-N346 HydrophobicContact CB-CB 4.18Å; P286-N346 HydrophobicContact CG-CB 4.26Å; N346-T352 VanDerWaalsContact OD1-CG2 3.26Å; N346-T352 WeakPolarHBondContact OD1-CG2 3.37Å; N346-T352 PolarHBondContact OD1-OG1 3.04Å
347	A	94.4	Very high	90.2	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	16%	0.164	C	C	.	.			trans	-74.7	164.1	-167.9	0	0	0	0	0	113.9	L345 D349 G350 F351 Y353 I407	L345-A347 HydrophobicContact CD2-CB 4.48Å; L345-A347 HydrophobicContact CG-CB 4.23Å; L345-A347 PolarHBondContact O-N 2.02Å; A347-D349 PolarHBondContact O-N 3.05Å; A347-G350 PolarHBondContact O-N 2.92Å; A347-F351 PolarHBondContact N-O 2.78Å; A347-Y353 HydrophobicContact CB-CD2 3.82Å; A347-Y353 HydrophobicContact CB-CE2 3.79Å; A347-I407 HydrophobicContact CB-CD1 3.91Å
348	A	91.7	Very high	90.4	Very high	57 Å²	57	24.9 Å²	24.9	47%	0.471	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.8	179.8	0	0	0	0	0	114.9	G350 E402	A348-G350 VanDerWaalsContact C-N 3.28Å; A348-E402 WeakPolarHBondContact CB-OE2 3.3Å; A348-E402 PolarHBondContact N-OE1 2.81Å; A348-E402 PolarHBondContact N-OE2 3.19Å
349	D	92.1	Very high	90.5	Very high	42 Å²	42	28 Å²	28	23%	0.225	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.1	171.6	64.3	5.3	0	0	0	113.4	A347 F351 Y353 K459	A347-D349 PolarHBondContact O-N 3.05Å; D349-F351 VanDerWaalsContact C-N 3.35Å; D349-F351 HydrophobicContact CB-CD2 4.43Å; D349-F351 PolarHBondContact OD1-N 3.3Å; D349-Y353 WeakPolarHBondContact OD2-CE2 3.31Å; D349-Y353 PolarHBondContact OD2-OH 3.24Å; D349-K459 HydrophobicContact CB-CB 4.13Å; D349-K459 HydrophobicContact CB-CD 4.25Å; D349-K459 HydrophobicContact CB-CG 4.28Å; D349-K459 WeakPolarHBondContact OD2-CB 3.38Å; D349-K459 WeakPolarHBondContact OD2-CG 3.38Å
350	G	92	Very high	90.5	Very high	28 Å²	28	27.3 Å²	27.3	29%	0.289	16%	0.159	S	C	.	.	S	Bend	trans	88.4	-7.7	-179.6	0	0	0	0	0	114.5	A347 A348 Y368	A347-G350 PolarHBondContact O-N 2.92Å; A348-G350 VanDerWaalsContact C-N 3.28Å; G350-Y368 VanDerWaalsContact O-CD1 3.29Å; G350-Y368 WeakPolarHBondContact O-CD1 3.44Å
351	F	95	Very high	90.8	Very high	22 Å²	22	25 Å²	25	10%	0.096	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-89.2	150.5	174.8	-65.4	-81.3	0	0	0	111.8	A347 D349 Y353 R366 Y368	A347-F351 PolarHBondContact N-O 2.78Å; D349-F351 VanDerWaalsContact C-N 3.35Å; D349-F351 HydrophobicContact CB-CD2 4.43Å; D349-F351 PolarHBondContact OD1-N 3.3Å; F351-Y353 HydrophobicContact CB-CD2 4.37Å; F351-Y353 HydrophobicContact CB-CE2 3.87Å; F351-R366 HydrophobicContact CB-CG 3.54Å; F351-R366 HydrophobicContact CD1-CG 3.83Å; F351-R366 HydrophobicContact CD2-CG 4.38Å; F351-R366 HydrophobicContact CG-CG 3.68Å; F351-Y368 HydrophobicContact CD1-CD1 4.12Å; F351-Y368 HydrophobicContact CD1-CD2 4.15Å; F351-Y368 AromaticContact CD1-CE1 3.98Å; F351-Y368 HydrophobicContact CD1-CE1 3.98Å; F351-Y368 HydrophobicContact CD1-CE2 4.02Å; F351-Y368 HydrophobicContact CD1-CG 4.19Å; F351-Y368 AromaticContact CD1-CZ 3.93Å; F351-Y368 HydrophobicContact CE1-CD1 4.37Å; F351-Y368 AromaticContact CE1-CD2 3.76Å; F351-Y368 HydrophobicContact CE1-CD2 3.76Å; F351-Y368 AromaticContact CE1-CE1 3.97Å; F351-Y368 HydrophobicContact CE1-CE1 3.97Å; F351-Y368 AromaticContact CE1-CE2 3.32Å; F351-Y368 HydrophobicContact CE1-CE2 3.32Å; F351-Y368 HydrophobicContact CE1-CG 4.27Å; F351-Y368 AromaticContact CE1-CZ 3.42Å; F351-Y368 VanDerWaalsContact CE1-CZ 3.42Å; F351-Y368 HydrophobicContact CG-CE1 4.32Å; F351-Y368 HydrophobicContact CZ-CE1 4.29Å; F351-Y368 AromaticContact CZ-CE2 3.76Å; F351-Y368 HydrophobicContact CZ-CE2 3.76Å; F351-Y368 AromaticContact CZ-CZ 3.55Å; F351-Y368 WeakPolarHBondContact CZ-OH 2.98Å
352	T	94.9	Very high	91.4	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.9	161.7	-54.4	0	0	0	0	109.7	V344 L345 N346 I354 R366 A367 M369	V344-T352 HydrophobicContact CG1-CG2 3.86Å; L345-T352 CarbonylContact O-C 3.56Å; L345-T352 VanDerWaalsContact O-CA 3.3Å; L345-T352 WeakPolarHBondContact O-CA 3.37Å; N346-T352 VanDerWaalsContact OD1-CG2 3.26Å; N346-T352 WeakPolarHBondContact OD1-CG2 3.37Å; N346-T352 PolarHBondContact OD1-OG1 3.04Å; T352-I354 HydrophobicContact CG2-CD1 4.03Å; T352-I354 HydrophobicContact CG2-CG1 3.69Å; T352-R366 WeakPolarHBondContact O-CA 3.35Å; T352-A367 PolarHBondContact N-O 3.33Å; T352-A367 PolarHBondContact O-N 3.48Å; T352-A367 VanDerWaalsContact O-N 3.12Å; T352-M369 HydrophobicContact CG2-CE 3.62Å; T352-M369 VanDerWaalsContact OG1-CE 3.23Å; T352-M369 WeakPolarHBondContact OG1-CE 2.99Å
353	Y	96.3	Very high	91.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.9	173.2	-67.8	-100.8	0	0	0	108.9	V344 L345 A347 D349 F351 F365 R366 I407 F409 V457 F473	V344-Y353 CarbonylContact C-O 3.57Å; V344-Y353 WeakPolarHBondContact CA-O 3.32Å; L345-Y353 PolarHBondContact N-O 3.22Å; L345-Y353 PolarHBondContact O-N 3.25Å; A347-Y353 HydrophobicContact CB-CD2 3.82Å; A347-Y353 HydrophobicContact CB-CE2 3.79Å; D349-Y353 WeakPolarHBondContact OD2-CE2 3.31Å; D349-Y353 PolarHBondContact OD2-OH 3.24Å; F351-Y353 HydrophobicContact CB-CD2 4.37Å; F351-Y353 HydrophobicContact CB-CE2 3.87Å; Y353-F365 CarbonylContact C-O 3.57Å; Y353-F365 WeakPolarHBondContact CA-O 3.21Å; Y353-R366 HydrophobicContact CD1-CB 3.98Å; Y353-R366 HydrophobicContact CD1-CG 4.06Å; Y353-R366 HydrophobicContact CD2-CG 4.48Å; Y353-R366 HydrophobicContact CE1-CB 3.92Å; Y353-R366 VanDerWaalsContact CE1-CD 3.45Å; Y353-R366 HydrophobicContact CE1-CG 3.7Å; Y353-R366 HydrophobicContact CE2-CG 4.14Å; Y353-R366 HydrophobicContact CG-CG 4.45Å; Y353-R366 WeakPolarHBondContact OH-CD 3.23Å; Y353-I407 HydrophobicContact CD1-CB 4.43Å; Y353-I407 HydrophobicContact CD1-CG1 4.19Å; Y353-I407 HydrophobicContact CD1-CG2 4.16Å; Y353-I407 HydrophobicContact CD2-CD1 4.39Å; Y353-I407 HydrophobicContact CD2-CG1 4.17Å; Y353-I407 HydrophobicContact CE1-CB 4.33Å; Y353-I407 HydrophobicContact CE1-CG1 3.8Å; Y353-I407 HydrophobicContact CE2-CD1 4.1Å; Y353-I407 HydrophobicContact CE2-CG1 3.8Å; Y353-I407 HydrophobicContact CG-CG1 4.36Å; Y353-I407 HydrophobicContact CG-CG2 4.18Å; Y353-F409 HydrophobicContact CD1-CZ 4.2Å; Y353-V457 HydrophobicContact CD1-CG2 4.45Å; Y353-V457 HydrophobicContact CE1-CG2 4Å; Y353-F473 HydrophobicContact CE1-CE1 4.4Å
354	I	94.7	Very high	91.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	-173.8	-60.6	-175.6	0	0	0	109	W292 F333 V344 T352 A356 I364 F365	W292-I354 HydrophobicContact CH2-CD1 3.93Å; W292-I354 HydrophobicContact CZ2-CD1 4.42Å; F333-I354 HydrophobicContact CB-CD1 4Å; F333-I354 HydrophobicContact CD1-CD1 3.33Å; F333-I354 HydrophobicContact CE1-CD1 3.94Å; F333-I354 HydrophobicContact CG-CD1 3.83Å; V344-I354 HydrophobicContact CG1-CG1 4.24Å; V344-I354 HydrophobicContact CG2-CG1 4.24Å; V344-I354 HydrophobicContact CG2-CG2 4.19Å; T352-I354 HydrophobicContact CG2-CD1 4.03Å; T352-I354 HydrophobicContact CG2-CG1 3.69Å; I354-A356 HydrophobicContact CG2-CB 4.12Å; I354-I364 CarbonylContact O-C 3.58Å; I354-I364 WeakPolarHBondContact O-CA 3.5Å; I354-F365 PolarHBondContact N-O 3.35Å; I354-F365 PolarHBondContact O-N 3.38Å
355	S	93.2	Very high	92	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.3	174.7	51.9	0	0	0	0	110.1	P342 S343 R363	P342-S355 CarbonylContact C-O 3.57Å; P342-S355 WeakPolarHBondContact CA-O 3.37Å; P342-S355 WeakPolarHBondContact CB-O 3.48Å; S343-S355 WeakPolarHBondContact CB-OG 3.42Å; S343-S355 PolarHBondContact N-O 2.82Å; S343-S355 VanDerWaalsContact N-O 3.1Å; S343-S355 PolarHBondContact N-OG 2.91Å; S343-S355 PolarHBondContact O-N 3.21Å; S343-S355 PolarHBondContact O-OG 3.48Å; S355-R363 CarbonylContact C-O 3.53Å; S355-R363 VanDerWaalsContact CA-O 3.3Å; S355-R363 WeakPolarHBondContact CA-O 3.47Å
356	A	92.1	Very high	92.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.4	-164.5	0	0	0	0	0	112.4	N334 P342 I354 R363	N334-A356 WeakPolarHBondContact O-CB 3.4Å; P342-A356 HydrophobicContact CB-CB 3.81Å; I354-A356 HydrophobicContact CG2-CB 4.12Å; A356-R363 PolarHBondContact N-O 3.06Å; A356-R363 WeakPolarHBondContact O-CG 3.41Å; A356-R363 PolarHBondContact O-N 2.8Å
357	F	90.2	Very high	92.1	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.057	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.1	175.9	-68.2	-92.9	0	0	0	110.9	S335 L336 Y337 K340 L362 A395	S335-F357 PolarHBondContact OG-N 3.43Å; L336-F357 PolarHBondContact N-O 3.47Å; Y337-F357 HydrophobicContact CD2-CB 3.84Å; K340-F357 HydrophobicContact CB-CD2 3.49Å; K340-F357 VanDerWaalsContact CB-CD2 3.49Å; K340-F357 HydrophobicContact CB-CE2 3.64Å; K340-F357 HydrophobicContact CB-CG 4.26Å; K340-F357 HydrophobicContact CB-CZ 4.49Å; K340-F357 HydrophobicContact CD-CD1 3.83Å; K340-F357 HydrophobicContact CD-CD2 3.67Å; K340-F357 HydrophobicContact CD-CE1 3.82Å; K340-F357 HydrophobicContact CD-CE2 3.67Å; K340-F357 HydrophobicContact CD-CG 3.75Å; K340-F357 HydrophobicContact CD-CZ 3.74Å; K340-F357 HydrophobicContact CG-CD2 4.25Å; K340-F357 HydrophobicContact CG-CE2 4.19Å; F357-L362 HydrophobicContact CD1-CB 3.99Å; F357-L362 HydrophobicContact CD1-CD1 4.43Å; F357-L362 HydrophobicContact CD2-CD1 4.06Å; F357-L362 HydrophobicContact CE1-CB 3.72Å; F357-L362 HydrophobicContact CE1-CD1 4.25Å; F357-L362 HydrophobicContact CE1-CD2 4.39Å; F357-L362 HydrophobicContact CE1-CG 4.33Å; F357-L362 HydrophobicContact CE2-CD1 3.84Å; F357-L362 HydrophobicContact CG-CD1 4.35Å; F357-L362 HydrophobicContact CZ-CB 4.15Å; F357-L362 HydrophobicContact CZ-CD1 3.94Å; F357-L362 HydrophobicContact CZ-CD2 4.04Å; F357-L362 HydrophobicContact CZ-CG 4.27Å; F357-A395 WeakPolarHBondContact CE1-O 3.46Å; F357-A395 WeakPolarHBondContact CZ-O 3.21Å
358	T	87.7	Confident	92	Very high	14 Å²	14	24.7 Å²	24.7	9%	0.086	13%	0.133	C	C	.	.			trans	-79.4	177.9	158.2	65.9	0	0	0	0	109.7	Y337 E360 Y361 R363	Y337-T358 WeakPolarHBondContact CE2-O 3.4Å; T358-E360 PolarHBondContact O-N 3.22Å; T358-E360 VanDerWaalsContact O-N 3.09Å; T358-E360 PolarHBondContact OG1-N 2.85Å; T358-Y361 HydrophobicContact CG2-CE1 4.48Å; T358-Y361 PolarHBondContact N-O 2.97Å; T358-Y361 WeakPolarHBondContact OG1-CD1 3.45Å; T358-Y361 PolarHBondContact OG1-N 3.47Å; T358-Y361 PolarHBondContact OG1-O 2.86Å; T358-R363 HydrophobicContact CG2-CG 3.98Å; T358-R363 VanDerWaalsContact CG2-CZ 3.44Å
359	L	81.8	Confident	92	Very high	83 Å²	83	23.2 Å²	23.2	44%	0.435	12%	0.117	S	C	.	.	S	Bend	trans	-61.3	-11.1	170.2	-60.2	178.6	0	0	0	113.8	L308 L336	L308-L359 HydrophobicContact CB-CD2 4.34Å; L308-L359 HydrophobicContact CD2-CD2 4.13Å; L336-L359 HydrophobicContact CB-CD2 4.31Å; L336-L359 HydrophobicContact CD1-CD2 4.24Å; L336-L359 HydrophobicContact CD1-CG 3.98Å
360	E	80.5	Confident	91.8	Very high	103 Å²	103	22 Å²	22	48%	0.481	11%	0.111	S	C	.	.	S	Bend	trans	-124.3	-37.1	-169.5	-63	-169.5	115.9	0	0	114.5	T358 K386	T358-E360 PolarHBondContact O-N 3.22Å; T358-E360 VanDerWaalsContact O-N 3.09Å; T358-E360 PolarHBondContact OG1-N 2.85Å; E360-K386 IonicContact OE1-NZ 3.71Å; E360-K386 PolarHBondContact OE1-NZ 2.87Å; E360-K386 WeakPolarHBondContact OE2-CE 3.49Å; E360-K386 IonicContact OE2-NZ 2.93Å; E360-K386 PolarHBondContact OE2-NZ 2.64Å
361	Y	89.6	Confident	91.6	Very high	35 Å²	35	23.5 Å²	23.5	14%	0.137	11%	0.112	C	C	.	.			trans	-160	158.2	-174.9	65.5	-75.1	0	0	0	112.8	T358 R363 K386	T358-Y361 HydrophobicContact CG2-CE1 4.48Å; T358-Y361 PolarHBondContact N-O 2.97Å; T358-Y361 WeakPolarHBondContact OG1-CD1 3.45Å; T358-Y361 PolarHBondContact OG1-N 3.47Å; T358-Y361 PolarHBondContact OG1-O 2.86Å; Y361-R363 HydrophobicContact CD2-CB 4.32Å; Y361-R363 HydrophobicContact CE2-CB 3.81Å; Y361-R363 PolarHBondContact O-N 3.34Å; Y361-K386 HydrophobicContact CD1-CB 4.17Å; Y361-K386 HydrophobicContact CD1-CD 3.91Å; Y361-K386 HydrophobicContact CD1-CG 3.65Å; Y361-K386 HydrophobicContact CD2-CB 4.45Å; Y361-K386 HydrophobicContact CE1-CB 3.89Å; Y361-K386 HydrophobicContact CE1-CD 3.8Å; Y361-K386 HydrophobicContact CE1-CG 3.77Å; Y361-K386 HydrophobicContact CE2-CB 4.15Å; Y361-K386 HydrophobicContact CG-CB 4.48Å; Y361-K386 HydrophobicContact CG-CG 4.12Å
362	L	92.6	Very high	91.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	116.1	166.3	178.8	56	0	0	0	110.2	F357 I391 E393 A395 I397	F357-L362 HydrophobicContact CD1-CB 3.99Å; F357-L362 HydrophobicContact CD1-CD1 4.43Å; F357-L362 HydrophobicContact CD2-CD1 4.06Å; F357-L362 HydrophobicContact CE1-CB 3.72Å; F357-L362 HydrophobicContact CE1-CD1 4.25Å; F357-L362 HydrophobicContact CE1-CD2 4.39Å; F357-L362 HydrophobicContact CE1-CG 4.33Å; F357-L362 HydrophobicContact CE2-CD1 3.84Å; F357-L362 HydrophobicContact CG-CD1 4.35Å; F357-L362 HydrophobicContact CZ-CB 4.15Å; F357-L362 HydrophobicContact CZ-CD1 3.94Å; F357-L362 HydrophobicContact CZ-CD2 4.04Å; F357-L362 HydrophobicContact CZ-CG 4.27Å; L362-I391 HydrophobicContact CB-CG2 4.45Å; L362-I391 HydrophobicContact CD2-CG2 4.44Å; L362-E393 WeakPolarHBondContact CB-OE1 3.45Å; L362-E393 PolarHBondContact N-OE1 3.36Å; L362-A395 HydrophobicContact CB-CB 4.32Å; L362-A395 HydrophobicContact CD2-CB 3.74Å; L362-I397 HydrophobicContact CD1-CD1 4.42Å; L362-I397 HydrophobicContact CD2-CD1 4Å; L362-I397 HydrophobicContact CD2-CG1 4.05Å; L362-I397 HydrophobicContact CG-CD1 4.31Å
363	R	93.2	Very high	90.7	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.4	172.8	61.4	175.7	165.1	-156	-7.6	111.6	P331 H332 S355 A356 T358 Y361 V383	P331-R363 PolarHBondContact O-NH2 2.96Å; H332-R363 PolarHBondContact CE1-NH1 3.22Å; H332-R363 VanDerWaalsContact CE1-NH1 3.27Å; H332-R363 PolarHBondContact ND1-NH1 2.92Å; H332-R363 PolarHBondContact NE2-NH1 2.88Å; S355-R363 CarbonylContact C-O 3.53Å; S355-R363 VanDerWaalsContact CA-O 3.3Å; S355-R363 WeakPolarHBondContact CA-O 3.47Å; A356-R363 PolarHBondContact N-O 3.06Å; A356-R363 WeakPolarHBondContact O-CG 3.41Å; A356-R363 PolarHBondContact O-N 2.8Å; T358-R363 HydrophobicContact CG2-CG 3.98Å; T358-R363 VanDerWaalsContact CG2-CZ 3.44Å; Y361-R363 HydrophobicContact CD2-CB 4.32Å; Y361-R363 HydrophobicContact CE2-CB 3.81Å; Y361-R363 PolarHBondContact O-N 3.34Å; R363-V383 HydrophobicContact CB-CG2 4.05Å
364	I	95.8	Very high	90	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.1	154.5	-63.6	162.6	0	0	0	107.1	I354 V383 T384 I391 I397 F409 V455 F473 F476	I354-I364 CarbonylContact O-C 3.58Å; I354-I364 WeakPolarHBondContact O-CA 3.5Å; I364-V383 CarbonylContact O-C 3.58Å; I364-V383 WeakPolarHBondContact O-CA 3.17Å; I364-V383 WeakPolarHBondContact O-CG2 3.22Å; I364-T384 HydrophobicContact CB-CG2 3.76Å; I364-T384 HydrophobicContact CD1-CG2 4.28Å; I364-T384 HydrophobicContact CG1-CG2 4.39Å; I364-T384 PolarHBondContact N-OG1 3.32Å; I364-T384 PolarHBondContact O-N 2.8Å; I364-T384 PolarHBondContact O-OG1 2.68Å; I364-I391 HydrophobicContact CD1-CD1 4.11Å; I364-I391 HydrophobicContact CG1-CD1 4.33Å; I364-I397 HydrophobicContact CD1-CD1 4.12Å; I364-I397 HydrophobicContact CG1-CD1 3.84Å; I364-F409 HydrophobicContact CB-CE1 4.45Å; I364-F409 HydrophobicContact CB-CZ 4.44Å; I364-F409 HydrophobicContact CD1-CB 4.18Å; I364-F409 HydrophobicContact CD1-CD1 3.9Å; I364-F409 HydrophobicContact CD1-CD2 3.71Å; I364-F409 HydrophobicContact CD1-CE1 4.2Å; I364-F409 HydrophobicContact CD1-CE2 4.04Å; I364-F409 HydrophobicContact CD1-CG 3.66Å; I364-F409 HydrophobicContact CD1-CZ 4.29Å; I364-F409 HydrophobicContact CG1-CD1 3.99Å; I364-F409 HydrophobicContact CG1-CE1 4.02Å; I364-F409 HydrophobicContact CG1-CG 4.28Å; I364-F409 HydrophobicContact CG1-CZ 4.34Å; I364-F409 HydrophobicContact CG2-CD1 4.41Å; I364-F409 HydrophobicContact CG2-CE1 3.63Å; I364-F409 HydrophobicContact CG2-CE2 3.81Å; I364-F409 HydrophobicContact CG2-CZ 3.29Å; I364-V455 HydrophobicContact CD1-CG1 4.13Å; I364-F473 HydrophobicContact CG2-CE2 4.11Å; I364-F473 HydrophobicContact CG2-CZ 4.22Å; I364-F476 HydrophobicContact CD1-CE2 4.48Å
365	F	95.2	Very high	89.5	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.8	-177.6	177.8	-115.5	0	0	0	109.6	H332 F333 Y353 I354 A367 W378 A381 L382 V383	H332-F365 HydrophobicContact CB-CD1 3.87Å; H332-F365 HydrophobicContact CB-CD2 4.49Å; H332-F365 HydrophobicContact CB-CE1 3.6Å; H332-F365 HydrophobicContact CB-CE2 4.25Å; H332-F365 HydrophobicContact CB-CG 4.32Å; H332-F365 HydrophobicContact CB-CZ 3.8Å; H332-F365 AromaticContact ND1-CD2 3.9Å; H332-F365 AromaticContact ND1-CE2 3.68Å; H332-F365 WeakPolarHBondContact O-CD1 3.41Å; F333-F365 HydrophobicContact CD2-CE1 4.19Å; F333-F365 AromaticContact CE2-CE1 3.69Å; F333-F365 HydrophobicContact CE2-CE1 3.69Å; F333-F365 HydrophobicContact CE2-CZ 4.38Å; F333-F365 HydrophobicContact CZ-CE1 4.05Å; Y353-F365 CarbonylContact C-O 3.57Å; Y353-F365 WeakPolarHBondContact CA-O 3.21Å; I354-F365 PolarHBondContact N-O 3.35Å; I354-F365 PolarHBondContact O-N 3.38Å; F365-A367 HydrophobicContact CD1-CB 4.44Å; F365-A367 HydrophobicContact CE1-CB 3.5Å; F365-A367 VanDerWaalsContact CE1-CB 3.5Å; F365-A367 HydrophobicContact CE2-CB 4.39Å; F365-A367 HydrophobicContact CZ-CB 3.48Å; F365-A367 VanDerWaalsContact CZ-CB 3.48Å; F365-W378 HydrophobicContact CE2-CZ3 4.32Å; F365-W378 AromaticContact CZ-CZ3 3.86Å; F365-W378 HydrophobicContact CZ-CZ3 3.86Å; F365-A381 HydrophobicContact CE2-CB 4.47Å; F365-L382 CarbonylContact C-O 3.42Å; F365-L382 VanDerWaalsContact CA-O 3.31Å; F365-L382 WeakPolarHBondContact CA-O 3.42Å; F365-L382 VanDerWaalsContact CD2-O 3.26Å; F365-L382 WeakPolarHBondContact CD2-O 3.45Å; F365-V383 HydrophobicContact CD2-CB 4.17Å; F365-V383 HydrophobicContact CD2-CG2 4.49Å
366	R	95.8	Very high	89.2	Confident	7 Å²	7	42.7 Å²	42.7	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	171.7	-178.5	-174.8	76.2	-172.5	0.2	108.1	F351 T352 Y353 G380 A381 L382 K459 D461 F473	F351-R366 HydrophobicContact CB-CG 3.54Å; F351-R366 HydrophobicContact CD1-CG 3.83Å; F351-R366 HydrophobicContact CD2-CG 4.38Å; F351-R366 HydrophobicContact CG-CG 3.68Å; T352-R366 WeakPolarHBondContact O-CA 3.35Å; Y353-R366 HydrophobicContact CD1-CB 3.98Å; Y353-R366 HydrophobicContact CD1-CG 4.06Å; Y353-R366 HydrophobicContact CD2-CG 4.48Å; Y353-R366 HydrophobicContact CE1-CB 3.92Å; Y353-R366 VanDerWaalsContact CE1-CD 3.45Å; Y353-R366 HydrophobicContact CE1-CG 3.7Å; Y353-R366 HydrophobicContact CE2-CG 4.14Å; Y353-R366 HydrophobicContact CG-CG 4.45Å; Y353-R366 WeakPolarHBondContact OH-CD 3.23Å; R366-G380 PolarHBondContact NE-O 3.5Å; R366-G380 PolarHBondContact NH2-O 3.14Å; R366-A381 CarbonylContact O-C 3.5Å; R366-A381 WeakPolarHBondContact O-CA 3.4Å; R366-L382 HydrophobicContact CB-CB 4.48Å; R366-L382 PolarHBondContact N-O 3.12Å; R366-L382 PolarHBondContact O-N 3.15Å; R366-K459 PolarHBondContact NH1-O 3.11Å; R366-D461 PolarHBondContact NH1-O 2.61Å; R366-D461 PolarHBondContact NH2-O 2.93Å; R366-F473 HydrophobicContact CB-CE1 4.11Å; R366-F473 HydrophobicContact CB-CZ 3.81Å
367	A	94.3	Very high	89	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	168.8	167.7	0	0	0	0	0	110.7	F333 T352 F365 A381	F333-A367 HydrophobicContact CZ-CB 3.97Å; T352-A367 PolarHBondContact N-O 3.33Å; T352-A367 PolarHBondContact O-N 3.48Å; T352-A367 VanDerWaalsContact O-N 3.12Å; F365-A367 HydrophobicContact CD1-CB 4.44Å; F365-A367 HydrophobicContact CE1-CB 3.5Å; F365-A367 VanDerWaalsContact CE1-CB 3.5Å; F365-A367 HydrophobicContact CE2-CB 4.39Å; F365-A367 HydrophobicContact CZ-CB 3.48Å; F365-A367 VanDerWaalsContact CZ-CB 3.48Å; A367-A381 HydrophobicContact CB-CB 4.14Å
368	Y	93	Very high	89	Confident	77 Å²	77	52.2 Å²	52.2	30%	0.302	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-69.5	156.2	163.6	-68.6	-68.1	0	0	0	110.3	F333 G350 F351 N377	F333-Y368 WeakPolarHBondContact CZ-O 3.44Å; G350-Y368 VanDerWaalsContact O-CD1 3.29Å; G350-Y368 WeakPolarHBondContact O-CD1 3.44Å; F351-Y368 HydrophobicContact CD1-CD1 4.12Å; F351-Y368 HydrophobicContact CD1-CD2 4.15Å; F351-Y368 AromaticContact CD1-CE1 3.98Å; F351-Y368 HydrophobicContact CD1-CE1 3.98Å; F351-Y368 HydrophobicContact CD1-CE2 4.02Å; F351-Y368 HydrophobicContact CD1-CG 4.19Å; F351-Y368 AromaticContact CD1-CZ 3.93Å; F351-Y368 HydrophobicContact CE1-CD1 4.37Å; F351-Y368 AromaticContact CE1-CD2 3.76Å; F351-Y368 HydrophobicContact CE1-CD2 3.76Å; F351-Y368 AromaticContact CE1-CE1 3.97Å; F351-Y368 HydrophobicContact CE1-CE1 3.97Å; F351-Y368 AromaticContact CE1-CE2 3.32Å; F351-Y368 HydrophobicContact CE1-CE2 3.32Å; F351-Y368 HydrophobicContact CE1-CG 4.27Å; F351-Y368 AromaticContact CE1-CZ 3.42Å; F351-Y368 VanDerWaalsContact CE1-CZ 3.42Å; F351-Y368 HydrophobicContact CG-CE1 4.32Å; F351-Y368 HydrophobicContact CZ-CE1 4.29Å; F351-Y368 AromaticContact CZ-CE2 3.76Å; F351-Y368 HydrophobicContact CZ-CE2 3.76Å; F351-Y368 AromaticContact CZ-CZ 3.55Å; F351-Y368 WeakPolarHBondContact CZ-OH 2.98Å; Y368-N377 HydrophobicContact CD2-CB 4.19Å
369	M	90.9	Very high	89.1	Confident	26 Å²	26	56.4 Å²	56.4	13%	0.128	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-60.4	157.4	162	-81.4	-69.6	137.6	0	0	110.5	P286 W292 F333 T352	P286-M369 HydrophobicContact CG-CG 4.03Å; W292-M369 HydrophobicContact CH2-CE 4Å; W292-M369 HydrophobicContact CZ2-CE 3.4Å; W292-M369 HydrophobicContact CZ2-SD 4.39Å; F333-M369 HydrophobicContact CD1-CE 3.93Å; F333-M369 HydrophobicContact CE1-CE 3.8Å; F333-M369 HydrophobicContact CE1-SD 4.29Å; T352-M369 HydrophobicContact CG2-CE 3.62Å; T352-M369 VanDerWaalsContact OG1-CE 3.23Å; T352-M369 WeakPolarHBondContact OG1-CE 2.99Å
370	P	89.1	Confident	89.5	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.104	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-55.7	154.8	168.2	-17.7	28.2	0	0	0	111.9	W328 N375 F376	W328-P370 HydrophobicContact CD2-CG 3.66Å; W328-P370 HydrophobicContact CE3-CG 3.9Å; W328-P370 HydrophobicContact CG-CG 4.05Å; W328-P370 HydrophobicContact CH2-CG 4.42Å; W328-P370 HydrophobicContact CZ2-CG 4.21Å; W328-P370 HydrophobicContact CZ3-CG 4.29Å; P370-N375 VanDerWaalsContact CA-O 3.29Å; P370-N375 WeakPolarHBondContact CA-O 3.4Å; P370-F376 HydrophobicContact CB-CE1 4.46Å; P370-F376 HydrophobicContact CG-CD1 4.4Å; P370-F376 HydrophobicContact CG-CE1 3.71Å; P370-F376 HydrophobicContact CG-CZ 4.01Å
371	D	88.5	Confident	90.2	Very high	59 Å²	59	50 Å²	50	32%	0.316	25%	0.253	S	S	.	.			trans	-70.6	174.1	162.9	78.1	-3.4	0	0	0	111.1	N373 G374 N375	D371-N373 PolarHBondContact O-N 2.85Å; D371-N373 VanDerWaalsContact OD1-C 3.3Å; D371-N373 VanDerWaalsContact OD1-CA 3.28Å; D371-N373 WeakPolarHBondContact OD1-CA 3.42Å; D371-N373 VanDerWaalsContact OD1-CB 3.31Å; D371-N373 WeakPolarHBondContact OD1-CB 3.5Å; D371-N373 PolarHBondContact OD1-N 2.8Å; D371-N373 PolarHBondContact OD2-ND2 3.27Å; D371-G374 PolarHBondContact O-N 3.4Å; D371-G374 PolarHBondContact OD1-N 3.21Å; D371-N375 PolarHBondContact N-O 3.22Å; D371-N375 WeakPolarHBondContact OD1-CB 3.49Å; D371-N375 PolarHBondContact OD1-N 3.25Å; D371-N375 PolarHBondContact OD1-ND2 2.64Å; D371-N375 PolarHBondContact OD2-ND2 2.83Å
372	W	85.7	Confident	90.5	Very high	144 Å²	144	48.5 Å²	48.5	55%	0.545	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.4	177.3	-67.6	101.7	0	0	0	114.4	M290 L325 I326	M290-W372 HydrophobicContact CE-CH2 4.01Å; M290-W372 HydrophobicContact SD-CH2 4.41Å; L325-W372 HydrophobicContact CB-CZ3 4.3Å; L325-W372 HydrophobicContact CD1-CZ3 4.46Å; I326-W372 HydrophobicContact CD1-CD2 4.02Å; I326-W372 HydrophobicContact CD1-CE3 3.5Å; I326-W372 VanDerWaalsContact CD1-CE3 3.5Å; I326-W372 HydrophobicContact CD1-CZ3 3.8Å; I326-W372 HydrophobicContact CG1-CD2 4.45Å; I326-W372 HydrophobicContact CG1-CE3 3.57Å; I326-W372 HydrophobicContact CG1-CZ3 3.93Å
373	N	84.8	Confident	90.6	Very high	131 Å²	131	49.2 Å²	49.2	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-1.5	172.9	-45.9	-68.1	0	0	0	112.3	D371 N375	D371-N373 PolarHBondContact O-N 2.85Å; D371-N373 VanDerWaalsContact OD1-C 3.3Å; D371-N373 VanDerWaalsContact OD1-CA 3.28Å; D371-N373 WeakPolarHBondContact OD1-CA 3.42Å; D371-N373 VanDerWaalsContact OD1-CB 3.31Å; D371-N373 WeakPolarHBondContact OD1-CB 3.5Å; D371-N373 PolarHBondContact OD1-N 2.8Å; D371-N373 PolarHBondContact OD2-ND2 3.27Å; N373-N375 WeakPolarHBondContact CB-ND2 3.21Å
374	G	80.5	Confident	90.7	Very high	14 Å²	14	48.4 Å²	48.4	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	84.6	5.1	-175.7	0	0	0	0	0	115.3	D371	D371-G374 PolarHBondContact O-N 3.4Å; D371-G374 PolarHBondContact OD1-N 3.21Å
375	N	85.6	Confident	90.4	Very high	97 Å²	97	50.4 Å²	50.4	52%	0.519	26%	0.26	S	S	.	.			trans	-76.3	144	180	-59	-57.4	0	0	0	112.1	P370 D371 N373	P370-N375 VanDerWaalsContact CA-O 3.29Å; P370-N375 WeakPolarHBondContact CA-O 3.4Å; D371-N375 PolarHBondContact N-O 3.22Å; D371-N375 WeakPolarHBondContact OD1-CB 3.49Å; D371-N375 PolarHBondContact OD1-N 3.25Å; D371-N375 PolarHBondContact OD1-ND2 2.64Å; D371-N375 PolarHBondContact OD2-ND2 2.83Å; N373-N375 WeakPolarHBondContact CB-ND2 3.21Å
376	F	86.2	Confident	90.2	Very high	46 Å²	46	54.7 Å²	54.7	20%	0.202	28%	0.279	C	S	.	.			trans	-99	119.3	177.7	-68.7	-80.9	0	0	0	112.5	W328 N330 F333 P370 W378	W328-F376 HydrophobicContact CB-CE2 4.24Å; W328-F376 HydrophobicContact CB-CZ 3.96Å; W328-F376 AromaticContact CD1-CZ 3.52Å; W328-F376 AromaticContact CG-CZ 3.82Å; W328-F376 HydrophobicContact CG-CZ 3.82Å; N330-F376 HydrophobicContact CB-CE1 4.19Å; N330-F376 HydrophobicContact CB-CE2 3.92Å; N330-F376 HydrophobicContact CB-CZ 3.47Å; N330-F376 VanDerWaalsContact CB-CZ 3.47Å; N330-F376 WeakPolarHBondContact ND2-CE1 3.39Å; N330-F376 WeakPolarHBondContact ND2-CE2 3.23Å; N330-F376 WeakPolarHBondContact ND2-CZ 3.2Å; F333-F376 AromaticContact CD2-CE1 3.9Å; F333-F376 HydrophobicContact CD2-CE1 3.9Å; F333-F376 AromaticContact CE2-CD1 3.81Å; F333-F376 HydrophobicContact CE2-CD1 3.81Å; F333-F376 AromaticContact CE2-CE1 3.34Å; F333-F376 HydrophobicContact CE2-CE1 3.34Å; F333-F376 HydrophobicContact CE2-CZ 4.34Å; F333-F376 HydrophobicContact CZ-CD1 4.09Å; F333-F376 AromaticContact CZ-CE1 3.77Å; F333-F376 HydrophobicContact CZ-CE1 3.77Å; P370-F376 HydrophobicContact CB-CE1 4.46Å; P370-F376 HydrophobicContact CG-CD1 4.4Å; P370-F376 HydrophobicContact CG-CE1 3.71Å; P370-F376 HydrophobicContact CG-CZ 4.01Å; F376-W378 HydrophobicContact CB-CD2 4.22Å; F376-W378 HydrophobicContact CB-CG 4.4Å; F376-W378 HydrophobicContact CB-CZ2 4Å; F376-W378 HydrophobicContact CD2-CZ2 4.33Å; F376-W378 HydrophobicContact CG-CZ2 4.06Å; F376-W378 VanDerWaalsContact O-CD1 3.3Å; F376-W378 PolarHBondContact O-N 3.13Å
377	N	88.4	Confident	89.8	Confident	82 Å²	82	57.5 Å²	57.5	44%	0.439	29%	0.294	S	S	.	.			trans	-79.2	96.1	161.7	-174.1	1.1	0	0	0	110	Y368 T379	Y368-N377 HydrophobicContact CD2-CB 4.19Å; N377-T379 PolarHBondContact O-N 3.4Å; N377-T379 WeakPolarHBondContact OD1-CB 3.34Å; N377-T379 PolarHBondContact OD1-N 2.91Å; N377-T379 PolarHBondContact OD1-OG1 3.27Å
378	W	89	Confident	89.5	Confident	132 Å²	132	60.7 Å²	60.7	50%	0.5	32%	0.315	S	S	.	.			trans	-73.9	-1	177.2	-61.6	100.1	0	0	0	114.2	N330 F365 F376 G380 A381	N330-W378 WeakPolarHBondContact ND2-CH2 3.28Å; F365-W378 HydrophobicContact CE2-CZ3 4.32Å; F365-W378 AromaticContact CZ-CZ3 3.86Å; F365-W378 HydrophobicContact CZ-CZ3 3.86Å; F376-W378 HydrophobicContact CB-CD2 4.22Å; F376-W378 HydrophobicContact CB-CG 4.4Å; F376-W378 HydrophobicContact CB-CZ2 4Å; F376-W378 HydrophobicContact CD2-CZ2 4.33Å; F376-W378 HydrophobicContact CG-CZ2 4.06Å; F376-W378 VanDerWaalsContact O-CD1 3.3Å; F376-W378 PolarHBondContact O-N 3.13Å; W378-G380 PolarHBondContact O-N 3.49Å; W378-A381 HydrophobicContact CE3-CB 4.05Å; W378-A381 VanDerWaalsContact O-CB 3.24Å; W378-A381 WeakPolarHBondContact O-CB 3.21Å; W378-A381 PolarHBondContact O-N 3.47Å
379	T	90.8	Very high	89.3	Confident	102 Å²	102	58.9 Å²	58.9	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	119.1	-179.8	-53.2	0	0	0	0	110.7	N377 A381	N377-T379 PolarHBondContact O-N 3.4Å; N377-T379 WeakPolarHBondContact OD1-CB 3.34Å; N377-T379 PolarHBondContact OD1-N 2.91Å; N377-T379 PolarHBondContact OD1-OG1 3.27Å; T379-A381 VanDerWaalsContact C-N 3.27Å; T379-A381 PolarHBondContact O-N 3.15Å
380	G	91.1	Very high	89.3	Confident	35 Å²	35	58.4 Å²	58.4	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	9.9	-176.4	0	0	0	0	0	114.6	R366 W378	R366-G380 PolarHBondContact NE-O 3.5Å; R366-G380 PolarHBondContact NH2-O 3.14Å; W378-G380 PolarHBondContact O-N 3.49Å
381	A	94.8	Very high	89.5	Confident	16 Å²	16	58.1 Å²	58.1	13%	0.132	31%	0.306	C	S	.	.			trans	-68.6	131.1	174.6	0	0	0	0	0	111.4	F365 R366 A367 W378 T379	F365-A381 HydrophobicContact CE2-CB 4.47Å; R366-A381 CarbonylContact O-C 3.5Å; R366-A381 WeakPolarHBondContact O-CA 3.4Å; A367-A381 HydrophobicContact CB-CB 4.14Å; W378-A381 HydrophobicContact CE3-CB 4.05Å; W378-A381 VanDerWaalsContact O-CB 3.24Å; W378-A381 WeakPolarHBondContact O-CB 3.21Å; W378-A381 PolarHBondContact O-N 3.47Å; T379-A381 VanDerWaalsContact C-N 3.27Å; T379-A381 PolarHBondContact O-N 3.15Å
382	L	96	Very high	89.7	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	-176.2	-63.7	-179.7	0	0	0	111.5	F365 R366 D461 G463 S470 N471 F473	F365-L382 CarbonylContact C-O 3.42Å; F365-L382 VanDerWaalsContact CA-O 3.31Å; F365-L382 WeakPolarHBondContact CA-O 3.42Å; F365-L382 VanDerWaalsContact CD2-O 3.26Å; F365-L382 WeakPolarHBondContact CD2-O 3.45Å; R366-L382 HydrophobicContact CB-CB 4.48Å; R366-L382 PolarHBondContact N-O 3.12Å; R366-L382 PolarHBondContact O-N 3.15Å; L382-D461 HydrophobicContact CD1-CB 3.84Å; L382-D461 WeakPolarHBondContact CD1-OD1 3.3Å; L382-G463 VanDerWaalsContact CD2-CA 3.49Å; L382-S470 WeakPolarHBondContact CD2-O 3.34Å; L382-N471 CarbonylContact C-O 3.48Å; L382-N471 WeakPolarHBondContact CA-O 3.31Å; L382-F473 HydrophobicContact CB-CD1 3.93Å; L382-F473 HydrophobicContact CB-CD2 4.16Å; L382-F473 HydrophobicContact CB-CE1 3.72Å; L382-F473 HydrophobicContact CB-CE2 3.96Å; L382-F473 HydrophobicContact CB-CG 4.15Å; L382-F473 HydrophobicContact CB-CZ 3.74Å; L382-F473 HydrophobicContact CD1-CD1 3.61Å; L382-F473 HydrophobicContact CD1-CE1 3.89Å; L382-F473 HydrophobicContact CD1-CG 4.25Å; L382-F473 HydrophobicContact CG-CD1 4.44Å; L382-F473 HydrophobicContact CG-CE1 4.46Å
383	V	94.5	Very high	89.8	Confident	16 Å²	16	51.7 Å²	51.7	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.4	174.8	67.3	0	0	0	0	110.9	R363 I364 F365 N471 R472	R363-V383 HydrophobicContact CB-CG2 4.05Å; I364-V383 CarbonylContact O-C 3.58Å; I364-V383 WeakPolarHBondContact O-CA 3.17Å; I364-V383 WeakPolarHBondContact O-CG2 3.22Å; F365-V383 HydrophobicContact CD2-CB 4.17Å; F365-V383 HydrophobicContact CD2-CG2 4.49Å; V383-N471 PolarHBondContact N-O 2.86Å; V383-R472 VanDerWaalsContact O-CA 3.3Å; V383-R472 WeakPolarHBondContact O-CA 3.49Å; V383-R472 VanDerWaalsContact O-CD 3.29Å; V383-R472 WeakPolarHBondContact O-CD 3.33Å
384	T	94.6	Very high	90.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.274	C	S	.	.			trans	-62.3	155.9	170.1	43.5	0	0	0	0	111.6	I364 I391 R472 F473 F476	I364-T384 HydrophobicContact CB-CG2 3.76Å; I364-T384 HydrophobicContact CD1-CG2 4.28Å; I364-T384 HydrophobicContact CG1-CG2 4.39Å; I364-T384 PolarHBondContact N-OG1 3.32Å; I364-T384 PolarHBondContact O-N 2.8Å; I364-T384 PolarHBondContact O-OG1 2.68Å; T384-I391 HydrophobicContact CG2-CD1 4.43Å; T384-R472 PolarHBondContact O-NH1 3.11Å; T384-F473 HydrophobicContact CG2-CD2 4.12Å; T384-F473 HydrophobicContact CG2-CE2 4.42Å; T384-F476 HydrophobicContact CG2-CD2 3.74Å; T384-F476 HydrophobicContact CG2-CE2 3.7Å
385	D	90	Very high	90.6	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	27%	0.27	C	S	.	.			trans	-69	156.8	168.3	-154.9	-76.4	0	0	0	111	N387 F390	D385-N387 WeakPolarHBondContact OD1-CB 3.24Å; D385-N387 PolarHBondContact OD1-N 3.2Å; D385-F390 HydrophobicContact CB-CD1 4.29Å; D385-F390 HydrophobicContact CB-CD2 3.66Å; D385-F390 HydrophobicContact CB-CE1 4.31Å; D385-F390 HydrophobicContact CB-CE2 3.68Å; D385-F390 HydrophobicContact CB-CG 3.99Å; D385-F390 HydrophobicContact CB-CZ 4.02Å
386	K	89.7	Confident	90.9	Very high	98 Å²	98	48.4 Å²	48.4	43%	0.426	26%	0.263	S	S	.	.	S	Bend	trans	-81.9	-18.5	175.4	176.6	175	175.5	-178.6	0	112	E360 Y361	E360-K386 IonicContact OE1-NZ 3.71Å; E360-K386 PolarHBondContact OE1-NZ 2.87Å; E360-K386 WeakPolarHBondContact OE2-CE 3.49Å; E360-K386 IonicContact OE2-NZ 2.93Å; E360-K386 PolarHBondContact OE2-NZ 2.64Å; Y361-K386 HydrophobicContact CD1-CB 4.17Å; Y361-K386 HydrophobicContact CD1-CD 3.91Å; Y361-K386 HydrophobicContact CD1-CG 3.65Å; Y361-K386 HydrophobicContact CD2-CB 4.45Å; Y361-K386 HydrophobicContact CE1-CB 3.89Å; Y361-K386 HydrophobicContact CE1-CD 3.8Å; Y361-K386 HydrophobicContact CE1-CG 3.77Å; Y361-K386 HydrophobicContact CE2-CB 4.15Å; Y361-K386 HydrophobicContact CG-CB 4.48Å; Y361-K386 HydrophobicContact CG-CG 4.12Å
387	N	88.7	Confident	91.2	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.353	26%	0.259	S	S	.	.	S	Bend	trans	-58.8	126.5	-179.2	179	-24	0	0	0	111	D385 T389 F390	D385-N387 WeakPolarHBondContact OD1-CB 3.24Å; D385-N387 PolarHBondContact OD1-N 3.2Å; N387-T389 PolarHBondContact O-N 2.91Å; N387-T389 WeakPolarHBondContact OD1-CB 3.3Å; N387-T389 PolarHBondContact OD1-N 3.39Å; N387-T389 PolarHBondContact OD1-OG1 3.44Å; N387-F390 HydrophobicContact CB-CD2 4.08Å; N387-F390 HydrophobicContact CB-CE2 4.42Å; N387-F390 WeakPolarHBondContact O-CB 3.33Å; N387-F390 PolarHBondContact O-N 3.19Å
388	P	88.7	Confident	91.5	Very high	70 Å²	70	44.6 Å²	44.6	46%	0.455	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11	-176.2	25.7	-35.7	0	0	0	114.4	F390 I391 N416	P388-F390 PolarHBondContact O-N 3.49Å; P388-I391 WeakPolarHBondContact CA-O 3.46Å; P388-N416 PolarHBondContact O-ND2 3.28Å
389	T	87.9	Confident	91.8	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.239	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.9	166.2	-52.9	0	0	0	0	111.5	N387 K478 T545 P589 Y590	N387-T389 PolarHBondContact O-N 2.91Å; N387-T389 WeakPolarHBondContact OD1-CB 3.3Å; N387-T389 PolarHBondContact OD1-N 3.39Å; N387-T389 PolarHBondContact OD1-OG1 3.44Å; T389-K478 VanDerWaalsContact O-CE 3.24Å; T389-K478 WeakPolarHBondContact O-CE 3.33Å; T389-K478 PolarHBondContact O-NZ 2.93Å; T389-T545 HydrophobicContact CG2-CG2 3.81Å; T389-P589 HydrophobicContact CG2-CG 3.71Å; T389-Y590 HydrophobicContact CG2-CE2 3.84Å; T389-Y590 VanDerWaalsContact O-CE2 3.32Å; T389-Y590 WeakPolarHBondContact O-CE2 3.39Å; T389-Y590 PolarHBondContact O-OH 2.05Å
390	F	91.7	Very high	92	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.066	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-59.5	-179.2	-69.7	-102.4	0	0	0	112.5	D385 N387 P388 F476 K478 S585	D385-F390 HydrophobicContact CB-CD1 4.29Å; D385-F390 HydrophobicContact CB-CD2 3.66Å; D385-F390 HydrophobicContact CB-CE1 4.31Å; D385-F390 HydrophobicContact CB-CE2 3.68Å; D385-F390 HydrophobicContact CB-CG 3.99Å; D385-F390 HydrophobicContact CB-CZ 4.02Å; N387-F390 HydrophobicContact CB-CD2 4.08Å; N387-F390 HydrophobicContact CB-CE2 4.42Å; N387-F390 WeakPolarHBondContact O-CB 3.33Å; N387-F390 PolarHBondContact O-N 3.19Å; P388-F390 PolarHBondContact O-N 3.49Å; F390-F476 HydrophobicContact CB-CE1 4.09Å; F390-F476 HydrophobicContact CB-CZ 4.12Å; F390-F476 HydrophobicContact CD1-CB 4.45Å; F390-F476 AromaticContact CD1-CD1 3.5Å; F390-F476 HydrophobicContact CD1-CD1 3.5Å; F390-F476 VanDerWaalsContact CD1-CD1 3.5Å; F390-F476 HydrophobicContact CD1-CD2 4.4Å; F390-F476 AromaticContact CD1-CE1 3.75Å; F390-F476 HydrophobicContact CD1-CE1 3.75Å; F390-F476 AromaticContact CD1-CG 3.88Å; F390-F476 HydrophobicContact CD1-CG 3.88Å; F390-F476 HydrophobicContact CD1-CZ 4.29Å; F390-F476 HydrophobicContact CE1-CB 4.44Å; F390-F476 HydrophobicContact CE1-CD1 4.04Å; F390-F476 HydrophobicContact CE1-CG 4.33Å; F390-F476 HydrophobicContact CG-CD1 4.46Å; F390-F476 HydrophobicContact CG-CE1 4.31Å; F390-F476 VanDerWaalsContact O-CZ 3.31Å; F390-F476 WeakPolarHBondContact O-CZ 3.31Å; F390-K478 WeakPolarHBondContact O-CD 3.04Å; F390-K478 WeakPolarHBondContact O-CE 2.99Å; F390-K478 PolarHBondContact O-NZ 2.88Å; F390-S585 WeakPolarHBondContact CE1-OG 3.45Å
391	I	93.1	Very high	92.3	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	17%	0.174	C	C	.	.	S	Bend	trans	-136.1	124.4	176.2	-60	178.3	0	0	0	107.5	L362 I364 T384 P388 A395 L411 F476	L362-I391 HydrophobicContact CB-CG2 4.45Å; L362-I391 HydrophobicContact CD2-CG2 4.44Å; I364-I391 HydrophobicContact CD1-CD1 4.11Å; I364-I391 HydrophobicContact CG1-CD1 4.33Å; T384-I391 HydrophobicContact CG2-CD1 4.43Å; P388-I391 WeakPolarHBondContact CA-O 3.46Å; I391-A395 HydrophobicContact CG2-CB 3.53Å; I391-L411 HydrophobicContact CD1-CD2 4.36Å; I391-L411 HydrophobicContact CG1-CD2 4.36Å; I391-F476 HydrophobicContact CG1-CE2 4.46Å; I391-F476 HydrophobicContact CG1-CZ 4.22Å
392	A	91.5	Very high	92.3	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.168	C	C	.	.			trans	-100.9	114.3	-173.8	0	0	0	0	0	113	P394 E413 Q414 N416	A392-P394 CarbonylContact O-C 3.43Å; A392-E413 HydrophobicContact CB-CB 4.18Å; A392-E413 HydrophobicContact CB-CG 4.39Å; A392-E413 PolarHBondContact N-OE2 2.74Å; A392-E413 VanDerWaalsContact O-CB 3.31Å; A392-E413 WeakPolarHBondContact O-CB 3.37Å; A392-Q414 WeakPolarHBondContact CB-O 3.32Å; A392-Q414 PolarHBondContact O-N 2.92Å; A392-N416 WeakPolarHBondContact CB-OD1 3.48Å
393	E	89.1	Confident	92.2	Very high	66 Å²	66	31.3 Å²	31.3	31%	0.308	17%	0.169	S	C	.	.	S	Bend	trans	-71.1	146.8	178.8	-68	-58.9	150.4	0	0	113.2	L362 A395	L362-E393 WeakPolarHBondContact CB-OE1 3.45Å; L362-E393 PolarHBondContact N-OE1 3.36Å; E393-A395 PolarHBondContact OE2-N 3.23Å
394	P	90.1	Very high	92.1	Very high	86 Å²	86	34.3 Å²	34.3	56%	0.558	19%	0.191	S	C	*	.	S	Bend	cis	-70.6	126.9	-5.6	28.2	-35.9	0	0	0	112.9	A392 Q414	A392-P394 CarbonylContact O-C 3.43Å; P394-Q414 PolarHBondContact O-N 2.98Å
395	A	91.8	Very high	92.1	Very high	8 Å²	8	36.2 Å²	36.2	7%	0.066	20%	0.201	C	C	.	.			trans	-113	165.3	177.3	0	0	0	0	0	112.4	F357 L362 I391 E393 R412 E413	F357-A395 WeakPolarHBondContact CE1-O 3.46Å; F357-A395 WeakPolarHBondContact CZ-O 3.21Å; L362-A395 HydrophobicContact CB-CB 4.32Å; L362-A395 HydrophobicContact CD2-CB 3.74Å; I391-A395 HydrophobicContact CG2-CB 3.53Å; E393-A395 PolarHBondContact OE2-N 3.23Å; A395-R412 CarbonylContact C-O 3.43Å; A395-R412 VanDerWaalsContact CA-O 3.22Å; A395-R412 WeakPolarHBondContact CA-O 3.41Å; A395-E413 HydrophobicContact CB-CB 4.34Å
396	Q	92.4	Very high	92.4	Very high	79 Å²	79	34.6 Å²	34.6	37%	0.369	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	128.6	169.6	-179.4	178.9	3.4	0	0	110.3	L398 L411 R412	Q396-L398 HydrophobicContact CG-CD2 4.19Å; Q396-L411 CarbonylContact O-C 3.53Å; Q396-L411 VanDerWaalsContact O-CA 3.28Å; Q396-L411 WeakPolarHBondContact O-CA 3.18Å; Q396-L411 WeakPolarHBondContact O-CB 3.26Å; Q396-R412 HydrophobicContact CB-CG 4.03Å; Q396-R412 PolarHBondContact N-O 2.76Å; Q396-R412 PolarHBondContact O-N 3Å; Q396-R412 VanDerWaalsContact OE1-CZ 3.3Å; Q396-R412 VanDerWaalsContact OE1-NE 3.1Å
397	I	92.6	Very high	92.8	Very high	22 Å²	22	30 Å²	30	11%	0.113	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.9	168.1	-80.2	158.2	0	0	0	109.7	L362 I364 F409 L411	L362-I397 HydrophobicContact CD1-CD1 4.42Å; L362-I397 HydrophobicContact CD2-CD1 4Å; L362-I397 HydrophobicContact CD2-CG1 4.05Å; L362-I397 HydrophobicContact CG-CD1 4.31Å; I364-I397 HydrophobicContact CD1-CD1 4.12Å; I364-I397 HydrophobicContact CG1-CD1 3.84Å; I397-F409 HydrophobicContact CD1-CB 4.31Å; I397-F409 HydrophobicContact CD1-CD1 4.23Å; I397-F409 HydrophobicContact CG1-CB 4.46Å; I397-L411 HydrophobicContact CB-CB 4.42Å; I397-L411 HydrophobicContact CD1-CD2 4.37Å; I397-L411 HydrophobicContact CG1-CB 3.55Å; I397-L411 HydrophobicContact CG1-CD2 4.07Å; I397-L411 HydrophobicContact CG1-CG 4.48Å
398	L	93.3	Very high	93.2	Very high	26 Å²	26	26.8 Å²	26.8	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-32.5	-176.6	-60.2	177.6	0	0	0	112.4	Q396 V410 I498	Q396-L398 HydrophobicContact CG-CD2 4.19Å; L398-V410 PolarHBondContact N-O 3.45Å; L398-I498 HydrophobicContact CD1-CB 4.24Å; L398-I498 HydrophobicContact CD1-CD1 4.23Å; L398-I498 HydrophobicContact CD1-CG1 3.76Å; L398-I498 HydrophobicContact CD1-CG2 3.8Å
399	L	94.9	Very high	93.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	139.3	-179.8	178	67.5	0	0	0	110.2	F401 F409 V410 A501 W503 L510 T1163	L399-F401 HydrophobicContact CD2-CD1 3.88Å; L399-F401 HydrophobicContact CG-CD1 4.16Å; L399-F409 WeakPolarHBondContact O-CA 3.27Å; L399-V410 HydrophobicContact CB-CB 4.16Å; L399-V410 HydrophobicContact CB-CG2 4.11Å; L399-V410 HydrophobicContact CD2-CG2 4.33Å; L399-V410 PolarHBondContact O-N 2.93Å; L399-A501 HydrophobicContact CB-CB 4.21Å; L399-A501 HydrophobicContact CD2-CB 4.18Å; L399-W503 HydrophobicContact CD2-CB 3.83Å; L399-L510 HydrophobicContact CD2-CD1 3.92Å; L399-T1163 HydrophobicContact CD1-CG2 4.45Å
400	T	96.4	Very high	94.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.3	164.8	-52.6	0	0	0	0	109.2	S343 L345 I407 Y408 F409 P1161 S1162 T1163	S343-T400 VanDerWaalsContact OG-CB 3.29Å; S343-T400 WeakPolarHBondContact OG-CB 3.35Å; S343-T400 PolarHBondContact OG-N 3.17Å; S343-T400 PolarHBondContact OG-OG1 2.81Å; L345-T400 HydrophobicContact CB-CG2 3.83Å; L345-T400 HydrophobicContact CD2-CG2 3.83Å; T400-I407 HydrophobicContact CG2-CG2 4.07Å; T400-Y408 WeakPolarHBondContact CA-O 3.3Å; T400-F409 HydrophobicContact CG2-CD1 3.54Å; T400-F409 HydrophobicContact CG2-CE1 3.31Å; T400-F409 HydrophobicContact CG2-CG 4.26Å; T400-F409 HydrophobicContact CG2-CZ 3.86Å; T400-F409 VanDerWaalsContact OG1-CD1 3.26Å; T400-F409 WeakPolarHBondContact OG1-CD1 3.41Å; T400-P1161 PolarHBondContact N-O 3.42Å; T400-S1162 WeakPolarHBondContact O-CA 3.28Å; T400-T1163 PolarHBondContact O-N 2.69Å
401	F	95.9	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	160.1	179.7	70.5	-89.6	0	0	0	113.4	L399 T403 Y408 V410 L454 W503 L510 L534 T1163	L399-F401 HydrophobicContact CD2-CD1 3.88Å; L399-F401 HydrophobicContact CG-CD1 4.16Å; F401-T403 HydrophobicContact CD2-CG2 4.5Å; F401-T403 HydrophobicContact CE2-CG2 4.26Å; F401-Y408 HydrophobicContact CD2-CD2 4.29Å; F401-Y408 VanDerWaalsContact CE1-CB 3.46Å; F401-Y408 HydrophobicContact CE1-CG 4.3Å; F401-Y408 AromaticContact CE2-CD2 3.64Å; F401-Y408 HydrophobicContact CE2-CD2 3.64Å; F401-Y408 AromaticContact CE2-CG 3.87Å; F401-Y408 HydrophobicContact CE2-CG 3.87Å; F401-Y408 AromaticContact CZ-CD2 3.98Å; F401-Y408 HydrophobicContact CZ-CD2 3.98Å; F401-Y408 AromaticContact CZ-CG 3.73Å; F401-Y408 HydrophobicContact CZ-CG 3.73Å; F401-Y408 PolarHBondContact N-O 2.8Å; F401-Y408 PolarHBondContact O-N 3.44Å; F401-V410 HydrophobicContact CD1-CG2 4.41Å; F401-V410 HydrophobicContact CE1-CG2 3.94Å; F401-L454 HydrophobicContact CE1-CD1 4.26Å; F401-W503 HydrophobicContact CB-CB 3.84Å; F401-W503 HydrophobicContact CB-CG 3.76Å; F401-W503 HydrophobicContact CD1-CB 4.11Å; F401-W503 HydrophobicContact CD1-CG 4.34Å; F401-W503 HydrophobicContact CD2-CB 4.13Å; F401-W503 AromaticContact CD2-CD1 3.67Å; F401-W503 AromaticContact CD2-CD2 3.37Å; F401-W503 HydrophobicContact CD2-CD2 3.37Å; F401-W503 AromaticContact CD2-CE2 3.51Å; F401-W503 AromaticContact CD2-CE3 3.91Å; F401-W503 HydrophobicContact CD2-CE3 3.91Å; F401-W503 AromaticContact CD2-CG 3.47Å; F401-W503 HydrophobicContact CD2-CG 3.47Å; F401-W503 VanDerWaalsContact CD2-CG 3.47Å; F401-W503 HydrophobicContact CD2-CZ2 4.14Å; F401-W503 HydrophobicContact CD2-CZ3 4.49Å; F401-W503 AromaticContact CD2-NE1 3.66Å; F401-W503 AromaticContact CE2-CD2 3.5Å; F401-W503 HydrophobicContact CE2-CD2 3.5Å; F401-W503 VanDerWaalsContact CE2-CD2 3.5Å; F401-W503 AromaticContact CE2-CE2 3.74Å; F401-W503 AromaticContact CE2-CE3 3.52Å; F401-W503 HydrophobicContact CE2-CE3 3.52Å; F401-W503 HydrophobicContact CE2-CG 4.06Å; F401-W503 HydrophobicContact CE2-CH2 4.02Å; F401-W503 AromaticContact CE2-CZ2 3.99Å; F401-W503 HydrophobicContact CE2-CZ2 3.99Å; F401-W503 AromaticContact CE2-CZ3 3.79Å; F401-W503 HydrophobicContact CE2-CZ3 3.79Å; F401-W503 HydrophobicContact CG-CB 3.79Å; F401-W503 AromaticContact CG-CD1 3.92Å; F401-W503 AromaticContact CG-CD2 4Å; F401-W503 HydrophobicContact CG-CD2 4Å; F401-W503 AromaticContact CG-CG 3.62Å; F401-W503 HydrophobicContact CG-CG 3.62Å; F401-W503 HydrophobicContact CZ-CD2 4.22Å; F401-W503 AromaticContact CZ-CE3 3.9Å; F401-W503 HydrophobicContact CZ-CE3 3.9Å; F401-W503 HydrophobicContact CZ-CZ3 4.25Å; F401-L510 HydrophobicContact CE1-CD1 3.98Å; F401-L510 HydrophobicContact CE1-CD2 4.37Å; F401-L510 HydrophobicContact CZ-CD1 4.45Å; F401-L510 HydrophobicContact CZ-CD2 4.48Å; F401-L534 HydrophobicContact CE2-CD2 4.4Å; F401-L534 HydrophobicContact CZ-CD2 3.85Å; F401-T1163 VanDerWaalsContact CA-OG1 3.25Å; F401-T1163 WeakPolarHBondContact CA-OG1 3.32Å; F401-T1163 HydrophobicContact CB-CG2 3.83Å; F401-T1163 VanDerWaalsContact CB-OG1 3.3Å; F401-T1163 WeakPolarHBondContact CB-OG1 3.42Å
402	E	95.7	Very high	94.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	158.6	176.1	64.7	178.8	143.6	0	0	113.3	L345 A348 I407 K459 W503 T1163 S1165	L345-E402 HydrophobicContact CD2-CB 4.09Å; A348-E402 WeakPolarHBondContact CB-OE2 3.3Å; A348-E402 PolarHBondContact N-OE1 2.81Å; A348-E402 PolarHBondContact N-OE2 3.19Å; E402-I407 HydrophobicContact CB-CD1 3.51Å; E402-K459 VanDerWaalsContact OE2-CE 3.22Å; E402-K459 WeakPolarHBondContact OE2-CE 3.15Å; E402-K459 IonicContact OE2-NZ 3.24Å; E402-K459 PolarHBondContact OE2-NZ 2.79Å; E402-W503 PolarHBondContact O-NE1 2.74Å; E402-T1163 PolarHBondContact N-OG1 3.47Å; E402-S1165 VanDerWaalsContact OE1-CB 3.29Å; E402-S1165 WeakPolarHBondContact OE1-CB 3.39Å; E402-S1165 PolarHBondContact OE1-N 2.72Å
403	T	94.4	Very high	94.3	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.043	12%	0.124	C	C	.	.			trans	-127.4	-168.2	168.4	62.8	0	0	0	0	108.7	F401 D405 E406 Y408 K459 W503 L531	F401-T403 HydrophobicContact CD2-CG2 4.5Å; F401-T403 HydrophobicContact CE2-CG2 4.26Å; T403-D405 VanDerWaalsContact C-N 3.31Å; T403-D405 PolarHBondContact O-N 2.96Å; T403-E406 PolarHBondContact N-O 2.82Å; T403-E406 WeakPolarHBondContact OG1-CB 3.05Å; T403-E406 PolarHBondContact OG1-N 2.93Å; T403-E406 PolarHBondContact OG1-O 3.06Å; T403-Y408 HydrophobicContact CG2-CD2 3.88Å; T403-Y408 HydrophobicContact CG2-CE2 3.76Å; T403-K459 WeakPolarHBondContact O-CE 3.41Å; T403-K459 PolarHBondContact O-NZ 3.46Å; T403-W503 HydrophobicContact CG2-CH2 4.39Å; T403-W503 HydrophobicContact CG2-CZ2 3.95Å; T403-L531 HydrophobicContact CG2-CD1 3.73Å
404	S	92.5	Very high	94.3	Very high	79 Å²	79	23.1 Å²	23.1	55%	0.552	13%	0.127	S	C	*	.	S	Bend	trans	-49.2	-51.6	173.3	56.7	0	0	0	0	112.6	K459	S404-K459 PolarHBondContact O-NZ 2.84Å
405	D	93.7	Very high	93.9	Very high	41 Å²	41	19.4 Å²	19.4	22%	0.219	10%	0.103	C	C	.	.	S	Bend	trans	-118.5	-17	-163.6	-69.7	-83.2	0	0	0	114.7	T403 K459 C565 N569	T403-D405 VanDerWaalsContact C-N 3.31Å; T403-D405 PolarHBondContact O-N 2.96Å; D405-K459 PolarHBondContact O-N 2.78Å; D405-C565 HydrophobicContact CB-CB 4.17Å; D405-N569 WeakPolarHBondContact CA-ND2 3.05Å; D405-N569 WeakPolarHBondContact CB-ND2 3.42Å; D405-N569 PolarHBondContact O-ND2 3Å; D405-N569 PolarHBondContact OD1-ND2 3.36Å
406	E	96.1	Very high	92.8	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.8	-158.1	-40.4	176.4	116.7	0	0	109.7	T403 Y408 R456 V457 K535 C565	T403-E406 PolarHBondContact N-O 2.82Å; T403-E406 WeakPolarHBondContact OG1-CB 3.05Å; T403-E406 PolarHBondContact OG1-N 2.93Å; T403-E406 PolarHBondContact OG1-O 3.06Å; E406-Y408 HydrophobicContact CB-CD2 4.23Å; E406-Y408 HydrophobicContact CB-CE2 3.6Å; E406-Y408 HydrophobicContact CG-CE2 4.41Å; E406-Y408 WeakPolarHBondContact OE2-CE2 3.14Å; E406-Y408 PolarHBondContact OE2-OH 2.85Å; E406-R456 HydrophobicContact CB-CG 4.02Å; E406-R456 WeakPolarHBondContact OE1-CD 3.49Å; E406-R456 IonicContact OE1-CZ 3.62Å; E406-R456 IonicContact OE1-NE 3.88Å; E406-R456 IonicContact OE1-NH1 2.74Å; E406-R456 PolarHBondContact OE1-NH1 3.5Å; E406-V457 WeakPolarHBondContact CA-O 3.46Å; E406-K535 WeakPolarHBondContact OE2-CE 3.21Å; E406-C565 HydrophobicContact CG-CB 3.96Å
407	I	97.7	Very high	91.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.9	168.9	-50.6	-60.7	0	0	0	108.2	L345 A347 Y353 T400 E402 F409 R456 V457 K459	L345-I407 HydrophobicContact CD2-CD1 4.34Å; L345-I407 HydrophobicContact CD2-CG2 4.09Å; A347-I407 HydrophobicContact CB-CD1 3.91Å; Y353-I407 HydrophobicContact CD1-CB 4.43Å; Y353-I407 HydrophobicContact CD1-CG1 4.19Å; Y353-I407 HydrophobicContact CD1-CG2 4.16Å; Y353-I407 HydrophobicContact CD2-CD1 4.39Å; Y353-I407 HydrophobicContact CD2-CG1 4.17Å; Y353-I407 HydrophobicContact CE1-CB 4.33Å; Y353-I407 HydrophobicContact CE1-CG1 3.8Å; Y353-I407 HydrophobicContact CE2-CD1 4.1Å; Y353-I407 HydrophobicContact CE2-CG1 3.8Å; Y353-I407 HydrophobicContact CG-CG1 4.36Å; Y353-I407 HydrophobicContact CG-CG2 4.18Å; T400-I407 HydrophobicContact CG2-CG2 4.07Å; E402-I407 HydrophobicContact CB-CD1 3.51Å; I407-F409 HydrophobicContact CB-CE2 4.43Å; I407-F409 HydrophobicContact CG2-CE2 3.73Å; I407-F409 HydrophobicContact CG2-CZ 3.83Å; I407-R456 WeakPolarHBondContact O-CA 3.46Å; I407-V457 HydrophobicContact CB-CG2 3.86Å; I407-V457 HydrophobicContact CG1-CG2 4.46Å; I407-V457 PolarHBondContact N-O 2.68Å; I407-V457 PolarHBondContact O-N 3.07Å; I407-K459 HydrophobicContact CD1-CD 4.36Å; I407-K459 VanDerWaalsContact CD1-CE 3.5Å; I407-K459 HydrophobicContact CD1-CG 3.9Å; I407-K459 HydrophobicContact CG1-CG 4.03Å
408	Y	98.1	Very high	89.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.1	-175.7	-75.3	-78.3	0	0	0	111.4	T400 F401 T403 E406 L454 V455 R456 F538	T400-Y408 WeakPolarHBondContact CA-O 3.3Å; F401-Y408 HydrophobicContact CD2-CD2 4.29Å; F401-Y408 VanDerWaalsContact CE1-CB 3.46Å; F401-Y408 HydrophobicContact CE1-CG 4.3Å; F401-Y408 AromaticContact CE2-CD2 3.64Å; F401-Y408 HydrophobicContact CE2-CD2 3.64Å; F401-Y408 AromaticContact CE2-CG 3.87Å; F401-Y408 HydrophobicContact CE2-CG 3.87Å; F401-Y408 AromaticContact CZ-CD2 3.98Å; F401-Y408 HydrophobicContact CZ-CD2 3.98Å; F401-Y408 AromaticContact CZ-CG 3.73Å; F401-Y408 HydrophobicContact CZ-CG 3.73Å; F401-Y408 PolarHBondContact N-O 2.8Å; F401-Y408 PolarHBondContact O-N 3.44Å; T403-Y408 HydrophobicContact CG2-CD2 3.88Å; T403-Y408 HydrophobicContact CG2-CE2 3.76Å; E406-Y408 HydrophobicContact CB-CD2 4.23Å; E406-Y408 HydrophobicContact CB-CE2 3.6Å; E406-Y408 HydrophobicContact CG-CE2 4.41Å; E406-Y408 WeakPolarHBondContact OE2-CE2 3.14Å; E406-Y408 PolarHBondContact OE2-OH 2.85Å; Y408-L454 HydrophobicContact CD1-CD1 3.93Å; Y408-L454 HydrophobicContact CD1-CD2 3.89Å; Y408-L454 HydrophobicContact CD1-CG 3.83Å; Y408-L454 HydrophobicContact CE1-CD2 4.11Å; Y408-L454 HydrophobicContact CE1-CG 4.4Å; Y408-L454 HydrophobicContact CG-CD1 4.44Å; Y408-V455 VanDerWaalsContact CA-O 3.29Å; Y408-V455 WeakPolarHBondContact CA-O 3.18Å; Y408-V455 WeakPolarHBondContact CD1-O 3.28Å; Y408-R456 HydrophobicContact CD1-CB 3.96Å; Y408-R456 HydrophobicContact CD1-CG 4.09Å; Y408-R456 HydrophobicContact CE1-CB 3.71Å; Y408-R456 HydrophobicContact CE1-CG 3.62Å; Y408-F538 HydrophobicContact CD1-CE2 4.22Å; Y408-F538 AromaticContact CE1-CD2 3.75Å; Y408-F538 HydrophobicContact CE1-CD2 3.75Å; Y408-F538 AromaticContact CE1-CE2 3.56Å; Y408-F538 HydrophobicContact CE1-CE2 3.56Å; Y408-F538 HydrophobicContact CE1-CZ 4.38Å
409	F	97.8	Very high	86.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.7	173.7	-51.4	-105.7	0	0	0	109	Y353 I364 I397 L399 T400 I407 V455 V457	Y353-F409 HydrophobicContact CD1-CZ 4.2Å; I364-F409 HydrophobicContact CB-CE1 4.45Å; I364-F409 HydrophobicContact CB-CZ 4.44Å; I364-F409 HydrophobicContact CD1-CB 4.18Å; I364-F409 HydrophobicContact CD1-CD1 3.9Å; I364-F409 HydrophobicContact CD1-CD2 3.71Å; I364-F409 HydrophobicContact CD1-CE1 4.2Å; I364-F409 HydrophobicContact CD1-CE2 4.04Å; I364-F409 HydrophobicContact CD1-CG 3.66Å; I364-F409 HydrophobicContact CD1-CZ 4.29Å; I364-F409 HydrophobicContact CG1-CD1 3.99Å; I364-F409 HydrophobicContact CG1-CE1 4.02Å; I364-F409 HydrophobicContact CG1-CG 4.28Å; I364-F409 HydrophobicContact CG1-CZ 4.34Å; I364-F409 HydrophobicContact CG2-CD1 4.41Å; I364-F409 HydrophobicContact CG2-CE1 3.63Å; I364-F409 HydrophobicContact CG2-CE2 3.81Å; I364-F409 HydrophobicContact CG2-CZ 3.29Å; I397-F409 HydrophobicContact CD1-CB 4.31Å; I397-F409 HydrophobicContact CD1-CD1 4.23Å; I397-F409 HydrophobicContact CG1-CB 4.46Å; L399-F409 WeakPolarHBondContact O-CA 3.27Å; T400-F409 HydrophobicContact CG2-CD1 3.54Å; T400-F409 HydrophobicContact CG2-CE1 3.31Å; T400-F409 HydrophobicContact CG2-CG 4.26Å; T400-F409 HydrophobicContact CG2-CZ 3.86Å; T400-F409 VanDerWaalsContact OG1-CD1 3.26Å; T400-F409 WeakPolarHBondContact OG1-CD1 3.41Å; I407-F409 HydrophobicContact CB-CE2 4.43Å; I407-F409 HydrophobicContact CG2-CE2 3.73Å; I407-F409 HydrophobicContact CG2-CZ 3.83Å; F409-V455 HydrophobicContact CB-CB 4.16Å; F409-V455 HydrophobicContact CD2-CB 4.48Å; F409-V455 HydrophobicContact CD2-CG1 4.24Å; F409-V455 PolarHBondContact N-O 3.32Å; F409-V455 PolarHBondContact O-N 3.44Å; F409-V457 HydrophobicContact CE2-CG2 4.11Å
410	V	97.3	Very high	84.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.6	172.3	-173.8	0	0	0	0	107.7	L398 L399 F401 L454 L481 I498 A501 L510	L398-V410 PolarHBondContact N-O 3.45Å; L399-V410 HydrophobicContact CB-CB 4.16Å; L399-V410 HydrophobicContact CB-CG2 4.11Å; L399-V410 HydrophobicContact CD2-CG2 4.33Å; L399-V410 PolarHBondContact O-N 2.93Å; F401-V410 HydrophobicContact CD1-CG2 4.41Å; F401-V410 HydrophobicContact CE1-CG2 3.94Å; V410-L454 HydrophobicContact CG2-CD1 3.98Å; V410-L481 HydrophobicContact CG1-CD2 4.11Å; V410-I498 HydrophobicContact CG1-CD1 3.47Å; V410-I498 VanDerWaalsContact CG1-CD1 3.47Å; V410-A501 HydrophobicContact CB-CB 4.33Å; V410-A501 HydrophobicContact CG1-CB 3.95Å; V410-A501 HydrophobicContact CG2-CB 4.27Å; V410-L510 HydrophobicContact CG2-CD1 4.06Å; V410-L510 HydrophobicContact CG2-CD2 4.14Å
411	L	95.2	Very high	82.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	165.2	-178.3	73	76.9	0	0	0	113.2	I391 Q396 I397 E413 R453 V455	I391-L411 HydrophobicContact CD1-CD2 4.36Å; I391-L411 HydrophobicContact CG1-CD2 4.36Å; Q396-L411 CarbonylContact O-C 3.53Å; Q396-L411 VanDerWaalsContact O-CA 3.28Å; Q396-L411 WeakPolarHBondContact O-CA 3.18Å; Q396-L411 WeakPolarHBondContact O-CB 3.26Å; I397-L411 HydrophobicContact CB-CB 4.42Å; I397-L411 HydrophobicContact CD1-CD2 4.37Å; I397-L411 HydrophobicContact CG1-CB 3.55Å; I397-L411 HydrophobicContact CG1-CD2 4.07Å; I397-L411 HydrophobicContact CG1-CG 4.48Å; L411-E413 HydrophobicContact CD1-CB 3.83Å; L411-E413 HydrophobicContact CD1-CG 4.03Å; L411-R453 HydrophobicContact CD1-CB 3.81Å; L411-R453 HydrophobicContact CD1-CG 3.99Å; L411-R453 HydrophobicContact CG-CB 4.18Å; L411-R453 PolarHBondContact N-O 2.94Å; L411-R453 PolarHBondContact O-N 2.89Å; L411-R453 VanDerWaalsContact O-O 3.1Å; L411-V455 HydrophobicContact CD2-CG2 3.53Å; L411-V455 HydrophobicContact CG-CG2 4.15Å
412	R	93.8	Very high	80	Confident	49 Å²	49	44 Å²	44	19%	0.185	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.7	161.3	59.7	-159.7	-174.7	169.4	11	109.7	A395 Q396 I451 H497 I498	A395-R412 CarbonylContact C-O 3.43Å; A395-R412 VanDerWaalsContact CA-O 3.22Å; A395-R412 WeakPolarHBondContact CA-O 3.41Å; Q396-R412 HydrophobicContact CB-CG 4.03Å; Q396-R412 PolarHBondContact N-O 2.76Å; Q396-R412 PolarHBondContact O-N 3Å; Q396-R412 VanDerWaalsContact OE1-CZ 3.3Å; Q396-R412 VanDerWaalsContact OE1-NE 3.1Å; R412-I451 VanDerWaalsContact CA-O 3.32Å; R412-I451 WeakPolarHBondContact CA-O 3.47Å; R412-H497 PolarHBondContact NH1-CD2 2.96Å; R412-H497 PolarHBondContact NH1-CE1 2.77Å; R412-H497 PolarHBondContact NH1-NE2 2.84Å; R412-I498 HydrophobicContact CB-CG2 3.82Å; R412-I498 VanDerWaalsContact CD-O 3.28Å; R412-I498 WeakPolarHBondContact CD-O 3.43Å; R412-I498 PolarHBondContact NH1-O 2.81Å
413	E	92.4	Very high	77.8	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	168.3	178.7	64.5	170.5	-163.1	0	0	110.4	A392 A395 L411 S450 I451 R453 K478	A392-E413 HydrophobicContact CB-CB 4.18Å; A392-E413 HydrophobicContact CB-CG 4.39Å; A392-E413 PolarHBondContact N-OE2 2.74Å; A392-E413 VanDerWaalsContact O-CB 3.31Å; A392-E413 WeakPolarHBondContact O-CB 3.37Å; A395-E413 HydrophobicContact CB-CB 4.34Å; L411-E413 HydrophobicContact CD1-CB 3.83Å; L411-E413 HydrophobicContact CD1-CG 4.03Å; E413-S450 CarbonylContact O-C 3.55Å; E413-S450 WeakPolarHBondContact O-CA 3.41Å; E413-I451 HydrophobicContact CG-CG2 3.88Å; E413-I451 PolarHBondContact N-O 2.91Å; E413-I451 PolarHBondContact O-N 3.1Å; E413-R453 HydrophobicContact CG-CG 3.78Å; E413-R453 IonicContact OE1-CZ 3.39Å; E413-R453 IonicContact OE1-NE 3.72Å; E413-R453 PolarHBondContact OE1-NE 3.03Å; E413-R453 IonicContact OE1-NH2 3.51Å; E413-R453 PolarHBondContact OE1-NH2 2.88Å; E413-K478 IonicContact OE1-NZ 3.58Å; E413-K478 PolarHBondContact OE1-NZ 2.89Å; E413-K478 IonicContact OE2-NZ 3.66Å; E413-K478 PolarHBondContact OE2-NZ 3.01Å
414	Q	87.7	Confident	75.7	Confident	76 Å²	76	51.9 Å²	51.9	36%	0.355	27%	0.27	S	S	.	.			trans	-72.7	135.1	168.8	-163.2	-178.6	-80.5	0	0	109.9	A392 P394 N416	A392-Q414 WeakPolarHBondContact CB-O 3.32Å; A392-Q414 PolarHBondContact O-N 2.92Å; P394-Q414 PolarHBondContact O-N 2.98Å; Q414-N416 PolarHBondContact O-N 3.48Å
415	P	82.4	Confident	73.6	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.052	28%	0.281	C	S	.	.			trans	-72.7	120.8	-179.3	29.9	-36.6	0	0	0	111.9	S417 S420 L448 I451	P415-S417 VanDerWaalsContact C-N 3.3Å; P415-S417 PolarHBondContact O-N 2.98Å; P415-S420 WeakPolarHBondContact CB-OG 3.35Å; P415-S420 PolarHBondContact O-OG 2.99Å; P415-L448 HydrophobicContact CG-CB 4.24Å; P415-I451 HydrophobicContact CB-CB 4.21Å; P415-I451 HydrophobicContact CB-CG2 3.89Å
416	N	69.1	Low	71.5	Confident	76 Å²	76	56.6 Å²	56.6	41%	0.406	29%	0.292	S	S	.	.			trans	-69.1	-10.9	-172.5	-85.8	-33.2	0	0	0	116.5	P388 A392 Q414 Y590	P388-N416 PolarHBondContact O-ND2 3.28Å; A392-N416 WeakPolarHBondContact CB-OD1 3.48Å; Q414-N416 PolarHBondContact O-N 3.48Å; N416-Y590 PolarHBondContact ND2-OH 2.75Å
417	S	60	Low	69.4	Low	61 Å²	61	59 Å²	59	43%	0.427	32%	0.318	S	S	.	.	S	Bend	trans	-81.6	146.9	-173.7	82.9	0	0	0	0	112.3	P415 M419 S420 K421	P415-S417 VanDerWaalsContact C-N 3.3Å; P415-S417 PolarHBondContact O-N 2.98Å; S417-M419 VanDerWaalsContact C-N 3.27Å; S417-M419 PolarHBondContact O-N 3.46Å; S417-S420 PolarHBondContact N-OG 3.23Å; S417-S420 PolarHBondContact O-N 3.4Å; S417-S420 VanDerWaalsContact O-N 3.16Å; S417-S420 PolarHBondContact O-OG 2.89Å; S417-S420 WeakPolarHBondContact OG-CB 3.48Å; S417-S420 PolarHBondContact OG-N 3.23Å; S417-S420 VanDerWaalsContact OG-N 3.16Å; S417-S420 PolarHBondContact OG-OG 3Å; S417-K421 PolarHBondContact O-N 3.35Å
418	Q	47	Very low	67.1	Low	156 Å²	156	63.9 Å²	63.9	73%	0.729	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62.5	-35.7	173.2	-72.9	179.8	-83.8	0	0	111.7	S420 K421	Q418-S420 PolarHBondContact O-N 2.77Å; Q418-K421 WeakPolarHBondContact O-CB 3.25Å; Q418-K421 PolarHBondContact O-N 3.14Å
419	M	38.8	Very low	64.7	Low	177 Å²	177	66 Å²	66	87%	0.872	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22.1	175.2	-71.3	168.5	61.3	0	0	114.4	S417	S417-M419 VanDerWaalsContact C-N 3.27Å; S417-M419 PolarHBondContact O-N 3.46Å
420	S	50	Low	62.8	Low	21 Å²	21	74.2 Å²	74.2	15%	0.147	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-97.2	-8.2	174.1	50.9	0	0	0	0	113.4	P415 S417 Q418	P415-S420 WeakPolarHBondContact CB-OG 3.35Å; P415-S420 PolarHBondContact O-OG 2.99Å; S417-S420 PolarHBondContact N-OG 3.23Å; S417-S420 PolarHBondContact O-N 3.4Å; S417-S420 VanDerWaalsContact O-N 3.16Å; S417-S420 PolarHBondContact O-OG 2.89Å; S417-S420 WeakPolarHBondContact OG-CB 3.48Å; S417-S420 PolarHBondContact OG-N 3.23Å; S417-S420 VanDerWaalsContact OG-N 3.16Å; S417-S420 PolarHBondContact OG-OG 3Å; Q418-S420 PolarHBondContact O-N 2.77Å
421	K	49.9	Very low	61	Low	108 Å²	108	78.4 Å²	78.4	47%	0.47	43%	0.431	S	S	.	.	S	Bend	trans	-93.3	115.4	-176	-145.3	-178.5	174.8	-150.8	0	108.5	S417 Q418 E423	S417-K421 PolarHBondContact O-N 3.35Å; Q418-K421 WeakPolarHBondContact O-CB 3.25Å; Q418-K421 PolarHBondContact O-N 3.14Å; K421-E423 IonicContact NZ-OE1 3.19Å; K421-E423 PolarHBondContact NZ-OE1 3.17Å; K421-E423 VanDerWaalsContact NZ-OE1 3.08Å; K421-E423 PolarHBondContact O-N 3.28Å
422	C	51.3	Low	59.3	Low	53 Å²	53	83.2 Å²	83.2	36%	0.358	46%	0.463	S	S	.	.			trans	-75.4	69.8	178.9	-87	0	0	0	0	112.5	I424 C447	C422-I424 VanDerWaalsContact C-N 3.3Å; C422-I424 PolarHBondContact O-N 2.86Å; C422-C447 HydrophobicContact CB-CB 3.95Å; C422-C447 WeakPolarHBondContact CB-SG 3.36Å; C422-C447 WeakPolarHBondContact SG-CA 3.11Å; C422-C447 WeakPolarHBondContact SG-CB 3.41Å; C422-C447 CovalentContact SG-SG 2.02Å; C422-C447 PolarHBondContact SG-SG 3.15Å
423	E	49.3	Very low	57.6	Low	100 Å²	100	87.2 Å²	87.2	47%	0.467	49%	0.487	S	S	.	.			trans	-71.4	90.9	161.4	-76.1	167.4	-165.7	0	0	107.4	K421 N425	K421-E423 IonicContact NZ-OE1 3.19Å; K421-E423 PolarHBondContact NZ-OE1 3.17Å; K421-E423 VanDerWaalsContact NZ-OE1 3.08Å; K421-E423 PolarHBondContact O-N 3.28Å; E423-N425 VanDerWaalsContact C-N 3.3Å; E423-N425 PolarHBondContact O-N 3.38Å
424	I	49.8	Very low	56	Low	75 Å²	75	88.8 Å²	88.8	39%	0.385	50%	0.498	S	S	.	.			trans	-65.2	98.1	166.7	-54	177.4	0	0	0	105.8	C422 V426 L439 L442	C422-I424 VanDerWaalsContact C-N 3.3Å; C422-I424 PolarHBondContact O-N 2.86Å; I424-V426 HydrophobicContact CG2-CG2 3.8Å; I424-V426 PolarHBondContact O-N 3.29Å; I424-L439 HydrophobicContact CG2-CD2 4.03Å; I424-L442 HydrophobicContact CG2-CD1 4.47Å
425	N	48.5	Very low	54.5	Low	148 Å²	148	86.4 Å²	86.4	79%	0.791	49%	0.489	S	S	*	.			trans	-69.2	74.4	174.9	-79.4	-26	0	0	0	110.3	E423 G427	E423-N425 VanDerWaalsContact C-N 3.3Å; E423-N425 PolarHBondContact O-N 3.38Å; N425-G427 PolarHBondContact O-N 3.25Å
426	V	49.6	Very low	53.4	Low	72 Å²	72	89.6 Å²	89.6	44%	0.436	51%	0.508	S	S	.	.			trans	-68.6	80.7	160.3	-173.7	0	0	0	0	106.5	I424 S428 T435 L439	I424-V426 HydrophobicContact CG2-CG2 3.8Å; I424-V426 PolarHBondContact O-N 3.29Å; V426-S428 PolarHBondContact O-N 2.78Å; V426-T435 HydrophobicContact CG1-CG2 3.55Å; V426-L439 HydrophobicContact CG2-CD2 3.85Å; V426-L439 HydrophobicContact CG2-CG 4.44Å
427	G	52.5	Low	53	Low	57 Å²	57	90.3 Å²	90.3	59%	0.588	51%	0.509	S	S	*	.			trans	-52.4	140.5	169.8	0	0	0	0	0	109.3	N425 S429	N425-G427 PolarHBondContact O-N 3.25Å; G427-S429 PolarHBondContact O-N 2.89Å
428	S	49.5	Very low	52.9	Low	103 Å²	103	93.4 Å²	93.4	72%	0.72	52%	0.515	S	S	*	.			trans	-64.3	71.7	-166.5	36.1	0	0	0	0	113.7	V426 I430	V426-S428 PolarHBondContact O-N 2.78Å; S428-I430 PolarHBondContact O-N 2.78Å
429	S	47.7	Very low	53.3	Low	44 Å²	44	89.8 Å²	89.8	31%	0.308	50%	0.5	S	S	.	.			trans	-71.2	112.3	167.7	-159.2	0	0	0	0	107.7	G427 D431 S434	G427-S429 PolarHBondContact O-N 2.89Å; S429-D431 PolarHBondContact O-N 3.39Å; S429-S434 PolarHBondContact OG-OG 2.96Å
430	I	57.6	Low	54.2	Low	174 Å²	174	88.9 Å²	88.9	89%	0.892	49%	0.491	S	S	*	.	S	Bend	trans	-60.4	-17.9	-178.6	-64.2	171.4	0	0	0	111.8	S428 P432	S428-I430 PolarHBondContact O-N 2.78Å; I430-P432 WeakPolarHBondContact O-CD 3.35Å
431	D	59.3	Low	54.4	Low	87 Å²	87	96.8 Å²	96.8	47%	0.465	52%	0.518	S	S	.	.			trans	-95.1	109.8	179.9	-169.8	-28.5	0	0	0	112.1	S429 L433 S434 T435	S429-D431 PolarHBondContact O-N 3.39Å; D431-L433 VanDerWaalsContact C-N 3.26Å; D431-L433 PolarHBondContact O-N 2.85Å; D431-L433 WeakPolarHBondContact OD1-CB 3.23Å; D431-L433 PolarHBondContact OD1-N 3.37Å; D431-S434 PolarHBondContact O-N 3.1Å; D431-S434 PolarHBondContact O-OG 2.8Å; D431-S434 PolarHBondContact OD1-N 3.19Å; D431-T435 PolarHBondContact O-N 3.14Å; D431-T435 PolarHBondContact O-OG1 2.76Å; D431-T435 VanDerWaalsContact O-OG1 3.05Å
432	P	58.4	Low	54.3	Low	101 Å²	101	96.1 Å²	96.1	66%	0.656	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-28.4	-178.6	-21.3	33.9	0	0	0	113.6	I430 T435 V436	I430-P432 WeakPolarHBondContact O-CD 3.35Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.65Å; P432-V436 PolarHBondContact O-N 3.03Å
433	L	58	Low	54.2	Low	134 Å²	134	102.1 Å²	102.1	70%	0.702	54%	0.541	S	S	*	.	H	α-helix	trans	-74.8	-43.4	-175.9	-164.8	67.4	0	0	0	110.5	D431 T435 V436 E437	D431-L433 VanDerWaalsContact C-N 3.26Å; D431-L433 PolarHBondContact O-N 2.85Å; D431-L433 WeakPolarHBondContact OD1-CB 3.23Å; D431-L433 PolarHBondContact OD1-N 3.37Å; L433-T435 PolarHBondContact O-N 2.94Å; L433-V436 PolarHBondContact O-N 2.8Å; L433-E437 PolarHBondContact O-N 2.81Å
434	S	59	Low	54.2	Low	34 Å²	34	104 Å²	104	24%	0.238	55%	0.55	C	S	.	.	H	α-helix	trans	-58	-32.1	171.4	79.3	0	0	0	0	112.6	S429 D431 K438	S429-S434 PolarHBondContact OG-OG 2.96Å; D431-S434 PolarHBondContact O-N 3.1Å; D431-S434 PolarHBondContact O-OG 2.8Å; D431-S434 PolarHBondContact OD1-N 3.19Å; S434-K438 WeakPolarHBondContact O-CB 3.28Å; S434-K438 WeakPolarHBondContact O-CG 3.3Å; S434-K438 PolarHBondContact O-N 3Å
435	T	56.2	Low	54.2	Low	25 Å²	25	104 Å²	104	15%	0.153	56%	0.555	C	S	.	*	H	α-helix	trans	-71	-41.9	-179.3	-62.5	0	0	0	0	111.3	V426 D431 P432 L433 K438 L439	V426-T435 HydrophobicContact CG1-CG2 3.55Å; D431-T435 PolarHBondContact O-N 3.14Å; D431-T435 PolarHBondContact O-OG1 2.76Å; D431-T435 VanDerWaalsContact O-OG1 3.05Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.65Å; L433-T435 PolarHBondContact O-N 2.94Å; T435-K438 PolarHBondContact O-N 2.81Å; T435-L439 HydrophobicContact CG2-CD1 4.03Å; T435-L439 WeakPolarHBondContact O-CB 3.32Å; T435-L439 VanDerWaalsContact O-CG 3.29Å; T435-L439 WeakPolarHBondContact O-CG 3.27Å; T435-L439 PolarHBondContact O-N 3.26Å
436	V	61.1	Low	54.4	Low	75 Å²	75	105.6 Å²	105.6	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-37.8	174.9	174.8	0	0	0	0	111.8	P432 L433 K440	P432-V436 PolarHBondContact O-N 3.03Å; L433-V436 PolarHBondContact O-N 2.8Å; V436-K440 WeakPolarHBondContact O-CG 3.47Å; V436-K440 PolarHBondContact O-N 3.49Å; V436-K440 VanDerWaalsContact O-N 3.1Å
437	E	60.7	Low	55	Low	92 Å²	92	103.4 Å²	103.4	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-47.4	173	-79.1	-107.1	137.4	0	0	112.2	L433 L439 K440 R441	L433-E437 PolarHBondContact O-N 2.81Å; E437-L439 VanDerWaalsContact C-N 3.35Å; E437-L439 PolarHBondContact O-N 2.02Å; E437-K440 PolarHBondContact O-N 3.14Å; E437-K440 VanDerWaalsContact O-N 3.15Å; E437-R441 WeakPolarHBondContact O-CG 3.24Å; E437-R441 PolarHBondContact O-N 2.81Å; E437-R441 VanDerWaalsContact O-N 3.08Å; E437-R441 IonicContact OE2-CZ 2.77Å; E437-R441 IonicContact OE2-NE 2.72Å; E437-R441 IonicContact OE2-NH2 3.02Å; E437-R441 PolarHBondContact OE2-NH2 3.35Å
438	K	56.1	Low	55.9	Low	126 Å²	126	104 Å²	104	55%	0.548	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-44.4	175.4	-81.4	176.5	175.8	171.3	0	111.5	S434 T435 K440 R441 L442	S434-K438 WeakPolarHBondContact O-CB 3.28Å; S434-K438 WeakPolarHBondContact O-CG 3.3Å; S434-K438 PolarHBondContact O-N 3Å; T435-K438 PolarHBondContact O-N 2.81Å; K438-K440 VanDerWaalsContact C-N 3.26Å; K438-K440 PolarHBondContact O-N 2.89Å; K438-R441 PolarHBondContact O-N 2.94Å; K438-R441 VanDerWaalsContact O-N 3.14Å; K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 VanDerWaalsContact O-CG 3.28Å; K438-L442 WeakPolarHBondContact O-CG 3.4Å; K438-L442 PolarHBondContact O-N 3.12Å
439	L	56.2	Low	57.3	Low	79 Å²	79	102.2 Å²	102.2	41%	0.414	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-28.9	176.2	-76.2	167.9	0	0	0	113.5	I424 V426 T435 E437	I424-L439 HydrophobicContact CG2-CD2 4.03Å; V426-L439 HydrophobicContact CG2-CD2 3.85Å; V426-L439 HydrophobicContact CG2-CG 4.44Å; T435-L439 HydrophobicContact CG2-CD1 4.03Å; T435-L439 WeakPolarHBondContact O-CB 3.32Å; T435-L439 VanDerWaalsContact O-CG 3.29Å; T435-L439 WeakPolarHBondContact O-CG 3.27Å; T435-L439 PolarHBondContact O-N 3.26Å; E437-L439 VanDerWaalsContact C-N 3.35Å; E437-L439 PolarHBondContact O-N 2.02Å
440	K	57.5	Low	59.1	Low	158 Å²	158	100.5 Å²	100.5	69%	0.687	50%	0.501	S	S	*	.	H	α-helix	trans	-78	-29.1	173.1	-75.2	174.6	179.8	176.8	0	114	V436 E437 K438	V436-K440 WeakPolarHBondContact O-CG 3.47Å; V436-K440 PolarHBondContact O-N 3.49Å; V436-K440 VanDerWaalsContact O-N 3.1Å; E437-K440 PolarHBondContact O-N 3.14Å; E437-K440 VanDerWaalsContact O-N 3.15Å; K438-K440 VanDerWaalsContact C-N 3.26Å; K438-K440 PolarHBondContact O-N 2.89Å
441	R	53.3	Low	60.7	Low	188 Å²	188	93.9 Å²	93.9	71%	0.709	47%	0.467	S	S	*	.	H	α-helix	trans	-91.3	-24	-179.9	-61.9	-173.3	-158.7	-154.2	8.8	113.4	E437 K438 H443	E437-R441 WeakPolarHBondContact O-CG 3.24Å; E437-R441 PolarHBondContact O-N 2.81Å; E437-R441 VanDerWaalsContact O-N 3.08Å; E437-R441 IonicContact OE2-CZ 2.77Å; E437-R441 IonicContact OE2-NE 2.72Å; E437-R441 IonicContact OE2-NH2 3.02Å; E437-R441 PolarHBondContact OE2-NH2 3.35Å; K438-R441 PolarHBondContact O-N 2.94Å; K438-R441 VanDerWaalsContact O-N 3.14Å; R441-H443 PolarHBondContact O-N 2.85Å
442	L	48.2	Very low	62.4	Low	94 Å²	94	89.9 Å²	89.9	49%	0.492	45%	0.446	S	S	.	.	S	Bend	trans	-64.1	105.2	170.5	-78.8	166.4	0	0	0	109.2	I424 K438 Q444	I424-L442 HydrophobicContact CG2-CD1 4.47Å; K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 VanDerWaalsContact O-CG 3.28Å; K438-L442 WeakPolarHBondContact O-CG 3.4Å; K438-L442 PolarHBondContact O-N 3.12Å; L442-Q444 PolarHBondContact O-N 3.43Å
443	H	50.3	Low	64.1	Low	178 Å²	178	85.8 Å²	85.8	82%	0.824	42%	0.418	S	S	*	.			trans	-55.9	109.5	162.2	-82.7	70.5	0	0	0	107.5	R441 P445	R441-H443 PolarHBondContact O-N 2.85Å; H443-P445 WeakPolarHBondContact O-CD 3.28Å; H443-P445 VanDerWaalsContact O-N 3.12Å
444	Q	49.6	Very low	66	Low	139 Å²	139	79.4 Å²	79.4	65%	0.65	38%	0.384	S	S	*	.			trans	-57.6	119.6	-177.4	-164.4	172	25.1	0	0	108	L442	L442-Q444 PolarHBondContact O-N 3.43Å
445	P	48	Very low	67.8	Low	77 Å²	77	77.8 Å²	77.8	50%	0.5	37%	0.373	S	S	.	.			trans	-58.9	151.5	-178.2	23.3	-32.5	0	0	0	109.6	H443 C447	H443-P445 WeakPolarHBondContact O-CD 3.28Å; H443-P445 VanDerWaalsContact O-N 3.12Å; P445-C447 VanDerWaalsContact C-N 3.29Å; P445-C447 PolarHBondContact O-N 3.36Å; P445-C447 PolarHBondContact O-SG 2.9Å
446	Y	53.9	Low	69.8	Low	180 Å²	180	76.7 Å²	76.7	71%	0.706	37%	0.366	S	S	*	.			trans	-68.6	85.6	-175.5	-83.2	-93.3	0	0	0	111.3	L448	Y446-L448 PolarHBondContact O-N 3.27Å
447	C	61.7	Low	71.5	Confident	27 Å²	27	73.1 Å²	73.1	18%	0.182	34%	0.344	C	S	.	.			trans	-68.4	119.2	179.8	-50.8	0	0	0	0	111	C422 P445 T449	C422-C447 HydrophobicContact CB-CB 3.95Å; C422-C447 WeakPolarHBondContact CB-SG 3.36Å; C422-C447 WeakPolarHBondContact SG-CA 3.11Å; C422-C447 WeakPolarHBondContact SG-CB 3.41Å; C422-C447 CovalentContact SG-SG 2.02Å; C422-C447 PolarHBondContact SG-SG 3.15Å; P445-C447 VanDerWaalsContact C-N 3.29Å; P445-C447 PolarHBondContact O-N 3.36Å; P445-C447 PolarHBondContact O-SG 2.9Å; C447-T449 PolarHBondContact O-N 3.03Å
448	L	72.5	Confident	73.2	Confident	68 Å²	68	68.8 Å²	68.8	36%	0.356	32%	0.324	S	S	.	.			trans	-75.1	110.7	163.5	-64.1	-179.8	0	0	0	108.3	P415 Y446 S450 T496 E517	P415-L448 HydrophobicContact CG-CB 4.24Å; Y446-L448 PolarHBondContact O-N 3.27Å; L448-S450 VanDerWaalsContact C-N 3.3Å; L448-T496 HydrophobicContact CD2-CG2 3.91Å; L448-E517 HydrophobicContact CD2-CG 4.19Å
449	T	77.7	Confident	75	Confident	66 Å²	66	64 Å²	64	41%	0.405	30%	0.303	S	S	.	.			trans	-81.7	-16.2	176.5	71.7	0	0	0	0	112	C447 E517	C447-T449 PolarHBondContact O-N 3.03Å; T449-E517 WeakPolarHBondContact CA-OE2 3.48Å; T449-E517 VanDerWaalsContact CB-OE2 3.32Å; T449-E517 WeakPolarHBondContact CB-OE2 3.45Å; T449-E517 PolarHBondContact N-OE2 3.28Å; T449-E517 PolarHBondContact OG1-OE2 2.79Å
450	S	85.7	Confident	76.8	Confident	8 Å²	8	61.5 Å²	61.5	6%	0.056	30%	0.297	C	S	.	.			trans	-150.1	158.8	180	59.7	0	0	0	0	112.4	E413 L448 H497 E517	E413-S450 CarbonylContact O-C 3.55Å; E413-S450 WeakPolarHBondContact O-CA 3.41Å; L448-S450 VanDerWaalsContact C-N 3.3Å; S450-H497 PolarHBondContact OG-ND1 3.4Å; S450-E517 PolarHBondContact OG-OE1 2.85Å
451	I	90.5	Very high	78.5	Confident	35 Å²	35	54 Å²	54	18%	0.179	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.1	165.7	-168.7	162.9	0	0	0	110.5	R412 E413 P415 D480	R412-I451 VanDerWaalsContact CA-O 3.32Å; R412-I451 WeakPolarHBondContact CA-O 3.47Å; E413-I451 HydrophobicContact CG-CG2 3.88Å; E413-I451 PolarHBondContact N-O 2.91Å; E413-I451 PolarHBondContact O-N 3.1Å; P415-I451 HydrophobicContact CB-CB 4.21Å; P415-I451 HydrophobicContact CB-CG2 3.89Å; I451-D480 WeakPolarHBondContact CD1-OD1 3.13Å
452	A	95.4	Very high	80.4	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.6	175	0	0	0	0	0	111	L481 I498 F514	A452-L481 HydrophobicContact CB-CB 4.3Å; A452-L481 WeakPolarHBondContact CB-O 3.3Å; A452-L481 PolarHBondContact O-N 3.16Å; A452-I498 HydrophobicContact CB-CB 3.72Å; A452-I498 HydrophobicContact CB-CD1 4.48Å; A452-I498 HydrophobicContact CB-CG2 3.43Å; A452-I498 VanDerWaalsContact CB-CG2 3.43Å; A452-F514 HydrophobicContact CB-CD1 4.42Å; A452-F514 HydrophobicContact CB-CE1 3.59Å; A452-F514 HydrophobicContact CB-CZ 4.31Å
453	R	95.3	Very high	82.5	Confident	16 Å²	16	43 Å²	43	6%	0.06	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150	176.3	-53.1	-68.2	-158.6	173.8	3.4	110.7	L411 E413 A479 D480	L411-R453 HydrophobicContact CD1-CB 3.81Å; L411-R453 HydrophobicContact CD1-CG 3.99Å; L411-R453 HydrophobicContact CG-CB 4.18Å; L411-R453 PolarHBondContact N-O 2.94Å; L411-R453 PolarHBondContact O-N 2.89Å; L411-R453 VanDerWaalsContact O-O 3.1Å; E413-R453 HydrophobicContact CG-CG 3.78Å; E413-R453 IonicContact OE1-CZ 3.39Å; E413-R453 IonicContact OE1-NE 3.72Å; E413-R453 PolarHBondContact OE1-NE 3.03Å; E413-R453 IonicContact OE1-NH2 3.51Å; E413-R453 PolarHBondContact OE1-NH2 2.88Å; R453-A479 VanDerWaalsContact CA-O 3.29Å; R453-A479 WeakPolarHBondContact CA-O 3.26Å; R453-D480 WeakPolarHBondContact CD-OD1 3.12Å; R453-D480 IonicContact CZ-OD1 2.7Å; R453-D480 IonicContact NE-OD1 2.64Å; R453-D480 VanDerWaalsContact NH1-CG 3.26Å; R453-D480 IonicContact NH1-OD1 2.63Å; R453-D480 PolarHBondContact NH1-OD1 2.99Å; R453-D480 IonicContact NH1-OD2 2.66Å; R453-D480 PolarHBondContact NH1-OD2 3.18Å
454	L	97.2	Very high	84.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	158	-173.2	60.6	0	0	0	108.1	F401 Y408 V410 K478 A479 L534 F538 V595	F401-L454 HydrophobicContact CE1-CD1 4.26Å; Y408-L454 HydrophobicContact CD1-CD1 3.93Å; Y408-L454 HydrophobicContact CD1-CD2 3.89Å; Y408-L454 HydrophobicContact CD1-CG 3.83Å; Y408-L454 HydrophobicContact CE1-CD2 4.11Å; Y408-L454 HydrophobicContact CE1-CG 4.4Å; Y408-L454 HydrophobicContact CG-CD1 4.44Å; V410-L454 HydrophobicContact CG2-CD1 3.98Å; L454-K478 CarbonylContact O-C 3.49Å; L454-K478 WeakPolarHBondContact O-CA 3.27Å; L454-K478 WeakPolarHBondContact O-CB 3.44Å; L454-A479 PolarHBondContact N-O 3.29Å; L454-A479 PolarHBondContact O-N 3.16Å; L454-L534 HydrophobicContact CD2-CB 4.38Å; L454-L534 HydrophobicContact CD2-CD2 3.59Å; L454-L534 HydrophobicContact CD2-CG 3.52Å; L454-F538 HydrophobicContact CB-CE2 4.44Å; L454-F538 HydrophobicContact CB-CZ 4.46Å; L454-F538 HydrophobicContact CD2-CE2 3.86Å; L454-F538 HydrophobicContact CG-CE2 3.98Å; L454-F538 HydrophobicContact CG-CZ 4.26Å; L454-F538 WeakPolarHBondContact O-CZ 3.32Å; L454-V595 HydrophobicContact CD2-CG2 4.21Å
455	V	97.2	Very high	86.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.2	170.8	174.9	0	0	0	0	108.8	I364 Y408 F409 L411 F476 A477 K478	I364-V455 HydrophobicContact CD1-CG1 4.13Å; Y408-V455 VanDerWaalsContact CA-O 3.29Å; Y408-V455 WeakPolarHBondContact CA-O 3.18Å; Y408-V455 WeakPolarHBondContact CD1-O 3.28Å; F409-V455 HydrophobicContact CB-CB 4.16Å; F409-V455 HydrophobicContact CD2-CB 4.48Å; F409-V455 HydrophobicContact CD2-CG1 4.24Å; F409-V455 PolarHBondContact N-O 3.32Å; F409-V455 PolarHBondContact O-N 3.44Å; L411-V455 HydrophobicContact CD2-CG2 3.53Å; L411-V455 HydrophobicContact CG-CG2 4.15Å; V455-F476 HydrophobicContact CG1-CD2 3.8Å; V455-F476 HydrophobicContact CG1-CE2 3.36Å; V455-F476 HydrophobicContact CG1-CZ 3.84Å; V455-F476 HydrophobicContact CG2-CE2 4.32Å; V455-F476 HydrophobicContact CG2-CZ 4.13Å; V455-A477 CarbonylContact C-O 3.58Å; V455-A477 WeakPolarHBondContact CA-O 3.43Å; V455-K478 HydrophobicContact CG2-CB 4.02Å
456	R	97.1	Very high	88.1	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.9	172.1	-170.6	-170.3	70.7	171.9	-3.4	111.1	E406 I407 Y408 F476 A477 F538 I564	E406-R456 HydrophobicContact CB-CG 4.02Å; E406-R456 WeakPolarHBondContact OE1-CD 3.49Å; E406-R456 IonicContact OE1-CZ 3.62Å; E406-R456 IonicContact OE1-NE 3.88Å; E406-R456 IonicContact OE1-NH1 2.74Å; E406-R456 PolarHBondContact OE1-NH1 3.5Å; I407-R456 WeakPolarHBondContact O-CA 3.46Å; Y408-R456 HydrophobicContact CD1-CB 3.96Å; Y408-R456 HydrophobicContact CD1-CG 4.09Å; Y408-R456 HydrophobicContact CE1-CB 3.71Å; Y408-R456 HydrophobicContact CE1-CG 3.62Å; R456-F476 WeakPolarHBondContact O-CA 3.46Å; R456-A477 PolarHBondContact N-O 2.98Å; R456-A477 PolarHBondContact O-N 3.43Å; R456-F538 HydrophobicContact CB-CD1 3.88Å; R456-F538 HydrophobicContact CB-CD2 4.27Å; R456-F538 HydrophobicContact CB-CE1 3.61Å; R456-F538 HydrophobicContact CB-CE2 4.04Å; R456-F538 HydrophobicContact CB-CG 4.21Å; R456-F538 HydrophobicContact CB-CZ 3.69Å; R456-I564 VanDerWaalsContact NH2-CG2 3.27Å
457	V	96.6	Very high	89.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156	158.5	-59.4	0	0	0	0	109.7	Y353 E406 I407 F409 F473 F476	Y353-V457 HydrophobicContact CD1-CG2 4.45Å; Y353-V457 HydrophobicContact CE1-CG2 4Å; E406-V457 WeakPolarHBondContact CA-O 3.46Å; I407-V457 HydrophobicContact CB-CG2 3.86Å; I407-V457 HydrophobicContact CG1-CG2 4.46Å; I407-V457 PolarHBondContact N-O 2.68Å; I407-V457 PolarHBondContact O-N 3.07Å; F409-V457 HydrophobicContact CE2-CG2 4.11Å; V457-F473 HydrophobicContact CB-CD1 4.02Å; V457-F473 HydrophobicContact CB-CE1 4.3Å; V457-F473 HydrophobicContact CG1-CB 4.29Å; V457-F473 HydrophobicContact CG1-CD1 3.74Å; V457-F473 HydrophobicContact CG1-CE1 4.18Å; V457-F473 HydrophobicContact CG1-CG 3.97Å; V457-F473 HydrophobicContact CG2-CD1 4.41Å; V457-F473 HydrophobicContact CG2-CE1 4.19Å; V457-F476 HydrophobicContact CG1-CB 4.38Å; V457-F476 HydrophobicContact CG1-CD2 4.37Å
458	C	96.1	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	143.8	175.2	-50.4	0	0	0	0	110.7	G460 D461 T475 C565	C458-G460 VanDerWaalsContact C-N 3.33Å; C458-G460 PolarHBondContact O-N 3.08Å; C458-D461 WeakPolarHBondContact O-CB 3.41Å; C458-D461 PolarHBondContact O-N 2.89Å; C458-D461 VanDerWaalsContact O-N 3.13Å; C458-T475 HydrophobicContact CB-CG2 3.95Å; C458-T475 PolarHBondContact N-OG1 3.41Å; C458-T475 WeakPolarHBondContact SG-CB 3.34Å; C458-T475 VanDerWaalsContact SG-CG2 3.58Å; C458-C565 VanDerWaalsContact CA-SG 3.53Å; C458-C565 HydrophobicContact CB-CB 3.57Å; C458-C565 WeakPolarHBondContact CB-SG 3.5Å; C458-C565 WeakPolarHBondContact SG-CA 3.2Å; C458-C565 WeakPolarHBondContact SG-CB 3.32Å; C458-C565 CovalentContact SG-SG 2.03Å; C458-C565 PolarHBondContact SG-SG 2.8Å
459	K	95.3	Very high	91.2	Very high	25 Å²	25	30.8 Å²	30.8	11%	0.109	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-45.7	176.8	-73.9	176.3	164.7	176.5	0	112.2	D349 R366 E402 T403 S404 D405 I407 D461	D349-K459 HydrophobicContact CB-CB 4.13Å; D349-K459 HydrophobicContact CB-CD 4.25Å; D349-K459 HydrophobicContact CB-CG 4.28Å; D349-K459 WeakPolarHBondContact OD2-CB 3.38Å; D349-K459 WeakPolarHBondContact OD2-CG 3.38Å; R366-K459 PolarHBondContact NH1-O 3.11Å; E402-K459 VanDerWaalsContact OE2-CE 3.22Å; E402-K459 WeakPolarHBondContact OE2-CE 3.15Å; E402-K459 IonicContact OE2-NZ 3.24Å; E402-K459 PolarHBondContact OE2-NZ 2.79Å; T403-K459 WeakPolarHBondContact O-CE 3.41Å; T403-K459 PolarHBondContact O-NZ 3.46Å; S404-K459 PolarHBondContact O-NZ 2.84Å; D405-K459 PolarHBondContact O-N 2.78Å; I407-K459 HydrophobicContact CD1-CD 4.36Å; I407-K459 VanDerWaalsContact CD1-CE 3.5Å; I407-K459 HydrophobicContact CD1-CG 3.9Å; I407-K459 HydrophobicContact CG1-CG 4.03Å; K459-D461 VanDerWaalsContact C-N 3.26Å; K459-D461 PolarHBondContact O-N 3.44Å
460	G	93.3	Very high	91.7	Very high	27 Å²	27	30.6 Å²	30.6	28%	0.278	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	20.2	176.2	0	0	0	0	0	116.1	C458 P462 N569	C458-G460 VanDerWaalsContact C-N 3.33Å; C458-G460 PolarHBondContact O-N 3.08Å; G460-P462 WeakPolarHBondContact O-CD 3.48Å; G460-P462 VanDerWaalsContact O-N 3.17Å; G460-N569 WeakPolarHBondContact CA-OD1 3.12Å; G460-N569 PolarHBondContact N-OD1 2.95Å
461	D	94.4	Very high	92	Very high	2 Å²	2	34 Å²	34	1%	0.011	19%	0.19	C	C	.	.			trans	-54.9	118.6	176.8	-169.5	-43	0	0	0	110.7	R366 L382 C458 K459 G463 F473 A474 T475	R366-D461 PolarHBondContact NH1-O 2.61Å; R366-D461 PolarHBondContact NH2-O 2.93Å; L382-D461 HydrophobicContact CD1-CB 3.84Å; L382-D461 WeakPolarHBondContact CD1-OD1 3.3Å; C458-D461 WeakPolarHBondContact O-CB 3.41Å; C458-D461 PolarHBondContact O-N 2.89Å; C458-D461 VanDerWaalsContact O-N 3.13Å; K459-D461 VanDerWaalsContact C-N 3.26Å; K459-D461 PolarHBondContact O-N 3.44Å; D461-G463 VanDerWaalsContact C-N 3.27Å; D461-G463 PolarHBondContact O-N 3.39Å; D461-G463 WeakPolarHBondContact OD1-CA 3.49Å; D461-G463 PolarHBondContact OD1-N 3.39Å; D461-F473 HydrophobicContact CB-CD1 4.42Å; D461-F473 WeakPolarHBondContact OD2-CA 3.09Å; D461-A474 WeakPolarHBondContact OD1-CB 3.04Å; D461-A474 PolarHBondContact OD1-N 2.95Å; D461-A474 PolarHBondContact OD2-N 2.8Å; D461-T475 HydrophobicContact CB-CG2 4.09Å; D461-T475 VanDerWaalsContact OD2-CB 3.3Å; D461-T475 WeakPolarHBondContact OD2-CB 3.26Å; D461-T475 WeakPolarHBondContact OD2-CG2 3.45Å; D461-T475 PolarHBondContact OD2-N 3.37Å; D461-T475 PolarHBondContact OD2-OG1 3.42Å
462	P	91.8	Very high	92.2	Very high	50 Å²	50	35.3 Å²	35.3	33%	0.325	19%	0.193	S	C	.	.			trans	-90.3	14.9	-174.6	39.9	-39.7	0	0	0	112.9	G460 F568 R582	G460-P462 WeakPolarHBondContact O-CD 3.48Å; G460-P462 VanDerWaalsContact O-N 3.17Å; P462-F568 HydrophobicContact CG-CD1 3.94Å; P462-F568 HydrophobicContact CG-CE1 3.54Å; P462-F568 HydrophobicContact CG-CZ 4.04Å; P462-R582 PolarHBondContact O-NH2 2.84Å
463	G	93.1	Very high	92.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.			trans	70.6	161	-167.9	0	0	0	0	0	112.7	L382 D461 S470 R472 R582	L382-G463 VanDerWaalsContact CD2-CA 3.49Å; D461-G463 VanDerWaalsContact C-N 3.27Å; D461-G463 PolarHBondContact O-N 3.39Å; D461-G463 WeakPolarHBondContact OD1-CA 3.49Å; D461-G463 PolarHBondContact OD1-N 3.39Å; G463-S470 WeakPolarHBondContact CA-O 3.44Å; G463-R472 CarbonylContact C-O 3.54Å; G463-R472 WeakPolarHBondContact CA-O 3.47Å; G463-R582 WeakPolarHBondContact O-CG 3.28Å; G463-R582 PolarHBondContact O-NE 3.12Å
464	G	91.1	Very high	92.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	-69.5	-153	179.6	0	0	0	0	0	114.5	S469 R472 R582	G464-S469 VanDerWaalsContact CA-O 3.26Å; G464-S469 WeakPolarHBondContact CA-O 3.37Å; G464-S469 WeakPolarHBondContact CA-OG 3.27Å; G464-S469 PolarHBondContact N-O 2.97Å; G464-S469 VanDerWaalsContact N-O 3.1Å; G464-R472 PolarHBondContact N-O 3.09Å; G464-R582 VanDerWaalsContact O-CD 3.29Å; G464-R582 WeakPolarHBondContact O-CD 3.23Å; G464-R582 PolarHBondContact O-NE 2.91Å
465	L	89.2	Confident	92	Very high	30 Å²	30	35 Å²	35	16%	0.157	19%	0.192	C	C	.	.			trans	-67.1	130	-172.9	-67.1	172.5	0	0	0	111.1	H467 I468 S469 S470 R582 R583 L586	L465-H467 VanDerWaalsContact C-N 3.3Å; L465-H467 PolarHBondContact O-N 2.78Å; L465-I468 HydrophobicContact CB-CB 4.21Å; L465-I468 HydrophobicContact CB-CD1 4.34Å; L465-I468 HydrophobicContact CB-CG1 4.44Å; L465-I468 HydrophobicContact CD1-CD1 4.11Å; L465-I468 PolarHBondContact O-N 3.38Å; L465-S469 PolarHBondContact N-OG 3.44Å; L465-S469 PolarHBondContact O-N 2.76Å; L465-S470 PolarHBondContact O-N 2.73Å; L465-R582 HydrophobicContact CD2-CB 3.97Å; L465-R582 HydrophobicContact CG-CB 4.44Å; L465-R583 HydrophobicContact CD1-CG 4.22Å; L465-R583 HydrophobicContact CD2-CG 4.24Å; L465-L586 HydrophobicContact CD1-CD1 4.42Å
466	P	84.5	Confident	91.9	Very high	67 Å²	67	35 Å²	35	44%	0.435	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.2	-165.7	-34.7	36.6	0	0	0	116.9	S470	P466-S470 VanDerWaalsContact O-CB 3.27Å; P466-S470 WeakPolarHBondContact O-CB 3.37Å; P466-S470 PolarHBondContact O-OG 3Å
467	H	83.3	Confident	91.8	Very high	187 Å²	187	35 Å²	35	87%	0.866	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	7.9	-175.6	-52.6	-66.8	0	0	0	114.3	L465	L465-H467 VanDerWaalsContact C-N 3.3Å; L465-H467 PolarHBondContact O-N 2.78Å
468	I	82.5	Confident	91.7	Very high	118 Å²	118	35 Å²	35	61%	0.605	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128	-44.8	-174.2	-52.7	176.9	0	0	0	111.2	L465	L465-I468 HydrophobicContact CB-CB 4.21Å; L465-I468 HydrophobicContact CB-CD1 4.34Å; L465-I468 HydrophobicContact CB-CG1 4.44Å; L465-I468 HydrophobicContact CD1-CD1 4.11Å; L465-I468 PolarHBondContact O-N 3.38Å
469	S	87.2	Confident	91.7	Very high	9 Å²	9	35 Å²	35	6%	0.063	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.1	33.1	-169.6	78.1	0	0	0	0	112.4	G464 L465 N471 R472	G464-S469 VanDerWaalsContact CA-O 3.26Å; G464-S469 WeakPolarHBondContact CA-O 3.37Å; G464-S469 WeakPolarHBondContact CA-OG 3.27Å; G464-S469 PolarHBondContact N-O 2.97Å; G464-S469 VanDerWaalsContact N-O 3.1Å; L465-S469 PolarHBondContact N-OG 3.44Å; L465-S469 PolarHBondContact O-N 2.76Å; S469-N471 PolarHBondContact O-N 2.04Å; S469-R472 PolarHBondContact O-N 3.18Å
470	S	89.2	Confident	91.6	Very high	63 Å²	63	36 Å²	36	44%	0.441	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.7	-179.3	38	0	0	0	0	113.6	L382 G463 L465 P466 R472	L382-S470 WeakPolarHBondContact CD2-O 3.34Å; G463-S470 WeakPolarHBondContact CA-O 3.44Å; L465-S470 PolarHBondContact O-N 2.73Å; P466-S470 VanDerWaalsContact O-CB 3.27Å; P466-S470 WeakPolarHBondContact O-CB 3.37Å; P466-S470 PolarHBondContact O-OG 3Å; S470-R472 VanDerWaalsContact C-N 3.33Å
471	N	91.8	Very high	91.7	Very high	78 Å²	78	35 Å²	35	42%	0.417	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	7.6	173	66.6	-4.3	0	0	0	114	L382 V383 S469	L382-N471 CarbonylContact C-O 3.48Å; L382-N471 WeakPolarHBondContact CA-O 3.31Å; V383-N471 PolarHBondContact N-O 2.86Å; S469-N471 PolarHBondContact O-N 2.04Å
472	R	94.2	Very high	91.7	Very high	64 Å²	64	37.5 Å²	37.5	24%	0.242	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-112.8	146.9	178.1	-51.5	-62.5	179.5	157.6	2.5	111.7	V383 T384 G463 G464 S469 S470 A474	V383-R472 VanDerWaalsContact O-CA 3.3Å; V383-R472 WeakPolarHBondContact O-CA 3.49Å; V383-R472 VanDerWaalsContact O-CD 3.29Å; V383-R472 WeakPolarHBondContact O-CD 3.33Å; T384-R472 PolarHBondContact O-NH1 3.11Å; G463-R472 CarbonylContact C-O 3.54Å; G463-R472 WeakPolarHBondContact CA-O 3.47Å; G464-R472 PolarHBondContact N-O 3.09Å; S469-R472 PolarHBondContact O-N 3.18Å; S470-R472 VanDerWaalsContact C-N 3.33Å; R472-A474 PolarHBondContact O-N 3.32Å
473	F	95.1	Very high	91.9	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.026	18%	0.184	C	C	.	.			trans	-60.5	114.9	178.4	-68.6	-81.9	0	0	0	112.9	Y353 I364 R366 L382 T384 V457 D461 T475 F476 S585	Y353-F473 HydrophobicContact CE1-CE1 4.4Å; I364-F473 HydrophobicContact CG2-CE2 4.11Å; I364-F473 HydrophobicContact CG2-CZ 4.22Å; R366-F473 HydrophobicContact CB-CE1 4.11Å; R366-F473 HydrophobicContact CB-CZ 3.81Å; L382-F473 HydrophobicContact CB-CD1 3.93Å; L382-F473 HydrophobicContact CB-CD2 4.16Å; L382-F473 HydrophobicContact CB-CE1 3.72Å; L382-F473 HydrophobicContact CB-CE2 3.96Å; L382-F473 HydrophobicContact CB-CG 4.15Å; L382-F473 HydrophobicContact CB-CZ 3.74Å; L382-F473 HydrophobicContact CD1-CD1 3.61Å; L382-F473 HydrophobicContact CD1-CE1 3.89Å; L382-F473 HydrophobicContact CD1-CG 4.25Å; L382-F473 HydrophobicContact CG-CD1 4.44Å; L382-F473 HydrophobicContact CG-CE1 4.46Å; T384-F473 HydrophobicContact CG2-CD2 4.12Å; T384-F473 HydrophobicContact CG2-CE2 4.42Å; V457-F473 HydrophobicContact CB-CD1 4.02Å; V457-F473 HydrophobicContact CB-CE1 4.3Å; V457-F473 HydrophobicContact CG1-CB 4.29Å; V457-F473 HydrophobicContact CG1-CD1 3.74Å; V457-F473 HydrophobicContact CG1-CE1 4.18Å; V457-F473 HydrophobicContact CG1-CG 3.97Å; V457-F473 HydrophobicContact CG2-CD1 4.41Å; V457-F473 HydrophobicContact CG2-CE1 4.19Å; D461-F473 HydrophobicContact CB-CD1 4.42Å; D461-F473 WeakPolarHBondContact OD2-CA 3.09Å; F473-T475 PolarHBondContact O-N 3.09Å; F473-F476 HydrophobicContact CB-CB 4.02Å; F473-S585 PolarHBondContact O-OG 3.03Å; F473-S585 VanDerWaalsContact O-OG 3.06Å
474	A	93.6	Very high	91.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	19%	0.192	C	C	.	.	S	Bend	trans	-67.7	-25.3	172.7	0	0	0	0	0	113	D461 R472 R582 S585	D461-A474 WeakPolarHBondContact OD1-CB 3.04Å; D461-A474 PolarHBondContact OD1-N 2.95Å; D461-A474 PolarHBondContact OD2-N 2.8Å; R472-A474 PolarHBondContact O-N 3.32Å; A474-R582 HydrophobicContact CB-CG 4.13Å; A474-S585 VanDerWaalsContact C-CB 3.49Å; A474-S585 WeakPolarHBondContact O-CB 3.32Å; A474-S585 PolarHBondContact O-N 2.65Å
475	T	94.9	Very high	91.9	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.025	20%	0.195	C	C	.	.	S	Bend	trans	-109	0.8	-167.3	67.2	0	0	0	0	114.2	C458 D461 F473 A477 I564 F568	C458-T475 HydrophobicContact CB-CG2 3.95Å; C458-T475 PolarHBondContact N-OG1 3.41Å; C458-T475 WeakPolarHBondContact SG-CB 3.34Å; C458-T475 VanDerWaalsContact SG-CG2 3.58Å; D461-T475 HydrophobicContact CB-CG2 4.09Å; D461-T475 VanDerWaalsContact OD2-CB 3.3Å; D461-T475 WeakPolarHBondContact OD2-CB 3.26Å; D461-T475 WeakPolarHBondContact OD2-CG2 3.45Å; D461-T475 PolarHBondContact OD2-N 3.37Å; D461-T475 PolarHBondContact OD2-OG1 3.42Å; F473-T475 PolarHBondContact O-N 3.09Å; T475-A477 PolarHBondContact O-N 2.6Å; T475-I564 HydrophobicContact CG2-CD1 4.43Å; T475-I564 HydrophobicContact CG2-CG1 4.46Å; T475-F568 HydrophobicContact CG2-CD2 3.72Å; T475-F568 HydrophobicContact CG2-CE2 3.76Å
476	F	95.8	Very high	91.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.199	C	C	.	.			trans	-52.6	126.6	176.2	-177	-79.9	0	0	0	111.1	I364 T384 F390 I391 V455 R456 V457 F473 K478 P589	I364-F476 HydrophobicContact CD1-CE2 4.48Å; T384-F476 HydrophobicContact CG2-CD2 3.74Å; T384-F476 HydrophobicContact CG2-CE2 3.7Å; F390-F476 HydrophobicContact CB-CE1 4.09Å; F390-F476 HydrophobicContact CB-CZ 4.12Å; F390-F476 HydrophobicContact CD1-CB 4.45Å; F390-F476 AromaticContact CD1-CD1 3.5Å; F390-F476 HydrophobicContact CD1-CD1 3.5Å; F390-F476 VanDerWaalsContact CD1-CD1 3.5Å; F390-F476 HydrophobicContact CD1-CD2 4.4Å; F390-F476 AromaticContact CD1-CE1 3.75Å; F390-F476 HydrophobicContact CD1-CE1 3.75Å; F390-F476 AromaticContact CD1-CG 3.88Å; F390-F476 HydrophobicContact CD1-CG 3.88Å; F390-F476 HydrophobicContact CD1-CZ 4.29Å; F390-F476 HydrophobicContact CE1-CB 4.44Å; F390-F476 HydrophobicContact CE1-CD1 4.04Å; F390-F476 HydrophobicContact CE1-CG 4.33Å; F390-F476 HydrophobicContact CG-CD1 4.46Å; F390-F476 HydrophobicContact CG-CE1 4.31Å; F390-F476 VanDerWaalsContact O-CZ 3.31Å; F390-F476 WeakPolarHBondContact O-CZ 3.31Å; I391-F476 HydrophobicContact CG1-CE2 4.46Å; I391-F476 HydrophobicContact CG1-CZ 4.22Å; V455-F476 HydrophobicContact CG1-CD2 3.8Å; V455-F476 HydrophobicContact CG1-CE2 3.36Å; V455-F476 HydrophobicContact CG1-CZ 3.84Å; V455-F476 HydrophobicContact CG2-CE2 4.32Å; V455-F476 HydrophobicContact CG2-CZ 4.13Å; R456-F476 WeakPolarHBondContact O-CA 3.46Å; V457-F476 HydrophobicContact CG1-CB 4.38Å; V457-F476 HydrophobicContact CG1-CD2 4.37Å; F473-F476 HydrophobicContact CB-CB 4.02Å; F476-K478 HydrophobicContact CE1-CD 4.47Å; F476-K478 HydrophobicContact CE1-CG 4.36Å; F476-P589 HydrophobicContact CD1-CB 4.3Å
477	A	95.4	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.3	169.8	0	0	0	0	0	109.5	V455 R456 T475 F538 P589	V455-A477 CarbonylContact C-O 3.58Å; V455-A477 WeakPolarHBondContact CA-O 3.43Å; R456-A477 PolarHBondContact N-O 2.98Å; R456-A477 PolarHBondContact O-N 3.43Å; T475-A477 PolarHBondContact O-N 2.6Å; A477-F538 HydrophobicContact CB-CD1 3.82Å; A477-F538 HydrophobicContact CB-CE1 3.78Å; A477-P589 CarbonylContact C-O 3.6Å; A477-P589 WeakPolarHBondContact CA-O 3.22Å
478	K	95	Very high	91.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.7	170.1	64.3	177.4	174.4	179.5	0	113.1	T389 F390 E413 L454 V455 F476 P589 Y590 R591	T389-K478 VanDerWaalsContact O-CE 3.24Å; T389-K478 WeakPolarHBondContact O-CE 3.33Å; T389-K478 PolarHBondContact O-NZ 2.93Å; F390-K478 WeakPolarHBondContact O-CD 3.04Å; F390-K478 WeakPolarHBondContact O-CE 2.99Å; F390-K478 PolarHBondContact O-NZ 2.88Å; E413-K478 IonicContact OE1-NZ 3.58Å; E413-K478 PolarHBondContact OE1-NZ 2.89Å; E413-K478 IonicContact OE2-NZ 3.66Å; E413-K478 PolarHBondContact OE2-NZ 3.01Å; L454-K478 CarbonylContact O-C 3.49Å; L454-K478 WeakPolarHBondContact O-CA 3.27Å; L454-K478 WeakPolarHBondContact O-CB 3.44Å; V455-K478 HydrophobicContact CG2-CB 4.02Å; F476-K478 HydrophobicContact CE1-CD 4.47Å; F476-K478 HydrophobicContact CE1-CG 4.36Å; K478-P589 PolarHBondContact N-O 2.79Å; K478-Y590 HydrophobicContact CD-CE1 4.33Å; K478-Y590 VanDerWaalsContact CE-OH 3.26Å; K478-Y590 WeakPolarHBondContact CE-OH 3.35Å; K478-Y590 HydrophobicContact CG-CD1 4.36Å; K478-Y590 HydrophobicContact CG-CE1 4.4Å; K478-Y590 PolarHBondContact NZ-OH 3.29Å; K478-R591 PolarHBondContact O-N 2.93Å
479	A	95.1	Very high	91.4	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.2	178.1	0	0	0	0	0	110.1	R453 L454 S537 F538 R591 V595	R453-A479 VanDerWaalsContact CA-O 3.29Å; R453-A479 WeakPolarHBondContact CA-O 3.26Å; L454-A479 PolarHBondContact N-O 3.29Å; L454-A479 PolarHBondContact O-N 3.16Å; A479-S537 WeakPolarHBondContact CB-OG 3.34Å; A479-F538 HydrophobicContact CB-CE1 4.41Å; A479-F538 HydrophobicContact CB-CE2 4.49Å; A479-F538 HydrophobicContact CB-CZ 4.12Å; A479-R591 HydrophobicContact CB-CB 4.06Å; A479-R591 HydrophobicContact CB-CG 4.5Å; A479-V595 HydrophobicContact CB-CG2 4.03Å
480	D	94.2	Very high	90.7	Very high	46 Å²	46	40.3 Å²	40.3	25%	0.246	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137	170.9	-73.7	-49.6	0	0	0	111.3	I451 R453 I482 P594 V595	I451-D480 WeakPolarHBondContact CD1-OD1 3.13Å; R453-D480 WeakPolarHBondContact CD-OD1 3.12Å; R453-D480 IonicContact CZ-OD1 2.7Å; R453-D480 IonicContact NE-OD1 2.64Å; R453-D480 VanDerWaalsContact NH1-CG 3.26Å; R453-D480 IonicContact NH1-OD1 2.63Å; R453-D480 PolarHBondContact NH1-OD1 2.99Å; R453-D480 IonicContact NH1-OD2 2.66Å; R453-D480 PolarHBondContact NH1-OD2 3.18Å; D480-I482 HydrophobicContact CB-CG2 4.17Å; D480-P594 HydrophobicContact CB-CB 4.01Å; D480-P594 CarbonylContact O-C 3.58Å; D480-P594 WeakPolarHBondContact O-CA 3.48Å; D480-V595 PolarHBondContact O-N 2.86Å
481	L	95.2	Very high	90.1	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-110.7	100	177.2	-174.4	66.6	0	0	0	108.3	V410 A452 I498 L510 F514 Y529 V595	V410-L481 HydrophobicContact CG1-CD2 4.11Å; A452-L481 HydrophobicContact CB-CB 4.3Å; A452-L481 WeakPolarHBondContact CB-O 3.3Å; A452-L481 PolarHBondContact O-N 3.16Å; L481-I498 HydrophobicContact CD2-CD1 3.9Å; L481-L510 HydrophobicContact CD2-CD2 4.37Å; L481-F514 HydrophobicContact CD2-CZ 4.34Å; L481-F514 HydrophobicContact CG-CZ 4.17Å; L481-F514 WeakPolarHBondContact O-CE1 3.21Å; L481-Y529 HydrophobicContact CD1-CD1 3.69Å; L481-Y529 HydrophobicContact CD1-CD2 4.06Å; L481-Y529 HydrophobicContact CD1-CE1 3.48Å; L481-Y529 VanDerWaalsContact CD1-CE1 3.48Å; L481-Y529 HydrophobicContact CD1-CE2 3.87Å; L481-Y529 HydrophobicContact CD1-CG 3.99Å; L481-Y529 HydrophobicContact CG-CE1 4.18Å; L481-Y529 HydrophobicContact CG-CE2 4.2Å; L481-V595 HydrophobicContact CD1-CB 3.75Å; L481-V595 HydrophobicContact CD1-CG1 3.72Å
482	I	94.6	Very high	89.7	Confident	56 Å²	56	43.6 Å²	43.6	29%	0.287	23%	0.233	S	C	.	.			trans	-102.7	133.9	-165.3	63.3	171.4	0	0	0	113	D480 P484 Y529 P594 V595 K596 P597	D480-I482 HydrophobicContact CB-CG2 4.17Å; I482-P484 VanDerWaalsContact C-CD 3.46Å; I482-P484 WeakPolarHBondContact O-CD 3.27Å; I482-Y529 PolarHBondContact O-OH 3.04Å; I482-Y529 VanDerWaalsContact O-OH 3.07Å; I482-P594 HydrophobicContact CD1-CB 3.91Å; I482-P594 HydrophobicContact CD1-CG 3.78Å; I482-P594 HydrophobicContact CG1-CB 4.06Å; I482-P594 HydrophobicContact CG1-CG 4.45Å; I482-P594 HydrophobicContact CG2-CB 3.93Å; I482-V595 PolarHBondContact N-O 2.87Å; I482-K596 HydrophobicContact CD1-CG 4.44Å; I482-P597 WeakPolarHBondContact O-CD 3.22Å
483	C	95.5	Very high	89.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	76.6	175.5	-163.1	0	0	0	0	112.5	Y495 F514 C527	C483-Y495 PolarHBondContact O-N 2.65Å; C483-F514 HydrophobicContact CB-CB 4.41Å; C483-F514 HydrophobicContact CB-CD1 3.85Å; C483-F514 HydrophobicContact CB-CD2 3.54Å; C483-F514 HydrophobicContact CB-CE1 3.89Å; C483-F514 HydrophobicContact CB-CE2 3.64Å; C483-F514 HydrophobicContact CB-CG 3.69Å; C483-F514 HydrophobicContact CB-CZ 3.82Å; C483-C527 WeakPolarHBondContact CA-SG 3.38Å; C483-C527 HydrophobicContact CB-CB 3.97Å; C483-C527 WeakPolarHBondContact CB-SG 3.49Å; C483-C527 WeakPolarHBondContact SG-CB 3.24Å; C483-C527 CovalentContact SG-SG 2.04Å; C483-C527 PolarHBondContact SG-SG 3.16Å
484	P	93.1	Very high	88.9	Confident	23 Å²	23	47.3 Å²	47.3	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.7	174	31.4	-32.3	0	0	0	111	I482 F493 H601 A602	I482-P484 VanDerWaalsContact C-CD 3.46Å; I482-P484 WeakPolarHBondContact O-CD 3.27Å; P484-F493 CarbonylContact C-O 3.56Å; P484-H601 CarbonylContact O-C 3.58Å; P484-H601 WeakPolarHBondContact O-CA 3.47Å; P484-H601 WeakPolarHBondContact O-CB 3.44Å; P484-A602 PolarHBondContact O-N 2.72Å
485	A	91.4	Very high	88.8	Confident	11 Å²	11	48 Å²	48	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	150.6	163.2	0	0	0	0	0	110.7	T182 Y492 F493 Y495 A602	T182-A485 HydrophobicContact CG2-CB 3.97Å; T182-A485 VanDerWaalsContact OG1-CA 3.26Å; T182-A485 WeakPolarHBondContact OG1-CA 3.46Å; A485-Y492 CarbonylContact O-C 3.6Å; A485-Y492 WeakPolarHBondContact O-CA 3.47Å; A485-Y492 WeakPolarHBondContact O-CB 3.25Å; A485-F493 PolarHBondContact N-O 3.39Å; A485-F493 PolarHBondContact O-N 3.45Å; A485-Y495 HydrophobicContact CB-CD2 4.21Å; A485-Y495 HydrophobicContact CB-CE2 3.74Å; A485-A602 HydrophobicContact CB-CB 4.24Å
486	T	88.7	Confident	88.6	Confident	38 Å²	38	49 Å²	49	23%	0.233	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.9	-179.7	53.2	0	0	0	0	111.9	S180 T182 G491 H601	S180-T486 PolarHBondContact O-OG1 2.7Å; T182-T486 PolarHBondContact N-O 2.88Å; T182-T486 PolarHBondContact OG1-N 2.81Å; T182-T486 VanDerWaalsContact OG1-N 3.09Å; T486-G491 WeakPolarHBondContact CA-O 3.35Å; T486-H601 HydrophobicContact CG2-CB 3.94Å; T486-H601 WeakPolarHBondContact OG1-CB 3.13Å
487	N	84	Confident	88.4	Confident	81 Å²	81	50.6 Å²	50.6	43%	0.433	27%	0.273	S	S	.	.			trans	-109.3	170.3	174.6	76.6	14.6	0	0	0	112.3	N489 G490 G491	N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-N 3.25Å; N487-N489 VanDerWaalsContact OD1-N 3.17Å; N487-G490 PolarHBondContact O-N 2.58Å; N487-G490 PolarHBondContact OD1-N 2.92Å; N487-G491 PolarHBondContact N-O 2.82Å; N487-G491 WeakPolarHBondContact OD1-CA 3.46Å; N487-G491 PolarHBondContact OD1-N 3.26Å; N487-G491 PolarHBondContact OD1-O 2.94Å
488	E	78.4	Confident	88.4	Confident	172 Å²	172	50.6 Å²	50.6	80%	0.804	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31	-175.9	-65	174.8	-172.9	0	0	112.8	T181 G490	T181-E488 HydrophobicContact CG2-CB 4.39Å; T181-E488 HydrophobicContact CG2-CG 3.82Å; E488-G490 PolarHBondContact O-N 2.82Å
489	N	78	Confident	88.3	Confident	151 Å²	151	51.4 Å²	51.4	81%	0.807	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	3.5	176.5	-62.4	-14.4	0	0	0	113.1	N487 G491	N487-N489 PolarHBondContact O-N 3.07Å; N487-N489 PolarHBondContact OD1-N 3.25Å; N487-N489 VanDerWaalsContact OD1-N 3.17Å; N489-G491 PolarHBondContact O-N 2.82Å
490	G	72.2	Confident	88.4	Confident	44 Å²	44	52.5 Å²	52.5	45%	0.454	29%	0.285	S	S	.	.	S	Bend	trans	75.8	5.5	-178.4	0	0	0	0	0	114.9	N487 E488	N487-G490 PolarHBondContact O-N 2.58Å; N487-G490 PolarHBondContact OD1-N 2.92Å; E488-G490 PolarHBondContact O-N 2.82Å
491	G	76.4	Confident	88.5	Confident	32 Å²	32	50.7 Å²	50.7	33%	0.33	28%	0.277	S	S	.	.			trans	-68.9	147	168.7	0	0	0	0	0	110.9	T486 N487 N489	T486-G491 WeakPolarHBondContact CA-O 3.35Å; N487-G491 PolarHBondContact N-O 2.82Å; N487-G491 WeakPolarHBondContact OD1-CA 3.46Å; N487-G491 PolarHBondContact OD1-N 3.26Å; N487-G491 PolarHBondContact OD1-O 2.94Å; N489-G491 PolarHBondContact O-N 2.82Å
492	Y	82.4	Confident	88.5	Confident	179 Å²	179	51.1 Å²	51.1	70%	0.702	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.8	-179.5	73	-87.3	0	0	0	111.9	A485	A485-Y492 CarbonylContact O-C 3.6Å; A485-Y492 WeakPolarHBondContact O-CA 3.47Å; A485-Y492 WeakPolarHBondContact O-CB 3.25Å
493	F	85.9	Confident	88.5	Confident	95 Å²	95	48.6 Å²	48.6	42%	0.417	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.6	173.3	178.2	-87.8	0	0	0	109.1	P484 A485 Y495 T516	P484-F493 CarbonylContact C-O 3.56Å; A485-F493 PolarHBondContact N-O 3.39Å; A485-F493 PolarHBondContact O-N 3.45Å; F493-Y495 AromaticContact CD1-CD2 3.73Å; F493-Y495 HydrophobicContact CD1-CD2 3.73Å; F493-Y495 AromaticContact CD1-CE2 3.54Å; F493-Y495 HydrophobicContact CD1-CE2 3.54Å; F493-Y495 HydrophobicContact CD1-CG 4.29Å; F493-Y495 AromaticContact CD1-CZ 3.98Å; F493-Y495 HydrophobicContact CE1-CD1 4.15Å; F493-Y495 AromaticContact CE1-CD2 4Å; F493-Y495 HydrophobicContact CE1-CD2 4Å; F493-Y495 HydrophobicContact CE1-CE1 4.12Å; F493-Y495 AromaticContact CE1-CE2 3.96Å; F493-Y495 HydrophobicContact CE1-CE2 3.96Å; F493-Y495 HydrophobicContact CE1-CG 4.09Å; F493-T516 HydrophobicContact CE1-CG2 3.97Å; F493-T516 HydrophobicContact CZ-CG2 3.95Å
494	S	87.4	Confident	88.3	Confident	52 Å²	52	49 Å²	49	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.7	-178.4	-167.3	0	0	0	0	111.2
495	Y	92	Very high	88.2	Confident	16 Å²	16	50.3 Å²	50.3	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.8	167.2	-66.9	-101.3	0	0	0	108.6	C483 A485 F493 F514 T516 A525 S605	C483-Y495 PolarHBondContact O-N 2.65Å; A485-Y495 HydrophobicContact CB-CD2 4.21Å; A485-Y495 HydrophobicContact CB-CE2 3.74Å; F493-Y495 AromaticContact CD1-CD2 3.73Å; F493-Y495 HydrophobicContact CD1-CD2 3.73Å; F493-Y495 AromaticContact CD1-CE2 3.54Å; F493-Y495 HydrophobicContact CD1-CE2 3.54Å; F493-Y495 HydrophobicContact CD1-CG 4.29Å; F493-Y495 AromaticContact CD1-CZ 3.98Å; F493-Y495 HydrophobicContact CE1-CD1 4.15Å; F493-Y495 AromaticContact CE1-CD2 4Å; F493-Y495 HydrophobicContact CE1-CD2 4Å; F493-Y495 HydrophobicContact CE1-CE1 4.12Å; F493-Y495 AromaticContact CE1-CE2 3.96Å; F493-Y495 HydrophobicContact CE1-CE2 3.96Å; F493-Y495 HydrophobicContact CE1-CG 4.09Å; Y495-F514 HydrophobicContact CG-CB 4.48Å; Y495-F514 WeakPolarHBondContact O-CD1 3.32Å; Y495-T516 HydrophobicContact CD1-CG2 4.19Å; Y495-T516 HydrophobicContact CE1-CG2 3.86Å; Y495-A525 HydrophobicContact CD1-CB 3.93Å; Y495-A525 HydrophobicContact CD2-CB 3.52Å; Y495-A525 HydrophobicContact CE1-CB 4Å; Y495-A525 HydrophobicContact CE2-CB 3.6Å; Y495-A525 HydrophobicContact CG-CB 3.7Å; Y495-S605 PolarHBondContact OH-OG 2.92Å
496	T	89.4	Confident	87.9	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.147	31%	0.305	C	S	.	.			trans	-109.2	-27.4	-173.8	51.4	0	0	0	0	113.7	L448 I498 E517	L448-T496 HydrophobicContact CD2-CG2 3.91Å; T496-I498 PolarHBondContact O-N 2.87Å; T496-I498 VanDerWaalsContact O-N 3.11Å; T496-E517 VanDerWaalsContact OG1-CG 3.25Å; T496-E517 WeakPolarHBondContact OG1-CG 3.48Å; T496-E517 PolarHBondContact OG1-OE1 2.81Å
497	H	91.9	Very high	87.8	Confident	36 Å²	36	56.6 Å²	56.6	17%	0.167	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	79.2	-176.6	-165.4	79.7	0	0	0	110.6	R412 S450 S499 F514 T515	R412-H497 PolarHBondContact NH1-CD2 2.96Å; R412-H497 PolarHBondContact NH1-CE1 2.77Å; R412-H497 PolarHBondContact NH1-NE2 2.84Å; S450-H497 PolarHBondContact OG-ND1 3.4Å; H497-S499 PolarHBondContact O-N 2.66Å; H497-F514 CarbonylContact O-C 3.53Å; H497-F514 WeakPolarHBondContact O-CA 3.41Å; H497-T515 WeakPolarHBondContact CB-O 3.13Å; H497-T515 PolarHBondContact CD2-OG1 2.65Å; H497-T515 VanDerWaalsContact CD2-OG1 3.26Å; H497-T515 PolarHBondContact N-O 2.93Å; H497-T515 PolarHBondContact O-N 3.18Å
498	I	95.5	Very high	88.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132.7	173.3	-170.8	170.5	0	0	0	110.5	L398 V410 R412 A452 L481 T496 A512 T513 F514	L398-I498 HydrophobicContact CD1-CB 4.24Å; L398-I498 HydrophobicContact CD1-CD1 4.23Å; L398-I498 HydrophobicContact CD1-CG1 3.76Å; L398-I498 HydrophobicContact CD1-CG2 3.8Å; V410-I498 HydrophobicContact CG1-CD1 3.47Å; V410-I498 VanDerWaalsContact CG1-CD1 3.47Å; R412-I498 HydrophobicContact CB-CG2 3.82Å; R412-I498 VanDerWaalsContact CD-O 3.28Å; R412-I498 WeakPolarHBondContact CD-O 3.43Å; R412-I498 PolarHBondContact NH1-O 2.81Å; A452-I498 HydrophobicContact CB-CB 3.72Å; A452-I498 HydrophobicContact CB-CD1 4.48Å; A452-I498 HydrophobicContact CB-CG2 3.43Å; A452-I498 VanDerWaalsContact CB-CG2 3.43Å; L481-I498 HydrophobicContact CD2-CD1 3.9Å; T496-I498 PolarHBondContact O-N 2.87Å; T496-I498 VanDerWaalsContact O-N 3.11Å; I498-A512 HydrophobicContact CD1-CB 3.9Å; I498-A512 HydrophobicContact CG1-CB 4.45Å; I498-T513 WeakPolarHBondContact CG1-O 3.34Å; I498-F514 HydrophobicContact CB-CD1 3.79Å; I498-F514 HydrophobicContact CB-CE1 3.78Å; I498-F514 HydrophobicContact CB-CG 4.26Å; I498-F514 HydrophobicContact CB-CZ 4.18Å; I498-F514 HydrophobicContact CD1-CE1 4.37Å; I498-F514 HydrophobicContact CD1-CE2 4.25Å; I498-F514 HydrophobicContact CD1-CZ 3.94Å; I498-F514 HydrophobicContact CG1-CD1 4.4Å; I498-F514 HydrophobicContact CG1-CD2 4.46Å; I498-F514 HydrophobicContact CG1-CE1 4.25Å; I498-F514 HydrophobicContact CG1-CE2 4.26Å; I498-F514 HydrophobicContact CG1-CG 4.49Å; I498-F514 HydrophobicContact CG1-CZ 4.14Å
499	S	94.2	Very high	88.8	Confident	17 Å²	17	48.5 Å²	48.5	12%	0.119	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-43	-173.2	53.6	0	0	0	0	113	H497 T513 W611	H497-S499 PolarHBondContact O-N 2.66Å; S499-T513 PolarHBondContact N-O 2.93Å; S499-T513 PolarHBondContact OG-O 3.27Å; S499-T513 PolarHBondContact OG-OG1 3.06Å; S499-W611 VanDerWaalsContact CB-O 3.27Å; S499-W611 WeakPolarHBondContact CB-O 3.27Å; S499-W611 PolarHBondContact OG-O 3.02Å
500	T	95.2	Very high	89.7	Confident	25 Å²	25	41.3 Å²	41.3	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.2	172.4	-174.6	0	0	0	0	112	A512 T513 V612 L614	T500-A512 WeakPolarHBondContact O-CA 3.49Å; T500-T513 WeakPolarHBondContact CG2-OG1 3.11Å; T500-T513 PolarHBondContact O-N 2.96Å; T500-T513 PolarHBondContact O-OG1 3.29Å; T500-V612 WeakPolarHBondContact CB-O 3.39Å; T500-V612 VanDerWaalsContact CG2-O 3.24Å; T500-V612 WeakPolarHBondContact CG2-O 3.37Å; T500-L614 HydrophobicContact CG2-CB 3.59Å
501	A	96.3	Very high	90.9	Very high	8 Å²	8	39.3 Å²	39.3	7%	0.066	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.9	-177.4	0	0	0	0	0	112	L399 V410 L510 Y511 A512	L399-A501 HydrophobicContact CB-CB 4.21Å; L399-A501 HydrophobicContact CD2-CB 4.18Å; V410-A501 HydrophobicContact CB-CB 4.33Å; V410-A501 HydrophobicContact CG1-CB 3.95Å; V410-A501 HydrophobicContact CG2-CB 4.27Å; A501-L510 HydrophobicContact CB-CD1 4.33Å; A501-Y511 CarbonylContact C-O 3.48Å; A501-Y511 VanDerWaalsContact CA-O 3.28Å; A501-Y511 WeakPolarHBondContact CA-O 3.16Å; A501-A512 HydrophobicContact CB-CB 3.92Å
502	Y	96	Very high	91.9	Very high	14 Å²	14	37.8 Å²	37.8	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.5	-178.9	178.8	-83.6	0	0	0	109.7	D504 Y511 A616 S1159	Y502-D504 HydrophobicContact CE1-CB 4.04Å; Y502-Y511 HydrophobicContact CD1-CD2 4.09Å; Y502-Y511 PolarHBondContact N-O 3.09Å; Y502-Y511 PolarHBondContact O-N 2.96Å; Y502-A616 HydrophobicContact CD1-CB 3.83Å; Y502-A616 HydrophobicContact CE1-CB 3.92Å; Y502-A616 WeakPolarHBondContact CE1-O 3.4Å; Y502-A616 PolarHBondContact OH-O 2.8Å; Y502-S1159 WeakPolarHBondContact CE2-OG 3.42Å
503	W	95.5	Very high	92.6	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.5	177.3	170.5	-106.9	0	0	0	110.7	L399 F401 E402 T403 Q508 L509 L510 L531 T1163	L399-W503 HydrophobicContact CD2-CB 3.83Å; F401-W503 HydrophobicContact CB-CB 3.84Å; F401-W503 HydrophobicContact CB-CG 3.76Å; F401-W503 HydrophobicContact CD1-CB 4.11Å; F401-W503 HydrophobicContact CD1-CG 4.34Å; F401-W503 HydrophobicContact CD2-CB 4.13Å; F401-W503 AromaticContact CD2-CD1 3.67Å; F401-W503 AromaticContact CD2-CD2 3.37Å; F401-W503 HydrophobicContact CD2-CD2 3.37Å; F401-W503 AromaticContact CD2-CE2 3.51Å; F401-W503 AromaticContact CD2-CE3 3.91Å; F401-W503 HydrophobicContact CD2-CE3 3.91Å; F401-W503 AromaticContact CD2-CG 3.47Å; F401-W503 HydrophobicContact CD2-CG 3.47Å; F401-W503 VanDerWaalsContact CD2-CG 3.47Å; F401-W503 HydrophobicContact CD2-CZ2 4.14Å; F401-W503 HydrophobicContact CD2-CZ3 4.49Å; F401-W503 AromaticContact CD2-NE1 3.66Å; F401-W503 AromaticContact CE2-CD2 3.5Å; F401-W503 HydrophobicContact CE2-CD2 3.5Å; F401-W503 VanDerWaalsContact CE2-CD2 3.5Å; F401-W503 AromaticContact CE2-CE2 3.74Å; F401-W503 AromaticContact CE2-CE3 3.52Å; F401-W503 HydrophobicContact CE2-CE3 3.52Å; F401-W503 HydrophobicContact CE2-CG 4.06Å; F401-W503 HydrophobicContact CE2-CH2 4.02Å; F401-W503 AromaticContact CE2-CZ2 3.99Å; F401-W503 HydrophobicContact CE2-CZ2 3.99Å; F401-W503 AromaticContact CE2-CZ3 3.79Å; F401-W503 HydrophobicContact CE2-CZ3 3.79Å; F401-W503 HydrophobicContact CG-CB 3.79Å; F401-W503 AromaticContact CG-CD1 3.92Å; F401-W503 AromaticContact CG-CD2 4Å; F401-W503 HydrophobicContact CG-CD2 4Å; F401-W503 AromaticContact CG-CG 3.62Å; F401-W503 HydrophobicContact CG-CG 3.62Å; F401-W503 HydrophobicContact CZ-CD2 4.22Å; F401-W503 AromaticContact CZ-CE3 3.9Å; F401-W503 HydrophobicContact CZ-CE3 3.9Å; F401-W503 HydrophobicContact CZ-CZ3 4.25Å; E402-W503 PolarHBondContact O-NE1 2.74Å; T403-W503 HydrophobicContact CG2-CH2 4.39Å; T403-W503 HydrophobicContact CG2-CZ2 3.95Å; W503-Q508 HydrophobicContact CH2-CB 3.92Å; W503-Q508 WeakPolarHBondContact CH2-O 3.41Å; W503-Q508 HydrophobicContact CZ2-CB 4.17Å; W503-L509 VanDerWaalsContact CE3-C 3.46Å; W503-L510 HydrophobicContact CB-CD1 4.48Å; W503-L510 HydrophobicContact CE3-CB 3.87Å; W503-L510 HydrophobicContact CZ3-CB 4.15Å; W503-L531 HydrophobicContact CH2-CB 4.3Å; W503-L531 HydrophobicContact CH2-CD1 4.18Å; W503-T1163 HydrophobicContact CB-CG2 4.07Å; W503-T1163 HydrophobicContact CG-CG2 4.41Å
504	D	91.3	Very high	93.1	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	105.5	173.6	176.1	9.2	0	0	0	110.1	Y502 N506 T507 Q508 L509 Y511 N618	Y502-D504 HydrophobicContact CE1-CB 4.04Å; D504-N506 PolarHBondContact O-N 2.87Å; D504-N506 WeakPolarHBondContact OD1-CA 3.21Å; D504-N506 WeakPolarHBondContact OD1-CB 3.47Å; D504-N506 PolarHBondContact OD1-N 2.7Å; D504-T507 VanDerWaalsContact CG-OG1 3.25Å; D504-T507 PolarHBondContact OD1-N 3.08Å; D504-T507 WeakPolarHBondContact OD2-CB 3.28Å; D504-T507 WeakPolarHBondContact OD2-CG2 3.12Å; D504-T507 PolarHBondContact OD2-N 3.4Å; D504-T507 PolarHBondContact OD2-OG1 2.87Å; D504-Q508 VanDerWaalsContact O-CA 3.27Å; D504-Q508 WeakPolarHBondContact O-CA 3.24Å; D504-Q508 PolarHBondContact O-N 3.4Å; D504-L509 PolarHBondContact N-O 2.78Å; D504-L509 PolarHBondContact O-N 3.19Å; D504-Y511 HydrophobicContact CB-CE2 3.88Å; D504-N618 PolarHBondContact OD2-ND2 2.95Å
505	N	89.8	Confident	93.4	Very high	52 Å²	52	22.7 Å²	22.7	28%	0.278	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.1	177.9	-166.6	56.3	0	0	0	113.2	Q508	N505-Q508 PolarHBondContact O-NE2 3.42Å; N505-Q508 PolarHBondContact OD1-NE2 3.01Å
506	N	85.5	Confident	93.4	Very high	142 Å²	142	22.7 Å²	22.7	76%	0.759	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-35	-177	-64.7	-15	0	0	0	112	D504	D504-N506 PolarHBondContact O-N 2.87Å; D504-N506 WeakPolarHBondContact OD1-CA 3.21Å; D504-N506 WeakPolarHBondContact OD1-CB 3.47Å; D504-N506 PolarHBondContact OD1-N 2.7Å
507	T	85.7	Confident	93.1	Very high	39 Å²	39	22.1 Å²	22.1	24%	0.239	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-8.2	173.2	63.6	0	0	0	0	114.3	D504 L509 N618	D504-T507 VanDerWaalsContact CG-OG1 3.25Å; D504-T507 PolarHBondContact OD1-N 3.08Å; D504-T507 WeakPolarHBondContact OD2-CB 3.28Å; D504-T507 WeakPolarHBondContact OD2-CG2 3.12Å; D504-T507 PolarHBondContact OD2-N 3.4Å; D504-T507 PolarHBondContact OD2-OG1 2.87Å; T507-L509 VanDerWaalsContact C-N 3.28Å; T507-L509 PolarHBondContact O-N 3.37Å; T507-L509 WeakPolarHBondContact OG1-CB 3.4Å; T507-L509 WeakPolarHBondContact OG1-CD1 3.33Å; T507-L509 VanDerWaalsContact OG1-CG 3.24Å; T507-L509 WeakPolarHBondContact OG1-CG 3.39Å; T507-N618 VanDerWaalsContact CG2-ND2 3.34Å; T507-N618 WeakPolarHBondContact CG2-ND2 3.45Å
508	Q	91.8	Very high	92.3	Very high	54 Å²	54	29.4 Å²	29.4	25%	0.252	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	43	-172.6	-57.7	-76.9	-62.1	0	0	111.7	W503 D504 N505 L531	W503-Q508 HydrophobicContact CH2-CB 3.92Å; W503-Q508 WeakPolarHBondContact CH2-O 3.41Å; W503-Q508 HydrophobicContact CZ2-CB 4.17Å; D504-Q508 VanDerWaalsContact O-CA 3.27Å; D504-Q508 WeakPolarHBondContact O-CA 3.24Å; D504-Q508 PolarHBondContact O-N 3.4Å; N505-Q508 PolarHBondContact O-NE2 3.42Å; N505-Q508 PolarHBondContact OD1-NE2 3.01Å; Q508-L531 HydrophobicContact CB-CB 4.07Å; Q508-L531 HydrophobicContact CB-CD2 4.29Å; Q508-L531 HydrophobicContact CG-CD2 4.46Å; Q508-L531 PolarHBondContact O-N 3.03Å; Q508-L531 VanDerWaalsContact O-N 3.1Å
509	L	93.1	Very high	91.2	Very high	29 Å²	29	32 Å²	32	15%	0.152	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	178.4	-64.1	-178.7	0	0	0	111.4	W503 D504 T507 Y511 I528 Y529	W503-L509 VanDerWaalsContact CE3-C 3.46Å; D504-L509 PolarHBondContact N-O 2.78Å; D504-L509 PolarHBondContact O-N 3.19Å; T507-L509 VanDerWaalsContact C-N 3.28Å; T507-L509 PolarHBondContact O-N 3.37Å; T507-L509 WeakPolarHBondContact OG1-CB 3.4Å; T507-L509 WeakPolarHBondContact OG1-CD1 3.33Å; T507-L509 VanDerWaalsContact OG1-CG 3.24Å; T507-L509 WeakPolarHBondContact OG1-CG 3.39Å; L509-Y511 HydrophobicContact CB-CD2 4.4Å; L509-Y511 HydrophobicContact CB-CE2 3.82Å; L509-I528 HydrophobicContact CB-CG2 4.19Å; L509-I528 HydrophobicContact CD1-CG2 4.14Å; L509-I528 HydrophobicContact CD2-CG2 4.34Å; L509-I528 HydrophobicContact CG-CG2 4.46Å; L509-Y529 WeakPolarHBondContact CA-O 3.4Å
510	L	96.6	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.6	169.1	178.9	65.1	0	0	0	108.8	L399 F401 V410 L481 A501 W503 I528 Y529	L399-L510 HydrophobicContact CD2-CD1 3.92Å; F401-L510 HydrophobicContact CE1-CD1 3.98Å; F401-L510 HydrophobicContact CE1-CD2 4.37Å; F401-L510 HydrophobicContact CZ-CD1 4.45Å; F401-L510 HydrophobicContact CZ-CD2 4.48Å; V410-L510 HydrophobicContact CG2-CD1 4.06Å; V410-L510 HydrophobicContact CG2-CD2 4.14Å; L481-L510 HydrophobicContact CD2-CD2 4.37Å; A501-L510 HydrophobicContact CB-CD1 4.33Å; W503-L510 HydrophobicContact CB-CD1 4.48Å; W503-L510 HydrophobicContact CE3-CB 3.87Å; W503-L510 HydrophobicContact CZ3-CB 4.15Å; L510-I528 CarbonylContact O-C 3.46Å; L510-I528 WeakPolarHBondContact O-CA 3.11Å; L510-Y529 HydrophobicContact CD2-CD2 4.42Å; L510-Y529 HydrophobicContact CG-CD2 4.42Å; L510-Y529 PolarHBondContact N-O 2.99Å; L510-Y529 WeakPolarHBondContact O-CD2 3.13Å; L510-Y529 PolarHBondContact O-N 3.4Å
511	Y	96.7	Very high	89.9	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135	170.1	-58.7	-105.2	0	0	0	108	A501 Y502 D504 L509 I528 A616 S635 I637	A501-Y511 CarbonylContact C-O 3.48Å; A501-Y511 VanDerWaalsContact CA-O 3.28Å; A501-Y511 WeakPolarHBondContact CA-O 3.16Å; Y502-Y511 HydrophobicContact CD1-CD2 4.09Å; Y502-Y511 PolarHBondContact N-O 3.09Å; Y502-Y511 PolarHBondContact O-N 2.96Å; D504-Y511 HydrophobicContact CB-CE2 3.88Å; L509-Y511 HydrophobicContact CB-CD2 4.4Å; L509-Y511 HydrophobicContact CB-CE2 3.82Å; Y511-I528 HydrophobicContact CD1-CD1 3.71Å; Y511-I528 HydrophobicContact CD1-CG1 3.68Å; Y511-I528 HydrophobicContact CD1-CG2 4.39Å; Y511-I528 HydrophobicContact CE1-CD1 3.5Å; Y511-I528 VanDerWaalsContact CE1-CD1 3.5Å; Y511-I528 HydrophobicContact CE1-CG1 3.98Å; Y511-I528 HydrophobicContact CE1-CG2 4.35Å; Y511-I528 HydrophobicContact CG-CG1 4.47Å; Y511-A616 HydrophobicContact CD1-CB 4.47Å; Y511-A616 HydrophobicContact CD2-CB 4.3Å; Y511-A616 HydrophobicContact CE1-CB 4.4Å; Y511-A616 HydrophobicContact CE2-CB 4.24Å; Y511-A616 HydrophobicContact CG-CB 4.43Å; Y511-S635 PolarHBondContact OH-OG 2.77Å; Y511-I637 HydrophobicContact CD1-CD1 3.82Å; Y511-I637 HydrophobicContact CD1-CG1 4.42Å; Y511-I637 HydrophobicContact CE1-CD1 3.66Å; Y511-I637 HydrophobicContact CE1-CG1 4.14Å
512	A	97.6	Very high	89.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.8	173.6	0	0	0	0	0	112.2	I498 T500 A501 F514 C527 Y529	I498-A512 HydrophobicContact CD1-CB 3.9Å; I498-A512 HydrophobicContact CG1-CB 4.45Å; T500-A512 WeakPolarHBondContact O-CA 3.49Å; A501-A512 HydrophobicContact CB-CB 3.92Å; A512-F514 HydrophobicContact CB-CD2 4.48Å; A512-F514 HydrophobicContact CB-CE2 3.77Å; A512-C527 PolarHBondContact N-O 2.82Å; A512-C527 PolarHBondContact O-N 3.09Å; A512-Y529 HydrophobicContact CB-CE2 4.23Å
513	T	97.5	Very high	89.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.1	172.7	53.3	0	0	0	0	111	I498 S499 T500 A525 L526 W611 L614 I639	I498-T513 WeakPolarHBondContact CG1-O 3.34Å; S499-T513 PolarHBondContact N-O 2.93Å; S499-T513 PolarHBondContact OG-O 3.27Å; S499-T513 PolarHBondContact OG-OG1 3.06Å; T500-T513 WeakPolarHBondContact CG2-OG1 3.11Å; T500-T513 PolarHBondContact O-N 2.96Å; T500-T513 PolarHBondContact O-OG1 3.29Å; T513-A525 CarbonylContact C-O 3.57Å; T513-A525 VanDerWaalsContact CA-O 3.25Å; T513-A525 WeakPolarHBondContact CA-O 3.45Å; T513-L526 HydrophobicContact CG2-CB 4.46Å; T513-L526 HydrophobicContact CG2-CD1 3.79Å; T513-W611 HydrophobicContact CG2-CB 4.25Å; T513-W611 HydrophobicContact CG2-CE3 3.83Å; T513-L614 HydrophobicContact CG2-CD1 4.36Å; T513-L614 HydrophobicContact CG2-CD2 4.39Å; T513-I639 HydrophobicContact CG2-CD1 4.48Å; T513-I639 HydrophobicContact CG2-CG2 4.29Å
514	F	96.5	Very high	89.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.3	-178.4	-64	-117.7	0	0	0	108.6	A452 L481 C483 Y495 H497 I498 A512 S524 A525 C527 Y529	A452-F514 HydrophobicContact CB-CD1 4.42Å; A452-F514 HydrophobicContact CB-CE1 3.59Å; A452-F514 HydrophobicContact CB-CZ 4.31Å; L481-F514 HydrophobicContact CD2-CZ 4.34Å; L481-F514 HydrophobicContact CG-CZ 4.17Å; L481-F514 WeakPolarHBondContact O-CE1 3.21Å; C483-F514 HydrophobicContact CB-CB 4.41Å; C483-F514 HydrophobicContact CB-CD1 3.85Å; C483-F514 HydrophobicContact CB-CD2 3.54Å; C483-F514 HydrophobicContact CB-CE1 3.89Å; C483-F514 HydrophobicContact CB-CE2 3.64Å; C483-F514 HydrophobicContact CB-CG 3.69Å; C483-F514 HydrophobicContact CB-CZ 3.82Å; Y495-F514 HydrophobicContact CG-CB 4.48Å; Y495-F514 WeakPolarHBondContact O-CD1 3.32Å; H497-F514 CarbonylContact O-C 3.53Å; H497-F514 WeakPolarHBondContact O-CA 3.41Å; I498-F514 HydrophobicContact CB-CD1 3.79Å; I498-F514 HydrophobicContact CB-CE1 3.78Å; I498-F514 HydrophobicContact CB-CG 4.26Å; I498-F514 HydrophobicContact CB-CZ 4.18Å; I498-F514 HydrophobicContact CD1-CE1 4.37Å; I498-F514 HydrophobicContact CD1-CE2 4.25Å; I498-F514 HydrophobicContact CD1-CZ 3.94Å; I498-F514 HydrophobicContact CG1-CD1 4.4Å; I498-F514 HydrophobicContact CG1-CD2 4.46Å; I498-F514 HydrophobicContact CG1-CE1 4.25Å; I498-F514 HydrophobicContact CG1-CE2 4.26Å; I498-F514 HydrophobicContact CG1-CG 4.49Å; I498-F514 HydrophobicContact CG1-CZ 4.14Å; A512-F514 HydrophobicContact CB-CD2 4.48Å; A512-F514 HydrophobicContact CB-CE2 3.77Å; F514-S524 CarbonylContact O-C 3.59Å; F514-S524 VanDerWaalsContact O-CA 3.23Å; F514-S524 WeakPolarHBondContact O-CA 3.41Å; F514-A525 PolarHBondContact N-O 2.91Å; F514-A525 PolarHBondContact O-N 2.85Å; F514-C527 HydrophobicContact CE2-CB 4.27Å; F514-Y529 HydrophobicContact CE2-CE2 4.31Å; F514-Y529 WeakPolarHBondContact CE2-OH 3.38Å; F514-Y529 WeakPolarHBondContact CZ-OH 3.25Å
515	T	94.4	Very high	89.4	Confident	9 Å²	9	36.8 Å²	36.8	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	171.7	168.9	74.5	0	0	0	0	111.1	H497 G523 N610	H497-T515 WeakPolarHBondContact CB-O 3.13Å; H497-T515 PolarHBondContact CD2-OG1 2.65Å; H497-T515 VanDerWaalsContact CD2-OG1 3.26Å; H497-T515 PolarHBondContact N-O 2.93Å; H497-T515 PolarHBondContact O-N 3.18Å; T515-G523 CarbonylContact C-O 3.55Å; T515-G523 VanDerWaalsContact CA-O 3.22Å; T515-G523 WeakPolarHBondContact CA-O 3.4Å; T515-N610 HydrophobicContact CG2-CB 4.32Å; T515-N610 WeakPolarHBondContact CG2-OD1 3.37Å
516	T	90	Very high	89.8	Confident	16 Å²	16	34.3 Å²	34.3	10%	0.098	19%	0.189	C	C	.	.			trans	-66.4	155.1	164.7	51.7	0	0	0	0	111.8	F493 Y495 P521 G523	F493-T516 HydrophobicContact CE1-CG2 3.97Å; F493-T516 HydrophobicContact CZ-CG2 3.95Å; Y495-T516 HydrophobicContact CD1-CG2 4.19Å; Y495-T516 HydrophobicContact CE1-CG2 3.86Å; T516-P521 WeakPolarHBondContact CB-O 3.34Å; T516-P521 VanDerWaalsContact CG2-O 3.31Å; T516-P521 WeakPolarHBondContact CG2-O 3.45Å; T516-P521 PolarHBondContact OG1-O 2.82Å; T516-G523 PolarHBondContact N-O 2.73Å; T516-G523 PolarHBondContact OG1-N 3.47Å
517	E	83.1	Confident	90.3	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.061	15%	0.153	C	C	.	.			trans	-66.6	157.5	168.9	-67.7	-71.9	146.2	0	0	111.3	L448 T449 S450 T496 S519 A520	L448-E517 HydrophobicContact CD2-CG 4.19Å; T449-E517 WeakPolarHBondContact CA-OE2 3.48Å; T449-E517 VanDerWaalsContact CB-OE2 3.32Å; T449-E517 WeakPolarHBondContact CB-OE2 3.45Å; T449-E517 PolarHBondContact N-OE2 3.28Å; T449-E517 PolarHBondContact OG1-OE2 2.79Å; S450-E517 PolarHBondContact OG-OE1 2.85Å; T496-E517 VanDerWaalsContact OG1-CG 3.25Å; T496-E517 WeakPolarHBondContact OG1-CG 3.48Å; T496-E517 PolarHBondContact OG1-OE1 2.81Å; E517-S519 PolarHBondContact O-N 3.42Å; E517-A520 PolarHBondContact O-N 3.35Å
518	K	76.6	Confident	90.7	Very high	189 Å²	189	26.3 Å²	26.3	82%	0.822	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.4	-176.3	-65	-180	179.3	176.9	0	115.4
519	S	72.4	Confident	90.9	Very high	54 Å²	54	23.8 Å²	23.8	38%	0.378	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.6	179.1	51.5	0	0	0	0	113.8	E517	E517-S519 PolarHBondContact O-N 3.42Å
520	A	77.2	Confident	90.9	Very high	23 Å²	23	23.2 Å²	23.2	19%	0.19	13%	0.131	C	C	.	.	S	Bend	trans	-101.5	159.8	179.3	0	0	0	0	0	111.5	E517	E517-A520 PolarHBondContact O-N 3.35Å
521	P	83.6	Confident	90.8	Very high	85 Å²	85	24.3 Å²	24.3	55%	0.552	14%	0.137	S	C	*	.	P	Polyproline II helix	trans	-57.3	142.7	171.4	-21	33.2	0	0	0	110.9	T516 G523	T516-P521 WeakPolarHBondContact CB-O 3.34Å; T516-P521 VanDerWaalsContact CG2-O 3.31Å; T516-P521 WeakPolarHBondContact CG2-O 3.45Å; T516-P521 PolarHBondContact OG1-O 2.82Å; P521-G523 PolarHBondContact O-N 3.03Å
522	V	87.6	Confident	90.7	Very high	65 Å²	65	30.2 Å²	30.2	39%	0.394	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-60.4	129.9	-178	179.9	0	0	0	0	111	G608 N610	V522-G608 VanDerWaalsContact CG1-O 3.32Å; V522-G608 WeakPolarHBondContact CG1-O 3.24Å; V522-G608 PolarHBondContact O-N 3.32Å; V522-N610 WeakPolarHBondContact CG1-OD1 3.34Å
523	G	90.7	Very high	90.6	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	164.1	167	0	0	0	0	0	111.8	T515 T516 P521 Q606 D609	T515-G523 CarbonylContact C-O 3.55Å; T515-G523 VanDerWaalsContact CA-O 3.22Å; T515-G523 WeakPolarHBondContact CA-O 3.4Å; T516-G523 PolarHBondContact N-O 2.73Å; T516-G523 PolarHBondContact OG1-N 3.47Å; P521-G523 PolarHBondContact O-N 3.03Å; G523-Q606 CarbonylContact C-O 3.53Å; G523-Q606 WeakPolarHBondContact CA-O 3.46Å; G523-D609 CarbonylContact C-O 3.39Å
524	S	96.2	Very high	90.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.6	-178.5	-61.5	0	0	0	0	112	F514 S605 Q606 D609 N610 W611	F514-S524 CarbonylContact O-C 3.59Å; F514-S524 VanDerWaalsContact O-CA 3.23Å; F514-S524 WeakPolarHBondContact O-CA 3.41Å; S524-S605 CarbonylContact O-C 3.56Å; S524-S605 VanDerWaalsContact O-CA 3.27Å; S524-S605 WeakPolarHBondContact O-CA 3.27Å; S524-Q606 PolarHBondContact N-O 2.88Å; S524-Q606 PolarHBondContact O-N 3.15Å; S524-D609 PolarHBondContact OG-O 3.23Å; S524-N610 WeakPolarHBondContact OG-CA 3.08Å; S524-W611 VanDerWaalsContact CB-CG 3.49Å; S524-W611 PolarHBondContact OG-N 3.18Å
525	A	95.9	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.7	171.4	0	0	0	0	0	111.7	Y495 T513 F514 A602 L604	Y495-A525 HydrophobicContact CD1-CB 3.93Å; Y495-A525 HydrophobicContact CD2-CB 3.52Å; Y495-A525 HydrophobicContact CE1-CB 4Å; Y495-A525 HydrophobicContact CE2-CB 3.6Å; Y495-A525 HydrophobicContact CG-CB 3.7Å; T513-A525 CarbonylContact C-O 3.57Å; T513-A525 VanDerWaalsContact CA-O 3.25Å; T513-A525 WeakPolarHBondContact CA-O 3.45Å; F514-A525 PolarHBondContact N-O 2.91Å; F514-A525 PolarHBondContact O-N 2.85Å; A525-A602 HydrophobicContact CB-CB 4.14Å; A525-L604 CarbonylContact C-O 3.52Å; A525-L604 WeakPolarHBondContact CA-O 3.29Å; A525-L604 WeakPolarHBondContact CB-O 3.46Å
526	L	96.8	Very high	90.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127	174.8	176.1	71.8	0	0	0	109.5	T513 L603 L604 W611 L614 I637 I639	T513-L526 HydrophobicContact CG2-CB 4.46Å; T513-L526 HydrophobicContact CG2-CD1 3.79Å; L526-L603 HydrophobicContact CD2-CD2 4.15Å; L526-L603 PolarHBondContact O-N 3.11Å; L526-L604 HydrophobicContact CB-CB 4.24Å; L526-L604 HydrophobicContact CD2-CD1 4.3Å; L526-L604 PolarHBondContact N-O 3.27Å; L526-W611 HydrophobicContact CB-CZ3 3.92Å; L526-L614 HydrophobicContact CD1-CD1 4.29Å; L526-I637 HydrophobicContact CD2-CD1 3.83Å; L526-I639 HydrophobicContact CD2-CD1 4.17Å
527	C	96.2	Very high	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.5	168.6	-80.9	0	0	0	0	110.9	C483 A512 F514 Y529 P597 A602	C483-C527 WeakPolarHBondContact CA-SG 3.38Å; C483-C527 HydrophobicContact CB-CB 3.97Å; C483-C527 WeakPolarHBondContact CB-SG 3.49Å; C483-C527 WeakPolarHBondContact SG-CB 3.24Å; C483-C527 CovalentContact SG-SG 2.04Å; C483-C527 PolarHBondContact SG-SG 3.16Å; A512-C527 PolarHBondContact N-O 2.82Å; A512-C527 PolarHBondContact O-N 3.09Å; F514-C527 HydrophobicContact CE2-CB 4.27Å; C527-Y529 HydrophobicContact CB-CD2 4.43Å; C527-Y529 HydrophobicContact CB-CE1 4.41Å; C527-Y529 HydrophobicContact CB-CE2 3.51Å; C527-Y529 WeakPolarHBondContact CB-OH 3.33Å; C527-P597 HydrophobicContact CB-CB 4.09Å; C527-A602 VanDerWaalsContact SG-CA 3.54Å
528	I	95.1	Very high	91.3	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133	173	-53.9	-179.5	0	0	0	107.6	L509 L510 Y511 P597 L598 L603 I637	L509-I528 HydrophobicContact CB-CG2 4.19Å; L509-I528 HydrophobicContact CD1-CG2 4.14Å; L509-I528 HydrophobicContact CD2-CG2 4.34Å; L509-I528 HydrophobicContact CG-CG2 4.46Å; L510-I528 CarbonylContact O-C 3.46Å; L510-I528 WeakPolarHBondContact O-CA 3.11Å; Y511-I528 HydrophobicContact CD1-CD1 3.71Å; Y511-I528 HydrophobicContact CD1-CG1 3.68Å; Y511-I528 HydrophobicContact CD1-CG2 4.39Å; Y511-I528 HydrophobicContact CE1-CD1 3.5Å; Y511-I528 VanDerWaalsContact CE1-CD1 3.5Å; Y511-I528 HydrophobicContact CE1-CG1 3.98Å; Y511-I528 HydrophobicContact CE1-CG2 4.35Å; Y511-I528 HydrophobicContact CG-CG1 4.47Å; I528-P597 CarbonylContact O-C 3.56Å; I528-P597 WeakPolarHBondContact O-CA 3.44Å; I528-P597 WeakPolarHBondContact O-CB 3.19Å; I528-L598 PolarHBondContact O-N 3.08Å; I528-L603 HydrophobicContact CD1-CD2 3.69Å; I528-L603 HydrophobicContact CG1-CD2 4.37Å; I528-I637 HydrophobicContact CD1-CD1 4.43Å
529	Y	95.3	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137	-178.4	-48.5	-98.5	0	0	0	108.8	L481 I482 L509 L510 A512 F514 C527 V595 K596 P597	L481-Y529 HydrophobicContact CD1-CD1 3.69Å; L481-Y529 HydrophobicContact CD1-CD2 4.06Å; L481-Y529 HydrophobicContact CD1-CE1 3.48Å; L481-Y529 VanDerWaalsContact CD1-CE1 3.48Å; L481-Y529 HydrophobicContact CD1-CE2 3.87Å; L481-Y529 HydrophobicContact CD1-CG 3.99Å; L481-Y529 HydrophobicContact CG-CE1 4.18Å; L481-Y529 HydrophobicContact CG-CE2 4.2Å; I482-Y529 PolarHBondContact O-OH 3.04Å; I482-Y529 VanDerWaalsContact O-OH 3.07Å; L509-Y529 WeakPolarHBondContact CA-O 3.4Å; L510-Y529 HydrophobicContact CD2-CD2 4.42Å; L510-Y529 HydrophobicContact CG-CD2 4.42Å; L510-Y529 PolarHBondContact N-O 2.99Å; L510-Y529 WeakPolarHBondContact O-CD2 3.13Å; L510-Y529 PolarHBondContact O-N 3.4Å; A512-Y529 HydrophobicContact CB-CE2 4.23Å; F514-Y529 HydrophobicContact CE2-CE2 4.31Å; F514-Y529 WeakPolarHBondContact CE2-OH 3.38Å; F514-Y529 WeakPolarHBondContact CZ-OH 3.25Å; C527-Y529 HydrophobicContact CB-CD2 4.43Å; C527-Y529 HydrophobicContact CB-CE1 4.41Å; C527-Y529 HydrophobicContact CB-CE2 3.51Å; C527-Y529 WeakPolarHBondContact CB-OH 3.33Å; Y529-V595 HydrophobicContact CD1-CG1 3.85Å; Y529-V595 HydrophobicContact CG-CG1 4.41Å; Y529-K596 VanDerWaalsContact CD1-C 3.43Å; Y529-K596 WeakPolarHBondContact CD1-O 3.38Å; Y529-P597 HydrophobicContact CD1-CB 4.25Å; Y529-P597 HydrophobicContact CE1-CB 4.06Å
530	S	93.9	Very high	93.2	Very high	17 Å²	17	28.2 Å²	28.2	12%	0.119	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.1	175.5	63.9	0	0	0	0	111.6	N532 E533 L534	S530-N532 PolarHBondContact O-N 3.33Å; S530-E533 PolarHBondContact O-N 2.86Å; S530-L534 WeakPolarHBondContact O-CD1 3.11Å; S530-L534 PolarHBondContact O-N 3.32Å; S530-L534 VanDerWaalsContact O-N 3.16Å
531	L	94.6	Very high	94	Very high	24 Å²	24	29 Å²	29	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-49.1	-31	174.3	-175.1	63.8	0	0	0	113.5	T403 W503 Q508 L534 K535	T403-L531 HydrophobicContact CG2-CD1 3.73Å; W503-L531 HydrophobicContact CH2-CB 4.3Å; W503-L531 HydrophobicContact CH2-CD1 4.18Å; Q508-L531 HydrophobicContact CB-CB 4.07Å; Q508-L531 HydrophobicContact CB-CD2 4.29Å; Q508-L531 HydrophobicContact CG-CD2 4.46Å; Q508-L531 PolarHBondContact O-N 3.03Å; Q508-L531 VanDerWaalsContact O-N 3.1Å; L531-L534 PolarHBondContact O-N 2.84Å; L531-K535 HydrophobicContact CD1-CD 4.26Å; L531-K535 HydrophobicContact CD1-CG 4.26Å; L531-K535 HydrophobicContact CD2-CD 4.45Å; L531-K535 HydrophobicContact CG-CD 4.04Å; L531-K535 HydrophobicContact CG-CG 4.36Å; L531-K535 WeakPolarHBondContact O-CB 3.41Å; L531-K535 WeakPolarHBondContact O-CG 3.44Å; L531-K535 PolarHBondContact O-N 3.04Å
532	N	94	Very high	94.4	Very high	125 Å²	125	25.1 Å²	25.1	67%	0.668	15%	0.147	S	C	*	.	H	α-helix	trans	-67.3	-41	177.5	-69.3	-7.3	0	0	0	112.5	S530 A536	S530-N532 PolarHBondContact O-N 3.33Å; N532-A536 WeakPolarHBondContact O-CB 3.48Å; N532-A536 PolarHBondContact O-N 2.92Å
533	E	94.2	Very high	94.4	Very high	62 Å²	62	23.2 Å²	23.2	29%	0.29	14%	0.135	S	C	.	.	H	α-helix	trans	-69.1	-37.3	174.5	-68.4	-65.8	149.7	0	0	111.4	S530 A536 S537	S530-E533 PolarHBondContact O-N 2.86Å; E533-A536 PolarHBondContact O-N 3.1Å; E533-S537 PolarHBondContact O-N 3.06Å; E533-S537 VanDerWaalsContact O-N 3.08Å
534	L	95.6	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-55.7	173.1	-83.6	69.1	0	0	0	110.4	F401 L454 S530 L531 A536 S537 F538 V595	F401-L534 HydrophobicContact CE2-CD2 4.4Å; F401-L534 HydrophobicContact CZ-CD2 3.85Å; L454-L534 HydrophobicContact CD2-CB 4.38Å; L454-L534 HydrophobicContact CD2-CD2 3.59Å; L454-L534 HydrophobicContact CD2-CG 3.52Å; S530-L534 WeakPolarHBondContact O-CD1 3.11Å; S530-L534 PolarHBondContact O-N 3.32Å; S530-L534 VanDerWaalsContact O-N 3.16Å; L531-L534 PolarHBondContact O-N 2.84Å; L534-A536 VanDerWaalsContact C-N 3.35Å; L534-A536 PolarHBondContact O-N 3.26Å; L534-S537 WeakPolarHBondContact O-CB 3.26Å; L534-S537 PolarHBondContact O-N 3.02Å; L534-F538 VanDerWaalsContact O-CD2 3.31Å; L534-F538 WeakPolarHBondContact O-CD2 3.42Å; L534-F538 PolarHBondContact O-N 2.82Å; L534-F538 VanDerWaalsContact O-N 3.14Å; L534-V595 HydrophobicContact CD1-CG1 3.68Å; L534-V595 HydrophobicContact CG-CG1 4.05Å
535	K	95.4	Very high	92.3	Very high	51 Å²	51	31 Å²	31	22%	0.222	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-36.7	178.9	-74.2	-178.3	172.3	177.3	0	112.2	E406 L531 S537 F538 N539	E406-K535 WeakPolarHBondContact OE2-CE 3.21Å; L531-K535 HydrophobicContact CD1-CD 4.26Å; L531-K535 HydrophobicContact CD1-CG 4.26Å; L531-K535 HydrophobicContact CD2-CD 4.45Å; L531-K535 HydrophobicContact CG-CD 4.04Å; L531-K535 HydrophobicContact CG-CG 4.36Å; L531-K535 WeakPolarHBondContact O-CB 3.41Å; L531-K535 WeakPolarHBondContact O-CG 3.44Å; L531-K535 PolarHBondContact O-N 3.04Å; K535-S537 VanDerWaalsContact C-N 3.34Å; K535-S537 PolarHBondContact O-N 2.92Å; K535-F538 PolarHBondContact O-N 2.85Å; K535-N539 WeakPolarHBondContact O-CB 3.48Å; K535-N539 PolarHBondContact O-N 3.11Å; K535-N539 PolarHBondContact O-ND2 3.15Å
536	A	94.5	Very high	90.4	Very high	51 Å²	51	37.8 Å²	37.8	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-39.7	176.2	0	0	0	0	0	112.6	N532 E533 L534 G540	N532-A536 WeakPolarHBondContact O-CB 3.48Å; N532-A536 PolarHBondContact O-N 2.92Å; E533-A536 PolarHBondContact O-N 3.1Å; L534-A536 VanDerWaalsContact C-N 3.35Å; L534-A536 PolarHBondContact O-N 3.26Å; A536-G540 WeakPolarHBondContact O-CA 3.47Å; A536-G540 PolarHBondContact O-N 2.79Å
537	S	95.4	Very high	88.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-51.5	172.4	163.2	0	0	0	0	112.3	A479 E533 L534 K535 N539 G540 L593	A479-S537 WeakPolarHBondContact CB-OG 3.34Å; E533-S537 PolarHBondContact O-N 3.06Å; E533-S537 VanDerWaalsContact O-N 3.08Å; L534-S537 WeakPolarHBondContact O-CB 3.26Å; L534-S537 PolarHBondContact O-N 3.02Å; K535-S537 VanDerWaalsContact C-N 3.34Å; K535-S537 PolarHBondContact O-N 2.92Å; S537-N539 PolarHBondContact O-N 2.71Å; S537-G540 PolarHBondContact O-N 2.8Å; S537-L593 PolarHBondContact OG-O 2.86Å
538	F	96.2	Very high	85.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-25.8	-176.6	-77.7	-71.8	0	0	0	115.4	Y408 L454 R456 A477 A479 L534 K535 N559 R591	Y408-F538 HydrophobicContact CD1-CE2 4.22Å; Y408-F538 AromaticContact CE1-CD2 3.75Å; Y408-F538 HydrophobicContact CE1-CD2 3.75Å; Y408-F538 AromaticContact CE1-CE2 3.56Å; Y408-F538 HydrophobicContact CE1-CE2 3.56Å; Y408-F538 HydrophobicContact CE1-CZ 4.38Å; L454-F538 HydrophobicContact CB-CE2 4.44Å; L454-F538 HydrophobicContact CB-CZ 4.46Å; L454-F538 HydrophobicContact CD2-CE2 3.86Å; L454-F538 HydrophobicContact CG-CE2 3.98Å; L454-F538 HydrophobicContact CG-CZ 4.26Å; L454-F538 WeakPolarHBondContact O-CZ 3.32Å; R456-F538 HydrophobicContact CB-CD1 3.88Å; R456-F538 HydrophobicContact CB-CD2 4.27Å; R456-F538 HydrophobicContact CB-CE1 3.61Å; R456-F538 HydrophobicContact CB-CE2 4.04Å; R456-F538 HydrophobicContact CB-CG 4.21Å; R456-F538 HydrophobicContact CB-CZ 3.69Å; A477-F538 HydrophobicContact CB-CD1 3.82Å; A477-F538 HydrophobicContact CB-CE1 3.78Å; A479-F538 HydrophobicContact CB-CE1 4.41Å; A479-F538 HydrophobicContact CB-CE2 4.49Å; A479-F538 HydrophobicContact CB-CZ 4.12Å; L534-F538 VanDerWaalsContact O-CD2 3.31Å; L534-F538 WeakPolarHBondContact O-CD2 3.42Å; L534-F538 PolarHBondContact O-N 2.82Å; L534-F538 VanDerWaalsContact O-N 3.14Å; K535-F538 PolarHBondContact O-N 2.85Å; F538-N559 PolarHBondContact O-ND2 2.95Å; F538-R591 HydrophobicContact CD1-CG 3.89Å; F538-R591 HydrophobicContact CE1-CG 4.29Å; F538-R591 PolarHBondContact O-NE 2.91Å
539	N	95.1	Very high	83.2	Confident	58 Å²	58	54 Å²	54	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-90.5	-15.8	176.6	-62.4	-6.1	0	0	0	111.9	K535 S537 N559 S562	K535-N539 WeakPolarHBondContact O-CB 3.48Å; K535-N539 PolarHBondContact O-N 3.11Å; K535-N539 PolarHBondContact O-ND2 3.15Å; S537-N539 PolarHBondContact O-N 2.71Å; N539-N559 PolarHBondContact O-ND2 3.27Å; N539-S562 WeakPolarHBondContact O-CB 3.44Å; N539-S562 PolarHBondContact OD1-O 2.72Å
540	G	93.5	Very high	80.7	Confident	14 Å²	14	61.1 Å²	61.1	14%	0.144	32%	0.316	C	S	.	.	S	Bend	trans	-73.6	-174.2	175.9	0	0	0	0	0	114.5	A536 S537 N559	A536-G540 WeakPolarHBondContact O-CA 3.47Å; A536-G540 PolarHBondContact O-N 2.79Å; S537-G540 PolarHBondContact O-N 2.8Å; G540-N559 VanDerWaalsContact O-CB 3.22Å; G540-N559 WeakPolarHBondContact O-CB 3.39Å; G540-N559 PolarHBondContact O-ND2 3.4Å
541	P	94.4	Very high	78.3	Confident	41 Å²	41	67.9 Å²	67.9	27%	0.266	35%	0.35	S	S	.	.			trans	-60.5	158.1	-173.7	-24.7	34.7	0	0	0	115.4	P556 V557 Y592	P541-P556 HydrophobicContact CB-CB 3.83Å; P541-V557 CarbonylContact C-O 3.5Å; P541-V557 WeakPolarHBondContact CA-O 3.22Å; P541-V557 WeakPolarHBondContact CB-O 3.43Å; P541-Y592 WeakPolarHBondContact O-CB 3.33Å; P541-Y592 PolarHBondContact O-N 2.95Å
542	L	92.7	Very high	76.2	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-105.6	158.2	-173.2	-50.2	178.1	0	0	0	111.4	V557 N559 L584 F588 R591	L542-V557 HydrophobicContact CB-CB 4.29Å; L542-V557 PolarHBondContact N-O 2.7Å; L542-V557 PolarHBondContact O-N 2.88Å; L542-N559 HydrophobicContact CD1-CB 4.3Å; L542-N559 HydrophobicContact CD2-CB 4.05Å; L542-N559 HydrophobicContact CG-CB 3.93Å; L542-L584 HydrophobicContact CD1-CD1 3.87Å; L542-F588 HydrophobicContact CB-CB 4.03Å; L542-F588 HydrophobicContact CB-CD1 3.57Å; L542-F588 HydrophobicContact CB-CE1 4.25Å; L542-F588 HydrophobicContact CB-CG 3.97Å; L542-F588 HydrophobicContact CD1-CB 3.9Å; L542-F588 HydrophobicContact CD1-CD1 4.04Å; L542-F588 HydrophobicContact CD1-CD2 4.01Å; L542-F588 HydrophobicContact CD1-CG 3.73Å; L542-F588 HydrophobicContact CD2-CB 4.42Å; L542-F588 HydrophobicContact CG-CB 4.34Å; L542-F588 HydrophobicContact CG-CD1 4.44Å; L542-F588 HydrophobicContact CG-CG 4.42Å; L542-R591 VanDerWaalsContact CD2-CZ 3.5Å
543	V	87.1	Confident	74.3	Confident	24 Å²	24	72.4 Å²	72.4	15%	0.145	37%	0.369	C	S	.	.			trans	-113.8	132	173.8	-175.1	0	0	0	0	110.2	F588 Y590 Y592	V543-F588 WeakPolarHBondContact O-CD1 3.31Å; V543-Y590 PolarHBondContact N-O 2.95Å; V543-Y590 VanDerWaalsContact N-O 3.17Å; V543-Y592 HydrophobicContact CG2-CD2 4.15Å; V543-Y592 HydrophobicContact CG2-CG 4.49Å
544	R	76.2	Confident	73	Confident	116 Å²	116	72.1 Å²	72.1	44%	0.438	37%	0.374	S	S	.	.			trans	-74.4	130	173.7	-68.7	173	-177.4	150.9	6.9	110.5	E547 V557 F588	R544-E547 WeakPolarHBondContact CD-OE1 3.47Å; R544-E547 IonicContact CZ-OE1 2.72Å; R544-E547 IonicContact NE-OE1 2.72Å; R544-E547 IonicContact NH1-OE1 3.74Å; R544-E547 PolarHBondContact NH1-OE1 3.48Å; R544-V557 HydrophobicContact CG-CG2 3.8Å; R544-F588 HydrophobicContact CG-CE1 3.78Å
545	T	66.2	Low	71.9	Confident	50 Å²	50	75.3 Å²	75.3	31%	0.307	40%	0.396	S	S	.	.	S	Bend	trans	-79.5	-17.9	178.4	47.1	0	0	0	0	114.7	T389 P589 Y590	T389-T545 HydrophobicContact CG2-CG2 3.81Å; T545-P589 HydrophobicContact CG2-CG 3.83Å; T545-Y590 HydrophobicContact CG2-CD2 4.09Å; T545-Y590 HydrophobicContact CG2-CE2 4.44Å
546	N	55.3	Low	71.5	Confident	143 Å²	143	75.9 Å²	75.9	77%	0.765	41%	0.405	S	S	*	.			trans	-103.3	-0.8	-162.7	-63.4	9.8	0	0	0	114.2	K548	N546-K548 PolarHBondContact O-N 2.72Å; N546-K548 VanDerWaalsContact O-N 3.15Å
547	E	49.3	Very low	71.2	Confident	65 Å²	65	74.6 Å²	74.6	30%	0.304	39%	0.391	S	S	.	.			trans	-82.8	91.9	179.7	-75.7	176	-173.4	0	0	110.3	R544 Q549	R544-E547 WeakPolarHBondContact CD-OE1 3.47Å; R544-E547 IonicContact CZ-OE1 2.72Å; R544-E547 IonicContact NE-OE1 2.72Å; R544-E547 IonicContact NH1-OE1 3.74Å; R544-E547 PolarHBondContact NH1-OE1 3.48Å; E547-Q549 HydrophobicContact CB-CG 4.13Å; E547-Q549 PolarHBondContact O-N 3.33Å; E547-Q549 PolarHBondContact OE2-NE2 2.73Å
548	K	46.8	Very low	71	Confident	211 Å²	211	79.6 Å²	79.6	92%	0.917	42%	0.424	S	S	*	.			trans	-66.6	70.2	159	-73.8	-170.9	177.1	-174.7	0	109.5	N546	N546-K548 PolarHBondContact O-N 2.72Å; N546-K548 VanDerWaalsContact O-N 3.15Å
549	Q	42.2	Very low	70.8	Confident	78 Å²	78	80.7 Å²	80.7	36%	0.364	43%	0.43	S	S	.	.			trans	-91.5	129.1	176.5	-84.9	169.9	16.1	0	0	110.5	E547 D551 L552	E547-Q549 HydrophobicContact CB-CG 4.13Å; E547-Q549 PolarHBondContact O-N 3.33Å; E547-Q549 PolarHBondContact OE2-NE2 2.73Å; Q549-D551 PolarHBondContact O-N 2.04Å; Q549-D551 VanDerWaalsContact O-N 3.16Å; Q549-L552 HydrophobicContact CB-CB 4.22Å
550	N	41.4	Very low	70.4	Confident	148 Å²	148	83.2 Å²	83.2	79%	0.791	45%	0.452	S	S	*	.	S	Bend	trans	-65.6	109.3	169.6	-57.8	-16.3	0	0	0	108.3	L552	N550-L552 WeakPolarHBondContact O-CD1 3.21Å; N550-L552 PolarHBondContact O-N 3.16Å
551	D	44.1	Very low	70.3	Confident	159 Å²	159	83.1 Å²	83.1	85%	0.85	45%	0.448	S	S	*	.	S	Bend	trans	51.7	-4.3	173.9	-59.4	-37.1	0	0	0	118.9	Q549	Q549-D551 PolarHBondContact O-N 2.04Å; Q549-D551 VanDerWaalsContact O-N 3.16Å
552	L	51	Low	70.1	Confident	126 Å²	126	83.4 Å²	83.4	66%	0.66	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-75.7	131.3	175.6	-96	72.7	0	0	0	111.2	Q549 N550 S554	Q549-L552 HydrophobicContact CB-CB 4.22Å; N550-L552 WeakPolarHBondContact O-CD1 3.21Å; N550-L552 PolarHBondContact O-N 3.16Å; L552-S554 PolarHBondContact O-N 2.91Å
553	K	54.1	Low	70	Confident	119 Å²	119	87.1 Å²	87.1	52%	0.517	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-71.1	124.7	-176.1	-147.1	149.5	-172.2	164.5	0	110	W169 S555	W169-K553 HydrophobicContact CD2-CD 4.12Å; W169-K553 VanDerWaalsContact CE2-CE 3.46Å; W169-K553 VanDerWaalsContact CE3-NZ 3.26Å; W169-K553 VanDerWaalsContact CG-NZ 3.28Å; W169-K553 HydrophobicContact CH2-CD 4.26Å; W169-K553 HydrophobicContact CZ2-CD 3.69Å; W169-K553 HydrophobicContact CZ2-CG 4.31Å; K553-S555 PolarHBondContact O-N 2.83Å; K553-S555 VanDerWaalsContact O-N 3.15Å
554	S	65.8	Low	70.3	Confident	56 Å²	56	86 Å²	86	39%	0.392	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-51.2	118.9	-174.1	-45.3	0	0	0	0	111.6	L552 Y592	L552-S554 PolarHBondContact O-N 2.91Å; S554-Y592 WeakPolarHBondContact O-CE2 3.46Å
555	S	72.3	Confident	71.1	Confident	66 Å²	66	80.6 Å²	80.6	46%	0.462	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-75.5	138.4	-172.6	-71.4	0	0	0	0	112.1	K553 V557	K553-S555 PolarHBondContact O-N 2.83Å; K553-S555 VanDerWaalsContact O-N 3.15Å; S555-V557 PolarHBondContact O-N 3.3Å
556	P	87.2	Confident	72.4	Confident	64 Å²	64	80.9 Å²	80.9	42%	0.416	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67.6	129.6	179.5	26.4	-33.3	0	0	0	111.5	P541 Y592	P541-P556 HydrophobicContact CB-CB 3.83Å; P556-Y592 HydrophobicContact CB-CD1 3.91Å; P556-Y592 HydrophobicContact CB-CD2 3.81Å; P556-Y592 HydrophobicContact CB-CE1 4.1Å; P556-Y592 HydrophobicContact CB-CE2 4Å; P556-Y592 HydrophobicContact CB-CG 3.78Å; P556-Y592 HydrophobicContact CG-CD2 4.5Å; P556-Y592 HydrophobicContact CG-CE1 4.32Å; P556-Y592 HydrophobicContact CG-CE2 4.19Å
557	V	89.1	Confident	74.1	Confident	23 Å²	23	76.9 Å²	76.9	14%	0.139	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-99.9	131.7	173.7	178.1	0	0	0	0	109.8	P541 L542 R544 S555 N559 F588	P541-V557 CarbonylContact C-O 3.5Å; P541-V557 WeakPolarHBondContact CA-O 3.22Å; P541-V557 WeakPolarHBondContact CB-O 3.43Å; L542-V557 HydrophobicContact CB-CB 4.29Å; L542-V557 PolarHBondContact N-O 2.7Å; L542-V557 PolarHBondContact O-N 2.88Å; R544-V557 HydrophobicContact CG-CG2 3.8Å; S555-V557 PolarHBondContact O-N 3.3Å; V557-N559 PolarHBondContact O-N 2.03Å; V557-F588 HydrophobicContact CB-CE1 4.16Å; V557-F588 HydrophobicContact CG1-CE1 4.11Å; V557-F588 HydrophobicContact CG1-CZ 4.22Å; V557-F588 HydrophobicContact CG2-CE1 4.16Å
558	P	91.3	Very high	76.2	Confident	108 Å²	108	74.2 Å²	74.2	70%	0.701	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.9	175.1	-26.5	35.4	0	0	0	112.4	S560	P558-S560 PolarHBondContact O-N 3.45Å
559	N	91.9	Very high	78.3	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.123	38%	0.377	C	S	.	.			trans	-84.5	94.1	178.2	-174.6	-3.9	0	0	0	110.2	F538 N539 G540 L542 V557 F561 S562	F538-N559 PolarHBondContact O-ND2 2.95Å; N539-N559 PolarHBondContact O-ND2 3.27Å; G540-N559 VanDerWaalsContact O-CB 3.22Å; G540-N559 WeakPolarHBondContact O-CB 3.39Å; G540-N559 PolarHBondContact O-ND2 3.4Å; L542-N559 HydrophobicContact CD1-CB 4.3Å; L542-N559 HydrophobicContact CD2-CB 4.05Å; L542-N559 HydrophobicContact CG-CB 3.93Å; V557-N559 PolarHBondContact O-N 2.03Å; N559-F561 PolarHBondContact O-N 3.45Å; N559-F561 VanDerWaalsContact OD1-C 3.25Å; N559-F561 PolarHBondContact OD1-N 2.73Å; N559-S562 PolarHBondContact OD1-N 3.11Å
560	S	87.3	Confident	80.5	Confident	110 Å²	110	65.7 Å²	65.7	77%	0.769	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.5	179.7	62.3	0	0	0	0	114.3	P558	P558-S560 PolarHBondContact O-N 3.45Å
561	F	90.7	Very high	82.3	Confident	13 Å²	13	69.6 Å²	69.6	6%	0.057	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	54.1	-178.3	-158.8	176.6	0	0	0	111.1	N559 N563 I564 R567 M573 V580	N559-F561 PolarHBondContact O-N 3.45Å; N559-F561 VanDerWaalsContact OD1-C 3.25Å; N559-F561 PolarHBondContact OD1-N 2.73Å; F561-N563 PolarHBondContact O-N 2.94Å; F561-I564 HydrophobicContact CD1-CB 4.33Å; F561-I564 HydrophobicContact CD1-CD1 3.95Å; F561-I564 HydrophobicContact CD1-CG1 4.1Å; F561-I564 HydrophobicContact CD2-CB 3.86Å; F561-I564 HydrophobicContact CD2-CG1 4.4Å; F561-I564 HydrophobicContact CE1-CB 4.44Å; F561-I564 HydrophobicContact CE1-CD1 4.1Å; F561-I564 HydrophobicContact CE1-CG1 3.94Å; F561-I564 VanDerWaalsContact CE2-CA 3.48Å; F561-I564 HydrophobicContact CE2-CB 3.98Å; F561-I564 HydrophobicContact CE2-CG1 4.25Å; F561-I564 HydrophobicContact CG-CB 4.05Å; F561-I564 HydrophobicContact CG-CD1 4.38Å; F561-I564 HydrophobicContact CG-CG1 4.33Å; F561-I564 HydrophobicContact CZ-CB 4.26Å; F561-I564 HydrophobicContact CZ-CG1 4.01Å; F561-I564 WeakPolarHBondContact O-CB 3.16Å; F561-I564 PolarHBondContact O-N 2.91Å; F561-R567 HydrophobicContact CE2-CB 3.82Å; F561-R567 HydrophobicContact CE2-CG 3.91Å; F561-R567 HydrophobicContact CZ-CB 4.12Å; F561-M573 HydrophobicContact CE1-CE 4.1Å; F561-M573 HydrophobicContact CZ-CE 3.63Å; F561-V580 HydrophobicContact CD1-CG1 4.25Å
562	S	90.7	Very high	84.2	Confident	47 Å²	47	68.1 Å²	68.1	33%	0.329	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-44.9	-178	54	0	0	0	0	113.1	N539 N559 I564	N539-S562 WeakPolarHBondContact O-CB 3.44Å; N539-S562 PolarHBondContact OD1-O 2.72Å; N559-S562 PolarHBondContact OD1-N 3.11Å; S562-I564 PolarHBondContact O-N 2.91Å; S562-I564 VanDerWaalsContact O-N 3.13Å
563	N	90.7	Very high	85.7	Confident	80 Å²	80	63.7 Å²	63.7	43%	0.428	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	26.5	-179	67.5	-12.4	0	0	0	114.8	F561 C565 S566 R567	F561-N563 PolarHBondContact O-N 2.94Å; N563-C565 VanDerWaalsContact C-N 3.33Å; N563-C565 PolarHBondContact O-N 2.82Å; N563-S566 PolarHBondContact O-N 2.82Å; N563-S566 PolarHBondContact O-OG 3.21Å; N563-S566 VanDerWaalsContact O-OG 3.13Å; N563-R567 WeakPolarHBondContact O-CG 3.4Å; N563-R567 PolarHBondContact O-N 2.75Å; N563-R567 VanDerWaalsContact O-N 3.11Å
564	I	92.4	Very high	87.4	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-51.5	-41.4	-173.9	-173.9	163.4	0	0	0	114.8	R456 T475 F561 S562 F568 L584	R456-I564 VanDerWaalsContact NH2-CG2 3.27Å; T475-I564 HydrophobicContact CG2-CD1 4.43Å; T475-I564 HydrophobicContact CG2-CG1 4.46Å; F561-I564 HydrophobicContact CD1-CB 4.33Å; F561-I564 HydrophobicContact CD1-CD1 3.95Å; F561-I564 HydrophobicContact CD1-CG1 4.1Å; F561-I564 HydrophobicContact CD2-CB 3.86Å; F561-I564 HydrophobicContact CD2-CG1 4.4Å; F561-I564 HydrophobicContact CE1-CB 4.44Å; F561-I564 HydrophobicContact CE1-CD1 4.1Å; F561-I564 HydrophobicContact CE1-CG1 3.94Å; F561-I564 VanDerWaalsContact CE2-CA 3.48Å; F561-I564 HydrophobicContact CE2-CB 3.98Å; F561-I564 HydrophobicContact CE2-CG1 4.25Å; F561-I564 HydrophobicContact CG-CB 4.05Å; F561-I564 HydrophobicContact CG-CD1 4.38Å; F561-I564 HydrophobicContact CG-CG1 4.33Å; F561-I564 HydrophobicContact CZ-CB 4.26Å; F561-I564 HydrophobicContact CZ-CG1 4.01Å; F561-I564 WeakPolarHBondContact O-CB 3.16Å; F561-I564 PolarHBondContact O-N 2.91Å; S562-I564 PolarHBondContact O-N 2.91Å; S562-I564 VanDerWaalsContact O-N 3.13Å; I564-F568 HydrophobicContact CD1-CD2 4.41Å; I564-F568 HydrophobicContact CD1-CE2 3.89Å; I564-F568 HydrophobicContact CG1-CD2 3.61Å; I564-F568 HydrophobicContact CG1-CE2 3.55Å; I564-F568 WeakPolarHBondContact O-CD2 3.39Å; I564-F568 PolarHBondContact O-N 3.3Å; I564-L584 HydrophobicContact CD1-CB 4.41Å; I564-L584 HydrophobicContact CD1-CD2 3.6Å
565	C	94.3	Very high	88.4	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-71.3	-48.5	-177.5	-62.2	0	0	0	0	113	D405 E406 C458 N563 R567 F568 N569	D405-C565 HydrophobicContact CB-CB 4.17Å; E406-C565 HydrophobicContact CG-CB 3.96Å; C458-C565 VanDerWaalsContact CA-SG 3.53Å; C458-C565 HydrophobicContact CB-CB 3.57Å; C458-C565 WeakPolarHBondContact CB-SG 3.5Å; C458-C565 WeakPolarHBondContact SG-CA 3.2Å; C458-C565 WeakPolarHBondContact SG-CB 3.32Å; C458-C565 CovalentContact SG-SG 2.03Å; C458-C565 PolarHBondContact SG-SG 2.8Å; N563-C565 VanDerWaalsContact C-N 3.33Å; N563-C565 PolarHBondContact O-N 2.82Å; C565-R567 PolarHBondContact O-N 3.23Å; C565-F568 PolarHBondContact O-N 2.88Å; C565-N569 WeakPolarHBondContact O-CB 3.32Å; C565-N569 PolarHBondContact O-N 3.12Å; C565-N569 PolarHBondContact O-ND2 2.93Å; C565-N569 PolarHBondContact O-OD1 3Å
566	S	92.7	Very high	89.1	Confident	56 Å²	56	71.3 Å²	71.3	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-30.1	177.4	54.6	0	0	0	0	112.4	N563 S570	N563-S566 PolarHBondContact O-N 2.82Å; N563-S566 PolarHBondContact O-OG 3.21Å; N563-S566 VanDerWaalsContact O-OG 3.13Å; S566-S570 PolarHBondContact O-N 3.39Å; S566-S570 VanDerWaalsContact O-N 3.15Å
567	R	91.8	Very high	89.1	Confident	58 Å²	58	71 Å²	71	22%	0.219	38%	0.375	C	S	.	.	H	α-helix	trans	-68.5	-45.4	173.1	-71.8	-70.7	-60.6	124	-11.9	112.1	F561 N563 C565 S570 N572 M573 E577	F561-R567 HydrophobicContact CE2-CB 3.82Å; F561-R567 HydrophobicContact CE2-CG 3.91Å; F561-R567 HydrophobicContact CZ-CB 4.12Å; N563-R567 WeakPolarHBondContact O-CG 3.4Å; N563-R567 PolarHBondContact O-N 2.75Å; N563-R567 VanDerWaalsContact O-N 3.11Å; C565-R567 PolarHBondContact O-N 3.23Å; R567-S570 PolarHBondContact NH1-OG 3.21Å; R567-S570 PolarHBondContact O-OG 2.82Å; R567-N572 VanDerWaalsContact CZ-O 3.27Å; R567-N572 PolarHBondContact NH1-O 2.89Å; R567-N572 PolarHBondContact NH2-O 2.96Å; R567-M573 HydrophobicContact CB-CG 4.42Å; R567-M573 HydrophobicContact CB-SD 4.11Å; R567-M573 WeakPolarHBondContact O-CG 3.04Å; R567-E577 IonicContact CZ-OE1 3.34Å; R567-E577 IonicContact NE-OE1 3.17Å; R567-E577 PolarHBondContact NE-OE1 2.87Å; R567-E577 VanDerWaalsContact NH2-CD 3.3Å; R567-E577 IonicContact NH2-OE1 2.72Å; R567-E577 PolarHBondContact NH2-OE1 3.07Å; R567-E577 IonicContact NH2-OE2 3.13Å; R567-E577 PolarHBondContact NH2-OE2 2.86Å; R567-E577 VanDerWaalsContact NH2-OE2 3.13Å
568	F	91.8	Very high	89.1	Confident	10 Å²	10	71.3 Å²	71.3	4%	0.044	38%	0.377	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.2	-85.3	-55.8	0	0	0	112.5	P462 T475 I564 C565 S570 R571 M573 V578	P462-F568 HydrophobicContact CG-CD1 3.94Å; P462-F568 HydrophobicContact CG-CE1 3.54Å; P462-F568 HydrophobicContact CG-CZ 4.04Å; T475-F568 HydrophobicContact CG2-CD2 3.72Å; T475-F568 HydrophobicContact CG2-CE2 3.76Å; I564-F568 HydrophobicContact CD1-CD2 4.41Å; I564-F568 HydrophobicContact CD1-CE2 3.89Å; I564-F568 HydrophobicContact CG1-CD2 3.61Å; I564-F568 HydrophobicContact CG1-CE2 3.55Å; I564-F568 WeakPolarHBondContact O-CD2 3.39Å; I564-F568 PolarHBondContact O-N 3.3Å; C565-F568 PolarHBondContact O-N 2.88Å; F568-S570 VanDerWaalsContact C-N 3.29Å; F568-S570 PolarHBondContact O-N 2.93Å; F568-R571 PolarHBondContact O-N 3.36Å; F568-M573 VanDerWaalsContact CA-SD 3.57Å; F568-M573 HydrophobicContact CB-SD 4.3Å; F568-M573 HydrophobicContact CD1-CE 3.84Å; F568-M573 HydrophobicContact CD1-SD 3.34Å; F568-M573 WeakPolarHBondContact CD1-SD 3.39Å; F568-M573 HydrophobicContact CE1-CE 3.53Å; F568-M573 HydrophobicContact CE1-SD 3.69Å; F568-M573 HydrophobicContact CE2-CE 4.48Å; F568-M573 HydrophobicContact CG-CE 4.41Å; F568-M573 HydrophobicContact CG-SD 3.84Å; F568-M573 HydrophobicContact CZ-CE 3.9Å; F568-M573 HydrophobicContact CZ-SD 4.48Å; F568-V578 HydrophobicContact CE1-CB 4.49Å; F568-V578 HydrophobicContact CE1-CG1 4.38Å; F568-V578 HydrophobicContact CE1-CG2 4.23Å
569	N	90.7	Very high	89	Confident	44 Å²	44	68 Å²	68	24%	0.235	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-33.3	-179.7	-64.4	-10.4	0	0	0	112.4	D405 G460 C565 R571	D405-N569 WeakPolarHBondContact CA-ND2 3.05Å; D405-N569 WeakPolarHBondContact CB-ND2 3.42Å; D405-N569 PolarHBondContact O-ND2 3Å; D405-N569 PolarHBondContact OD1-ND2 3.36Å; G460-N569 WeakPolarHBondContact CA-OD1 3.12Å; G460-N569 PolarHBondContact N-OD1 2.95Å; C565-N569 WeakPolarHBondContact O-CB 3.32Å; C565-N569 PolarHBondContact O-N 3.12Å; C565-N569 PolarHBondContact O-ND2 2.93Å; C565-N569 PolarHBondContact O-OD1 3Å; N569-R571 PolarHBondContact O-N 3.44Å
570	S	88.8	Confident	88.8	Confident	66 Å²	66	70.3 Å²	70.3	46%	0.462	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.2	175.9	82.5	0	0	0	0	114.2	S566 R567 F568 N572	S566-S570 PolarHBondContact O-N 3.39Å; S566-S570 VanDerWaalsContact O-N 3.15Å; R567-S570 PolarHBondContact NH1-OG 3.21Å; R567-S570 PolarHBondContact O-OG 2.82Å; F568-S570 VanDerWaalsContact C-N 3.29Å; F568-S570 PolarHBondContact O-N 2.93Å; S570-N572 PolarHBondContact O-N 3.16Å
571	R	79.5	Confident	88.8	Confident	230 Å²	230	65 Å²	65	87%	0.868	33%	0.333	S	S	*	.			trans	55.6	-1.7	-177.7	-57.4	-176.3	-178.6	-170.7	-0.4	115.9	F568 N569 M573	F568-R571 PolarHBondContact O-N 3.36Å; N569-R571 PolarHBondContact O-N 3.44Å; R571-M573 PolarHBondContact O-N 3.33Å
572	N	84.7	Confident	88.7	Confident	128 Å²	128	66.9 Å²	66.9	68%	0.684	34%	0.34	S	S	*	.			trans	-95.4	71.2	-176.6	-174.1	2.3	0	0	0	110.2	R567 S570	R567-N572 VanDerWaalsContact CZ-O 3.27Å; R567-N572 PolarHBondContact NH1-O 2.89Å; R567-N572 PolarHBondContact NH2-O 2.96Å; S570-N572 PolarHBondContact O-N 3.16Å
573	M	82.8	Confident	88.6	Confident	32 Å²	32	69.3 Å²	69.3	16%	0.158	34%	0.342	C	S	.	.			trans	-126.2	149.2	-176.3	-70.3	176.4	61.7	0	0	111.7	F561 R567 F568 R571 E577 V578	F561-M573 HydrophobicContact CE1-CE 4.1Å; F561-M573 HydrophobicContact CZ-CE 3.63Å; R567-M573 HydrophobicContact CB-CG 4.42Å; R567-M573 HydrophobicContact CB-SD 4.11Å; R567-M573 WeakPolarHBondContact O-CG 3.04Å; F568-M573 VanDerWaalsContact CA-SD 3.57Å; F568-M573 HydrophobicContact CB-SD 4.3Å; F568-M573 HydrophobicContact CD1-CE 3.84Å; F568-M573 HydrophobicContact CD1-SD 3.34Å; F568-M573 WeakPolarHBondContact CD1-SD 3.39Å; F568-M573 HydrophobicContact CE1-CE 3.53Å; F568-M573 HydrophobicContact CE1-SD 3.69Å; F568-M573 HydrophobicContact CE2-CE 4.48Å; F568-M573 HydrophobicContact CG-CE 4.41Å; F568-M573 HydrophobicContact CG-SD 3.84Å; F568-M573 HydrophobicContact CZ-CE 3.9Å; F568-M573 HydrophobicContact CZ-SD 4.48Å; R571-M573 PolarHBondContact O-N 3.33Å; M573-E577 HydrophobicContact CB-CB 4.46Å; M573-E577 HydrophobicContact CE-CB 3.64Å; M573-V578 HydrophobicContact CB-CG2 3.79Å; M573-V578 HydrophobicContact CE-CG2 3.9Å; M573-V578 HydrophobicContact SD-CG2 4.38Å
574	T	89.5	Confident	88.4	Confident	73 Å²	73	66.2 Å²	66.2	45%	0.448	33%	0.325	S	S	.	.			trans	-73	153.9	168.4	59.1	0	0	0	0	111.3	E576 E577 V578	T574-E576 PolarHBondContact O-N 2.86Å; T574-E577 PolarHBondContact N-OE2 2.85Å; T574-E577 PolarHBondContact O-N 3.11Å; T574-E577 VanDerWaalsContact O-N 3.16Å; T574-E577 WeakPolarHBondContact OG1-CB 3.32Å; T574-E577 WeakPolarHBondContact OG1-CG 3.45Å; T574-E577 PolarHBondContact OG1-N 2.88Å; T574-E577 PolarHBondContact OG1-OE2 3.05Å; T574-V578 WeakPolarHBondContact O-CG2 3.39Å; T574-V578 PolarHBondContact O-N 3.45Å
575	E	86.5	Confident	88.2	Confident	168 Å²	168	66.3 Å²	66.3	79%	0.785	33%	0.326	S	S	*	.	H	α-helix	trans	-58.4	-32.6	175.6	-173.4	174.6	-167.6	0	0	112.1	T579	E575-T579 VanDerWaalsContact O-CB 3.23Å; E575-T579 WeakPolarHBondContact O-CB 3.33Å; E575-T579 PolarHBondContact O-N 2.97Å; E575-T579 PolarHBondContact O-OG1 2.76Å
576	E	87.5	Confident	87.7	Confident	160 Å²	160	68.8 Å²	68.8	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-52.3	173.2	-66.8	174.7	-162	0	0	111.5	T574 V578 T579 V580	T574-E576 PolarHBondContact O-N 2.86Å; E576-V578 VanDerWaalsContact C-N 3.34Å; E576-V578 PolarHBondContact O-N 3.31Å; E576-T579 WeakPolarHBondContact O-CB 3.27Å; E576-T579 PolarHBondContact O-N 2.92Å; E576-T579 VanDerWaalsContact O-N 3.15Å; E576-V580 WeakPolarHBondContact O-CG2 3.46Å; E576-V580 PolarHBondContact O-N 3.02Å
577	E	87.3	Confident	87.4	Confident	58 Å²	58	72.4 Å²	72.4	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-41.3	175.8	-71.7	167.3	103.9	0	0	112.3	R567 M573 T574 T579 V580 G581	R567-E577 IonicContact CZ-OE1 3.34Å; R567-E577 IonicContact NE-OE1 3.17Å; R567-E577 PolarHBondContact NE-OE1 2.87Å; R567-E577 VanDerWaalsContact NH2-CD 3.3Å; R567-E577 IonicContact NH2-OE1 2.72Å; R567-E577 PolarHBondContact NH2-OE1 3.07Å; R567-E577 IonicContact NH2-OE2 3.13Å; R567-E577 PolarHBondContact NH2-OE2 2.86Å; R567-E577 VanDerWaalsContact NH2-OE2 3.13Å; M573-E577 HydrophobicContact CB-CB 4.46Å; M573-E577 HydrophobicContact CE-CB 3.64Å; T574-E577 PolarHBondContact N-OE2 2.85Å; T574-E577 PolarHBondContact O-N 3.11Å; T574-E577 VanDerWaalsContact O-N 3.16Å; T574-E577 WeakPolarHBondContact OG1-CB 3.32Å; T574-E577 WeakPolarHBondContact OG1-CG 3.45Å; T574-E577 PolarHBondContact OG1-N 2.88Å; T574-E577 PolarHBondContact OG1-OE2 3.05Å; E577-T579 VanDerWaalsContact C-N 3.3Å; E577-T579 PolarHBondContact O-N 2.86Å; E577-V580 PolarHBondContact O-N 2.69Å; E577-G581 PolarHBondContact O-N 2.91Å
578	V	88.4	Confident	87.3	Confident	29 Å²	29	71.4 Å²	71.4	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-42.6	176	172.2	0	0	0	0	110	F568 M573 T574 E576 G581 R582	F568-V578 HydrophobicContact CE1-CB 4.49Å; F568-V578 HydrophobicContact CE1-CG1 4.38Å; F568-V578 HydrophobicContact CE1-CG2 4.23Å; M573-V578 HydrophobicContact CB-CG2 3.79Å; M573-V578 HydrophobicContact CE-CG2 3.9Å; M573-V578 HydrophobicContact SD-CG2 4.38Å; T574-V578 WeakPolarHBondContact O-CG2 3.39Å; T574-V578 PolarHBondContact O-N 3.45Å; E576-V578 VanDerWaalsContact C-N 3.34Å; E576-V578 PolarHBondContact O-N 3.31Å; V578-G581 PolarHBondContact O-N 2.89Å; V578-R582 HydrophobicContact CG1-CG 4.48Å; V578-R582 WeakPolarHBondContact O-CB 3.42Å; V578-R582 VanDerWaalsContact O-CG 3.23Å; V578-R582 WeakPolarHBondContact O-CG 3.45Å; V578-R582 PolarHBondContact O-N 3.14Å
579	T	89	Confident	87.3	Confident	38 Å²	38	71 Å²	71	23%	0.233	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-36.8	178.8	-62.5	0	0	0	0	112.6	E575 E576 E577 R583	E575-T579 VanDerWaalsContact O-CB 3.23Å; E575-T579 WeakPolarHBondContact O-CB 3.33Å; E575-T579 PolarHBondContact O-N 2.97Å; E575-T579 PolarHBondContact O-OG1 2.76Å; E576-T579 WeakPolarHBondContact O-CB 3.27Å; E576-T579 PolarHBondContact O-N 2.92Å; E576-T579 VanDerWaalsContact O-N 3.15Å; E577-T579 VanDerWaalsContact C-N 3.3Å; E577-T579 PolarHBondContact O-N 2.86Å; T579-R583 WeakPolarHBondContact O-CD 3.35Å; T579-R583 WeakPolarHBondContact O-CG 3.47Å; T579-R583 PolarHBondContact O-N 2.99Å
580	V	87.2	Confident	87.3	Confident	72 Å²	72	70.7 Å²	70.7	44%	0.436	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-48	172.8	170	0	0	0	0	110.5	F561 E576 E577 R582 R583 L584	F561-V580 HydrophobicContact CD1-CG1 4.25Å; E576-V580 WeakPolarHBondContact O-CG2 3.46Å; E576-V580 PolarHBondContact O-N 3.02Å; E577-V580 PolarHBondContact O-N 2.69Å; V580-R582 PolarHBondContact O-N 3.2Å; V580-R583 PolarHBondContact O-N 3.07Å; V580-R583 VanDerWaalsContact O-N 3.09Å; V580-L584 PolarHBondContact O-N 2.92Å
581	G	87.4	Confident	87.5	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.5	-45.5	176.3	0	0	0	0	0	112.4	E577 V578 R583 L584	E577-G581 PolarHBondContact O-N 2.91Å; V578-G581 PolarHBondContact O-N 2.89Å; G581-R583 PolarHBondContact O-N 3.41Å; G581-R583 VanDerWaalsContact O-N 3.12Å; G581-L584 WeakPolarHBondContact O-CB 3.03Å; G581-L584 PolarHBondContact O-N 2.7Å
582	R	90.1	Very high	88.1	Confident	52 Å²	52	60.7 Å²	60.7	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-22.6	174.6	-79	178.3	161.2	156.4	-4.3	114.9	P462 G463 G464 L465 A474 V578 V580	P462-R582 PolarHBondContact O-NH2 2.84Å; G463-R582 WeakPolarHBondContact O-CG 3.28Å; G463-R582 PolarHBondContact O-NE 3.12Å; G464-R582 VanDerWaalsContact O-CD 3.29Å; G464-R582 WeakPolarHBondContact O-CD 3.23Å; G464-R582 PolarHBondContact O-NE 2.91Å; L465-R582 HydrophobicContact CD2-CB 3.97Å; L465-R582 HydrophobicContact CG-CB 4.44Å; A474-R582 HydrophobicContact CB-CG 4.13Å; V578-R582 HydrophobicContact CG1-CG 4.48Å; V578-R582 WeakPolarHBondContact O-CB 3.42Å; V578-R582 VanDerWaalsContact O-CG 3.23Å; V578-R582 WeakPolarHBondContact O-CG 3.45Å; V578-R582 PolarHBondContact O-N 3.14Å; V580-R582 PolarHBondContact O-N 3.2Å
583	R	88	Confident	88.5	Confident	98 Å²	98	57.8 Å²	57.8	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-97.5	-8.7	178.4	-69.7	167.5	174.8	167.8	-2.8	113.3	L465 T579 V580 G581 R587	L465-R583 HydrophobicContact CD1-CG 4.22Å; L465-R583 HydrophobicContact CD2-CG 4.24Å; T579-R583 WeakPolarHBondContact O-CD 3.35Å; T579-R583 WeakPolarHBondContact O-CG 3.47Å; T579-R583 PolarHBondContact O-N 2.99Å; V580-R583 PolarHBondContact O-N 3.07Å; V580-R583 VanDerWaalsContact O-N 3.09Å; G581-R583 PolarHBondContact O-N 3.41Å; G581-R583 VanDerWaalsContact O-N 3.12Å; R583-R587 PolarHBondContact O-N 3.3Å
584	L	86.8	Confident	89.1	Confident	15 Å²	15	58.1 Å²	58.1	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-53.3	-173.9	-167.5	72.8	0	0	0	111.8	L542 I564 V580 G581 L586 R587 F588	L542-L584 HydrophobicContact CD1-CD1 3.87Å; I564-L584 HydrophobicContact CD1-CB 4.41Å; I564-L584 HydrophobicContact CD1-CD2 3.6Å; V580-L584 PolarHBondContact O-N 2.92Å; G581-L584 WeakPolarHBondContact O-CB 3.03Å; G581-L584 PolarHBondContact O-N 2.7Å; L584-L586 VanDerWaalsContact C-N 3.28Å; L584-L586 PolarHBondContact O-N 2.88Å; L584-R587 PolarHBondContact O-N 2.96Å; L584-R587 VanDerWaalsContact O-N 3.16Å; L584-F588 HydrophobicContact CD1-CB 4.42Å; L584-F588 HydrophobicContact CD1-CD2 4.06Å; L584-F588 WeakPolarHBondContact O-CA 3.38Å; L584-F588 PolarHBondContact O-N 2.82Å
585	S	86.8	Confident	89.4	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-53.2	-42.3	176.3	162.3	0	0	0	0	112.7	F390 F473 A474 R587 P589	F390-S585 WeakPolarHBondContact CE1-OG 3.45Å; F473-S585 PolarHBondContact O-OG 3.03Å; F473-S585 VanDerWaalsContact O-OG 3.06Å; A474-S585 VanDerWaalsContact C-CB 3.49Å; A474-S585 WeakPolarHBondContact O-CB 3.32Å; A474-S585 PolarHBondContact O-N 2.65Å; S585-R587 VanDerWaalsContact C-N 3.32Å; S585-R587 PolarHBondContact O-N 2.9Å; S585-P589 VanDerWaalsContact O-CD 3.24Å; S585-P589 WeakPolarHBondContact O-CD 3.28Å
586	L	85.2	Confident	89.8	Confident	54 Å²	54	51.3 Å²	51.3	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-22.5	-178.8	-63.6	174.4	0	0	0	114.7	L465 L584	L465-L586 HydrophobicContact CD1-CD1 4.42Å; L584-L586 VanDerWaalsContact C-N 3.28Å; L584-L586 PolarHBondContact O-N 2.88Å
587	R	85.7	Confident	90.1	Very high	132 Å²	132	43.9 Å²	43.9	50%	0.498	20%	0.204	S	C	.	.	H	α-helix	trans	-112.1	-26.4	-176.2	-69	178.6	172.3	-172.7	-3.9	113.6	R583 L584 S585	R583-R587 PolarHBondContact O-N 3.3Å; L584-R587 PolarHBondContact O-N 2.96Å; L584-R587 VanDerWaalsContact O-N 3.16Å; S585-R587 VanDerWaalsContact C-N 3.32Å; S585-R587 PolarHBondContact O-N 2.9Å
588	F	89.9	Confident	90.1	Very high	38 Å²	38	43 Å²	43	17%	0.167	20%	0.2	C	C	.	.			trans	-143.4	55	-169.9	-58.8	-75.7	0	0	0	112.4	L542 V543 R544 V557 L584 Y590 R591	L542-F588 HydrophobicContact CB-CB 4.03Å; L542-F588 HydrophobicContact CB-CD1 3.57Å; L542-F588 HydrophobicContact CB-CE1 4.25Å; L542-F588 HydrophobicContact CB-CG 3.97Å; L542-F588 HydrophobicContact CD1-CB 3.9Å; L542-F588 HydrophobicContact CD1-CD1 4.04Å; L542-F588 HydrophobicContact CD1-CD2 4.01Å; L542-F588 HydrophobicContact CD1-CG 3.73Å; L542-F588 HydrophobicContact CD2-CB 4.42Å; L542-F588 HydrophobicContact CG-CB 4.34Å; L542-F588 HydrophobicContact CG-CD1 4.44Å; L542-F588 HydrophobicContact CG-CG 4.42Å; V543-F588 WeakPolarHBondContact O-CD1 3.31Å; R544-F588 HydrophobicContact CG-CE1 3.78Å; V557-F588 HydrophobicContact CB-CE1 4.16Å; V557-F588 HydrophobicContact CG1-CE1 4.11Å; V557-F588 HydrophobicContact CG1-CZ 4.22Å; V557-F588 HydrophobicContact CG2-CE1 4.16Å; L584-F588 HydrophobicContact CD1-CB 4.42Å; L584-F588 HydrophobicContact CD1-CD2 4.06Å; L584-F588 WeakPolarHBondContact O-CA 3.38Å; L584-F588 PolarHBondContact O-N 2.82Å; F588-Y590 PolarHBondContact O-N 3.49Å; F588-R591 PolarHBondContact O-NH1 2.9Å
589	P	91.1	Very high	89.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	20%	0.202	C	C	.	.			trans	-68.8	-21.3	175.3	28.1	-30.6	0	0	0	111.8	T389 F476 A477 K478 T545 S585	T389-P589 HydrophobicContact CG2-CG 3.71Å; F476-P589 HydrophobicContact CD1-CB 4.3Å; A477-P589 CarbonylContact C-O 3.6Å; A477-P589 WeakPolarHBondContact CA-O 3.22Å; K478-P589 PolarHBondContact N-O 2.79Å; T545-P589 HydrophobicContact CG2-CG 3.83Å; S585-P589 VanDerWaalsContact O-CD 3.24Å; S585-P589 WeakPolarHBondContact O-CD 3.28Å
590	Y	91.4	Very high	89.7	Confident	37 Å²	37	44.2 Å²	44.2	15%	0.145	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-94.9	138.5	177.2	-68.4	-91.3	0	0	0	112.5	T389 N416 K478 V543 T545 F588	T389-Y590 HydrophobicContact CG2-CE2 3.84Å; T389-Y590 VanDerWaalsContact O-CE2 3.32Å; T389-Y590 WeakPolarHBondContact O-CE2 3.39Å; T389-Y590 PolarHBondContact O-OH 2.05Å; N416-Y590 PolarHBondContact ND2-OH 2.75Å; K478-Y590 HydrophobicContact CD-CE1 4.33Å; K478-Y590 VanDerWaalsContact CE-OH 3.26Å; K478-Y590 WeakPolarHBondContact CE-OH 3.35Å; K478-Y590 HydrophobicContact CG-CD1 4.36Å; K478-Y590 HydrophobicContact CG-CE1 4.4Å; K478-Y590 PolarHBondContact NZ-OH 3.29Å; V543-Y590 PolarHBondContact N-O 2.95Å; V543-Y590 VanDerWaalsContact N-O 3.17Å; T545-Y590 HydrophobicContact CG2-CD2 4.09Å; T545-Y590 HydrophobicContact CG2-CE2 4.44Å; F588-Y590 PolarHBondContact O-N 3.49Å
591	R	93.5	Very high	89.9	Confident	11 Å²	11	41.5 Å²	41.5	4%	0.042	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-94.2	145.7	165.8	-63	-65.8	177.2	-87.3	7.4	110.8	K478 A479 F538 L542 F588	K478-R591 PolarHBondContact O-N 2.93Å; A479-R591 HydrophobicContact CB-CB 4.06Å; A479-R591 HydrophobicContact CB-CG 4.5Å; F538-R591 HydrophobicContact CD1-CG 3.89Å; F538-R591 HydrophobicContact CE1-CG 4.29Å; F538-R591 PolarHBondContact O-NE 2.91Å; L542-R591 VanDerWaalsContact CD2-CZ 3.5Å; F588-R591 PolarHBondContact O-NH1 2.9Å
592	Y	91.7	Very high	90.2	Very high	76 Å²	76	41.5 Å²	41.5	30%	0.298	20%	0.197	S	C	.	.	S	Bend	trans	-81.5	-30.3	-177.2	178.7	-91.9	0	0	0	112.6	P541 V543 S554 P556	P541-Y592 WeakPolarHBondContact O-CB 3.33Å; P541-Y592 PolarHBondContact O-N 2.95Å; V543-Y592 HydrophobicContact CG2-CD2 4.15Å; V543-Y592 HydrophobicContact CG2-CG 4.49Å; S554-Y592 WeakPolarHBondContact O-CE2 3.46Å; P556-Y592 HydrophobicContact CB-CD1 3.91Å; P556-Y592 HydrophobicContact CB-CD2 3.81Å; P556-Y592 HydrophobicContact CB-CE1 4.1Å; P556-Y592 HydrophobicContact CB-CE2 4Å; P556-Y592 HydrophobicContact CB-CG 3.78Å; P556-Y592 HydrophobicContact CG-CD2 4.5Å; P556-Y592 HydrophobicContact CG-CE1 4.32Å; P556-Y592 HydrophobicContact CG-CE2 4.19Å
593	L	93.4	Very high	90.3	Very high	67 Å²	67	39.4 Å²	39.4	35%	0.351	19%	0.19	S	C	.	.	S	Bend	trans	-90.6	128.3	178.5	-63.8	177.6	0	0	0	110.1	S537	S537-L593 PolarHBondContact OG-O 2.86Å
594	P	94.6	Very high	90.6	Very high	39 Å²	39	34.8 Å²	34.8	25%	0.253	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-71.2	151.3	168.2	31.8	-34.9	0	0	0	110.2	D480 I482 K596	D480-P594 HydrophobicContact CB-CB 4.01Å; D480-P594 CarbonylContact O-C 3.58Å; D480-P594 WeakPolarHBondContact O-CA 3.48Å; I482-P594 HydrophobicContact CD1-CB 3.91Å; I482-P594 HydrophobicContact CD1-CG 3.78Å; I482-P594 HydrophobicContact CG1-CB 4.06Å; I482-P594 HydrophobicContact CG1-CG 4.45Å; I482-P594 HydrophobicContact CG2-CB 3.93Å; P594-K596 PolarHBondContact O-N 3.11Å
595	V	96.3	Very high	90.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-72.9	117.6	168.8	-174.6	0	0	0	0	107.9	L454 A479 D480 L481 I482 Y529 L534	L454-V595 HydrophobicContact CD2-CG2 4.21Å; A479-V595 HydrophobicContact CB-CG2 4.03Å; D480-V595 PolarHBondContact O-N 2.86Å; L481-V595 HydrophobicContact CD1-CB 3.75Å; L481-V595 HydrophobicContact CD1-CG1 3.72Å; I482-V595 PolarHBondContact N-O 2.87Å; Y529-V595 HydrophobicContact CD1-CG1 3.85Å; Y529-V595 HydrophobicContact CG-CG1 4.41Å; L534-V595 HydrophobicContact CD1-CG1 3.68Å; L534-V595 HydrophobicContact CG-CG1 4.05Å
596	K	94	Very high	91.2	Very high	98 Å²	98	34.3 Å²	34.3	43%	0.426	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-98.3	146.3	-175.9	-64.8	177	-177.5	176.4	0	111.5	I482 Y529 P594	I482-K596 HydrophobicContact CD1-CG 4.44Å; Y529-K596 VanDerWaalsContact CD1-C 3.43Å; Y529-K596 WeakPolarHBondContact CD1-O 3.38Å; P594-K596 PolarHBondContact O-N 3.11Å
597	P	93.8	Very high	91.3	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.026	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-67.8	154.8	173.7	29.5	-34.4	0	0	0	110.6	I482 C527 I528 Y529 H599 G600	I482-P597 WeakPolarHBondContact O-CD 3.22Å; C527-P597 HydrophobicContact CB-CB 4.09Å; I528-P597 CarbonylContact O-C 3.56Å; I528-P597 WeakPolarHBondContact O-CA 3.44Å; I528-P597 WeakPolarHBondContact O-CB 3.19Å; Y529-P597 HydrophobicContact CD1-CB 4.25Å; Y529-P597 HydrophobicContact CE1-CB 4.06Å; P597-H599 PolarHBondContact O-N 2.82Å; P597-G600 PolarHBondContact O-N 2.96Å
598	L	88.2	Confident	91.3	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.199	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	-169.2	-178.1	60.6	0	0	0	115.1	I528 K671	I528-L598 PolarHBondContact O-N 3.08Å; L598-K671 PolarHBondContact O-NZ 2.83Å
599	H	82.3	Confident	91.2	Very high	46 Å²	46	32.5 Å²	32.5	21%	0.213	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	5.1	179.2	-49.6	112.7	0	0	0	113.1	P597 H601	P597-H599 PolarHBondContact O-N 2.82Å; H599-H601 PolarHBondContact O-CE1 3.2Å; H599-H601 VanDerWaalsContact O-CE1 3.26Å; H599-H601 PolarHBondContact O-N 3.12Å; H599-H601 PolarHBondContact O-ND1 2.8Å
600	G	87.1	Confident	91.2	Very high	48 Å²	48	35.9 Å²	35.9	50%	0.495	21%	0.206	S	C	.	.	S	Bend	trans	78.9	-7.8	-175.7	0	0	0	0	0	115.4	P597	P597-G600 PolarHBondContact O-N 2.96Å
601	H	90.8	Very high	91.4	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.069	20%	0.199	C	C	.	.	S	Bend	trans	-143	169	178.6	57.3	-69.5	0	0	0	111.6	S180 T181 P484 T486 H599	S180-H601 WeakPolarHBondContact CB-CE1 3.25Å; S180-H601 PolarHBondContact OG-CE1 3.34Å; S180-H601 PolarHBondContact OG-NE2 3.23Å; T181-H601 VanDerWaalsContact C-CD2 3.49Å; T181-H601 PolarHBondContact O-NE2 3.24Å; P484-H601 CarbonylContact O-C 3.58Å; P484-H601 WeakPolarHBondContact O-CA 3.47Å; P484-H601 WeakPolarHBondContact O-CB 3.44Å; T486-H601 HydrophobicContact CG2-CB 3.94Å; T486-H601 WeakPolarHBondContact OG1-CB 3.13Å; H599-H601 PolarHBondContact O-CE1 3.2Å; H599-H601 VanDerWaalsContact O-CE1 3.26Å; H599-H601 PolarHBondContact O-N 3.12Å; H599-H601 PolarHBondContact O-ND1 2.8Å
602	A	93.8	Very high	91.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.			trans	-62.8	139	172.6	0	0	0	0	0	111.6	T182 P484 A485 A525 C527	T182-A602 WeakPolarHBondContact CA-O 3.28Å; T182-A602 WeakPolarHBondContact CB-O 3.24Å; T182-A602 HydrophobicContact CG2-CB 3.96Å; T182-A602 WeakPolarHBondContact CG2-O 3.47Å; T182-A602 PolarHBondContact OG1-O 3.34Å; P484-A602 PolarHBondContact O-N 2.72Å; A485-A602 HydrophobicContact CB-CB 4.24Å; A525-A602 HydrophobicContact CB-CB 4.14Å; C527-A602 VanDerWaalsContact SG-CA 3.54Å
603	L	92.8	Very high	91.6	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.042	20%	0.203	C	C	.	.	S	Bend	trans	-74.4	-43.2	-178.4	-173.6	73.5	0	0	0	111.7	K183 L526 I528 V650 P674 I676	K183-L603 PolarHBondContact N-O 3.48Å; L526-L603 HydrophobicContact CD2-CD2 4.15Å; L526-L603 PolarHBondContact O-N 3.11Å; I528-L603 HydrophobicContact CD1-CD2 3.69Å; I528-L603 HydrophobicContact CG1-CD2 4.37Å; L603-V650 HydrophobicContact CD2-CG1 4.18Å; L603-V650 HydrophobicContact CD2-CG2 3.89Å; L603-P674 HydrophobicContact CD1-CB 4.34Å; L603-P674 HydrophobicContact CD1-CG 3.42Å; L603-P674 VanDerWaalsContact CD1-CG 3.42Å; L603-I676 HydrophobicContact CD1-CD1 3.61Å; L603-I676 HydrophobicContact CD1-CG1 4.08Å; L603-I676 HydrophobicContact CD2-CD1 4.38Å; L603-I676 HydrophobicContact CD2-CG1 4.38Å; L603-I676 HydrophobicContact CG-CD1 3.64Å; L603-I676 HydrophobicContact CG-CG1 4.16Å
604	L	93.5	Very high	91.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152	-179.8	-67	173.5	0	0	0	110.5	K183 V185 A525 L526 W611 F648 I676	K183-L604 HydrophobicContact CB-CD2 4.06Å; K183-L604 HydrophobicContact CD-CD2 4.22Å; K183-L604 HydrophobicContact CG-CD2 4.08Å; K183-L604 CarbonylContact O-C 3.47Å; K183-L604 VanDerWaalsContact O-CA 3.3Å; K183-L604 WeakPolarHBondContact O-CA 3.44Å; V185-L604 HydrophobicContact CG2-CB 4.19Å; V185-L604 HydrophobicContact CG2-CD1 4.42Å; V185-L604 HydrophobicContact CG2-CD2 3.84Å; V185-L604 HydrophobicContact CG2-CG 4.39Å; A525-L604 CarbonylContact C-O 3.52Å; A525-L604 WeakPolarHBondContact CA-O 3.29Å; A525-L604 WeakPolarHBondContact CB-O 3.46Å; L526-L604 HydrophobicContact CB-CB 4.24Å; L526-L604 HydrophobicContact CD2-CD1 4.3Å; L526-L604 PolarHBondContact N-O 3.27Å; L604-W611 HydrophobicContact CB-CH2 4.01Å; L604-W611 HydrophobicContact CB-CZ3 4.37Å; L604-F648 HydrophobicContact CD1-CD1 3.71Å; L604-F648 HydrophobicContact CD1-CD2 4.22Å; L604-F648 HydrophobicContact CD1-CE1 3.71Å; L604-F648 HydrophobicContact CD1-CE2 4.23Å; L604-F648 HydrophobicContact CD1-CG 3.96Å; L604-F648 HydrophobicContact CD1-CZ 3.98Å; L604-I676 HydrophobicContact CD1-CG2 4Å; L604-I676 HydrophobicContact CD2-CB 4.41Å; L604-I676 HydrophobicContact CD2-CD1 4.05Å; L604-I676 HydrophobicContact CD2-CG2 3.78Å; L604-I676 HydrophobicContact CG-CG2 4.15Å
605	S	93.4	Very high	91.7	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.5	168.6	165.1	0	0	0	0	110.8	K183 I184 V185 Y495 S524	K183-S605 PolarHBondContact O-N 3.05Å; I184-S605 CarbonylContact C-O 3.51Å; I184-S605 WeakPolarHBondContact CA-O 3.42Å; V185-S605 PolarHBondContact N-O 3.3Å; Y495-S605 PolarHBondContact OH-OG 2.92Å; S524-S605 CarbonylContact O-C 3.56Å; S524-S605 VanDerWaalsContact O-CA 3.27Å; S524-S605 WeakPolarHBondContact O-CA 3.27Å
606	Q	91.7	Very high	91.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.2	175.9	-165.8	-169.8	-6.2	0	0	109.7	V185 N187 G523 S524 D609 W611	V185-Q606 HydrophobicContact CB-CB 4.11Å; V185-Q606 HydrophobicContact CB-CG 4.15Å; V185-Q606 HydrophobicContact CG1-CG 4.38Å; N187-Q606 PolarHBondContact OD1-NE2 3.43Å; G523-Q606 CarbonylContact C-O 3.53Å; G523-Q606 WeakPolarHBondContact CA-O 3.46Å; S524-Q606 PolarHBondContact N-O 2.88Å; S524-Q606 PolarHBondContact O-N 3.15Å; Q606-D609 PolarHBondContact NE2-OD2 2.95Å; Q606-W611 HydrophobicContact CB-CH2 4.24Å; Q606-W611 HydrophobicContact CB-CZ2 3.57Å; Q606-W611 HydrophobicContact CG-CZ2 4.47Å; Q606-W611 VanDerWaalsContact OE1-CE2 3.29Å; Q606-W611 VanDerWaalsContact OE1-CZ2 3.29Å
607	T	89.4	Confident	91.4	Very high	98 Å²	98	25.7 Å²	25.7	60%	0.601	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.6	174.9	51.5	0	0	0	0	111.7	D609	T607-D609 VanDerWaalsContact C-N 3.33Å; T607-D609 PolarHBondContact O-N 2.7Å
608	G	84.4	Confident	91.1	Very high	53 Å²	53	27.4 Å²	27.4	55%	0.546	17%	0.172	S	C	.	.	S	Bend	trans	91.8	-31.4	178.1	0	0	0	0	0	114.7	V522	V522-G608 VanDerWaalsContact CG1-O 3.32Å; V522-G608 WeakPolarHBondContact CG1-O 3.24Å; V522-G608 PolarHBondContact O-N 3.32Å
609	D	87.1	Confident	91	Very high	35 Å²	35	26.4 Å²	26.4	19%	0.187	17%	0.166	C	C	.	.			trans	-99.8	146.2	-179.6	-83.4	-31	0	0	0	113.8	G523 S524 Q606 T607 T641 H644	G523-D609 CarbonylContact C-O 3.39Å; S524-D609 PolarHBondContact OG-O 3.23Å; Q606-D609 PolarHBondContact NE2-OD2 2.95Å; T607-D609 VanDerWaalsContact C-N 3.33Å; T607-D609 PolarHBondContact O-N 2.7Å; D609-T641 HydrophobicContact CB-CG2 3.87Å; D609-H644 IonicContact OD1-NE2 2.7Å; D609-H644 IonicContact OD2-CE1 3.89Å; D609-H644 PolarHBondContact OD2-CE1 3.49Å; D609-H644 VanDerWaalsContact OD2-CE1 3.26Å; D609-H644 IonicContact OD2-NE2 4Å; D609-H644 PolarHBondContact OD2-NE2 2.92Å
610	N	91.8	Very high	90.8	Very high	72 Å²	72	28.4 Å²	28.4	39%	0.385	18%	0.183	S	C	.	.			trans	-107.2	105.2	170.6	-80.2	-43.2	0	0	0	110.1	T515 V522 S524 V612 T641	T515-N610 HydrophobicContact CG2-CB 4.32Å; T515-N610 WeakPolarHBondContact CG2-OD1 3.37Å; V522-N610 WeakPolarHBondContact CG1-OD1 3.34Å; S524-N610 WeakPolarHBondContact OG-CA 3.08Å; N610-V612 PolarHBondContact O-N 2.89Å; N610-T641 WeakPolarHBondContact O-CG2 3.38Å
611	W	95.8	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.			trans	-74.8	115.8	175.2	-62.7	-14.9	0	0	0	110.2	V185 S499 T513 S524 L526 L604 Q606 I639	V185-W611 HydrophobicContact CG2-CH2 4.39Å; S499-W611 VanDerWaalsContact CB-O 3.27Å; S499-W611 WeakPolarHBondContact CB-O 3.27Å; S499-W611 PolarHBondContact OG-O 3.02Å; T513-W611 HydrophobicContact CG2-CB 4.25Å; T513-W611 HydrophobicContact CG2-CE3 3.83Å; S524-W611 VanDerWaalsContact CB-CG 3.49Å; S524-W611 PolarHBondContact OG-N 3.18Å; L526-W611 HydrophobicContact CB-CZ3 3.92Å; L604-W611 HydrophobicContact CB-CH2 4.01Å; L604-W611 HydrophobicContact CB-CZ3 4.37Å; Q606-W611 HydrophobicContact CB-CH2 4.24Å; Q606-W611 HydrophobicContact CB-CZ2 3.57Å; Q606-W611 HydrophobicContact CG-CZ2 4.47Å; Q606-W611 VanDerWaalsContact OE1-CE2 3.29Å; Q606-W611 VanDerWaalsContact OE1-CZ2 3.29Å; W611-I639 HydrophobicContact CB-CG2 3.63Å; W611-I639 HydrophobicContact CD2-CG2 3.56Å; W611-I639 HydrophobicContact CE3-CD1 4.14Å; W611-I639 HydrophobicContact CE3-CG2 4.01Å; W611-I639 HydrophobicContact CG-CG2 3.39Å; W611-I639 HydrophobicContact CH2-CD1 4.36Å; W611-I639 HydrophobicContact CZ3-CD1 4.06Å
612	V	94.1	Very high	88.7	Confident	49 Å²	49	29.9 Å²	29.9	30%	0.297	19%	0.185	S	C	.	.			trans	-120.8	-16.4	-175.8	-66.9	0	0	0	0	113.5	T500 N610 G640 T642	T500-V612 WeakPolarHBondContact CB-O 3.39Å; T500-V612 VanDerWaalsContact CG2-O 3.24Å; T500-V612 WeakPolarHBondContact CG2-O 3.37Å; N610-V612 PolarHBondContact O-N 2.89Å; V612-G640 PolarHBondContact N-O 3.47Å; V612-T642 HydrophobicContact CG2-CG2 4.19Å
613	H	95.2	Very high	86.9	Confident	25 Å²	25	33.5 Å²	33.5	12%	0.116	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.2	177.2	-62.7	-53.6	0	0	0	111.2	I639 G640 T641 I755 R756 I758	H613-I639 CarbonylContact O-C 3.54Å; H613-I639 WeakPolarHBondContact O-CA 3.35Å; H613-G640 PolarHBondContact N-O 2.86Å; H613-G640 PolarHBondContact O-N 3.15Å; H613-T641 PolarHBondContact CD2-O 3.39Å; H613-I755 PolarHBondContact NE2-O 2.99Å; H613-R756 VanDerWaalsContact CE1-C 3.46Å; H613-R756 PolarHBondContact CE1-O 2.82Å; H613-R756 VanDerWaalsContact CE1-O 3.31Å; H613-I758 HydrophobicContact CB-CD1 3.82Å; H613-I758 HydrophobicContact CB-CG1 3.95Å
614	L	95.6	Very high	84.8	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	127.3	-178.7	180	65.5	0	0	0	110.4	T500 T513 L526 I637 W638 I639	T500-L614 HydrophobicContact CG2-CB 3.59Å; T513-L614 HydrophobicContact CG2-CD1 4.36Å; T513-L614 HydrophobicContact CG2-CD2 4.39Å; L526-L614 HydrophobicContact CD1-CD1 4.29Å; L614-I637 HydrophobicContact CD1-CG2 3.59Å; L614-W638 WeakPolarHBondContact CA-O 3.38Å; L614-I639 HydrophobicContact CD1-CG1 4.05Å
615	Q	94.5	Very high	82.2	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.1	169.8	-76	-76.2	-12.6	0	0	108.1	W638 I758 I760	Q615-W638 HydrophobicContact CB-CB 4.42Å; Q615-W638 PolarHBondContact N-O 2.88Å; Q615-W638 PolarHBondContact O-N 3Å; Q615-I758 HydrophobicContact CB-CD1 4.35Å; Q615-I758 HydrophobicContact CG-CD1 4.08Å; Q615-I758 HydrophobicContact CG-CG1 3.77Å; Q615-I758 PolarHBondContact NE2-O 2.99Å; Q615-I760 HydrophobicContact CB-CD1 3.91Å; Q615-I760 HydrophobicContact CB-CG1 4.23Å; Q615-I760 HydrophobicContact CG-CG1 4.5Å
616	A	93.2	Very high	79.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.2	176.7	0	0	0	0	0	111.9	Y502 Y511 I636 I637	Y502-A616 HydrophobicContact CD1-CB 3.83Å; Y502-A616 HydrophobicContact CE1-CB 3.92Å; Y502-A616 WeakPolarHBondContact CE1-O 3.4Å; Y502-A616 PolarHBondContact OH-O 2.8Å; Y511-A616 HydrophobicContact CD1-CB 4.47Å; Y511-A616 HydrophobicContact CD2-CB 4.3Å; Y511-A616 HydrophobicContact CE1-CB 4.4Å; Y511-A616 HydrophobicContact CE2-CB 4.24Å; Y511-A616 HydrophobicContact CG-CB 4.43Å; A616-I636 CarbonylContact C-O 3.57Å; A616-I636 VanDerWaalsContact CA-O 3.23Å; A616-I636 WeakPolarHBondContact CA-O 3.43Å; A616-I637 HydrophobicContact CB-CG1 4.34Å
617	Y	91.1	Very high	77.5	Confident	18 Å²	18	60.8 Å²	60.8	7%	0.071	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	162	171.1	59.9	-82.3	0	0	0	109.6	L619 I636 W638 I760 L778 H797	Y617-L619 HydrophobicContact CD2-CD2 4.35Å; Y617-L619 HydrophobicContact CE2-CD2 3.95Å; Y617-L619 HydrophobicContact CE2-CG 4.4Å; Y617-I636 HydrophobicContact CD1-CB 4.12Å; Y617-I636 HydrophobicContact CD1-CG2 4.49Å; Y617-I636 HydrophobicContact CD2-CB 4.19Å; Y617-I636 HydrophobicContact CD2-CG1 4.15Å; Y617-I636 HydrophobicContact CE1-CB 3.75Å; Y617-I636 HydrophobicContact CE1-CG1 4.46Å; Y617-I636 HydrophobicContact CE1-CG2 3.7Å; Y617-I636 HydrophobicContact CE2-CB 3.83Å; Y617-I636 HydrophobicContact CE2-CG1 3.63Å; Y617-I636 HydrophobicContact CE2-CG2 4.32Å; Y617-I636 HydrophobicContact CG-CB 4.34Å; Y617-I636 PolarHBondContact N-O 3.46Å; Y617-I636 PolarHBondContact O-N 2.92Å; Y617-W638 AromaticContact CE1-CD1 3.97Å; Y617-W638 AromaticContact CE1-NE1 3.96Å; Y617-I760 HydrophobicContact CD1-CD1 3.51Å; Y617-I760 HydrophobicContact CE1-CD1 3.59Å; Y617-L778 HydrophobicContact CE1-CD2 4.24Å; Y617-H797 AromaticContact CE2-NE2 3.47Å; Y617-H797 WeakPolarHBondContact CE2-NE2 3.47Å; Y617-H797 AromaticContact CZ-NE2 3.53Å; Y617-H797 PolarHBondContact OH-CE1 2.72Å; Y617-H797 VanDerWaalsContact OH-CE1 3.29Å; Y617-H797 PolarHBondContact OH-NE2 3.41Å
618	N	88.2	Confident	75.2	Confident	40 Å²	40	58.5 Å²	58.5	21%	0.214	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.9	174.6	-47.6	-78.7	0	0	0	110.3	D504 T507 T634 S635	D504-N618 PolarHBondContact OD2-ND2 2.95Å; T507-N618 VanDerWaalsContact CG2-ND2 3.34Å; T507-N618 WeakPolarHBondContact CG2-ND2 3.45Å; N618-T634 WeakPolarHBondContact CA-O 3.39Å; N618-S635 WeakPolarHBondContact OD1-CB 3.19Å; N618-S635 PolarHBondContact OD1-OG 3.1Å
619	L	85.1	Confident	73.6	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.1	166.9	-68.1	179.1	0	0	0	108.5	Y617 T634 I636 P796 Y811	Y617-L619 HydrophobicContact CD2-CD2 4.35Å; Y617-L619 HydrophobicContact CE2-CD2 3.95Å; Y617-L619 HydrophobicContact CE2-CG 4.4Å; L619-T634 HydrophobicContact CB-CG2 4.36Å; L619-T634 HydrophobicContact CD1-CG2 4.36Å; L619-T634 PolarHBondContact N-O 2.9Å; L619-I636 HydrophobicContact CD1-CD1 3.82Å; L619-I636 HydrophobicContact CD1-CG1 3.96Å; L619-I636 HydrophobicContact CG-CD1 4.28Å; L619-I636 HydrophobicContact CG-CG1 3.91Å; L619-P796 HydrophobicContact CD1-CB 3.78Å; L619-P796 HydrophobicContact CD1-CG 3.74Å; L619-Y811 HydrophobicContact CB-CE2 4.38Å; L619-Y811 HydrophobicContact CD1-CE2 4.11Å; L619-Y811 HydrophobicContact CD2-CD2 4.2Å; L619-Y811 HydrophobicContact CD2-CE2 3.91Å; L619-Y811 HydrophobicContact CG-CE2 4.36Å
620	P	78.1	Confident	72.1	Confident	88 Å²	88	67.5 Å²	67.5	57%	0.571	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.2	171.8	25.9	-28.9	0	0	0	109.9	L622 Y811	P620-L622 PolarHBondContact O-N 3.3Å; P620-Y811 HydrophobicContact CG-CD1 4.24Å; P620-Y811 HydrophobicContact CG-CE1 3.82Å; P620-Y811 WeakPolarHBondContact O-CE1 3.41Å; P620-Y811 PolarHBondContact O-OH 3.08Å
621	S	68.6	Low	70.8	Confident	61 Å²	61	68.1 Å²	68.1	43%	0.427	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.7	127.1	178.2	-62.8	0	0	0	0	110.8	T623	S621-T623 PolarHBondContact O-N 2.9Å
622	L	66.6	Low	69.9	Low	33 Å²	33	69.3 Å²	69.3	17%	0.173	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.4	126.5	174	-66.8	174.1	0	0	0	109.4	P620 N624 G810 Y811 F825 P827	P620-L622 PolarHBondContact O-N 3.3Å; L622-N624 PolarHBondContact O-N 2.8Å; L622-G810 WeakPolarHBondContact CD2-O 3.13Å; L622-Y811 HydrophobicContact CD1-CE2 4.32Å; L622-Y811 HydrophobicContact CD2-CD1 3.89Å; L622-Y811 HydrophobicContact CD2-CD2 4.34Å; L622-Y811 HydrophobicContact CD2-CE1 3.47Å; L622-Y811 VanDerWaalsContact CD2-CE1 3.47Å; L622-Y811 HydrophobicContact CD2-CE2 3.96Å; L622-Y811 HydrophobicContact CD2-CG 4.3Å; L622-Y811 HydrophobicContact CG-CE1 4.11Å; L622-Y811 HydrophobicContact CG-CE2 4.23Å; L622-F825 HydrophobicContact CD1-CD1 4.41Å; L622-F825 HydrophobicContact CD1-CE1 3.75Å; L622-P827 HydrophobicContact CD1-CB 4.1Å
623	T	54.3	Low	69.3	Low	77 Å²	77	71.2 Å²	71.2	47%	0.472	36%	0.36	S	S	.	.			trans	-72.4	84.5	-168.7	57.9	0	0	0	0	112.3	S621 R821	S621-T623 PolarHBondContact O-N 2.9Å; T623-R821 WeakPolarHBondContact OG1-CD 3.25Å; T623-R821 PolarHBondContact OG1-NH1 2.9Å
624	N	48.6	Very low	68.9	Low	53 Å²	53	70.3 Å²	70.3	28%	0.283	36%	0.356	S	S	.	.			trans	-95.2	146.4	163.6	-70.8	-12.3	0	0	0	109.4	L622 Y626	L622-N624 PolarHBondContact O-N 2.8Å; N624-Y626 PolarHBondContact O-N 3.35Å
625	Y	40.4	Very low	68.7	Low	184 Å²	184	70 Å²	70	72%	0.722	36%	0.356	S	S	*	.	S	Bend	trans	-60.9	5.9	-162.4	-171.1	-102.6	0	0	0	117.7	L822	Y625-L822 HydrophobicContact CD1-CD1 4.49Å; Y625-L822 HydrophobicContact CD2-CD1 4.44Å; Y625-L822 HydrophobicContact CG-CD1 4Å
626	Y	43.5	Very low	68.7	Low	180 Å²	180	69.5 Å²	69.5	71%	0.706	35%	0.353	S	S	*	.			trans	-110.9	65.7	179.4	-63.2	-76.5	0	0	0	111	N624 G628	N624-Y626 PolarHBondContact O-N 3.35Å; Y626-G628 PolarHBondContact O-N 2.92Å
627	Q	42.3	Very low	68.8	Low	172 Å²	172	69.4 Å²	69.4	80%	0.804	35%	0.353	S	S	*	.			trans	-74.1	71.3	168.9	-75.1	-174.9	-80.4	0	0	110.9
628	G	41.8	Very low	69.1	Low	50 Å²	50	68.9 Å²	68.9	52%	0.515	35%	0.35	S	S	.	.	S	Bend	trans	-95.7	73.1	163.8	0	0	0	0	0	110.4	Y626 Q631	Y626-G628 PolarHBondContact O-N 2.92Å; G628-Q631 PolarHBondContact O-NE2 3.33Å; G628-Q631 VanDerWaalsContact O-NE2 3.16Å
629	D	49.2	Very low	69.5	Low	133 Å²	133	67 Å²	67	71%	0.711	34%	0.34	S	S	*	.			trans	64	150	-174.9	-59.1	-44.5	0	0	0	117	Q631	D629-Q631 HydrophobicContact CB-CG 3.94Å; D629-Q631 PolarHBondContact O-N 3.42Å
630	E	56.2	Low	69.9	Low	144 Å²	144	66.2 Å²	66.2	67%	0.673	34%	0.336	S	S	*	.			trans	-75.7	67.9	173.5	-64.4	-167.9	143.4	0	0	111.2	I632 N654	E630-I632 VanDerWaalsContact C-N 3.34Å; E630-I632 PolarHBondContact O-N 3.07Å; E630-N654 PolarHBondContact O-ND2 2.83Å
631	Q	65.3	Low	70.6	Confident	85 Å²	85	62.3 Å²	62.3	40%	0.397	31%	0.311	S	S	.	.			trans	-76.5	-16.3	-171.3	-60.1	-172.1	16.1	0	0	114.8	G628 D629 Y653 N654 V656	G628-Q631 PolarHBondContact O-NE2 3.33Å; G628-Q631 VanDerWaalsContact O-NE2 3.16Å; D629-Q631 HydrophobicContact CB-CG 3.94Å; D629-Q631 PolarHBondContact O-N 3.42Å; Q631-Y653 CarbonylContact O-C 3.59Å; Q631-Y653 WeakPolarHBondContact O-CA 3.39Å; Q631-N654 PolarHBondContact O-N 2.83Å; Q631-V656 HydrophobicContact CG-CG2 4.34Å
632	I	75.3	Confident	71.8	Confident	24 Å²	24	62 Å²	62	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.1	-173.8	-62.2	150.8	0	0	0	110.1	E630 T652 Y653 H831	E630-I632 VanDerWaalsContact C-N 3.34Å; E630-I632 PolarHBondContact O-N 3.07Å; I632-T652 WeakPolarHBondContact CA-O 3.24Å; I632-Y653 HydrophobicContact CD1-CE1 4.28Å; I632-Y653 HydrophobicContact CG1-CD1 3.67Å; I632-Y653 HydrophobicContact CG1-CE1 3.76Å; I632-H831 HydrophobicContact CD1-CB 4.05Å; I632-H831 VanDerWaalsContact CD1-O 3.26Å; I632-H831 WeakPolarHBondContact CD1-O 3.37Å
633	K	81.5	Confident	72.9	Confident	89 Å²	89	65.5 Å²	65.5	39%	0.387	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	170.2	-64.1	171.3	178.7	160.5	0	110	T652 N654	K633-T652 PolarHBondContact N-O 2.78Å; K633-T652 PolarHBondContact O-N 2.85Å; K633-T652 PolarHBondContact O-OG1 2.74Å; K633-N654 PolarHBondContact NZ-OD1 3.07Å
634	T	88.6	Confident	74.7	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.9	-179.1	-59.3	0	0	0	0	109.8	N618 L619 I636 V649 Y651 P796 H831	N618-T634 WeakPolarHBondContact CA-O 3.39Å; L619-T634 HydrophobicContact CB-CG2 4.36Å; L619-T634 HydrophobicContact CD1-CG2 4.36Å; L619-T634 PolarHBondContact N-O 2.9Å; T634-I636 HydrophobicContact CG2-CD1 4.39Å; T634-V649 HydrophobicContact CG2-CG1 3.89Å; T634-Y651 HydrophobicContact CG2-CD1 4Å; T634-Y651 HydrophobicContact CG2-CE1 3.69Å; T634-Y651 WeakPolarHBondContact OG1-CD1 3.18Å; T634-P796 HydrophobicContact CG2-CB 3.84Å; T634-P796 HydrophobicContact CG2-CG 4.04Å; T634-H831 PolarHBondContact OG1-CE1 2.81Å
635	S	91.4	Very high	76.9	Confident	5 Å²	5	60.1 Å²	60.1	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.2	178.3	-53.1	0	0	0	0	110.5	Y511 N618 V649 V650	Y511-S635 PolarHBondContact OH-OG 2.77Å; N618-S635 WeakPolarHBondContact OD1-CB 3.19Å; N618-S635 PolarHBondContact OD1-OG 3.1Å; S635-V649 CarbonylContact O-C 3.56Å; S635-V649 WeakPolarHBondContact O-CA 3.43Å; S635-V650 PolarHBondContact N-O 2.95Å; S635-V650 PolarHBondContact O-N 2.83Å
636	I	93.5	Very high	79.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	174.9	-47.7	-60.5	0	0	0	108.1	A616 Y617 L619 T634 Q647 F648 V649 P796	A616-I636 CarbonylContact C-O 3.57Å; A616-I636 VanDerWaalsContact CA-O 3.23Å; A616-I636 WeakPolarHBondContact CA-O 3.43Å; Y617-I636 HydrophobicContact CD1-CB 4.12Å; Y617-I636 HydrophobicContact CD1-CG2 4.49Å; Y617-I636 HydrophobicContact CD2-CB 4.19Å; Y617-I636 HydrophobicContact CD2-CG1 4.15Å; Y617-I636 HydrophobicContact CE1-CB 3.75Å; Y617-I636 HydrophobicContact CE1-CG1 4.46Å; Y617-I636 HydrophobicContact CE1-CG2 3.7Å; Y617-I636 HydrophobicContact CE2-CB 3.83Å; Y617-I636 HydrophobicContact CE2-CG1 3.63Å; Y617-I636 HydrophobicContact CE2-CG2 4.32Å; Y617-I636 HydrophobicContact CG-CB 4.34Å; Y617-I636 PolarHBondContact N-O 3.46Å; Y617-I636 PolarHBondContact O-N 2.92Å; L619-I636 HydrophobicContact CD1-CD1 3.82Å; L619-I636 HydrophobicContact CD1-CG1 3.96Å; L619-I636 HydrophobicContact CG-CD1 4.28Å; L619-I636 HydrophobicContact CG-CG1 3.91Å; T634-I636 HydrophobicContact CG2-CD1 4.39Å; I636-Q647 HydrophobicContact CG2-CG 3.91Å; I636-F648 WeakPolarHBondContact CA-O 3.49Å; I636-V649 HydrophobicContact CD1-CB 4.39Å; I636-V649 HydrophobicContact CD1-CG1 4.12Å; I636-V649 HydrophobicContact CD1-CG2 3.81Å; I636-P796 HydrophobicContact CD1-CG 3.6Å
637	I	95.6	Very high	82	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.5	-176.9	-47.4	178.6	0	0	0	108.7	Y511 L526 I528 L614 A616 I639 F648 V650	Y511-I637 HydrophobicContact CD1-CD1 3.82Å; Y511-I637 HydrophobicContact CD1-CG1 4.42Å; Y511-I637 HydrophobicContact CE1-CD1 3.66Å; Y511-I637 HydrophobicContact CE1-CG1 4.14Å; L526-I637 HydrophobicContact CD2-CD1 3.83Å; I528-I637 HydrophobicContact CD1-CD1 4.43Å; L614-I637 HydrophobicContact CD1-CG2 3.59Å; A616-I637 HydrophobicContact CB-CG1 4.34Å; I637-I639 HydrophobicContact CG2-CD1 4.25Å; I637-I639 HydrophobicContact CG2-CG1 3.82Å; I637-F648 HydrophobicContact CB-CB 4.46Å; I637-F648 PolarHBondContact N-O 2.04Å; I637-F648 PolarHBondContact O-N 3.04Å; I637-V650 HydrophobicContact CD1-CG2 3.63Å; I637-V650 HydrophobicContact CG1-CG2 4.35Å
638	W	96.4	Very high	84.5	Confident	6 Å²	6	34.8 Å²	34.8	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.9	168.8	-74	92.9	0	0	0	109.1	L614 Q615 Y617 L645 I646 Q647 K680 I682 I758 L765	L614-W638 WeakPolarHBondContact CA-O 3.38Å; Q615-W638 HydrophobicContact CB-CB 4.42Å; Q615-W638 PolarHBondContact N-O 2.88Å; Q615-W638 PolarHBondContact O-N 3Å; Y617-W638 AromaticContact CE1-CD1 3.97Å; Y617-W638 AromaticContact CE1-NE1 3.96Å; W638-L645 HydrophobicContact CE3-CB 4.23Å; W638-L645 HydrophobicContact CZ3-CB 4.33Å; W638-I646 WeakPolarHBondContact CA-O 3.47Å; W638-Q647 HydrophobicContact CD2-CB 4.03Å; W638-Q647 HydrophobicContact CD2-CG 4.01Å; W638-Q647 HydrophobicContact CE3-CB 3.9Å; W638-Q647 HydrophobicContact CE3-CG 4.4Å; W638-Q647 HydrophobicContact CH2-CB 3.9Å; W638-Q647 HydrophobicContact CH2-CG 4.28Å; W638-Q647 HydrophobicContact CZ2-CB 4Å; W638-Q647 VanDerWaalsContact CZ2-CD 3.43Å; W638-Q647 HydrophobicContact CZ2-CG 3.84Å; W638-Q647 HydrophobicContact CZ3-CB 3.85Å; W638-K680 HydrophobicContact CH2-CD 4.35Å; W638-K680 HydrophobicContact CH2-CG 4.44Å; W638-I682 HydrophobicContact CH2-CD1 3.96Å; W638-I682 HydrophobicContact CZ3-CD1 4.02Å; W638-I758 HydrophobicContact CB-CD1 4.33Å; W638-L765 HydrophobicContact CD2-CD2 4.03Å; W638-L765 HydrophobicContact CE3-CD2 3.97Å; W638-L765 HydrophobicContact CH2-CD2 3.96Å; W638-L765 HydrophobicContact CZ2-CD2 4.02Å; W638-L765 HydrophobicContact CZ3-CD2 3.93Å
639	I	96.5	Very high	87	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.7	177.2	-52.2	-175.7	0	0	0	108.2	T513 L526 W611 H613 L614 I637 L645 I646 F648	T513-I639 HydrophobicContact CG2-CD1 4.48Å; T513-I639 HydrophobicContact CG2-CG2 4.29Å; L526-I639 HydrophobicContact CD2-CD1 4.17Å; W611-I639 HydrophobicContact CB-CG2 3.63Å; W611-I639 HydrophobicContact CD2-CG2 3.56Å; W611-I639 HydrophobicContact CE3-CD1 4.14Å; W611-I639 HydrophobicContact CE3-CG2 4.01Å; W611-I639 HydrophobicContact CG-CG2 3.39Å; W611-I639 HydrophobicContact CH2-CD1 4.36Å; W611-I639 HydrophobicContact CZ3-CD1 4.06Å; H613-I639 CarbonylContact O-C 3.54Å; H613-I639 WeakPolarHBondContact O-CA 3.35Å; L614-I639 HydrophobicContact CD1-CG1 4.05Å; I637-I639 HydrophobicContact CG2-CD1 4.25Å; I637-I639 HydrophobicContact CG2-CG1 3.82Å; I639-L645 CarbonylContact O-C 3.56Å; I639-L645 WeakPolarHBondContact O-CA 3.41Å; I639-I646 PolarHBondContact N-O 3.29Å; I639-I646 PolarHBondContact O-N 2.77Å; I639-F648 HydrophobicContact CB-CE2 4.39Å; I639-F648 HydrophobicContact CD1-CD2 3.83Å; I639-F648 HydrophobicContact CD1-CE2 3.77Å; I639-F648 HydrophobicContact CG1-CD2 4.08Å; I639-F648 HydrophobicContact CG1-CE2 4.2Å
640	G	93.6	Very high	89	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.1	-178.5	0	0	0	0	0	114.6	V612 H613 H644	V612-G640 PolarHBondContact N-O 3.47Å; H613-G640 PolarHBondContact N-O 2.86Å; H613-G640 PolarHBondContact O-N 3.15Å; G640-H644 CarbonylContact C-O 3.6Å; G640-H644 VanDerWaalsContact CA-O 3.28Å; G640-H644 WeakPolarHBondContact CA-O 3.4Å
641	T	94.3	Very high	90.5	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.037	9%	0.093	C	C	.	.			trans	-90.4	-172.5	161	63.8	0	0	0	0	109.5	D609 N610 H613 K643 H644	D609-T641 HydrophobicContact CB-CG2 3.87Å; N610-T641 WeakPolarHBondContact O-CG2 3.38Å; H613-T641 PolarHBondContact CD2-O 3.39Å; T641-K643 PolarHBondContact O-N 3.37Å; T641-K643 PolarHBondContact OG1-N 2.84Å; T641-K643 VanDerWaalsContact OG1-N 3.12Å; T641-H644 WeakPolarHBondContact CG2-CE1 3.44Å; T641-H644 PolarHBondContact N-O 3.38Å; T641-H644 PolarHBondContact OG1-CE1 2.82Å; T641-H644 VanDerWaalsContact OG1-CG 3.26Å; T641-H644 PolarHBondContact OG1-N 2.64Å; T641-H644 PolarHBondContact OG1-ND1 3.03Å; T641-H644 VanDerWaalsContact OG1-ND1 3.14Å; T641-H644 PolarHBondContact OG1-O 3.39Å
642	T	92.1	Very high	91.4	Very high	54 Å²	54	16.9 Å²	16.9	33%	0.331	8%	0.084	S	C	.	.	S	Bend	trans	-72.4	-11.7	167.4	53.9	0	0	0	0	113.4	V612 E754 I755	V612-T642 HydrophobicContact CG2-CG2 4.19Å; T642-E754 CarbonylContact O-C 3.53Å; T642-E754 WeakPolarHBondContact O-CA 3.49Å; T642-I755 PolarHBondContact O-N 2.93Å
643	K	90.1	Very high	91.4	Very high	107 Å²	107	17.4 Å²	17.4	47%	0.465	8%	0.084	S	C	.	.	S	Bend	trans	-117.3	-22.7	-173.6	-64	-171.7	177.6	-169.5	0	114.9	T641 L684 E689	T641-K643 PolarHBondContact O-N 3.37Å; T641-K643 PolarHBondContact OG1-N 2.84Å; T641-K643 VanDerWaalsContact OG1-N 3.12Å; K643-L684 WeakPolarHBondContact O-CB 3.23Å; K643-L684 PolarHBondContact O-N 3.25Å; K643-E689 IonicContact NZ-OE2 3.5Å
644	H	92.1	Very high	90.7	Very high	15 Å²	15	16.1 Å²	16.1	7%	0.069	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162	-173.2	65	52.2	0	0	0	112.8	D609 G640 T641 E681 I682 L683	D609-H644 IonicContact OD1-NE2 2.7Å; D609-H644 IonicContact OD2-CE1 3.89Å; D609-H644 PolarHBondContact OD2-CE1 3.49Å; D609-H644 VanDerWaalsContact OD2-CE1 3.26Å; D609-H644 IonicContact OD2-NE2 4Å; D609-H644 PolarHBondContact OD2-NE2 2.92Å; G640-H644 CarbonylContact C-O 3.6Å; G640-H644 VanDerWaalsContact CA-O 3.28Å; G640-H644 WeakPolarHBondContact CA-O 3.4Å; T641-H644 WeakPolarHBondContact CG2-CE1 3.44Å; T641-H644 PolarHBondContact N-O 3.38Å; T641-H644 PolarHBondContact OG1-CE1 2.82Å; T641-H644 VanDerWaalsContact OG1-CG 3.26Å; T641-H644 PolarHBondContact OG1-N 2.64Å; T641-H644 PolarHBondContact OG1-ND1 3.03Å; T641-H644 VanDerWaalsContact OG1-ND1 3.14Å; T641-H644 PolarHBondContact OG1-O 3.39Å; H644-E681 IonicContact CD2-OE1 3.89Å; H644-I682 CarbonylContact C-O 3.52Å; H644-I682 WeakPolarHBondContact CA-O 3.4Å; H644-L683 HydrophobicContact CB-CG 4.05Å
645	L	95.1	Very high	89.1	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.8	175.4	-56.9	-179.3	0	0	0	110.1	W638 I639 E681 I682 I755 I758 L765 I767	W638-L645 HydrophobicContact CE3-CB 4.23Å; W638-L645 HydrophobicContact CZ3-CB 4.33Å; I639-L645 CarbonylContact O-C 3.56Å; I639-L645 WeakPolarHBondContact O-CA 3.41Å; L645-E681 CarbonylContact O-C 3.51Å; L645-E681 VanDerWaalsContact O-CA 3.3Å; L645-E681 WeakPolarHBondContact O-CA 3.42Å; L645-I682 PolarHBondContact N-O 2.98Å; L645-I682 PolarHBondContact O-N 2.8Å; L645-I755 HydrophobicContact CD1-CD1 4.44Å; L645-I755 HydrophobicContact CD2-CD1 3.67Å; L645-I755 HydrophobicContact CD2-CG2 4.43Å; L645-I755 HydrophobicContact CG-CD1 3.74Å; L645-I758 HydrophobicContact CD1-CG2 3.86Å; L645-I758 HydrophobicContact CD2-CD1 4.26Å; L645-I758 HydrophobicContact CD2-CG2 3.77Å; L645-I758 HydrophobicContact CG-CG2 4.49Å; L645-L765 HydrophobicContact CD1-CD2 4.17Å; L645-I767 HydrophobicContact CD1-CD1 3.47Å; L645-I767 VanDerWaalsContact CD1-CD1 3.47Å; L645-I767 HydrophobicContact CD1-CG1 3.76Å; L645-I767 HydrophobicContact CD1-CG2 4.25Å
646	I	95.4	Very high	86.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131	177.9	-56	170.4	0	0	0	109.2	W638 I639 F648 K678 E681	W638-I646 WeakPolarHBondContact CA-O 3.47Å; I639-I646 PolarHBondContact N-O 3.29Å; I639-I646 PolarHBondContact O-N 2.77Å; I646-F648 HydrophobicContact CB-CD2 4.49Å; I646-F648 HydrophobicContact CB-CE2 3.89Å; I646-F648 HydrophobicContact CB-CZ 4.41Å; I646-F648 HydrophobicContact CG2-CD2 3.9Å; I646-F648 HydrophobicContact CG2-CE1 4.23Å; I646-F648 HydrophobicContact CG2-CE2 3.37Å; I646-F648 HydrophobicContact CG2-CZ 3.57Å; I646-K678 HydrophobicContact CG2-CD 3.88Å; I646-K678 HydrophobicContact CG2-CG 3.6Å; I646-E681 HydrophobicContact CG1-CB 4.42Å; I646-E681 HydrophobicContact CG1-CG 3.94Å
647	Q	95.6	Very high	84.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.9	170.9	-165.3	-179.2	30.3	0	0	110.7	I636 W638 L679 K680	I636-Q647 HydrophobicContact CG2-CG 3.91Å; W638-Q647 HydrophobicContact CD2-CB 4.03Å; W638-Q647 HydrophobicContact CD2-CG 4.01Å; W638-Q647 HydrophobicContact CE3-CB 3.9Å; W638-Q647 HydrophobicContact CE3-CG 4.4Å; W638-Q647 HydrophobicContact CH2-CB 3.9Å; W638-Q647 HydrophobicContact CH2-CG 4.28Å; W638-Q647 HydrophobicContact CZ2-CB 4Å; W638-Q647 VanDerWaalsContact CZ2-CD 3.43Å; W638-Q647 HydrophobicContact CZ2-CG 3.84Å; W638-Q647 HydrophobicContact CZ3-CB 3.85Å; Q647-L679 PolarHBondContact O-N 2.85Å; Q647-K680 HydrophobicContact CB-CG 3.81Å; Q647-K680 PolarHBondContact N-O 3.12Å
648	F	95.2	Very high	81.3	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.5	170.6	-63.6	-86.6	0	0	0	111.5	V185 L604 I636 I637 I639 I646 I676 C677 K678	V185-F648 HydrophobicContact CG1-CE1 4.24Å; V185-F648 HydrophobicContact CG1-CZ 4.06Å; V185-F648 HydrophobicContact CG2-CE1 3.9Å; V185-F648 HydrophobicContact CG2-CZ 3.91Å; L604-F648 HydrophobicContact CD1-CD1 3.71Å; L604-F648 HydrophobicContact CD1-CD2 4.22Å; L604-F648 HydrophobicContact CD1-CE1 3.71Å; L604-F648 HydrophobicContact CD1-CE2 4.23Å; L604-F648 HydrophobicContact CD1-CG 3.96Å; L604-F648 HydrophobicContact CD1-CZ 3.98Å; I636-F648 WeakPolarHBondContact CA-O 3.49Å; I637-F648 HydrophobicContact CB-CB 4.46Å; I637-F648 PolarHBondContact N-O 2.04Å; I637-F648 PolarHBondContact O-N 3.04Å; I639-F648 HydrophobicContact CB-CE2 4.39Å; I639-F648 HydrophobicContact CD1-CD2 3.83Å; I639-F648 HydrophobicContact CD1-CE2 3.77Å; I639-F648 HydrophobicContact CG1-CD2 4.08Å; I639-F648 HydrophobicContact CG1-CE2 4.2Å; I646-F648 HydrophobicContact CB-CD2 4.49Å; I646-F648 HydrophobicContact CB-CE2 3.89Å; I646-F648 HydrophobicContact CB-CZ 4.41Å; I646-F648 HydrophobicContact CG2-CD2 3.9Å; I646-F648 HydrophobicContact CG2-CE1 4.23Å; I646-F648 HydrophobicContact CG2-CE2 3.37Å; I646-F648 HydrophobicContact CG2-CZ 3.57Å; F648-I676 HydrophobicContact CD1-CG2 4.41Å; F648-C677 CarbonylContact C-O 3.58Å; F648-C677 VanDerWaalsContact CA-O 3.26Å; F648-C677 WeakPolarHBondContact CA-O 3.48Å; F648-K678 HydrophobicContact CD1-CB 3.96Å; F648-K678 HydrophobicContact CD1-CG 4.43Å; F648-K678 HydrophobicContact CE1-CB 3.81Å; F648-K678 HydrophobicContact CE1-CD 4.43Å; F648-K678 HydrophobicContact CE1-CG 4.06Å
649	V	94.1	Very high	78.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.5	163.7	-174.5	0	0	0	0	108.4	T634 S635 I636 Y651 I676 C677 L679 P796	T634-V649 HydrophobicContact CG2-CG1 3.89Å; S635-V649 CarbonylContact O-C 3.56Å; S635-V649 WeakPolarHBondContact O-CA 3.43Å; I636-V649 HydrophobicContact CD1-CB 4.39Å; I636-V649 HydrophobicContact CD1-CG1 4.12Å; I636-V649 HydrophobicContact CD1-CG2 3.81Å; V649-Y651 HydrophobicContact CB-CE2 4.44Å; V649-Y651 HydrophobicContact CG1-CD1 4.3Å; V649-Y651 HydrophobicContact CG1-CD2 4.29Å; V649-Y651 HydrophobicContact CG1-CE1 3.76Å; V649-Y651 HydrophobicContact CG1-CE2 3.74Å; V649-Y651 VanDerWaalsContact CG1-CZ 3.44Å; V649-I676 CarbonylContact O-C 3.57Å; V649-I676 VanDerWaalsContact O-CA 3.3Å; V649-I676 WeakPolarHBondContact O-CA 3.18Å; V649-C677 PolarHBondContact N-O 3.09Å; V649-C677 PolarHBondContact O-N 3.42Å; V649-L679 HydrophobicContact CG2-CD1 3.4Å; V649-L679 HydrophobicContact CG2-CD2 4.25Å; V649-L679 HydrophobicContact CG2-CG 3.72Å; V649-P796 HydrophobicContact CG1-CG 3.99Å; V649-P796 HydrophobicContact CG2-CG 3.81Å
650	V	91.6	Very high	76.2	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.4	171.8	-172.3	0	0	0	0	108.7	L603 S635 I637 T652 P674 I675 I676	L603-V650 HydrophobicContact CD2-CG1 4.18Å; L603-V650 HydrophobicContact CD2-CG2 3.89Å; S635-V650 PolarHBondContact N-O 2.95Å; S635-V650 PolarHBondContact O-N 2.83Å; I637-V650 HydrophobicContact CD1-CG2 3.63Å; I637-V650 HydrophobicContact CG1-CG2 4.35Å; V650-T652 HydrophobicContact CG1-CG2 4.06Å; V650-P674 HydrophobicContact CG1-CB 3.98Å; V650-I675 WeakPolarHBondContact CA-O 3.39Å; V650-I676 HydrophobicContact CG1-CG1 4.39Å; V650-I676 HydrophobicContact CG2-CG2 4.13Å
651	Y	88.4	Confident	73.6	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.7	168.9	-52.2	-77.5	0	0	0	109	T634 V649 P674 I675 I829 H837	T634-Y651 HydrophobicContact CG2-CD1 4Å; T634-Y651 HydrophobicContact CG2-CE1 3.69Å; T634-Y651 WeakPolarHBondContact OG1-CD1 3.18Å; V649-Y651 HydrophobicContact CB-CE2 4.44Å; V649-Y651 HydrophobicContact CG1-CD1 4.3Å; V649-Y651 HydrophobicContact CG1-CD2 4.29Å; V649-Y651 HydrophobicContact CG1-CE1 3.76Å; V649-Y651 HydrophobicContact CG1-CE2 3.74Å; V649-Y651 VanDerWaalsContact CG1-CZ 3.44Å; Y651-P674 VanDerWaalsContact O-CA 3.26Å; Y651-P674 WeakPolarHBondContact O-CA 3.32Å; Y651-P674 WeakPolarHBondContact O-CB 3.5Å; Y651-I675 HydrophobicContact CD2-CB 4.15Å; Y651-I675 HydrophobicContact CD2-CG2 4.15Å; Y651-I675 WeakPolarHBondContact CD2-O 3.34Å; Y651-I675 PolarHBondContact N-O 3.2Å; Y651-I675 PolarHBondContact O-N 3.24Å; Y651-I829 WeakPolarHBondContact OH-CD1 3.45Å; Y651-I829 WeakPolarHBondContact OH-CG1 3.3Å; Y651-H837 AromaticContact CD1-CD2 3.72Å; Y651-H837 HydrophobicContact CD2-CB 4.38Å; Y651-H837 AromaticContact CG-CD2 3.74Å
652	T	82.8	Confident	70.9	Confident	33 Å²	33	52.7 Å²	52.7	20%	0.202	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.1	173.4	57.1	0	0	0	0	109.7	I632 K633 V650 P674	I632-T652 WeakPolarHBondContact CA-O 3.24Å; K633-T652 PolarHBondContact N-O 2.78Å; K633-T652 PolarHBondContact O-N 2.85Å; K633-T652 PolarHBondContact O-OG1 2.74Å; V650-T652 HydrophobicContact CG1-CG2 4.06Å; T652-P674 HydrophobicContact CG2-CB 4.19Å
653	Y	76.2	Confident	68.1	Low	35 Å²	35	58.8 Å²	58.8	14%	0.137	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	178.9	-53.2	-88.4	0	0	0	108.5	Q631 I632 A672 I675 R834 H837	Q631-Y653 CarbonylContact O-C 3.59Å; Q631-Y653 WeakPolarHBondContact O-CA 3.39Å; I632-Y653 HydrophobicContact CD1-CE1 4.28Å; I632-Y653 HydrophobicContact CG1-CD1 3.67Å; I632-Y653 HydrophobicContact CG1-CE1 3.76Å; Y653-A672 HydrophobicContact CD2-CB 4.1Å; Y653-A672 HydrophobicContact CG-CB 4.34Å; Y653-I675 HydrophobicContact CE2-CG1 4.4Å; Y653-R834 HydrophobicContact CE1-CB 4.24Å; Y653-R834 HydrophobicContact CE1-CG 3.81Å; Y653-R834 HydrophobicContact CE2-CG 4.25Å; Y653-H837 WeakPolarHBondContact OH-CB 3.05Å; Y653-H837 PolarHBondContact OH-CD2 2.83Å
654	N	67.4	Low	65.3	Low	62 Å²	62	60.8 Å²	60.8	33%	0.332	34%	0.34	S	S	.	.			trans	-78.7	135	170.7	-66.1	-40.1	0	0	0	108.8	E630 Q631 K633 V656	E630-N654 PolarHBondContact O-ND2 2.83Å; Q631-N654 PolarHBondContact O-N 2.83Å; K633-N654 PolarHBondContact NZ-OD1 3.07Å; N654-V656 PolarHBondContact O-N 2.99Å
655	D	53.6	Low	62.4	Low	98 Å²	98	66.5 Å²	66.5	52%	0.524	37%	0.37	S	S	.	.			trans	-68.6	116.6	174.6	-63.4	-50.1	0	0	0	109.4	T657	D655-T657 PolarHBondContact O-N 2.94Å; D655-T657 VanDerWaalsContact O-N 3.11Å
656	V	45.9	Very low	59.5	Low	96 Å²	96	70.4 Å²	70.4	58%	0.582	39%	0.394	S	S	*	.			trans	-69	108	-175.4	179.2	0	0	0	0	110.7	Q631 N654 S658	Q631-V656 HydrophobicContact CG-CG2 4.34Å; N654-V656 PolarHBondContact O-N 2.99Å; V656-S658 PolarHBondContact O-N 2.86Å
657	T	40.2	Very low	56.6	Low	127 Å²	127	77.3 Å²	77.3	78%	0.779	43%	0.431	S	S	*	.			trans	-77	115.7	166.8	49.2	0	0	0	0	109.6	D655	D655-T657 PolarHBondContact O-N 2.94Å; D655-T657 VanDerWaalsContact O-N 3.11Å
658	S	31.4	Very low	53.8	Low	55 Å²	55	82.2 Å²	82.2	39%	0.385	46%	0.457	S	S	.	.			trans	-57.2	138	175.4	-178.3	0	0	0	0	111.1	V656 T660 G661	V656-S658 PolarHBondContact O-N 2.86Å; S658-T660 PolarHBondContact O-N 2.85Å; S658-T660 PolarHBondContact OG-OG1 2.87Å; S658-G661 PolarHBondContact O-N 2.93Å
659	P	41.5	Very low	50.8	Low	141 Å²	141	88.7 Å²	88.7	92%	0.916	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.7	177.7	26	-35.5	0	0	0	113.8	G661	P659-G661 VanDerWaalsContact C-N 3.3Å
660	T	43.2	Very low	48.2	Very low	95 Å²	95	95.3 Å²	95.3	58%	0.583	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8	172.8	56.6	0	0	0	0	114.2	S658 E662	S658-T660 PolarHBondContact O-N 2.85Å; S658-T660 PolarHBondContact OG-OG1 2.87Å; T660-E662 PolarHBondContact O-N 3.04Å; T660-E662 VanDerWaalsContact O-N 3.07Å
661	G	40.5	Very low	46.4	Very low	65 Å²	65	100.2 Å²	100.2	67%	0.67	54%	0.535	S	S	*	.			trans	73	-9.4	-179.9	0	0	0	0	0	115.3	S658 P659 K663	S658-G661 PolarHBondContact O-N 2.93Å; P659-G661 VanDerWaalsContact C-N 3.3Å; G661-K663 PolarHBondContact O-N 2.83Å
662	E	35.8	Very low	45.1	Very low	115 Å²	115	101.1 Å²	101.1	54%	0.537	54%	0.542	S	S	.	.			trans	-66.4	103.4	174.8	-68	-163.2	134.8	0	0	111	T660 Y664	T660-E662 PolarHBondContact O-N 3.04Å; T660-E662 VanDerWaalsContact O-N 3.07Å; E662-Y664 HydrophobicContact CB-CD2 4Å; E662-Y664 HydrophobicContact CB-CE2 3.62Å; E662-Y664 HydrophobicContact CG-CE2 4.44Å; E662-Y664 PolarHBondContact O-N 3.4Å; E662-Y664 WeakPolarHBondContact OE2-CE2 3.44Å; E662-Y664 VanDerWaalsContact OE2-CZ 3.27Å; E662-Y664 PolarHBondContact OE2-OH 2.82Å
663	K	33.9	Very low	44.5	Very low	183 Å²	183	102.7 Å²	102.7	80%	0.796	55%	0.552	S	S	*	*			trans	-68.2	97	161.2	-74.6	-174.6	175.3	178.6	0	109	G661 L665	G661-K663 PolarHBondContact O-N 2.83Å; K663-L665 HydrophobicContact CB-CD1 3.92Å; K663-L665 HydrophobicContact CD-CD1 4.48Å; K663-L665 PolarHBondContact O-N 2.84Å
664	Y	31.8	Very low	44.9	Very low	148 Å²	148	101.9 Å²	101.9	58%	0.58	55%	0.551	S	S	*	*			trans	-66.6	81.9	163	-79	-94.1	0	0	0	109.8	E662 T666	E662-Y664 HydrophobicContact CB-CD2 4Å; E662-Y664 HydrophobicContact CB-CE2 3.62Å; E662-Y664 HydrophobicContact CG-CE2 4.44Å; E662-Y664 PolarHBondContact O-N 3.4Å; E662-Y664 WeakPolarHBondContact OE2-CE2 3.44Å; E662-Y664 VanDerWaalsContact OE2-CZ 3.27Å; E662-Y664 PolarHBondContact OE2-OH 2.82Å; Y664-T666 PolarHBondContact O-N 2.85Å
665	L	30.8	Very low	45.9	Very low	136 Å²	136	101 Å²	101	71%	0.712	55%	0.545	S	S	*	.			trans	-64.3	80.6	159.1	-87.8	91.7	0	0	0	108.4	K663	K663-L665 HydrophobicContact CB-CD1 3.92Å; K663-L665 HydrophobicContact CD-CD1 4.48Å; K663-L665 PolarHBondContact O-N 2.84Å
666	T	33.8	Very low	47.6	Very low	83 Å²	83	96.9 Å²	96.9	51%	0.509	52%	0.523	S	S	.	.			trans	-86	129	148.4	54.9	0	0	0	0	106.2	Y664 N668 Q669	Y664-T666 PolarHBondContact O-N 2.85Å; T666-N668 PolarHBondContact O-N 2.84Å; T666-Q669 PolarHBondContact O-N 2.77Å
667	D	35.7	Very low	49.8	Very low	145 Å²	145	92.4 Å²	92.4	78%	0.775	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	11.1	-177.8	-78.2	-47.7	0	0	0	114.3	Q177	Q177-D667 PolarHBondContact NE2-O 3.06Å
668	N	35.2	Very low	52.3	Low	102 Å²	102	87.3 Å²	87.3	55%	0.545	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	27	179.3	-68.1	-38.9	0	0	0	112.3	Q177 T666 Y670	Q177-N668 PolarHBondContact NE2-OD1 2.85Å; T666-N668 PolarHBondContact O-N 2.84Å; N668-Y670 VanDerWaalsContact C-N 3.28Å; N668-Y670 WeakPolarHBondContact O-CD2 3.26Å; N668-Y670 PolarHBondContact O-N 3.46Å
669	Q	32.8	Very low	55.2	Low	141 Å²	141	85.1 Å²	85.1	66%	0.659	45%	0.447	S	S	*	.			trans	-66.4	88	170.3	-80.4	-162.6	-34.9	0	0	111	T666 K671	T666-Q669 PolarHBondContact O-N 2.77Å; Q669-K671 VanDerWaalsContact C-N 3.32Å; Q669-K671 PolarHBondContact O-N 2.77Å
670	Y	40	Very low	57.6	Low	138 Å²	138	79.2 Å²	79.2	54%	0.541	41%	0.407	S	S	.	.			trans	-62.5	89.2	168.7	-79.6	-90.1	0	0	0	110.1	I178 N668 A672	I178-Y670 HydrophobicContact CB-CE1 4.48Å; N668-Y670 VanDerWaalsContact C-N 3.28Å; N668-Y670 WeakPolarHBondContact O-CD2 3.26Å; N668-Y670 PolarHBondContact O-N 3.46Å; Y670-A672 WeakPolarHBondContact O-CA 3.5Å; Y670-A672 PolarHBondContact O-N 2.95Å
671	K	53.8	Low	60	Low	106 Å²	106	75.4 Å²	75.4	46%	0.461	38%	0.383	S	S	.	.			trans	-46	109.9	165.5	-161.1	-177.3	-171.3	-174	0	108.1	L598 Q669 T673	L598-K671 PolarHBondContact O-NZ 2.83Å; Q669-K671 VanDerWaalsContact C-N 3.32Å; Q669-K671 PolarHBondContact O-N 2.77Å; K671-T673 PolarHBondContact O-N 2.67Å; K671-T673 VanDerWaalsContact O-N 3.12Å
672	A	60.5	Low	62.5	Low	19 Å²	19	72.6 Å²	72.6	16%	0.157	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.2	116.3	-152.4	0	0	0	0	0	112.6	Y653 Y670	Y653-A672 HydrophobicContact CD2-CB 4.1Å; Y653-A672 HydrophobicContact CG-CB 4.34Å; Y670-A672 WeakPolarHBondContact O-CA 3.5Å; Y670-A672 PolarHBondContact O-N 2.95Å
673	T	71	Confident	65.1	Low	66 Å²	66	68 Å²	68	41%	0.405	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-53.4	124.1	-178.7	45.5	0	0	0	0	111.3	K671 R834	K671-T673 PolarHBondContact O-N 2.67Å; K671-T673 VanDerWaalsContact O-N 3.12Å; T673-R834 PolarHBondContact O-NH2 2.99Å; T673-R834 PolarHBondContact OG1-NH2 2.88Å
674	P	84.8	Confident	67.7	Low	18 Å²	18	60.3 Å²	60.3	12%	0.117	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-69.4	144.2	-176.2	29	-36.6	0	0	0	110.8	L603 V650 Y651 T652	L603-P674 HydrophobicContact CD1-CB 4.34Å; L603-P674 HydrophobicContact CD1-CG 3.42Å; L603-P674 VanDerWaalsContact CD1-CG 3.42Å; V650-P674 HydrophobicContact CG1-CB 3.98Å; Y651-P674 VanDerWaalsContact O-CA 3.26Å; Y651-P674 WeakPolarHBondContact O-CA 3.32Å; Y651-P674 WeakPolarHBondContact O-CB 3.5Å; T652-P674 HydrophobicContact CG2-CB 4.19Å
675	I	87.4	Confident	69.5	Low	43 Å²	43	54.3 Å²	54.3	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.1	176.7	-62.3	-177.8	0	0	0	108.2	V650 Y651 Y653 H837	V650-I675 WeakPolarHBondContact CA-O 3.39Å; Y651-I675 HydrophobicContact CD2-CB 4.15Å; Y651-I675 HydrophobicContact CD2-CG2 4.15Å; Y651-I675 WeakPolarHBondContact CD2-O 3.34Å; Y651-I675 PolarHBondContact N-O 3.2Å; Y651-I675 PolarHBondContact O-N 3.24Å; Y653-I675 HydrophobicContact CE2-CG1 4.4Å; I675-H837 HydrophobicContact CD1-CB 3.93Å; I675-H837 WeakPolarHBondContact CD1-O 3.41Å
676	I	90.7	Very high	71	Confident	12 Å²	12	53 Å²	53	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.8	-170.1	-44.6	145.6	0	0	0	110	K183 L603 L604 F648 V649 V650 C839	K183-I676 HydrophobicContact CB-CD1 4.22Å; K183-I676 HydrophobicContact CD-CB 4.31Å; K183-I676 HydrophobicContact CD-CD1 4.15Å; K183-I676 PolarHBondContact NZ-O 2.88Å; L603-I676 HydrophobicContact CD1-CD1 3.61Å; L603-I676 HydrophobicContact CD1-CG1 4.08Å; L603-I676 HydrophobicContact CD2-CD1 4.38Å; L603-I676 HydrophobicContact CD2-CG1 4.38Å; L603-I676 HydrophobicContact CG-CD1 3.64Å; L603-I676 HydrophobicContact CG-CG1 4.16Å; L604-I676 HydrophobicContact CD1-CG2 4Å; L604-I676 HydrophobicContact CD2-CB 4.41Å; L604-I676 HydrophobicContact CD2-CD1 4.05Å; L604-I676 HydrophobicContact CD2-CG2 3.78Å; L604-I676 HydrophobicContact CG-CG2 4.15Å; F648-I676 HydrophobicContact CD1-CG2 4.41Å; V649-I676 CarbonylContact O-C 3.57Å; V649-I676 VanDerWaalsContact O-CA 3.3Å; V649-I676 WeakPolarHBondContact O-CA 3.18Å; V650-I676 HydrophobicContact CG1-CG1 4.39Å; V650-I676 HydrophobicContact CG2-CG2 4.13Å; I676-C839 PolarHBondContact O-SG 3.04Å
677	C	92.1	Very high	71.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.7	-176.4	-59	0	0	0	0	111.3	F648 V649 C839	F648-C677 CarbonylContact C-O 3.58Å; F648-C677 VanDerWaalsContact CA-O 3.26Å; F648-C677 WeakPolarHBondContact CA-O 3.48Å; V649-C677 PolarHBondContact N-O 3.09Å; V649-C677 PolarHBondContact O-N 3.42Å; C677-C839 WeakPolarHBondContact CA-SG 3.19Å; C677-C839 HydrophobicContact CB-CB 3.7Å; C677-C839 WeakPolarHBondContact CB-SG 3.44Å; C677-C839 WeakPolarHBondContact SG-CA 3.48Å; C677-C839 WeakPolarHBondContact SG-CB 3.34Å; C677-C839 CovalentContact SG-SG 2.04Å; C677-C839 PolarHBondContact SG-SG 2.88Å
678	K	92.7	Very high	72.4	Confident	20 Å²	20	51 Å²	51	9%	0.087	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.3	166.9	-174.6	-179.8	167.9	-173.6	0	107.3	V185 W188 I646 F648 E681	V185-K678 HydrophobicContact CG1-CD 4.21Å; W188-K678 HydrophobicContact CD2-CD 4.09Å; W188-K678 HydrophobicContact CE3-CD 4.31Å; W188-K678 HydrophobicContact CH2-CB 4.06Å; W188-K678 HydrophobicContact CH2-CD 3.88Å; W188-K678 HydrophobicContact CH2-CG 3.56Å; W188-K678 WeakPolarHBondContact CH2-O 3.44Å; W188-K678 HydrophobicContact CZ2-CB 3.75Å; W188-K678 HydrophobicContact CZ2-CD 3.58Å; W188-K678 HydrophobicContact CZ2-CG 3.58Å; W188-K678 HydrophobicContact CZ3-CD 4.2Å; W188-K678 HydrophobicContact CZ3-CG 4.15Å; I646-K678 HydrophobicContact CG2-CD 3.88Å; I646-K678 HydrophobicContact CG2-CG 3.6Å; F648-K678 HydrophobicContact CD1-CB 3.96Å; F648-K678 HydrophobicContact CD1-CG 4.43Å; F648-K678 HydrophobicContact CE1-CB 3.81Å; F648-K678 HydrophobicContact CE1-CD 4.43Å; F648-K678 HydrophobicContact CE1-CG 4.06Å; K678-E681 WeakPolarHBondContact CE-OE2 3.39Å; K678-E681 IonicContact NZ-OE2 2.61Å; K678-E681 PolarHBondContact NZ-OE2 3.2Å
679	L	91.6	Very high	72.8	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-52.8	-177.4	-71	-178.4	0	0	0	112.7	R194 Q647 V649 K794 D795 P840	R194-L679 WeakPolarHBondContact CB-O 3.29Å; R194-L679 WeakPolarHBondContact CD-O 3.48Å; Q647-L679 PolarHBondContact O-N 2.85Å; V649-L679 HydrophobicContact CG2-CD1 3.4Å; V649-L679 HydrophobicContact CG2-CD2 4.25Å; V649-L679 HydrophobicContact CG2-CG 3.72Å; L679-K794 WeakPolarHBondContact CD2-O 3.15Å; L679-D795 HydrophobicContact CD1-CB 4.41Å; L679-P840 HydrophobicContact CD2-CG 4.1Å
680	K	91.5	Very high	73	Confident	18 Å²	18	44.3 Å²	44.3	8%	0.078	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.3	-171.4	56.6	-172.6	73.3	99.1	0	111.6	R194 W638 Q647 D795	R194-K680 WeakPolarHBondContact O-CA 3.49Å; W638-K680 HydrophobicContact CH2-CD 4.35Å; W638-K680 HydrophobicContact CH2-CG 4.44Å; Q647-K680 HydrophobicContact CB-CG 3.81Å; Q647-K680 PolarHBondContact N-O 3.12Å; K680-D795 IonicContact NZ-OD2 3.55Å; K680-D795 PolarHBondContact NZ-OD2 3.26Å
681	E	93.1	Very high	73.1	Confident	15 Å²	15	42.5 Å²	42.5	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.3	178.4	-178.6	173.9	152.6	0	0	109.8	R194 I195 E196 H644 L645 I646 K678 L683	R194-E681 PolarHBondContact O-N 3.45Å; I195-E681 CarbonylContact C-O 3.57Å; I195-E681 WeakPolarHBondContact CA-O 3.24Å; I195-E681 HydrophobicContact CG1-CB 4.36Å; E196-E681 PolarHBondContact N-O 3.16Å; H644-E681 IonicContact CD2-OE1 3.89Å; L645-E681 CarbonylContact O-C 3.51Å; L645-E681 VanDerWaalsContact O-CA 3.3Å; L645-E681 WeakPolarHBondContact O-CA 3.42Å; I646-E681 HydrophobicContact CG1-CB 4.42Å; I646-E681 HydrophobicContact CG1-CG 3.94Å; K678-E681 WeakPolarHBondContact CE-OE2 3.39Å; K678-E681 IonicContact NZ-OE2 2.61Å; K678-E681 PolarHBondContact NZ-OE2 3.2Å; E681-L683 HydrophobicContact CG-CD1 4.16Å
682	I	93.1	Very high	72.7	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.7	-175.2	-54.8	176.4	0	0	0	108.4	E196 I198 L201 W638 H644 L645 L776	E196-I682 CarbonylContact O-C 3.54Å; E196-I682 WeakPolarHBondContact O-CA 3.45Å; I198-I682 HydrophobicContact CB-CG2 4.05Å; L201-I682 HydrophobicContact CD1-CD1 4.33Å; L201-I682 HydrophobicContact CD1-CG2 4.29Å; W638-I682 HydrophobicContact CH2-CD1 3.96Å; W638-I682 HydrophobicContact CZ3-CD1 4.02Å; H644-I682 CarbonylContact C-O 3.52Å; H644-I682 WeakPolarHBondContact CA-O 3.4Å; L645-I682 PolarHBondContact N-O 2.98Å; L645-I682 PolarHBondContact O-N 2.8Å; I682-L776 HydrophobicContact CD1-CD1 3.83Å; I682-L776 HydrophobicContact CG2-CD1 4.5Å
683	L	92	Very high	71.8	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.4	177.3	-74.1	82.1	0	0	0	111.5	L190 I195 E196 F197 I198 H644 E681	L190-L683 HydrophobicContact CD2-CD2 3.9Å; I195-L683 HydrophobicContact CG2-CD1 3.39Å; E196-L683 PolarHBondContact O-N 3Å; F197-L683 HydrophobicContact CD1-CB 3.84Å; F197-L683 HydrophobicContact CE1-CB 3.83Å; F197-L683 HydrophobicContact CE1-CD2 3.94Å; F197-L683 HydrophobicContact CE1-CG 4.39Å; F197-L683 HydrophobicContact CZ-CD2 4.37Å; I198-L683 PolarHBondContact N-O 2.86Å; H644-L683 HydrophobicContact CB-CG 4.05Å; E681-L683 HydrophobicContact CG-CD1 4.16Å
684	L	87.6	Confident	70.5	Confident	23 Å²	23	47.3 Å²	47.3	12%	0.12	24%	0.242	C	C	.	.	S	Bend	trans	-91.3	117.1	169.4	175.1	62.4	0	0	0	109.7	I198 K643 E753 I755 T769 F774	I198-L684 HydrophobicContact CG2-CD1 3.87Å; K643-L684 WeakPolarHBondContact O-CB 3.23Å; K643-L684 PolarHBondContact O-N 3.25Å; L684-E753 HydrophobicContact CD2-CB 4.27Å; L684-E753 HydrophobicContact CD2-CG 4.16Å; L684-I755 HydrophobicContact CB-CG1 4.36Å; L684-I755 HydrophobicContact CD2-CG1 3.82Å; L684-T769 HydrophobicContact CD1-CG2 3.81Å; L684-T769 HydrophobicContact CD2-CG2 3.64Å; L684-T769 HydrophobicContact CG-CG2 4.4Å; L684-F774 HydrophobicContact CD1-CE2 4.22Å; L684-F774 HydrophobicContact CD1-CZ 4.49Å
685	G	69	Low	68.3	Low	22 Å²	22	50 Å²	50	23%	0.227	26%	0.255	C	S	.	.	S	Bend	trans	77.2	128.2	-178.6	0	0	0	0	0	113.5	E199 Q687	E199-G685 VanDerWaalsContact CD-CA 3.5Å; E199-G685 VanDerWaalsContact CD-N 3.34Å; E199-G685 VanDerWaalsContact OE1-CA 3.31Å; E199-G685 WeakPolarHBondContact OE1-CA 3.45Å; E199-G685 PolarHBondContact OE1-N 3Å; E199-G685 VanDerWaalsContact OE2-CA 3.23Å; E199-G685 WeakPolarHBondContact OE2-CA 3.4Å; E199-G685 PolarHBondContact OE2-N 3.48Å; G685-Q687 PolarHBondContact O-N 3.08Å
686	R	63.4	Low	66.1	Low	107 Å²	107	51.1 Å²	51.1	40%	0.404	27%	0.265	S	S	.	.			trans	-56.9	126.2	150.7	-67.8	-176.8	178.4	-147.8	-2.6	107.5	F197 D200 I688	F197-R686 HydrophobicContact CB-CG 4.48Å; F197-R686 HydrophobicContact CD1-CG 4.15Å; F197-R686 HydrophobicContact CG-CG 4.16Å; D200-R686 IonicContact OD1-CZ 2.81Å; D200-R686 IonicContact OD1-NE 3.7Å; D200-R686 PolarHBondContact OD1-NE 2.96Å; D200-R686 IonicContact OD1-NH2 2.78Å; D200-R686 PolarHBondContact OD1-NH2 2.8Å; D200-R686 IonicContact OD2-CZ 2.81Å; D200-R686 IonicContact OD2-NE 3.66Å; D200-R686 IonicContact OD2-NH2 3.21Å; D200-R686 PolarHBondContact OD2-NH2 2.95Å; R686-I688 PolarHBondContact O-N 2.77Å
687	Q	51.9	Low	63.9	Low	86 Å²	86	53.9 Å²	53.9	40%	0.402	28%	0.283	S	S	.	.			trans	-58.6	108.8	-173.5	-75.5	-173.4	5.8	0	0	111.3	G685 E689 A690 I691	G685-Q687 PolarHBondContact O-N 3.08Å; Q687-E689 HydrophobicContact CB-CB 4.35Å; Q687-E689 PolarHBondContact O-N 3.49Å; Q687-A690 HydrophobicContact CB-CB 4.04Å; Q687-A690 WeakPolarHBondContact O-CB 3.48Å; Q687-A690 PolarHBondContact O-N 3.36Å; Q687-I691 PolarHBondContact O-N 2.88Å
688	I	46.8	Very low	62	Low	101 Å²	101	60.1 Å²	60.1	52%	0.518	32%	0.317	S	S	.	.	H	α-helix	trans	-58.2	-28.3	165.7	-62.4	175.9	0	0	0	109.6	R686 A690 I691 I692	R686-I688 PolarHBondContact O-N 2.77Å; I688-A690 VanDerWaalsContact C-N 3.3Å; I688-A690 PolarHBondContact O-N 2.86Å; I688-I691 PolarHBondContact O-N 3.29Å; I688-I692 HydrophobicContact CG2-CD1 3.68Å; I688-I692 HydrophobicContact CG2-CG1 4.07Å; I688-I692 WeakPolarHBondContact O-CB 3.2Å; I688-I692 WeakPolarHBondContact O-CG1 3.38Å; I688-I692 PolarHBondContact O-N 2.88Å
689	E	42.9	Very low	59.9	Low	64 Å²	64	68.7 Å²	68.7	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-56.8	-38	170.1	-65.9	171.9	154.2	0	0	112.3	K643 Q687 L693 K752	K643-E689 IonicContact NZ-OE2 3.5Å; Q687-E689 HydrophobicContact CB-CB 4.35Å; Q687-E689 PolarHBondContact O-N 3.49Å; E689-L693 VanDerWaalsContact O-CB 3.27Å; E689-L693 WeakPolarHBondContact O-CB 3.45Å; E689-L693 WeakPolarHBondContact O-CD1 3.19Å; E689-L693 WeakPolarHBondContact O-CG 3.41Å; E689-L693 PolarHBondContact O-N 2.89Å; E689-K752 IonicContact OE1-NZ 3.53Å; E689-K752 PolarHBondContact OE1-NZ 2.95Å
690	A	37.9	Very low	57.7	Low	39 Å²	39	71.1 Å²	71.1	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-39.9	176	0	0	0	0	0	112.4	Q687 I688 L693 Q694	Q687-A690 HydrophobicContact CB-CB 4.04Å; Q687-A690 WeakPolarHBondContact O-CB 3.48Å; Q687-A690 PolarHBondContact O-N 3.36Å; I688-A690 VanDerWaalsContact C-N 3.3Å; I688-A690 PolarHBondContact O-N 2.86Å; A690-L693 PolarHBondContact O-N 3.19Å; A690-Q694 WeakPolarHBondContact O-CB 3.29Å; A690-Q694 VanDerWaalsContact O-CG 3.25Å; A690-Q694 WeakPolarHBondContact O-CG 3.43Å; A690-Q694 PolarHBondContact O-N 2.94Å; A690-Q694 VanDerWaalsContact O-N 3.16Å
691	I	42.3	Very low	55.3	Low	100 Å²	100	73.8 Å²	73.8	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-43.3	176.3	-62.3	169.8	0	0	0	110.4	Q687 I688 L693 Q694 L695	Q687-I691 PolarHBondContact O-N 2.88Å; I688-I691 PolarHBondContact O-N 3.29Å; I691-L693 VanDerWaalsContact C-N 3.35Å; I691-L693 PolarHBondContact O-N 2.8Å; I691-Q694 PolarHBondContact O-N 3.39Å; I691-Q694 VanDerWaalsContact O-N 3.14Å; I691-L695 PolarHBondContact O-N 3.18Å
692	I	43.7	Very low	52.8	Low	37 Å²	37	79 Å²	79	19%	0.19	40%	0.404	C	S	.	.	H	α-helix	trans	-68.2	-33	178	-68.7	176.2	0	0	0	111.9	I688 Q694 L695 I747	I688-I692 HydrophobicContact CG2-CD1 3.68Å; I688-I692 HydrophobicContact CG2-CG1 4.07Å; I688-I692 WeakPolarHBondContact O-CB 3.2Å; I688-I692 WeakPolarHBondContact O-CG1 3.38Å; I688-I692 PolarHBondContact O-N 2.88Å; I692-Q694 VanDerWaalsContact C-N 3.26Å; I692-Q694 PolarHBondContact O-N 2.84Å; I692-L695 PolarHBondContact O-N 3.26Å; I692-I747 HydrophobicContact CD1-CG1 4.17Å; I692-I747 HydrophobicContact CG2-CD1 3.95Å; I692-I747 HydrophobicContact CG2-CG1 4.22Å
693	L	42.7	Very low	50.1	Low	137 Å²	137	84.3 Å²	84.3	72%	0.717	43%	0.432	S	S	*	.	H	α-helix	trans	-71.4	-19.9	172.8	-74.4	167.4	0	0	0	113.2	E689 A690 I691	E689-L693 VanDerWaalsContact O-CB 3.27Å; E689-L693 WeakPolarHBondContact O-CB 3.45Å; E689-L693 WeakPolarHBondContact O-CD1 3.19Å; E689-L693 WeakPolarHBondContact O-CG 3.41Å; E689-L693 PolarHBondContact O-N 2.89Å; A690-L693 PolarHBondContact O-N 3.19Å; I691-L693 VanDerWaalsContact C-N 3.35Å; I691-L693 PolarHBondContact O-N 2.8Å
694	Q	42.9	Very low	47.7	Very low	117 Å²	117	86.8 Å²	86.8	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-93.2	-8	176.6	-72.7	169.8	-9	0	0	113.7	A690 I691 I692	A690-Q694 WeakPolarHBondContact O-CB 3.29Å; A690-Q694 VanDerWaalsContact O-CG 3.25Å; A690-Q694 WeakPolarHBondContact O-CG 3.43Å; A690-Q694 PolarHBondContact O-N 2.94Å; A690-Q694 VanDerWaalsContact O-N 3.16Å; I691-Q694 PolarHBondContact O-N 3.39Å; I691-Q694 VanDerWaalsContact O-N 3.14Å; I692-Q694 VanDerWaalsContact C-N 3.26Å; I692-Q694 PolarHBondContact O-N 2.84Å
695	L	39	Very low	45.3	Very low	75 Å²	75	91.1 Å²	91.1	39%	0.393	48%	0.479	S	S	.	.	S	Bend	trans	-76.9	126.6	174.1	-75.6	172.2	0	0	0	111.1	I691 I692	I691-L695 PolarHBondContact O-N 3.18Å; I692-L695 PolarHBondContact O-N 3.26Å
696	P	41.9	Very low	43.8	Very low	67 Å²	67	98.2 Å²	98.2	44%	0.435	50%	0.499	S	S	.	.			trans	-55	140.7	170.4	-25	34.6	0	0	0	111.1	D698 R699	P696-D698 PolarHBondContact O-N 3.12Å; P696-R699 PolarHBondContact O-N 2.87Å
697	P	43.5	Very low	42.6	Very low	69 Å²	69	101.3 Å²	101.3	45%	0.448	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-58.3	-34.1	-179.2	24	-32.8	0	0	0	112.3	R699 L700	P697-R699 PolarHBondContact O-N 3.08Å; P697-L700 PolarHBondContact O-N 3.24Å
698	D	52.3	Low	41.8	Very low	133 Å²	133	104.6 Å²	104.6	71%	0.711	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-72	7	-176.1	-37.8	-42.4	0	0	0	114.3	P696	P696-D698 PolarHBondContact O-N 3.12Å
699	R	48.9	Very low	41.2	Very low	201 Å²	201	107.4 Å²	107.4	76%	0.758	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-113.2	9	174.3	-78.2	-167.9	171.5	-164.1	-2.7	114.3	P696 P697	P696-R699 PolarHBondContact O-N 2.87Å; P697-R699 PolarHBondContact O-N 3.08Å
700	L	45.2	Very low	40.9	Very low	59 Å²	59	110.9 Å²	110.9	31%	0.309	57%	0.567	S	S	.	*	S	Bend	trans	-100.4	-9.9	172.5	-86.8	155.8	0	0	0	113.6	P697 I746	P697-L700 PolarHBondContact O-N 3.24Å; L700-I746 HydrophobicContact CD2-CD1 3.97Å
701	D	41.6	Very low	40.7	Very low	75 Å²	75	117.9 Å²	117.9	40%	0.401	59%	0.593	S	S	.	*	S	Bend	trans	-107.8	123.5	171.4	-61.2	-50	0	0	0	110.1	N739	D701-N739 PolarHBondContact OD2-ND2 3.07Å
702	L	40.2	Very low	40	Very low	125 Å²	125	116.5 Å²	116.5	65%	0.654	60%	0.603	S	S	*	*	S	Bend	trans	170.8	-45.1	139.3	-95.2	158.4	0	0	0	112.8
703	D	37.3	Very low	39.4	Very low	116 Å²	116	121.6 Å²	121.6	62%	0.62	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-82.6	-25.5	-168	-66.6	-36.4	0	0	0	114.9	N705 R706	D703-N705 PolarHBondContact O-N 3.44Å; D703-N705 VanDerWaalsContact O-N 3.17Å; D703-R706 PolarHBondContact O-N 2.8Å
704	A	41.7	Very low	39	Very low	70 Å²	70	120.9 Å²	120.9	58%	0.579	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-64.1	-23.1	-174.8	0	0	0	0	0	114.5
705	N	35.9	Very low	38.6	Very low	114 Å²	114	123 Å²	123	61%	0.61	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-94.5	-20.2	-176.8	-68.2	-8.4	0	0	0	113.4	D703	D703-N705 PolarHBondContact O-N 3.44Å; D703-N705 VanDerWaalsContact O-N 3.17Å
706	R	38.6	Very low	38.1	Very low	171 Å²	171	131.4 Å²	131.4	65%	0.645	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-19.7	-175.6	-89.8	-174.4	166.3	-169.6	-4.1	115	D703	D703-R706 PolarHBondContact O-N 2.8Å
707	Q	36.9	Very low	37.8	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-4.8	179.6	-69.4	-169.1	-17.3	0	0	114.5
708	L	35.5	Very low	37.3	Very low	154 Å²	154	140.6 Å²	140.6	81%	0.806	71%	0.706	S	S	*	*	S	Bend	trans	-95.5	-14.4	173.8	-104.4	75.6	0	0	0	114.4
709	E	34.8	Very low	36.3	Very low	160 Å²	160	143 Å²	143	75%	0.748	72%	0.715	S	S	*	*	S	Bend	trans	-93.6	-0.3	-174.3	-62.9	-172.3	139.3	0	0	114.2
710	I	36.2	Very low	35.5	Very low	137 Å²	137	140.7 Å²	140.7	70%	0.703	72%	0.717	S	S	*	*	S	Bend	trans	-111	5.4	-173.6	-49	-177.6	0	0	0	112.6
711	H	33.7	Very low	34.9	Very low	186 Å²	186	145.1 Å²	145.1	86%	0.861	74%	0.741	S	S	*	*			trans	-119	52.3	161.3	-93.1	28	0	0	0	110.7	D713	H711-D713 VanDerWaalsContact C-N 3.3Å; H711-D713 PolarHBondContact O-N 3.26Å
712	G	27.6	Very low	34.4	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	76%	0.761	S	S	*	*			trans	-73.9	83.2	163.8	0	0	0	0	0	110.8
713	D	32	Very low	34.2	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	77%	0.771	S	S	*	*			trans	-151.7	134	154.9	-126.6	-27.3	0	0	0	113.1	H711	H711-D713 VanDerWaalsContact C-N 3.3Å; H711-D713 PolarHBondContact O-N 3.26Å
714	T	34.2	Very low	34.3	Very low	121 Å²	121	153.5 Å²	153.5	74%	0.742	78%	0.78	S	S	*	*	S	Bend	trans	66.7	153.1	179.7	73.9	0	0	0	0	119.2
715	I	34.6	Very low	34.1	Very low	161 Å²	161	158.1 Å²	158.1	83%	0.826	79%	0.793	S	S	*	*			trans	65.2	36.6	171.3	-29.1	-177.5	0	0	0	117.3
716	W	28.1	Very low	33.9	Very low	252 Å²	252	155.8 Å²	155.8	96%	0.955	80%	0.796	S	S	*	*			trans	-81	104.4	146.3	-102.5	77.1	0	0	0	109.6
717	N	35.3	Very low	33.5	Very low	146 Å²	146	155.4 Å²	155.4	78%	0.781	81%	0.807	S	S	*	*			trans	-162.3	140	165.9	-116.9	-59.5	0	0	0	114.1
718	K	32.3	Very low	33.4	Very low	184 Å²	184	153.7 Å²	153.7	80%	0.8	81%	0.808	S	S	*	*			trans	58.8	90.1	172.2	-62.4	178.3	178.9	172.8	0	118.2
719	M	31.4	Very low	33.2	Very low	184 Å²	184	151.6 Å²	151.6	91%	0.906	81%	0.806	S	S	*	*				-139.5	112.8	108.9	-95.7	-159.7	-179.9	0	0	110.7
720	N	31.8	Very low	33.3	Very low	151 Å²	151	150 Å²	150	81%	0.807	81%	0.807	S	S	*	*			trans	-80.9	119.6	175.4	-73.9	-14.8	0	0	0	110.3
721	L	33	Very low	33.1	Very low	153 Å²	153	151.9 Å²	151.9	80%	0.801	81%	0.813	S	S	*	*			trans	-151.1	17.9	152.1	-144.3	69.3	0	0	0	115	K723	L721-K723 VanDerWaalsContact C-N 3.33Å; L721-K723 PolarHBondContact O-N 2.88Å; L721-K723 VanDerWaalsContact O-N 3.16Å
722	S	31.3	Very low	33.2	Very low	117 Å²	117	148.5 Å²	148.5	82%	0.818	81%	0.81	S	S	*	*			trans	-88.2	54.1	-179.7	46.7	0	0	0	0	113.3
723	K	35.9	Very low	33.6	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.865	81%	0.809	S	S	*	*			trans	-160.3	69	173	-127.1	171.2	-169.4	176.8	0	116.3	L721	L721-K723 VanDerWaalsContact C-N 3.33Å; L721-K723 PolarHBondContact O-N 2.88Å; L721-K723 VanDerWaalsContact O-N 3.16Å
724	Q	40.2	Very low	33.9	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	81%	0.808	S	S	*	*	S	Bend	trans	-171.7	119.2	141	-108.4	169.6	1.4	0	0	111.4
725	I	36	Very low	34.2	Very low	166 Å²	166	152.8 Å²	152.8	85%	0.851	81%	0.805	S	S	*	*			trans	51.9	118.9	145.9	-48.4	158.7	0	0	0	116.9
726	G	32.4	Very low	34.7	Very low	65 Å²	65	148.9 Å²	148.9	67%	0.67	79%	0.792	S	S	*	*			cis	166.5	151	0.7	0	0	0	0	0	110.2
727	D	31.4	Very low	35.5	Very low	164 Å²	164	143.7 Å²	143.7	88%	0.877	78%	0.779	S	S	*	*			trans	14.4	111.9	172.3	-53.5	-19.1	0	0	0	120.1
728	V	33.3	Very low	35.8	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	77%	0.766	S	S	*	*				-161.5	146.8	124.4	139.6	0	0	0	0	108.4
729	S	32.5	Very low	36.3	Very low	110 Å²	110	134 Å²	134	77%	0.769	74%	0.738	S	S	*	*			trans	-65.3	134.1	-176.4	49.7	0	0	0	0	113.7
730	V	35.3	Very low	37.1	Very low	126 Å²	126	133.7 Å²	133.7	76%	0.764	73%	0.727	S	S	*	*			trans	-121.7	105	168.5	179.6	0	0	0	0	109.1	V733	V730-V733 HydrophobicContact CG1-CG2 4.14Å
731	E	33.9	Very low	37.7	Very low	176 Å²	176	132.2 Å²	132.2	82%	0.822	72%	0.719	S	S	*	*			trans	-137	142.7	176	-162.8	157.6	-144.9	0	0	108.5
732	S	34	Very low	38.1	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	70%	0.698	S	S	*	*			trans	69.9	43.4	-178	76.4	0	0	0	0	119.4
733	V	36.3	Very low	38.8	Very low	117 Å²	117	127.4 Å²	127.4	71%	0.709	67%	0.672	S	S	*	*			trans	-73.9	130.7	158.9	179.7	0	0	0	0	109.9	V730	V730-V733 HydrophobicContact CG1-CG2 4.14Å
734	R	38.5	Very low	39.5	Very low	200 Å²	200	123.4 Å²	123.4	76%	0.755	66%	0.657	S	S	*	*			trans	-75.4	126.4	-164.4	-64.7	173.9	175.4	151.5	-2.3	114.1	S736 Q737	R734-S736 PolarHBondContact O-N 2.88Å; R734-S736 VanDerWaalsContact O-N 3.08Å; R734-Q737 PolarHBondContact O-N 2.9Å
735	T	40.1	Very low	39.8	Very low	111 Å²	111	119.8 Å²	119.8	68%	0.681	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-48.8	-33.9	171.6	48	0	0	0	0	114.2	Q737 V738 N739	T735-Q737 PolarHBondContact O-N 3.1Å; T735-V738 PolarHBondContact O-N 3.1Å; T735-N739 PolarHBondContact O-N 2.85Å; T735-N739 PolarHBondContact O-OD1 2.85Å
736	S	44.9	Very low	40.3	Very low	79 Å²	79	115 Å²	115	55%	0.552	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-52.9	-22	-177.1	61.7	0	0	0	0	117.1	R734	R734-S736 PolarHBondContact O-N 2.88Å; R734-S736 VanDerWaalsContact O-N 3.08Å
737	Q	46	Very low	41.1	Very low	143 Å²	143	114.3 Å²	114.3	67%	0.668	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-85.5	-34	175.2	-79.1	-176.6	-36.4	0	0	113	R734 T735 R740 L741	R734-Q737 PolarHBondContact O-N 2.9Å; T735-Q737 PolarHBondContact O-N 3.1Å; Q737-R740 PolarHBondContact O-N 3.45Å; Q737-L741 PolarHBondContact O-N 3.4Å
738	V	41.9	Very low	41.8	Very low	84 Å²	84	109.4 Å²	109.4	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-51.4	178.5	-178.2	0	0	0	0	109.5	T735 R740 L741 Y742	T735-V738 PolarHBondContact O-N 3.1Å; V738-R740 PolarHBondContact O-N 2.85Å; V738-R740 VanDerWaalsContact O-N 3.08Å; V738-L741 PolarHBondContact O-N 3.37Å; V738-Y742 PolarHBondContact O-N 3.38Å
739	N	42.4	Very low	42.5	Very low	43 Å²	43	109.8 Å²	109.8	23%	0.23	57%	0.574	C	S	.	*	H	α-helix	trans	-63.3	-20.8	-175.9	-62.6	41.2	0	0	0	113.4	D701 T735 R743	D701-N739 PolarHBondContact OD2-ND2 3.07Å; T735-N739 PolarHBondContact O-N 2.85Å; T735-N739 PolarHBondContact O-OD1 2.85Å; N739-R743 WeakPolarHBondContact O-CB 3.46Å; N739-R743 PolarHBondContact O-N 2.87Å; N739-R743 VanDerWaalsContact O-N 3.13Å
740	R	47.8	Very low	43.7	Very low	177 Å²	177	108.3 Å²	108.3	67%	0.668	56%	0.56	S	S	*	*	H	α-helix	trans	-77.2	-46.2	173.4	-172.2	173.7	-178.3	154.1	3.6	111.9	Q737 V738 R743 E744	Q737-R740 PolarHBondContact O-N 3.45Å; V738-R740 PolarHBondContact O-N 2.85Å; V738-R740 VanDerWaalsContact O-N 3.08Å; R740-R743 PolarHBondContact O-N 3.22Å; R740-E744 IonicContact NE-OE1 3.55Å; R740-E744 PolarHBondContact NE-OE1 2.85Å; R740-E744 PolarHBondContact O-N 3.27Å
741	L	44.9	Very low	45	Very low	120 Å²	120	108.8 Å²	108.8	63%	0.628	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-45.5	174.7	-75.1	163	0	0	0	110.9	Q737 V738 R743 E744 E745	Q737-L741 PolarHBondContact O-N 3.4Å; V738-L741 PolarHBondContact O-N 3.37Å; L741-R743 VanDerWaalsContact C-N 3.34Å; L741-R743 PolarHBondContact O-N 3Å; L741-E744 PolarHBondContact O-N 2.78Å; L741-E745 WeakPolarHBondContact O-CB 3.2Å; L741-E745 PolarHBondContact O-N 2.82Å
742	Y	41.8	Very low	46.9	Very low	96 Å²	96	105.4 Å²	105.4	38%	0.376	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176.7	-121.7	-117.2	0	0	0	112.4	V738 E745 I746	V738-Y742 PolarHBondContact O-N 3.38Å; Y742-E745 PolarHBondContact O-N 2.83Å; Y742-I746 HydrophobicContact CD1-CD1 3.82Å; Y742-I746 HydrophobicContact CE1-CD1 4.38Å; Y742-I746 WeakPolarHBondContact O-CB 3.24Å; Y742-I746 VanDerWaalsContact O-CG1 3.28Å; Y742-I746 WeakPolarHBondContact O-CG1 3.12Å; Y742-I746 PolarHBondContact O-N 2.9Å
743	R	46.2	Very low	49.4	Very low	73 Å²	73	102.1 Å²	102.1	28%	0.275	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.2	-179.3	176.2	-69.9	-146	-6.7	112	N739 R740 L741 I747	N739-R743 WeakPolarHBondContact O-CB 3.46Å; N739-R743 PolarHBondContact O-N 2.87Å; N739-R743 VanDerWaalsContact O-N 3.13Å; R740-R743 PolarHBondContact O-N 3.22Å; L741-R743 VanDerWaalsContact C-N 3.34Å; L741-R743 PolarHBondContact O-N 3Å; R743-I747 HydrophobicContact CG-CD1 3.82Å; R743-I747 WeakPolarHBondContact O-CB 3.34Å; R743-I747 WeakPolarHBondContact O-CD1 3.37Å; R743-I747 WeakPolarHBondContact O-CG1 3.04Å; R743-I747 PolarHBondContact O-N 2.69Å
744	E	49.4	Very low	52	Low	115 Å²	115	99.4 Å²	99.4	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-36.1	176.5	-71.9	175.1	-160.3	0	0	111.7	R740 L741 G748	R740-E744 IonicContact NE-OE1 3.55Å; R740-E744 PolarHBondContact NE-OE1 2.85Å; R740-E744 PolarHBondContact O-N 3.27Å; L741-E744 PolarHBondContact O-N 2.78Å; E744-G748 PolarHBondContact O-N 3.42Å
745	E	47	Very low	54.7	Low	99 Å²	99	90.2 Å²	90.2	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-72	-42.4	176.9	-161.1	-173.1	147.2	0	0	113.2	L741 Y742 G748 K749	L741-E745 WeakPolarHBondContact O-CB 3.2Å; L741-E745 PolarHBondContact O-N 2.82Å; Y742-E745 PolarHBondContact O-N 2.83Å; E745-G748 PolarHBondContact O-N 3.02Å; E745-K749 WeakPolarHBondContact O-CG 3.26Å; E745-K749 PolarHBondContact O-N 2.7Å; E745-K749 WeakPolarHBondContact OE1-CE 3.32Å; E745-K749 IonicContact OE1-NZ 2.69Å; E745-K749 PolarHBondContact OE1-NZ 3.5Å
746	I	47.2	Very low	57.2	Low	65 Å²	65	90.6 Å²	90.6	33%	0.333	44%	0.441	S	S	.	.	H	α-helix	trans	-66.5	-42.5	177	-70	168.4	0	0	0	110.8	L700 Y742 G748 K749	L700-I746 HydrophobicContact CD2-CD1 3.97Å; Y742-I746 HydrophobicContact CD1-CD1 3.82Å; Y742-I746 HydrophobicContact CE1-CD1 4.38Å; Y742-I746 WeakPolarHBondContact O-CB 3.24Å; Y742-I746 VanDerWaalsContact O-CG1 3.28Å; Y742-I746 WeakPolarHBondContact O-CG1 3.12Å; Y742-I746 PolarHBondContact O-N 2.9Å; I746-G748 VanDerWaalsContact C-N 3.28Å; I746-G748 PolarHBondContact O-N 3.14Å; I746-K749 PolarHBondContact O-N 2.81Å
747	I	48.6	Very low	59.5	Low	52 Å²	52	89 Å²	89	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-35.2	172.3	-67.6	168.2	0	0	0	110.8	I692 R743	I692-I747 HydrophobicContact CD1-CG1 4.17Å; I692-I747 HydrophobicContact CG2-CD1 3.95Å; I692-I747 HydrophobicContact CG2-CG1 4.22Å; R743-I747 HydrophobicContact CG-CD1 3.82Å; R743-I747 WeakPolarHBondContact O-CB 3.34Å; R743-I747 WeakPolarHBondContact O-CD1 3.37Å; R743-I747 WeakPolarHBondContact O-CG1 3.04Å; R743-I747 PolarHBondContact O-N 2.69Å
748	G	46.1	Very low	61.8	Low	60 Å²	60	82.5 Å²	82.5	62%	0.619	39%	0.392	S	S	*	.	H	α-helix	trans	-67	-33	176.7	0	0	0	0	0	114.4	E744 E745 I746 V750	E744-G748 PolarHBondContact O-N 3.42Å; E745-G748 PolarHBondContact O-N 3.02Å; I746-G748 VanDerWaalsContact C-N 3.28Å; I746-G748 PolarHBondContact O-N 3.14Å; G748-V750 PolarHBondContact O-N 3.15Å
749	K	48.5	Very low	64.2	Low	145 Å²	145	78.5 Å²	78.5	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-71.9	-24.4	179.9	-76.6	169.4	-177.5	168.9	0	113.6	E745 I746 K751	E745-K749 WeakPolarHBondContact O-CG 3.26Å; E745-K749 PolarHBondContact O-N 2.7Å; E745-K749 WeakPolarHBondContact OE1-CE 3.32Å; E745-K749 IonicContact OE1-NZ 2.69Å; E745-K749 PolarHBondContact OE1-NZ 3.5Å; I746-K749 PolarHBondContact O-N 2.81Å; K749-K751 PolarHBondContact O-N 2.92Å; K749-K751 VanDerWaalsContact O-N 3.14Å
750	V	56.5	Low	66.5	Low	78 Å²	78	76.5 Å²	76.5	47%	0.473	36%	0.357	S	S	.	.	S	Bend	trans	-80.9	93.8	175.3	-175.6	0	0	0	0	110.1	G748 K752	G748-V750 PolarHBondContact O-N 3.15Å; V750-K752 PolarHBondContact O-N 2.84Å
751	K	62.1	Low	68.4	Low	137 Å²	137	68.2 Å²	68.2	60%	0.596	33%	0.327	S	S	*	.			trans	-48.5	112.6	171.8	-70.4	-176.8	-176.9	178.2	0	110.1	N217 K749 K771	N217-K751 PolarHBondContact OD1-NZ 2.94Å; K749-K751 PolarHBondContact O-N 2.92Å; K749-K751 VanDerWaalsContact O-N 3.14Å; K751-K771 WeakPolarHBondContact O-CE 3.2Å; K751-K771 PolarHBondContact O-NZ 2.94Å
752	K	75	Confident	70.1	Confident	105 Å²	105	64.3 Å²	64.3	46%	0.457	31%	0.312	S	S	.	.			trans	-65.8	146.6	-179.7	-60.5	-171.2	-177.7	-176.6	0	110.4	E689 V750 N770	E689-K752 IonicContact OE1-NZ 3.53Å; E689-K752 PolarHBondContact OE1-NZ 2.95Å; V750-K752 PolarHBondContact O-N 2.84Å; K752-N770 PolarHBondContact O-ND2 2.85Å; K752-N770 VanDerWaalsContact O-ND2 3.07Å
753	E	86.5	Confident	72.2	Confident	46 Å²	46	62.1 Å²	62.1	22%	0.215	31%	0.311	C	S	.	.			trans	-86.6	137.7	172.4	-156.7	168.4	150.6	0	0	109.1	L684 T769 N770 K771 Q772	L684-E753 HydrophobicContact CD2-CB 4.27Å; L684-E753 HydrophobicContact CD2-CG 4.16Å; E753-T769 HydrophobicContact CG-CG2 4.32Å; E753-T769 WeakPolarHBondContact OE1-CB 3.35Å; E753-T769 PolarHBondContact OE1-OG1 3.42Å; E753-N770 VanDerWaalsContact CA-OD1 3.31Å; E753-N770 WeakPolarHBondContact CA-OD1 3.19Å; E753-N770 WeakPolarHBondContact CG-OD1 3.43Å; E753-K771 HydrophobicContact CB-CD 4.29Å; E753-K771 HydrophobicContact CG-CB 4.09Å; E753-K771 HydrophobicContact CG-CD 3.97Å; E753-K771 HydrophobicContact CG-CG 4.02Å; E753-Q772 PolarHBondContact OE1-NE2 3.44Å; E753-Q772 PolarHBondContact OE2-NE2 2.93Å; E753-Q772 VanDerWaalsContact OE2-NE2 3.08Å
754	E	90.9	Very high	74.4	Confident	60 Å²	60	63.4 Å²	63.4	28%	0.28	32%	0.316	S	S	.	.			trans	-141.2	137.6	-171.1	-64	-178.1	141.5	0	0	110.7	T642 R756 T769 N770	T642-E754 CarbonylContact O-C 3.53Å; T642-E754 WeakPolarHBondContact O-CA 3.49Å; E754-R756 PolarHBondContact O-N 3.36Å; E754-R756 IonicContact OE2-CZ 2.65Å; E754-R756 IonicContact OE2-NE 2.88Å; E754-R756 IonicContact OE2-NH2 3.03Å; E754-R756 PolarHBondContact OE2-NH2 3.14Å; E754-T769 CarbonylContact O-C 3.56Å; E754-T769 WeakPolarHBondContact O-CA 3.31Å; E754-T769 VanDerWaalsContact O-CB 3.28Å; E754-T769 WeakPolarHBondContact O-CB 3.14Å; E754-N770 PolarHBondContact N-OD1 3.41Å; E754-N770 PolarHBondContact O-N 3.02Å
755	I	94	Very high	76.5	Confident	6 Å²	6	58 Å²	58	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.6	173.3	-52	178.7	0	0	0	109.2	H613 T642 L645 L684 I758 I767	H613-I755 PolarHBondContact NE2-O 2.99Å; T642-I755 PolarHBondContact O-N 2.93Å; L645-I755 HydrophobicContact CD1-CD1 4.44Å; L645-I755 HydrophobicContact CD2-CD1 3.67Å; L645-I755 HydrophobicContact CD2-CG2 4.43Å; L645-I755 HydrophobicContact CG-CD1 3.74Å; L684-I755 HydrophobicContact CB-CG1 4.36Å; L684-I755 HydrophobicContact CD2-CG1 3.82Å; I755-I758 HydrophobicContact CG2-CG2 3.97Å; I755-I767 HydrophobicContact CG1-CG2 4.44Å; I755-I767 HydrophobicContact CG2-CG2 3.95Å
756	R	92.6	Very high	78.8	Confident	119 Å²	119	53.3 Å²	53.3	45%	0.449	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-29.3	-175.8	-70.2	-70.8	167	144.4	-8.5	113.8	H613 E754 M768 N770	H613-R756 VanDerWaalsContact CE1-C 3.46Å; H613-R756 PolarHBondContact CE1-O 2.82Å; H613-R756 VanDerWaalsContact CE1-O 3.31Å; E754-R756 PolarHBondContact O-N 3.36Å; E754-R756 IonicContact OE2-CZ 2.65Å; E754-R756 IonicContact OE2-NE 2.88Å; E754-R756 IonicContact OE2-NH2 3.03Å; E754-R756 PolarHBondContact OE2-NH2 3.14Å; R756-M768 WeakPolarHBondContact CA-O 3.36Å; R756-M768 HydrophobicContact CB-CE 3.72Å; R756-M768 PolarHBondContact N-O 2.68Å; R756-N770 HydrophobicContact CG-CB 3.99Å
757	R	93.2	Very high	81.1	Confident	46 Å²	46	50.3 Å²	50.3	17%	0.174	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	146.5	170.5	-177.5	165.6	168.9	157.8	-11	110.5	M223 E759 M768 N1160	M223-R757 HydrophobicContact CE-CG 4.1Å; M223-R757 PolarHBondContact O-NE 2.9Å; M223-R757 PolarHBondContact O-NH1 3.27Å; M223-R757 PolarHBondContact O-NH2 2.75Å; M223-R757 VanDerWaalsContact O-NH2 3.16Å; R757-E759 IonicContact CZ-OE2 3.57Å; R757-E759 IonicContact NE-OE2 2.68Å; R757-E759 PolarHBondContact NE-OE2 3.18Å; R757-E759 IonicContact NH2-OE2 3.35Å; R757-E759 PolarHBondContact NH2-OE2 2.71Å; R757-M768 HydrophobicContact CB-CB 4.42Å; R757-M768 HydrophobicContact CB-CE 4.03Å; R757-M768 PolarHBondContact N-O 3.36Å; R757-M768 VanDerWaalsContact N-O 3.11Å; R757-M768 PolarHBondContact O-N 2.93Å; R757-N1160 PolarHBondContact NH2-OD1 2.87Å
758	I	94.7	Very high	83.4	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.1	164.2	62.9	178.1	0	0	0	110.2	H613 Q615 W638 L645 I755 L765 H766 I767	H613-I758 HydrophobicContact CB-CD1 3.82Å; H613-I758 HydrophobicContact CB-CG1 3.95Å; Q615-I758 HydrophobicContact CB-CD1 4.35Å; Q615-I758 HydrophobicContact CG-CD1 4.08Å; Q615-I758 HydrophobicContact CG-CG1 3.77Å; Q615-I758 PolarHBondContact NE2-O 2.99Å; W638-I758 HydrophobicContact CB-CD1 4.33Å; L645-I758 HydrophobicContact CD1-CG2 3.86Å; L645-I758 HydrophobicContact CD2-CD1 4.26Å; L645-I758 HydrophobicContact CD2-CG2 3.77Å; L645-I758 HydrophobicContact CG-CG2 4.49Å; I755-I758 HydrophobicContact CG2-CG2 3.97Å; I758-L765 HydrophobicContact CB-CD1 4.31Å; I758-H766 WeakPolarHBondContact CA-O 3.35Å; I758-I767 HydrophobicContact CG2-CG1 4.25Å; I758-I767 HydrophobicContact CG2-CG2 4.22Å
759	E	92.8	Very high	85.7	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	119.2	-179.9	-162.1	161.5	134.4	0	0	109.1	M223 I225 R757 H766 N1160	M223-E759 HydrophobicContact CE-CB 3.51Å; I225-E759 WeakPolarHBondContact CB-OE1 3.35Å; I225-E759 HydrophobicContact CD1-CB 4Å; I225-E759 HydrophobicContact CD1-CG 3.94Å; I225-E759 HydrophobicContact CG1-CG 4.38Å; I225-E759 WeakPolarHBondContact CG1-OE1 3.33Å; I225-E759 PolarHBondContact N-OE1 2.87Å; R757-E759 IonicContact CZ-OE2 3.57Å; R757-E759 IonicContact NE-OE2 2.68Å; R757-E759 PolarHBondContact NE-OE2 3.18Å; R757-E759 IonicContact NH2-OE2 3.35Å; R757-E759 PolarHBondContact NH2-OE2 2.71Å; E759-H766 PolarHBondContact N-O 2.85Å; E759-H766 WeakPolarHBondContact O-CA 2.95Å; E759-H766 WeakPolarHBondContact O-CB 3.05Å; E759-H766 PolarHBondContact O-N 2.88Å; E759-H766 PolarHBondContact O-ND1 2.94Å; E759-N1160 PolarHBondContact OE1-OD1 2.99Å
760	I	91.1	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	149.7	171.1	-60	175	0	0	0	107.2	Q615 Y617 Y764 L765 L778 T1158	Q615-I760 HydrophobicContact CB-CD1 3.91Å; Q615-I760 HydrophobicContact CB-CG1 4.23Å; Q615-I760 HydrophobicContact CG-CG1 4.5Å; Y617-I760 HydrophobicContact CD1-CD1 3.51Å; Y617-I760 HydrophobicContact CE1-CD1 3.59Å; I760-Y764 CarbonylContact C-O 3.4Å; I760-Y764 WeakPolarHBondContact CA-O 3.34Å; I760-L765 HydrophobicContact CG1-CD1 3.81Å; I760-L778 HydrophobicContact CD1-CD2 4.22Å; I760-L778 HydrophobicContact CG1-CD2 4.22Å; I760-L778 HydrophobicContact CG2-CD1 3.75Å; I760-L778 HydrophobicContact CG2-CD2 4.01Å; I760-L778 HydrophobicContact CG2-CG 4.35Å; I760-T1158 HydrophobicContact CB-CG2 3.68Å; I760-T1158 HydrophobicContact CG2-CG2 3.84Å; I760-T1158 WeakPolarHBondContact O-CB 3.1Å; I760-T1158 WeakPolarHBondContact O-CG2 3.49Å; I760-T1158 PolarHBondContact O-OG1 3.2Å
761	S	87.4	Confident	89.3	Confident	3 Å²	3	37 Å²	37	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	123.8	169.8	179.1	0	0	0	0	109.6	S763 Y764	S761-S763 PolarHBondContact O-N 2.68Å; S761-Y764 PolarHBondContact N-O 3.3Å; S761-Y764 PolarHBondContact O-N 2.97Å
762	A	81	Confident	90.7	Very high	39 Å²	39	31.4 Å²	31.4	32%	0.322	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	-107.4	-171.6	0	0	0	0	0	112	S1156	A762-S1156 PolarHBondContact O-OG 3.27Å
763	S	85.9	Confident	91.6	Very high	50 Å²	50	26.4 Å²	26.4	35%	0.35	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	12	-178.5	-51.5	0	0	0	0	114.1	S761 L778	S761-S763 PolarHBondContact O-N 2.68Å; S763-L778 WeakPolarHBondContact O-CG 3.22Å; S763-L778 PolarHBondContact O-N 2.85Å
764	Y	92	Very high	92	Very high	100 Å²	100	24.3 Å²	24.3	39%	0.392	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.2	-171.4	-62.8	-78.8	0	0	0	113.6	I760 S761 R775 L776 P777	I760-Y764 CarbonylContact C-O 3.4Å; I760-Y764 WeakPolarHBondContact CA-O 3.34Å; S761-Y764 PolarHBondContact N-O 3.3Å; S761-Y764 PolarHBondContact O-N 2.97Å; Y764-R775 HydrophobicContact CD1-CG 3.79Å; Y764-R775 HydrophobicContact CG-CG 3.92Å; Y764-L776 CarbonylContact C-O 3.45Å; Y764-L776 WeakPolarHBondContact CA-O 3.36Å; Y764-P777 HydrophobicContact CD1-CB 4.47Å; Y764-P777 HydrophobicContact CE1-CB 4.49Å
765	L	94.2	Very high	92.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.5	167.8	177.1	64.7	0	0	0	109.2	W638 L645 I758 I760 I767 R775 L776 L778	W638-L765 HydrophobicContact CD2-CD2 4.03Å; W638-L765 HydrophobicContact CE3-CD2 3.97Å; W638-L765 HydrophobicContact CH2-CD2 3.96Å; W638-L765 HydrophobicContact CZ2-CD2 4.02Å; W638-L765 HydrophobicContact CZ3-CD2 3.93Å; L645-L765 HydrophobicContact CD1-CD2 4.17Å; I758-L765 HydrophobicContact CB-CD1 4.31Å; I760-L765 HydrophobicContact CG1-CD1 3.81Å; L765-I767 HydrophobicContact CD2-CD1 4.07Å; L765-I767 HydrophobicContact CD2-CG1 4.25Å; L765-I767 HydrophobicContact CG-CD1 4.25Å; L765-I767 HydrophobicContact CG-CG1 3.96Å; L765-R775 WeakPolarHBondContact O-CA 3.44Å; L765-L776 PolarHBondContact N-O 3.2Å; L765-L776 PolarHBondContact O-N 2.93Å; L765-L778 HydrophobicContact CB-CD2 4Å
766	H	95.1	Very high	92.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.3	173.9	-57.4	78.9	0	0	0	109.7	M223 I225 I758 E759 F774 R775	M223-H766 HydrophobicContact CE-CB 4.38Å; I225-H766 HydrophobicContact CD1-CB 3.9Å; I225-H766 WeakPolarHBondContact CD1-ND1 3.38Å; I758-H766 WeakPolarHBondContact CA-O 3.35Å; E759-H766 PolarHBondContact N-O 2.85Å; E759-H766 WeakPolarHBondContact O-CA 2.95Å; E759-H766 WeakPolarHBondContact O-CB 3.05Å; E759-H766 PolarHBondContact O-N 2.88Å; E759-H766 PolarHBondContact O-ND1 2.94Å; H766-F774 CarbonylContact C-O 3.54Å; H766-F774 WeakPolarHBondContact CA-O 3.44Å; H766-R775 WeakPolarHBondContact NE2-CD 3.43Å
767	I	95.8	Very high	92.2	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	103.7	-172.8	-53	166.4	0	0	0	107.7	I198 L645 I755 I758 L765 F774 L776	I198-I767 HydrophobicContact CD1-CD1 3.69Å; L645-I767 HydrophobicContact CD1-CD1 3.47Å; L645-I767 VanDerWaalsContact CD1-CD1 3.47Å; L645-I767 HydrophobicContact CD1-CG1 3.76Å; L645-I767 HydrophobicContact CD1-CG2 4.25Å; I755-I767 HydrophobicContact CG1-CG2 4.44Å; I755-I767 HydrophobicContact CG2-CG2 3.95Å; I758-I767 HydrophobicContact CG2-CG1 4.25Å; I758-I767 HydrophobicContact CG2-CG2 4.22Å; L765-I767 HydrophobicContact CD2-CD1 4.07Å; L765-I767 HydrophobicContact CD2-CG1 4.25Å; L765-I767 HydrophobicContact CG-CD1 4.25Å; L765-I767 HydrophobicContact CG-CG1 3.96Å; I767-F774 HydrophobicContact CB-CB 4.33Å; I767-F774 PolarHBondContact N-O 2.66Å; I767-F774 PolarHBondContact O-N 2.99Å; I767-L776 HydrophobicContact CD1-CD1 3.84Å; I767-L776 HydrophobicContact CD1-CG 4.34Å
768	M	95.3	Very high	92.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.5	173.2	-177.5	-176.7	78.2	0	0	108.9	F220 M223 L234 R756 R757 L773	F220-M768 HydrophobicContact CB-CG 4.02Å; F220-M768 HydrophobicContact CB-SD 3.84Å; M223-M768 HydrophobicContact CB-CE 4.44Å; M223-M768 HydrophobicContact CB-SD 3.68Å; M223-M768 HydrophobicContact CE-CB 4.49Å; M223-M768 HydrophobicContact SD-CB 4.16Å; L234-M768 HydrophobicContact CD2-SD 4.07Å; R756-M768 WeakPolarHBondContact CA-O 3.36Å; R756-M768 HydrophobicContact CB-CE 3.72Å; R756-M768 PolarHBondContact N-O 2.68Å; R757-M768 HydrophobicContact CB-CB 4.42Å; R757-M768 HydrophobicContact CB-CE 4.03Å; R757-M768 PolarHBondContact N-O 3.36Å; R757-M768 VanDerWaalsContact N-O 3.11Å; R757-M768 PolarHBondContact O-N 2.93Å; M768-L773 HydrophobicContact CB-CD1 4.16Å
769	T	94.4	Very high	91.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	177	164.7	76.2	0	0	0	0	110	L684 E753 E754 K771 Q772 F774	L684-T769 HydrophobicContact CD1-CG2 3.81Å; L684-T769 HydrophobicContact CD2-CG2 3.64Å; L684-T769 HydrophobicContact CG-CG2 4.4Å; E753-T769 HydrophobicContact CG-CG2 4.32Å; E753-T769 WeakPolarHBondContact OE1-CB 3.35Å; E753-T769 PolarHBondContact OE1-OG1 3.42Å; E754-T769 CarbonylContact O-C 3.56Å; E754-T769 WeakPolarHBondContact O-CA 3.31Å; E754-T769 VanDerWaalsContact O-CB 3.28Å; E754-T769 WeakPolarHBondContact O-CB 3.14Å; T769-K771 PolarHBondContact O-N 2.93Å; T769-K771 PolarHBondContact OG1-N 3.47Å; T769-Q772 PolarHBondContact N-O 2.71Å; T769-Q772 PolarHBondContact OG1-N 2.81Å; T769-Q772 PolarHBondContact OG1-O 2.6Å; T769-F774 HydrophobicContact CG2-CD2 4.17Å; T769-F774 HydrophobicContact CG2-CE2 3.75Å
770	N	91.4	Very high	91.6	Very high	17 Å²	17	19.2 Å²	19.2	9%	0.091	10%	0.103	C	C	.	.	S	Bend	trans	-63.7	-16.7	168.6	58.2	-17	0	0	0	113.7	N218 N219 F220 K752 E753 E754 R756	N218-N770 CarbonylContact C-O 3.59Å; N218-N770 VanDerWaalsContact O-O 3.09Å; N219-N770 CarbonylContact C-O 3.52Å; N219-N770 WeakPolarHBondContact CA-O 3.24Å; N219-N770 PolarHBondContact N-O 2.99Å; F220-N770 PolarHBondContact N-O 3.04Å; K752-N770 PolarHBondContact O-ND2 2.85Å; K752-N770 VanDerWaalsContact O-ND2 3.07Å; E753-N770 VanDerWaalsContact CA-OD1 3.31Å; E753-N770 WeakPolarHBondContact CA-OD1 3.19Å; E753-N770 WeakPolarHBondContact CG-OD1 3.43Å; E754-N770 PolarHBondContact N-OD1 3.41Å; E754-N770 PolarHBondContact O-N 3.02Å; R756-N770 HydrophobicContact CG-CB 3.99Å
771	K	89.4	Confident	91.7	Very high	37 Å²	37	19.5 Å²	19.5	16%	0.161	11%	0.105	C	C	.	.	S	Bend	trans	-121.4	-23.1	-175.1	-58.2	-177.7	-163.3	165.4	0	115.8	F220 K751 E753 T769	F220-K771 VanDerWaalsContact CE2-C 3.45Å; F220-K771 VanDerWaalsContact CE2-O 3.27Å; F220-K771 WeakPolarHBondContact CE2-O 3.17Å; K751-K771 WeakPolarHBondContact O-CE 3.2Å; K751-K771 PolarHBondContact O-NZ 2.94Å; E753-K771 HydrophobicContact CB-CD 4.29Å; E753-K771 HydrophobicContact CG-CB 4.09Å; E753-K771 HydrophobicContact CG-CD 3.97Å; E753-K771 HydrophobicContact CG-CG 4.02Å; T769-K771 PolarHBondContact O-N 2.93Å; T769-K771 PolarHBondContact OG1-N 3.47Å
772	Q	91.6	Very high	91.7	Very high	19 Å²	19	23.9 Å²	23.9	9%	0.089	14%	0.135	C	C	.	.			trans	-144.6	159.6	-168.8	-62.8	-179.2	99.1	0	0	110.6	F210 R211 E753 T769 F774	F210-Q772 WeakPolarHBondContact O-CA 3.1Å; R211-Q772 HydrophobicContact CB-CG 4.25Å; R211-Q772 HydrophobicContact CG-CG 4.32Å; E753-Q772 PolarHBondContact OE1-NE2 3.44Å; E753-Q772 PolarHBondContact OE2-NE2 2.93Å; E753-Q772 VanDerWaalsContact OE2-NE2 3.08Å; T769-Q772 PolarHBondContact N-O 2.71Å; T769-Q772 PolarHBondContact OG1-N 2.81Å; T769-Q772 PolarHBondContact OG1-O 2.6Å; Q772-F774 HydrophobicContact CB-CD2 4.43Å; Q772-F774 HydrophobicContact CB-CE2 3.74Å; Q772-F774 HydrophobicContact CB-CZ 3.95Å
773	L	94.6	Very high	92	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	166.9	171.4	69.5	0	0	0	108.5	K209 F210 M223 I232 L234 L244 F249 M768	K209-L773 CarbonylContact C-O 3.44Å; K209-L773 VanDerWaalsContact CA-O 3.32Å; K209-L773 WeakPolarHBondContact CA-O 3.22Å; F210-L773 HydrophobicContact CB-CB 4.28Å; F210-L773 PolarHBondContact N-O 3.16Å; F210-L773 PolarHBondContact O-N 3.1Å; M223-L773 HydrophobicContact SD-CD1 3.66Å; I232-L773 HydrophobicContact CD1-CD2 4.28Å; I232-L773 HydrophobicContact CG2-CD2 4.22Å; L234-L773 HydrophobicContact CD1-CB 4.34Å; L234-L773 HydrophobicContact CD1-CD2 4.13Å; L234-L773 HydrophobicContact CD2-CD2 4.4Å; L244-L773 HydrophobicContact CD1-CD2 4.12Å; F249-L773 HydrophobicContact CD1-CD2 4.32Å; F249-L773 HydrophobicContact CE1-CD2 3.77Å; F249-L773 HydrophobicContact CE1-CG 4.31Å; F249-L773 HydrophobicContact CE2-CD2 4.19Å; F249-L773 HydrophobicContact CE2-CG 4.01Å; F249-L773 HydrophobicContact CZ-CD2 3.65Å; F249-L773 HydrophobicContact CZ-CG 3.67Å; M768-L773 HydrophobicContact CB-CD1 4.16Å
774	F	95.1	Very high	92.2	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.2	176.1	-56.5	-93.5	0	0	0	110.8	I198 I202 I208 K209 L684 H766 I767 T769 Q772	I198-F774 HydrophobicContact CD1-CB 3.71Å; I198-F774 HydrophobicContact CD1-CD1 3.91Å; I198-F774 HydrophobicContact CD1-CD2 3.72Å; I198-F774 HydrophobicContact CD1-CE1 4.43Å; I198-F774 HydrophobicContact CD1-CE2 4.27Å; I198-F774 HydrophobicContact CD1-CG 3.51Å; I198-F774 HydrophobicContact CG1-CB 4.44Å; I198-F774 HydrophobicContact CG1-CD1 3.98Å; I198-F774 HydrophobicContact CG1-CE1 4.33Å; I198-F774 HydrophobicContact CG1-CG 4.11Å; I198-F774 HydrophobicContact CG2-CE1 4.46Å; I198-F774 HydrophobicContact CG2-CZ 4.35Å; I202-F774 HydrophobicContact CD1-CD1 4.05Å; I202-F774 HydrophobicContact CG1-CD1 3.86Å; I202-F774 HydrophobicContact CG1-CE1 4.13Å; I208-F774 CarbonylContact O-C 3.55Å; I208-F774 WeakPolarHBondContact O-CA 3.22Å; K209-F774 HydrophobicContact CB-CD1 3.69Å; K209-F774 HydrophobicContact CB-CE1 3.84Å; L684-F774 HydrophobicContact CD1-CE2 4.22Å; L684-F774 HydrophobicContact CD1-CZ 4.49Å; H766-F774 CarbonylContact C-O 3.54Å; H766-F774 WeakPolarHBondContact CA-O 3.44Å; I767-F774 HydrophobicContact CB-CB 4.33Å; I767-F774 PolarHBondContact N-O 2.66Å; I767-F774 PolarHBondContact O-N 2.99Å; T769-F774 HydrophobicContact CG2-CD2 4.17Å; T769-F774 HydrophobicContact CG2-CE2 3.75Å; Q772-F774 HydrophobicContact CB-CD2 4.43Å; Q772-F774 HydrophobicContact CB-CE2 3.74Å; Q772-F774 HydrophobicContact CB-CZ 3.95Å
775	R	94.7	Very high	92	Very high	21 Å²	21	28.9 Å²	28.9	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.6	164.9	-171	-179	76.5	-120.3	-2	110.2	G207 I208 M246 R247 F249 Y764 L765 H766	G207-R775 CarbonylContact C-O 3.6Å; G207-R775 WeakPolarHBondContact CA-O 3.3Å; I208-R775 PolarHBondContact N-O 3.2Å; I208-R775 VanDerWaalsContact N-O 3.07Å; I208-R775 PolarHBondContact O-N 3.48Å; M246-R775 PolarHBondContact O-NH1 2.7Å; R247-R775 VanDerWaalsContact C-NH1 3.27Å; R247-R775 VanDerWaalsContact O-CZ 3.25Å; R247-R775 PolarHBondContact O-NH1 2.63Å; R247-R775 PolarHBondContact O-NH2 2.74Å; F249-R775 HydrophobicContact CE1-CB 4.18Å; F249-R775 HydrophobicContact CE2-CB 4.09Å; F249-R775 HydrophobicContact CZ-CB 3.53Å; Y764-R775 HydrophobicContact CD1-CG 3.79Å; Y764-R775 HydrophobicContact CG-CG 3.92Å; L765-R775 WeakPolarHBondContact O-CA 3.44Å; H766-R775 WeakPolarHBondContact NE2-CD 3.43Å
776	L	94.1	Very high	91.8	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.5	172.8	-56.1	178.5	0	0	0	109.8	I198 L201 I202 I682 Y764 L765 I767	I198-L776 HydrophobicContact CD1-CD1 4.42Å; I198-L776 HydrophobicContact CG1-CD1 4.38Å; L201-L776 HydrophobicContact CB-CD2 4.15Å; L201-L776 HydrophobicContact CD1-CD1 3.86Å; L201-L776 HydrophobicContact CD1-CD2 4.1Å; I202-L776 HydrophobicContact CD1-CD2 4.47Å; I682-L776 HydrophobicContact CD1-CD1 3.83Å; I682-L776 HydrophobicContact CG2-CD1 4.5Å; Y764-L776 CarbonylContact C-O 3.45Å; Y764-L776 WeakPolarHBondContact CA-O 3.36Å; L765-L776 PolarHBondContact N-O 3.2Å; L765-L776 PolarHBondContact O-N 2.93Å; I767-L776 HydrophobicContact CD1-CD1 3.84Å; I767-L776 HydrophobicContact CD1-CG 4.34Å
777	P	93.1	Very high	91.5	Very high	35 Å²	35	35.1 Å²	35.1	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.6	167.7	29.1	-34.5	0	0	0	110.5	I206 Y764 T779 R780	I206-P777 HydrophobicContact CG2-CG 4.15Å; I206-P777 WeakPolarHBondContact O-CD 3.47Å; Y764-P777 HydrophobicContact CD1-CB 4.47Å; Y764-P777 HydrophobicContact CE1-CB 4.49Å; P777-T779 PolarHBondContact O-N 2.94Å; P777-R780 HydrophobicContact CG-CG 3.79Å
778	L	89.7	Confident	91.1	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	21%	0.205	C	C	.	.	S	Bend	trans	-64.1	-28.6	176	-71.3	172.2	0	0	0	112.8	Y617 I760 S763 L765	Y617-L778 HydrophobicContact CE1-CD2 4.24Å; I760-L778 HydrophobicContact CD1-CD2 4.22Å; I760-L778 HydrophobicContact CG1-CD2 4.22Å; I760-L778 HydrophobicContact CG2-CD1 3.75Å; I760-L778 HydrophobicContact CG2-CD2 4.01Å; I760-L778 HydrophobicContact CG2-CG 4.35Å; S763-L778 WeakPolarHBondContact O-CG 3.22Å; S763-L778 PolarHBondContact O-N 2.85Å; L765-L778 HydrophobicContact CB-CD2 4Å
779	T	88.9	Confident	90.8	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.202	21%	0.21	C	C	.	.			trans	-131.1	130	-169.6	67.2	0	0	0	0	110.2	P777 H797	P777-T779 PolarHBondContact O-N 2.94Å; T779-H797 HydrophobicContact CG2-CB 3.55Å; T779-H797 WeakPolarHBondContact CG2-CD2 3.11Å; T779-H797 VanDerWaalsContact CG2-CG 3.48Å
780	R	90	Very high	90.6	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.087	21%	0.21	C	C	.	.			trans	-129.2	41.5	-179.9	-65.7	179.1	-69.9	135.6	-3.5	112.1	E196 I206 P777 S782 E783	E196-R780 IonicContact OE1-CZ 2.64Å; E196-R780 VanDerWaalsContact OE1-CZ 3.24Å; E196-R780 IonicContact OE1-NH1 3.63Å; E196-R780 PolarHBondContact OE1-NH1 2.84Å; E196-R780 IonicContact OE1-NH2 2.69Å; E196-R780 PolarHBondContact OE1-NH2 2.84Å; E196-R780 IonicContact OE2-CZ 2.79Å; E196-R780 IonicContact OE2-NH1 2.95Å; E196-R780 IonicContact OE2-NH2 3.58Å; E196-R780 PolarHBondContact OE2-NH2 3.46Å; I206-R780 VanDerWaalsContact CG2-CD 3.42Å; I206-R780 HydrophobicContact CG2-CG 4.36Å; P777-R780 HydrophobicContact CG-CG 3.79Å; R780-S782 PolarHBondContact O-N 2.81Å; R780-E783 VanDerWaalsContact CB-CD 3.49Å; R780-E783 HydrophobicContact CB-CG 4.09Å; R780-E783 VanDerWaalsContact CB-OE2 3.24Å; R780-E783 WeakPolarHBondContact CB-OE2 3.4Å; R780-E783 WeakPolarHBondContact CD-OE1 3.42Å; R780-E783 IonicContact CZ-OE1 3.39Å; R780-E783 IonicContact CZ-OE2 3.24Å; R780-E783 IonicContact NE-OE1 3.6Å; R780-E783 IonicContact NE-OE2 3.25Å; R780-E783 IonicContact NH1-OE1 2.64Å; R780-E783 PolarHBondContact NH1-OE1 2.75Å; R780-E783 IonicContact NH1-OE2 2.7Å; R780-E783 PolarHBondContact NH1-OE2 3.25Å; R780-E783 WeakPolarHBondContact O-CB 3.27Å; R780-E783 WeakPolarHBondContact O-CG 3.45Å; R780-E783 PolarHBondContact O-N 3.38Å
781	C	91.8	Very high	90.4	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.041	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54.4	-29.3	-172.5	-53.3	0	0	0	0	114	E783 Y784 C798 C807	C781-E783 PolarHBondContact O-N 2.75Å; C781-E783 VanDerWaalsContact O-N 3.12Å; C781-Y784 WeakPolarHBondContact O-CD2 3.27Å; C781-Y784 PolarHBondContact O-N 2.92Å; C781-C798 WeakPolarHBondContact CA-SG 3.27Å; C781-C798 HydrophobicContact CB-CB 3.68Å; C781-C798 WeakPolarHBondContact CB-SG 3.47Å; C781-C798 WeakPolarHBondContact SG-CA 3.31Å; C781-C798 WeakPolarHBondContact SG-CB 3.38Å; C781-C798 CovalentContact SG-SG 2.04Å; C781-C798 PolarHBondContact SG-SG 2.78Å; C781-C807 CarbonylContact C-O 3.57Å; C781-C807 VanDerWaalsContact O-CB 3.26Å; C781-C807 WeakPolarHBondContact O-CB 3.38Å
782	S	88.5	Confident	90.3	Very high	95 Å²	95	43.7 Å²	43.7	66%	0.664	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-63	-10	175.1	51.5	0	0	0	0	115.3	R780 Y784	R780-S782 PolarHBondContact O-N 2.81Å; S782-Y784 VanDerWaalsContact C-N 3.3Å
783	E	87.4	Confident	90.2	Very high	77 Å²	77	43.4 Å²	43.4	36%	0.36	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-72.4	-26	171.5	-66.8	173.5	158.4	0	0	111.8	R780 C781 Q785	R780-E783 VanDerWaalsContact CB-CD 3.49Å; R780-E783 HydrophobicContact CB-CG 4.09Å; R780-E783 VanDerWaalsContact CB-OE2 3.24Å; R780-E783 WeakPolarHBondContact CB-OE2 3.4Å; R780-E783 WeakPolarHBondContact CD-OE1 3.42Å; R780-E783 IonicContact CZ-OE1 3.39Å; R780-E783 IonicContact CZ-OE2 3.24Å; R780-E783 IonicContact NE-OE1 3.6Å; R780-E783 IonicContact NE-OE2 3.25Å; R780-E783 IonicContact NH1-OE1 2.64Å; R780-E783 PolarHBondContact NH1-OE1 2.75Å; R780-E783 IonicContact NH1-OE2 2.7Å; R780-E783 PolarHBondContact NH1-OE2 3.25Å; R780-E783 WeakPolarHBondContact O-CB 3.27Å; R780-E783 WeakPolarHBondContact O-CG 3.45Å; R780-E783 PolarHBondContact O-N 3.38Å; C781-E783 PolarHBondContact O-N 2.75Å; C781-E783 VanDerWaalsContact O-N 3.12Å; E783-Q785 PolarHBondContact O-N 3.32Å
784	Y	89.9	Confident	89.9	Confident	56 Å²	56	45.7 Å²	45.7	22%	0.22	24%	0.238	C	C	.	.			trans	-85.7	96.5	176	-48.6	-60.5	0	0	0	110.1	C781 S782 S793 C807	C781-Y784 WeakPolarHBondContact O-CD2 3.27Å; C781-Y784 PolarHBondContact O-N 2.92Å; S782-Y784 VanDerWaalsContact C-N 3.3Å; Y784-S793 VanDerWaalsContact CE1-CB 3.46Å; Y784-C807 WeakPolarHBondContact O-CB 3.5Å
785	Q	87.9	Confident	89.7	Confident	162 Å²	162	45.6 Å²	45.6	76%	0.757	24%	0.238	S	C	*	.			trans	-76.4	-33.7	-169.2	-62	-177.9	15.9	0	0	113.7	E783	E783-Q785 PolarHBondContact O-N 3.32Å
786	T	89.4	Confident	89.5	Confident	62 Å²	62	45 Å²	45	38%	0.38	24%	0.237	S	C	.	.	S	Bend	trans	-102.4	162.6	179.3	74.9	0	0	0	0	112.8	D788 D789 C790 W800	T786-D788 VanDerWaalsContact C-N 3.29Å; T786-D788 PolarHBondContact O-N 3.34Å; T786-D789 WeakPolarHBondContact CB-OD2 3.4Å; T786-D789 WeakPolarHBondContact CG2-OD2 3.47Å; T786-D789 PolarHBondContact N-OD2 2.83Å; T786-D789 VanDerWaalsContact N-OD2 3.16Å; T786-D789 PolarHBondContact O-N 2.93Å; T786-D789 PolarHBondContact OG1-N 3.22Å; T786-D789 VanDerWaalsContact OG1-N 3.09Å; T786-D789 PolarHBondContact OG1-OD2 2.95Å; T786-C790 VanDerWaalsContact O-CB 3.3Å; T786-C790 WeakPolarHBondContact O-CB 3.44Å; T786-C790 PolarHBondContact O-N 2.91Å; T786-W800 WeakPolarHBondContact O-CZ3 3.45Å
787	F	88.4	Confident	89.2	Confident	70 Å²	70	44.9 Å²	44.9	31%	0.307	24%	0.236	S	C	.	.	H	α-helix	trans	-54.5	-46.1	172.1	175.4	-100.2	0	0	0	111.6	C790 L791 W800 W802	F787-C790 WeakPolarHBondContact O-CB 3.04Å; F787-C790 PolarHBondContact O-N 3.32Å; F787-L791 HydrophobicContact CD1-CD1 4.34Å; F787-L791 HydrophobicContact CD2-CD1 4.48Å; F787-L791 HydrophobicContact CE1-CD1 3.64Å; F787-L791 HydrophobicContact CE1-CG 4.47Å; F787-L791 HydrophobicContact CE2-CD1 3.79Å; F787-L791 HydrophobicContact CE2-CG 4.27Å; F787-L791 HydrophobicContact CZ-CD1 3.33Å; F787-L791 HydrophobicContact CZ-CG 4.24Å; F787-L791 WeakPolarHBondContact O-CG 3.36Å; F787-L791 PolarHBondContact O-N 2.9Å; F787-W800 HydrophobicContact CB-CD2 4.17Å; F787-W800 HydrophobicContact CB-CE3 4.35Å; F787-W800 HydrophobicContact CB-CZ2 4.48Å; F787-W800 HydrophobicContact CD2-CB 3.86Å; F787-W800 AromaticContact CD2-CD1 3.72Å; F787-W800 HydrophobicContact CD2-CD2 4.03Å; F787-W800 AromaticContact CD2-CG 3.58Å; F787-W800 HydrophobicContact CD2-CG 3.58Å; F787-W800 HydrophobicContact CE2-CB 4.24Å; F787-W800 HydrophobicContact CE2-CG 4.3Å; F787-W802 AromaticContact CD2-CH2 3.95Å; F787-W802 HydrophobicContact CD2-CH2 3.95Å; F787-W802 HydrophobicContact CD2-CZ2 4.02Å; F787-W802 AromaticContact CE2-CH2 3.65Å; F787-W802 HydrophobicContact CE2-CH2 3.65Å; F787-W802 AromaticContact CE2-CZ2 3.38Å; F787-W802 HydrophobicContact CE2-CZ2 3.38Å; F787-W802 HydrophobicContact CZ-CH2 4.24Å; F787-W802 HydrophobicContact CZ-CZ2 4.09Å
788	D	88.4	Confident	89.1	Confident	96 Å²	96	43.2 Å²	43.2	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-68.1	-42.4	-179.5	-62.4	-52.4	0	0	0	111.6	T786 C790 L791 N792	T786-D788 VanDerWaalsContact C-N 3.29Å; T786-D788 PolarHBondContact O-N 3.34Å; D788-C790 VanDerWaalsContact C-N 3.3Å; D788-C790 PolarHBondContact O-N 3.43Å; D788-L791 PolarHBondContact O-N 3.36Å; D788-N792 WeakPolarHBondContact O-CB 3.47Å; D788-N792 PolarHBondContact O-N 2.85Å; D788-N792 PolarHBondContact O-ND2 2.63Å
789	D	88.5	Confident	89	Confident	25 Å²	25	42.7 Å²	42.7	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-45.1	173.5	-59	-46.6	0	0	0	110.9	T786 L791 N792 S793 F846	T786-D789 WeakPolarHBondContact CB-OD2 3.4Å; T786-D789 WeakPolarHBondContact CG2-OD2 3.47Å; T786-D789 PolarHBondContact N-OD2 2.83Å; T786-D789 VanDerWaalsContact N-OD2 3.16Å; T786-D789 PolarHBondContact O-N 2.93Å; T786-D789 PolarHBondContact OG1-N 3.22Å; T786-D789 VanDerWaalsContact OG1-N 3.09Å; T786-D789 PolarHBondContact OG1-OD2 2.95Å; D789-L791 PolarHBondContact O-N 3.11Å; D789-N792 PolarHBondContact O-N 2.9Å; D789-S793 WeakPolarHBondContact O-CB 3.39Å; D789-S793 PolarHBondContact O-N 3.15Å; D789-F846 WeakPolarHBondContact OD1-CZ 3.48Å
790	C	89.7	Confident	89	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-44.4	-178.4	-172.4	0	0	0	0	111.8	T786 F787 D788 S793 G799 W800 C807 S828	T786-C790 VanDerWaalsContact O-CB 3.3Å; T786-C790 WeakPolarHBondContact O-CB 3.44Å; T786-C790 PolarHBondContact O-N 2.91Å; F787-C790 WeakPolarHBondContact O-CB 3.04Å; F787-C790 PolarHBondContact O-N 3.32Å; D788-C790 VanDerWaalsContact C-N 3.3Å; D788-C790 PolarHBondContact O-N 3.43Å; C790-S793 PolarHBondContact O-OG 3.3Å; C790-G799 PolarHBondContact SG-O 3.3Å; C790-W800 HydrophobicContact CB-CE3 3.88Å; C790-W800 PolarHBondContact SG-N 3.05Å; C790-C807 HydrophobicContact CB-CB 3.52Å; C790-C807 WeakPolarHBondContact CB-SG 3.34Å; C790-C807 WeakPolarHBondContact SG-CB 3.24Å; C790-C807 CovalentContact SG-SG 2.03Å; C790-C807 PolarHBondContact SG-SG 3.44Å; C790-S828 WeakPolarHBondContact O-CB 3.37Å; C790-S828 PolarHBondContact O-OG 2.85Å
791	L	87.9	Confident	88.8	Confident	38 Å²	38	41.4 Å²	41.4	20%	0.199	21%	0.214	C	C	.	.	H	α-helix	trans	-77	-28.6	176.8	-64.2	-166.5	0	0	0	113.2	F787 D788 D789 K794 S828	F787-L791 HydrophobicContact CD1-CD1 4.34Å; F787-L791 HydrophobicContact CD2-CD1 4.48Å; F787-L791 HydrophobicContact CE1-CD1 3.64Å; F787-L791 HydrophobicContact CE1-CG 4.47Å; F787-L791 HydrophobicContact CE2-CD1 3.79Å; F787-L791 HydrophobicContact CE2-CG 4.27Å; F787-L791 HydrophobicContact CZ-CD1 3.33Å; F787-L791 HydrophobicContact CZ-CG 4.24Å; F787-L791 WeakPolarHBondContact O-CG 3.36Å; F787-L791 PolarHBondContact O-N 2.9Å; D788-L791 PolarHBondContact O-N 3.36Å; D789-L791 PolarHBondContact O-N 3.11Å; L791-K794 VanDerWaalsContact O-CD 3.31Å; L791-K794 WeakPolarHBondContact O-CD 3.42Å; L791-K794 WeakPolarHBondContact O-CE 3.46Å; L791-K794 PolarHBondContact O-NZ 3.34Å; L791-S828 PolarHBondContact O-OG 3.33Å
792	N	87.4	Confident	88.3	Confident	78 Å²	78	47.3 Å²	47.3	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-83	-17.9	178	-69.1	-38.2	0	0	0	113.3	D788 D789 K794	D788-N792 WeakPolarHBondContact O-CB 3.47Å; D788-N792 PolarHBondContact O-N 2.85Å; D788-N792 PolarHBondContact O-ND2 2.63Å; D789-N792 PolarHBondContact O-N 2.9Å; N792-K794 PolarHBondContact O-N 2.88Å
793	S	88.4	Confident	87.8	Confident	14 Å²	14	47.1 Å²	47.1	10%	0.098	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.8	174.5	70.8	0	0	0	0	114.1	Y784 D789 C790 D795 S828 P840	Y784-S793 VanDerWaalsContact CE1-CB 3.46Å; D789-S793 WeakPolarHBondContact O-CB 3.39Å; D789-S793 PolarHBondContact O-N 3.15Å; C790-S793 PolarHBondContact O-OG 3.3Å; S793-D795 PolarHBondContact O-N 2.64Å; S793-D795 PolarHBondContact OG-N 2.81Å; S793-S828 PolarHBondContact OG-OG 3.5Å; S793-P840 VanDerWaalsContact O-CG 3.3Å; S793-P840 WeakPolarHBondContact O-CG 3.24Å
794	K	88.7	Confident	87.6	Confident	47 Å²	47	47.9 Å²	47.9	20%	0.204	24%	0.238	C	C	.	.			trans	41.5	37.5	-171.9	-53.4	-58.2	179.8	-155.9	0	113.1	L679 L791 N792 S828 I829 Q838 P840	L679-K794 WeakPolarHBondContact CD2-O 3.15Å; L791-K794 VanDerWaalsContact O-CD 3.31Å; L791-K794 WeakPolarHBondContact O-CD 3.42Å; L791-K794 WeakPolarHBondContact O-CE 3.46Å; L791-K794 PolarHBondContact O-NZ 3.34Å; N792-K794 PolarHBondContact O-N 2.88Å; K794-S828 WeakPolarHBondContact CA-OG 3.45Å; K794-S828 WeakPolarHBondContact CD-O 3.49Å; K794-S828 PolarHBondContact N-OG 2.81Å; K794-S828 VanDerWaalsContact N-OG 3.11Å; K794-S828 PolarHBondContact NZ-O 2.8Å; K794-I829 HydrophobicContact CB-CD1 4.35Å; K794-I829 HydrophobicContact CD-CG1 4.32Å; K794-I829 WeakPolarHBondContact O-CD1 2.92Å; K794-Q838 WeakPolarHBondContact CG-O 3.07Å; K794-P840 HydrophobicContact CB-CG 4.07Å
795	D	90.4	Very high	87.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.251	C	S	.	.			trans	-90.2	113.1	171	-164.7	-35.4	0	0	0	108.2	L679 K680 S793 H797 C798	L679-D795 HydrophobicContact CD1-CB 4.41Å; K680-D795 IonicContact NZ-OD2 3.55Å; K680-D795 PolarHBondContact NZ-OD2 3.26Å; S793-D795 PolarHBondContact O-N 2.64Å; S793-D795 PolarHBondContact OG-N 2.81Å; D795-H797 PolarHBondContact O-N 3.16Å; D795-H797 VanDerWaalsContact O-N 3.1Å; D795-H797 IonicContact OD1-CE1 3.51Å; D795-H797 IonicContact OD1-CG 2.83Å; D795-H797 PolarHBondContact OD1-N 3.47Å; D795-H797 IonicContact OD1-ND1 3.46Å; D795-H797 PolarHBondContact OD1-ND1 3.11Å; D795-C798 HydrophobicContact CB-CB 4.37Å; D795-C798 PolarHBondContact O-N 2.89Å
796	P	90.5	Very high	87.5	Confident	8 Å²	8	46 Å²	46	5%	0.052	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.8	-173.7	29.3	-38.3	0	0	0	114	L619 T634 I636 V649 I829	L619-P796 HydrophobicContact CD1-CB 3.78Å; L619-P796 HydrophobicContact CD1-CG 3.74Å; T634-P796 HydrophobicContact CG2-CB 3.84Å; T634-P796 HydrophobicContact CG2-CG 4.04Å; I636-P796 HydrophobicContact CD1-CG 3.6Å; V649-P796 HydrophobicContact CG1-CG 3.99Å; V649-P796 HydrophobicContact CG2-CG 3.81Å; P796-I829 HydrophobicContact CB-CD1 3.92Å
797	H	88.5	Confident	87.6	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.019	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.2	170.3	-56.3	91.7	0	0	0	112	Y617 T779 D795 S809 G810	Y617-H797 AromaticContact CE2-NE2 3.47Å; Y617-H797 WeakPolarHBondContact CE2-NE2 3.47Å; Y617-H797 AromaticContact CZ-NE2 3.53Å; Y617-H797 PolarHBondContact OH-CE1 2.72Å; Y617-H797 VanDerWaalsContact OH-CE1 3.29Å; Y617-H797 PolarHBondContact OH-NE2 3.41Å; T779-H797 HydrophobicContact CG2-CB 3.55Å; T779-H797 WeakPolarHBondContact CG2-CD2 3.11Å; T779-H797 VanDerWaalsContact CG2-CG 3.48Å; D795-H797 PolarHBondContact O-N 3.16Å; D795-H797 VanDerWaalsContact O-N 3.1Å; D795-H797 IonicContact OD1-CE1 3.51Å; D795-H797 IonicContact OD1-CG 2.83Å; D795-H797 PolarHBondContact OD1-N 3.47Å; D795-H797 IonicContact OD1-ND1 3.46Å; D795-H797 PolarHBondContact OD1-ND1 3.11Å; H797-S809 VanDerWaalsContact O-CA 3.27Å; H797-S809 WeakPolarHBondContact O-CA 2.98Å; H797-S809 PolarHBondContact O-OG 2.9Å; H797-G810 PolarHBondContact O-N 3.32Å
798	C	90.8	Very high	87.7	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	156.3	-160.5	-57.7	0	0	0	0	113.6	C781 D795 S808 S828	C781-C798 WeakPolarHBondContact CA-SG 3.27Å; C781-C798 HydrophobicContact CB-CB 3.68Å; C781-C798 WeakPolarHBondContact CB-SG 3.47Å; C781-C798 WeakPolarHBondContact SG-CA 3.31Å; C781-C798 WeakPolarHBondContact SG-CB 3.38Å; C781-C798 CovalentContact SG-SG 2.04Å; C781-C798 PolarHBondContact SG-SG 2.78Å; D795-C798 HydrophobicContact CB-CB 4.37Å; D795-C798 PolarHBondContact O-N 2.89Å; C798-S808 WeakPolarHBondContact CA-O 3.45Å; C798-S828 VanDerWaalsContact O-CB 3.27Å; C798-S828 WeakPolarHBondContact O-CB 3.33Å; C798-S828 PolarHBondContact O-N 2.68Å
799	G	88.3	Confident	87.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	165.2	173	0	0	0	0	0	111.2	C790 N801 C807 S808 F825 S826	C790-G799 PolarHBondContact SG-O 3.3Å; G799-N801 PolarHBondContact O-N 3.23Å; G799-C807 WeakPolarHBondContact O-CA 3.27Å; G799-S808 PolarHBondContact N-O 3.34Å; G799-S808 PolarHBondContact O-N 3.14Å; G799-F825 VanDerWaalsContact C-CE2 3.49Å; G799-F825 WeakPolarHBondContact O-CE2 3.34Å; G799-S826 CarbonylContact C-O 3.56Å; G799-S826 WeakPolarHBondContact CA-O 3.39Å
800	W	87.8	Confident	87.2	Confident	27 Å²	27	35.4 Å²	35.4	10%	0.102	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.8	-178.1	-169.7	-103.8	0	0	0	110.4	T786 F787 C790 W802 G805 C807 F825 S826	T786-W800 WeakPolarHBondContact O-CZ3 3.45Å; F787-W800 HydrophobicContact CB-CD2 4.17Å; F787-W800 HydrophobicContact CB-CE3 4.35Å; F787-W800 HydrophobicContact CB-CZ2 4.48Å; F787-W800 HydrophobicContact CD2-CB 3.86Å; F787-W800 AromaticContact CD2-CD1 3.72Å; F787-W800 HydrophobicContact CD2-CD2 4.03Å; F787-W800 AromaticContact CD2-CG 3.58Å; F787-W800 HydrophobicContact CD2-CG 3.58Å; F787-W800 HydrophobicContact CE2-CB 4.24Å; F787-W800 HydrophobicContact CE2-CG 4.3Å; C790-W800 HydrophobicContact CB-CE3 3.88Å; C790-W800 PolarHBondContact SG-N 3.05Å; W800-W802 AromaticContact CD1-CD2 3.6Å; W800-W802 AromaticContact CD1-CE2 3.76Å; W800-W802 AromaticContact CD1-CE3 3.82Å; W800-W802 AromaticContact NE1-CE3 3.77Å; W800-G805 VanDerWaalsContact CH2-O 3.24Å; W800-G805 WeakPolarHBondContact CH2-O 3.36Å; W800-G805 VanDerWaalsContact CZ2-O 3.27Å; W800-G805 WeakPolarHBondContact CZ2-O 3.33Å; W800-C807 HydrophobicContact CE3-CB 4.14Å; W800-C807 HydrophobicContact CZ3-CB 4.38Å; W800-F825 WeakPolarHBondContact O-CA 3.34Å; W800-S826 PolarHBondContact N-O 2.75Å; W800-S826 PolarHBondContact O-N 3.45Å
801	N	85.9	Confident	86.7	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.5	172.1	-173.2	-0.5	0	0	0	109.9	G799 S803 E804 G805 R806 F813 T824 F825	G799-N801 PolarHBondContact O-N 3.23Å; N801-S803 VanDerWaalsContact C-N 3.29Å; N801-S803 PolarHBondContact O-N 2.9Å; N801-S803 PolarHBondContact OD1-N 2.86Å; N801-S803 VanDerWaalsContact OD1-N 3.14Å; N801-S803 PolarHBondContact OD1-OG 3.31Å; N801-E804 HydrophobicContact CB-CB 4.28Å; N801-E804 WeakPolarHBondContact ND2-CG 3.46Å; N801-E804 PolarHBondContact ND2-OE2 3.34Å; N801-E804 PolarHBondContact O-N 2.99Å; N801-G805 PolarHBondContact O-N 2.94Å; N801-R806 WeakPolarHBondContact CB-O 3.48Å; N801-R806 PolarHBondContact N-O 3.17Å; N801-R806 PolarHBondContact O-N 2.84Å; N801-F813 HydrophobicContact CB-CZ 4.08Å; N801-F813 WeakPolarHBondContact ND2-CZ 3.39Å; N801-T824 WeakPolarHBondContact CA-O 3.26Å; N801-T824 PolarHBondContact OD1-O 3.39Å; N801-F825 HydrophobicContact CB-CD2 4.31Å
802	W	82.5	Confident	85.7	Confident	129 Å²	129	41 Å²	41	49%	0.489	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.9	-179.4	-64.8	99.8	0	0	0	113.2	F787 W800 T824 S826	F787-W802 AromaticContact CD2-CH2 3.95Å; F787-W802 HydrophobicContact CD2-CH2 3.95Å; F787-W802 HydrophobicContact CD2-CZ2 4.02Å; F787-W802 AromaticContact CE2-CH2 3.65Å; F787-W802 HydrophobicContact CE2-CH2 3.65Å; F787-W802 AromaticContact CE2-CZ2 3.38Å; F787-W802 HydrophobicContact CE2-CZ2 3.38Å; F787-W802 HydrophobicContact CZ-CH2 4.24Å; F787-W802 HydrophobicContact CZ-CZ2 4.09Å; W800-W802 AromaticContact CD1-CD2 3.6Å; W800-W802 AromaticContact CD1-CE2 3.76Å; W800-W802 AromaticContact CD1-CE3 3.82Å; W800-W802 AromaticContact NE1-CE3 3.77Å; W802-T824 PolarHBondContact N-O 3.46Å; W802-S826 PolarHBondContact NE1-OG 3.33Å
803	S	77.9	Confident	84.3	Confident	91 Å²	91	40.1 Å²	40.1	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-24.3	178.5	71.5	0	0	0	0	113.5	N801	N801-S803 VanDerWaalsContact C-N 3.29Å; N801-S803 PolarHBondContact O-N 2.9Å; N801-S803 PolarHBondContact OD1-N 2.86Å; N801-S803 VanDerWaalsContact OD1-N 3.14Å; N801-S803 PolarHBondContact OD1-OG 3.31Å
804	E	82.9	Confident	82.6	Confident	93 Å²	93	46.7 Å²	46.7	44%	0.435	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-10.2	177.5	-68.3	179.4	142.2	0	0	113.3	N801 R806	N801-E804 HydrophobicContact CB-CB 4.28Å; N801-E804 WeakPolarHBondContact ND2-CG 3.46Å; N801-E804 PolarHBondContact ND2-OE2 3.34Å; N801-E804 PolarHBondContact O-N 2.99Å; E804-R806 VanDerWaalsContact C-N 3.28Å; E804-R806 HydrophobicContact CB-CG 3.75Å; E804-R806 PolarHBondContact O-N 2.72Å; E804-R806 IonicContact OE1-CZ 2.65Å; E804-R806 IonicContact OE1-NE 3.26Å; E804-R806 IonicContact OE1-NH2 3.67Å; E804-R806 PolarHBondContact OE1-NH2 3.37Å; E804-R806 IonicContact OE2-CZ 2.85Å; E804-R806 IonicContact OE2-NE 2.81Å; E804-R806 PolarHBondContact OE2-NE 3.31Å; E804-R806 IonicContact OE2-NH2 2.72Å; E804-R806 PolarHBondContact OE2-NH2 3.04Å
805	G	85.6	Confident	80.7	Confident	48 Å²	48	47.4 Å²	47.4	50%	0.495	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	28.8	-177.2	0	0	0	0	0	114.1	W800 N801	W800-G805 VanDerWaalsContact CH2-O 3.24Å; W800-G805 WeakPolarHBondContact CH2-O 3.36Å; W800-G805 VanDerWaalsContact CZ2-O 3.27Å; W800-G805 WeakPolarHBondContact CZ2-O 3.33Å; N801-G805 PolarHBondContact O-N 2.94Å
806	R	89.9	Confident	78.4	Confident	131 Å²	131	52.5 Å²	52.5	49%	0.494	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.9	-174.6	72	-171.4	179	174.4	-4.2	112.5	N801 E804	N801-R806 WeakPolarHBondContact CB-O 3.48Å; N801-R806 PolarHBondContact N-O 3.17Å; N801-R806 PolarHBondContact O-N 2.84Å; E804-R806 VanDerWaalsContact C-N 3.28Å; E804-R806 HydrophobicContact CB-CG 3.75Å; E804-R806 PolarHBondContact O-N 2.72Å; E804-R806 IonicContact OE1-CZ 2.65Å; E804-R806 IonicContact OE1-NE 3.26Å; E804-R806 IonicContact OE1-NH2 3.67Å; E804-R806 PolarHBondContact OE1-NH2 3.37Å; E804-R806 IonicContact OE2-CZ 2.85Å; E804-R806 IonicContact OE2-NE 2.81Å; E804-R806 PolarHBondContact OE2-NE 3.31Å; E804-R806 IonicContact OE2-NH2 2.72Å; E804-R806 PolarHBondContact OE2-NH2 3.04Å
807	C	91	Very high	76.2	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.9	167.9	-161.3	0	0	0	0	110.3	C781 Y784 C790 G799 W800	C781-C807 CarbonylContact C-O 3.57Å; C781-C807 VanDerWaalsContact O-CB 3.26Å; C781-C807 WeakPolarHBondContact O-CB 3.38Å; Y784-C807 WeakPolarHBondContact O-CB 3.5Å; C790-C807 HydrophobicContact CB-CB 3.52Å; C790-C807 WeakPolarHBondContact CB-SG 3.34Å; C790-C807 WeakPolarHBondContact SG-CB 3.24Å; C790-C807 CovalentContact SG-SG 2.03Å; C790-C807 PolarHBondContact SG-SG 3.44Å; G799-C807 WeakPolarHBondContact O-CA 3.27Å; W800-C807 HydrophobicContact CE3-CB 4.14Å; W800-C807 HydrophobicContact CZ3-CB 4.38Å
808	S	90.8	Very high	74.2	Confident	17 Å²	17	63.9 Å²	63.9	12%	0.119	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	173.8	-179.3	82.1	0	0	0	0	111.4	C798 G799	C798-S808 WeakPolarHBondContact CA-O 3.45Å; G799-S808 PolarHBondContact N-O 3.34Å; G799-S808 PolarHBondContact O-N 3.14Å
809	S	87.8	Confident	72	Confident	8 Å²	8	71.2 Å²	71.2	6%	0.056	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.5	176.4	174.8	0	0	0	0	110.4	H797 Y811 L812 F813	H797-S809 VanDerWaalsContact O-CA 3.27Å; H797-S809 WeakPolarHBondContact O-CA 2.98Å; H797-S809 PolarHBondContact O-OG 2.9Å; S809-Y811 PolarHBondContact O-N 3.27Å; S809-Y811 PolarHBondContact OG-N 3.45Å; S809-L812 PolarHBondContact O-N 3.43Å; S809-L812 VanDerWaalsContact O-N 3.14Å; S809-F813 WeakPolarHBondContact O-CD2 3.29Å; S809-F813 WeakPolarHBondContact O-CE2 3.46Å
810	G	78.8	Confident	70.2	Confident	4 Å²	4	75.4 Å²	75.4	4%	0.041	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	177.6	0	0	0	0	0	113.7	L622 H797 F825	L622-G810 WeakPolarHBondContact CD2-O 3.13Å; H797-G810 PolarHBondContact O-N 3.32Å; G810-F825 VanDerWaalsContact CA-CZ 3.42Å
811	Y	77.8	Confident	68.5	Low	38 Å²	38	77.2 Å²	77.2	15%	0.149	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.9	-177.3	-57.8	-77.6	0	0	0	113.9	L619 P620 L622 S809	L619-Y811 HydrophobicContact CB-CE2 4.38Å; L619-Y811 HydrophobicContact CD1-CE2 4.11Å; L619-Y811 HydrophobicContact CD2-CD2 4.2Å; L619-Y811 HydrophobicContact CD2-CE2 3.91Å; L619-Y811 HydrophobicContact CG-CE2 4.36Å; P620-Y811 HydrophobicContact CG-CD1 4.24Å; P620-Y811 HydrophobicContact CG-CE1 3.82Å; P620-Y811 WeakPolarHBondContact O-CE1 3.41Å; P620-Y811 PolarHBondContact O-OH 3.08Å; L622-Y811 HydrophobicContact CD1-CE2 4.32Å; L622-Y811 HydrophobicContact CD2-CD1 3.89Å; L622-Y811 HydrophobicContact CD2-CD2 4.34Å; L622-Y811 HydrophobicContact CD2-CE1 3.47Å; L622-Y811 VanDerWaalsContact CD2-CE1 3.47Å; L622-Y811 HydrophobicContact CD2-CE2 3.96Å; L622-Y811 HydrophobicContact CD2-CG 4.3Å; L622-Y811 HydrophobicContact CG-CE1 4.11Å; L622-Y811 HydrophobicContact CG-CE2 4.23Å; S809-Y811 PolarHBondContact O-N 3.27Å; S809-Y811 PolarHBondContact OG-N 3.45Å
812	L	67.9	Low	66.8	Low	117 Å²	117	81.1 Å²	81.1	61%	0.613	42%	0.422	S	S	*	.	S	Bend	trans	-93.2	-1.7	177.6	-66.2	178.2	0	0	0	113.6	S809 E814	S809-L812 PolarHBondContact O-N 3.43Å; S809-L812 VanDerWaalsContact O-N 3.14Å; L812-E814 PolarHBondContact O-N 2.86Å
813	F	58.6	Low	65.5	Low	59 Å²	59	80.7 Å²	80.7	26%	0.259	43%	0.43	S	S	.	.	S	Bend	trans	-73.6	115	175.8	-71.5	-94.7	0	0	0	111.1	N801 S809 S815 R821 F825	N801-F813 HydrophobicContact CB-CZ 4.08Å; N801-F813 WeakPolarHBondContact ND2-CZ 3.39Å; S809-F813 WeakPolarHBondContact O-CD2 3.29Å; S809-F813 WeakPolarHBondContact O-CE2 3.46Å; F813-S815 PolarHBondContact O-N 3.48Å; F813-R821 PolarHBondContact O-NH2 3.1Å; F813-F825 AromaticContact CE2-CD2 3.49Å; F813-F825 HydrophobicContact CE2-CD2 3.49Å; F813-F825 VanDerWaalsContact CE2-CD2 3.49Å; F813-F825 AromaticContact CE2-CE2 3.57Å; F813-F825 HydrophobicContact CE2-CE2 3.57Å; F813-F825 HydrophobicContact CE2-CG 4.24Å; F813-F825 HydrophobicContact CE2-CZ 4.38Å; F813-F825 AromaticContact CZ-CD2 3.53Å; F813-F825 HydrophobicContact CZ-CD2 3.53Å; F813-F825 AromaticContact CZ-CE2 3.97Å; F813-F825 HydrophobicContact CZ-CE2 3.97Å; F813-F825 HydrophobicContact CZ-CG 4.35Å
814	E	52.2	Low	65	Low	153 Å²	153	78.3 Å²	78.3	72%	0.715	41%	0.411	S	S	*	.			trans	-53.2	139	170.5	-66	-168.8	157.1	0	0	111.3	L812 T816	L812-E814 PolarHBondContact O-N 2.86Å; E814-T816 PolarHBondContact O-N 3.44Å
815	S	47.7	Very low	64.7	Low	62 Å²	62	74.5 Å²	74.5	43%	0.434	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	7	-174.1	53.8	0	0	0	0	114.4	F813 Q818	F813-S815 PolarHBondContact O-N 3.48Å; S815-Q818 WeakPolarHBondContact O-CG 3.3Å
816	T	43.2	Very low	64.6	Low	108 Å²	108	73.9 Å²	73.9	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-27.8	178.7	46.8	0	0	0	0	112.6	E814 Q818	E814-T816 PolarHBondContact O-N 3.44Å; T816-Q818 PolarHBondContact O-N 3.16Å
817	V	44.1	Very low	64.4	Low	99 Å²	99	68.8 Å²	68.8	60%	0.6	37%	0.366	S	S	*	.			trans	-98.7	65.8	178.1	-167	0	0	0	0	110.9	I819	V817-I819 VanDerWaalsContact C-N 3.26Å; V817-I819 PolarHBondContact O-N 2.99Å
818	Q	46.8	Very low	64.2	Low	152 Å²	152	68.8 Å²	68.8	71%	0.71	37%	0.366	S	S	*	.			trans	-71.2	-18.3	179.7	-61.6	-162	-14.3	0	0	114	S815 T816	S815-Q818 WeakPolarHBondContact O-CG 3.3Å; T816-Q818 PolarHBondContact O-N 3.16Å
819	I	44	Very low	63.8	Low	155 Å²	155	68.1 Å²	68.1	80%	0.795	36%	0.361	S	S	*	.	S	Bend	trans	-87.4	-12.2	-153.9	-64.3	173.5	0	0	0	114.6	V817	V817-I819 VanDerWaalsContact C-N 3.26Å; V817-I819 PolarHBondContact O-N 2.99Å
820	N	50.7	Low	63.3	Low	87 Å²	87	69.8 Å²	69.8	47%	0.465	37%	0.369	S	S	.	.			trans	-147.5	21	-172.3	-115.9	-38.3	0	0	0	118	L822 N823 T824	N820-L822 PolarHBondContact O-N 3.47Å; N820-N823 PolarHBondContact O-N 3.32Å; N820-T824 PolarHBondContact O-N 2.54Å; N820-T824 PolarHBondContact O-OG1 3.37Å
821	R	51.5	Low	63.1	Low	65 Å²	65	71.9 Å²	71.9	25%	0.245	38%	0.378	C	S	.	.	H	α-helix	trans	-50.3	-35.3	-176.2	-79.4	-174.8	171	-168	-8.7	114.8	T623 F813 N823 T824 F825	T623-R821 WeakPolarHBondContact OG1-CD 3.25Å; T623-R821 PolarHBondContact OG1-NH1 2.9Å; F813-R821 PolarHBondContact O-NH2 3.1Å; R821-N823 VanDerWaalsContact C-N 3.25Å; R821-N823 PolarHBondContact O-N 2.88Å; R821-T824 WeakPolarHBondContact CA-OG1 3.29Å; R821-T824 PolarHBondContact O-N 3.47Å; R821-F825 PolarHBondContact O-N 2.93Å
822	L	51	Low	62.6	Low	85 Å²	85	78.9 Å²	78.9	45%	0.445	40%	0.404	S	S	.	.	H	α-helix	trans	-51.3	-39.1	177.1	-79.5	170.4	0	0	0	114.5	Y625 N820	Y625-L822 HydrophobicContact CD1-CD1 4.49Å; Y625-L822 HydrophobicContact CD2-CD1 4.44Å; Y625-L822 HydrophobicContact CG-CD1 4Å; N820-L822 PolarHBondContact O-N 3.47Å
823	N	56	Low	62.6	Low	120 Å²	120	78.9 Å²	78.9	64%	0.642	40%	0.401	S	S	*	.	H	α-helix	trans	-103	-11.5	-174.7	-67.1	-17.4	0	0	0	112.4	N820 R821	N820-N823 PolarHBondContact O-N 3.32Å; R821-N823 VanDerWaalsContact C-N 3.25Å; R821-N823 PolarHBondContact O-N 2.88Å
824	T	67.6	Low	63.1	Low	41 Å²	41	81.4 Å²	81.4	25%	0.252	41%	0.408	S	S	.	.	H	α-helix	trans	-103.2	-20.8	-177.1	60.2	0	0	0	0	114.1	N801 W802 N820 R821	N801-T824 WeakPolarHBondContact CA-O 3.26Å; N801-T824 PolarHBondContact OD1-O 3.39Å; W802-T824 PolarHBondContact N-O 3.46Å; N820-T824 PolarHBondContact O-N 2.54Å; N820-T824 PolarHBondContact O-OG1 3.37Å; R821-T824 WeakPolarHBondContact CA-OG1 3.29Å; R821-T824 PolarHBondContact O-N 3.47Å
825	F	76.6	Confident	63.9	Low	14 Å²	14	77.1 Å²	77.1	6%	0.061	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.6	-179	-164.4	-102.2	0	0	0	114.1	L622 G799 W800 N801 G810 F813 R821 P827	L622-F825 HydrophobicContact CD1-CD1 4.41Å; L622-F825 HydrophobicContact CD1-CE1 3.75Å; G799-F825 VanDerWaalsContact C-CE2 3.49Å; G799-F825 WeakPolarHBondContact O-CE2 3.34Å; W800-F825 WeakPolarHBondContact O-CA 3.34Å; N801-F825 HydrophobicContact CB-CD2 4.31Å; G810-F825 VanDerWaalsContact CA-CZ 3.42Å; F813-F825 AromaticContact CE2-CD2 3.49Å; F813-F825 HydrophobicContact CE2-CD2 3.49Å; F813-F825 VanDerWaalsContact CE2-CD2 3.49Å; F813-F825 AromaticContact CE2-CE2 3.57Å; F813-F825 HydrophobicContact CE2-CE2 3.57Å; F813-F825 HydrophobicContact CE2-CG 4.24Å; F813-F825 HydrophobicContact CE2-CZ 4.38Å; F813-F825 AromaticContact CZ-CD2 3.53Å; F813-F825 HydrophobicContact CZ-CD2 3.53Å; F813-F825 AromaticContact CZ-CE2 3.97Å; F813-F825 HydrophobicContact CZ-CE2 3.97Å; F813-F825 HydrophobicContact CZ-CG 4.35Å; R821-F825 PolarHBondContact O-N 2.93Å; F825-P827 HydrophobicContact CD1-CB 4.48Å; F825-P827 HydrophobicContact CE1-CB 4.08Å
826	S	83.2	Confident	65.2	Low	35 Å²	35	76.4 Å²	76.4	25%	0.245	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	103.2	172.7	-65.6	0	0	0	0	110.8	G799 W800 W802	G799-S826 CarbonylContact C-O 3.56Å; G799-S826 WeakPolarHBondContact CA-O 3.39Å; W800-S826 PolarHBondContact N-O 2.75Å; W800-S826 PolarHBondContact O-N 3.45Å; W802-S826 PolarHBondContact NE1-OG 3.33Å
827	P	84.3	Confident	66.8	Low	24 Å²	24	71.5 Å²	71.5	16%	0.156	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	147.8	-177.4	28.3	-35.5	0	0	0	112.3	L622 F825 I829	L622-P827 HydrophobicContact CD1-CB 4.1Å; F825-P827 HydrophobicContact CD1-CB 4.48Å; F825-P827 HydrophobicContact CE1-CB 4.08Å; P827-I829 PolarHBondContact O-N 3.27Å
828	S	86.7	Confident	68.4	Low	2 Å²	2	72.3 Å²	72.3	1%	0.014	35%	0.353	C	S	.	.	S	Bend	trans	-62.1	-31.6	-179.2	-167.3	0	0	0	0	113.1	C790 L791 S793 K794 C798	C790-S828 WeakPolarHBondContact O-CB 3.37Å; C790-S828 PolarHBondContact O-OG 2.85Å; L791-S828 PolarHBondContact O-OG 3.33Å; S793-S828 PolarHBondContact OG-OG 3.5Å; K794-S828 WeakPolarHBondContact CA-OG 3.45Å; K794-S828 WeakPolarHBondContact CD-O 3.49Å; K794-S828 PolarHBondContact N-OG 2.81Å; K794-S828 VanDerWaalsContact N-OG 3.11Å; K794-S828 PolarHBondContact NZ-O 2.8Å; C798-S828 VanDerWaalsContact O-CB 3.27Å; C798-S828 WeakPolarHBondContact O-CB 3.33Å; C798-S828 PolarHBondContact O-N 2.68Å
829	I	84	Confident	70.3	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.015	33%	0.334	C	S	.	.	S	Bend	trans	-108.6	123.4	167	-62.9	94.2	0	0	0	109.4	Y651 K794 P796 P827 H831	Y651-I829 WeakPolarHBondContact OH-CD1 3.45Å; Y651-I829 WeakPolarHBondContact OH-CG1 3.3Å; K794-I829 HydrophobicContact CB-CD1 4.35Å; K794-I829 HydrophobicContact CD-CG1 4.32Å; K794-I829 WeakPolarHBondContact O-CD1 2.92Å; P796-I829 HydrophobicContact CB-CD1 3.92Å; P827-I829 PolarHBondContact O-N 3.27Å; I829-H831 PolarHBondContact O-N 2.83Å
830	D	75.8	Confident	72.1	Confident	42 Å²	42	60.7 Å²	60.7	23%	0.225	30%	0.302	C	S	.	.			trans	-89.8	97.9	172.6	175.3	13	0	0	0	110.3	R832 N836	D830-R832 VanDerWaalsContact CG-NE 3.27Å; D830-R832 PolarHBondContact O-N 3.03Å; D830-R832 VanDerWaalsContact OD1-CB 3.24Å; D830-R832 WeakPolarHBondContact OD1-CB 2.96Å; D830-R832 WeakPolarHBondContact OD1-CG 3.47Å; D830-R832 IonicContact OD1-CZ 3.53Å; D830-R832 PolarHBondContact OD1-N 3.45Å; D830-R832 VanDerWaalsContact OD1-N 3.1Å; D830-R832 IonicContact OD1-NE 3.68Å; D830-R832 PolarHBondContact OD1-NE 3.39Å; D830-R832 IonicContact OD1-NH2 2.66Å; D830-R832 IonicContact OD2-CZ 2.68Å; D830-R832 VanDerWaalsContact OD2-CZ 3.24Å; D830-R832 IonicContact OD2-NE 3.36Å; D830-R832 PolarHBondContact OD2-NE 2.95Å; D830-R832 IonicContact OD2-NH2 2.71Å; D830-R832 PolarHBondContact OD2-NH2 2.9Å; D830-N836 HydrophobicContact CB-CB 4.33Å; D830-N836 WeakPolarHBondContact CB-ND2 3.12Å; D830-N836 VanDerWaalsContact CG-ND2 3.3Å; D830-N836 WeakPolarHBondContact O-CB 3.46Å; D830-N836 PolarHBondContact O-ND2 2.76Å; D830-N836 PolarHBondContact OD2-ND2 2.96Å; D830-N836 VanDerWaalsContact OD2-ND2 3.15Å
831	H	74.8	Confident	73.1	Confident	49 Å²	49	60.8 Å²	60.8	23%	0.227	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.9	-178.3	-69.4	-62.3	0	0	0	115.1	I632 T634 I829 Q833 H837	I632-H831 HydrophobicContact CD1-CB 4.05Å; I632-H831 VanDerWaalsContact CD1-O 3.26Å; I632-H831 WeakPolarHBondContact CD1-O 3.37Å; T634-H831 PolarHBondContact OG1-CE1 2.81Å; I829-H831 PolarHBondContact O-N 2.83Å; H831-Q833 PolarHBondContact O-N 3.03Å; H831-Q833 VanDerWaalsContact O-N 3.1Å; H831-H837 AromaticContact CE1-NE2 3.77Å; H831-H837 AromaticContact CG-NE2 3.96Å; H831-H837 AromaticContact ND1-CD2 3.75Å; H831-H837 AromaticContact ND1-CE1 3.8Å; H831-H837 AromaticContact ND1-NE2 2.92Å; H831-H837 PolarHBondContact ND1-NE2 2.8Å
832	R	67.7	Low	73.4	Confident	184 Å²	184	64.1 Å²	64.1	69%	0.694	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.3	-178.6	-69.6	178.3	-65.1	-175	2.2	115	D830	D830-R832 VanDerWaalsContact CG-NE 3.27Å; D830-R832 PolarHBondContact O-N 3.03Å; D830-R832 VanDerWaalsContact OD1-CB 3.24Å; D830-R832 WeakPolarHBondContact OD1-CB 2.96Å; D830-R832 WeakPolarHBondContact OD1-CG 3.47Å; D830-R832 IonicContact OD1-CZ 3.53Å; D830-R832 PolarHBondContact OD1-N 3.45Å; D830-R832 VanDerWaalsContact OD1-N 3.1Å; D830-R832 IonicContact OD1-NE 3.68Å; D830-R832 PolarHBondContact OD1-NE 3.39Å; D830-R832 IonicContact OD1-NH2 2.66Å; D830-R832 IonicContact OD2-CZ 2.68Å; D830-R832 VanDerWaalsContact OD2-CZ 3.24Å; D830-R832 IonicContact OD2-NE 3.36Å; D830-R832 PolarHBondContact OD2-NE 2.95Å; D830-R832 IonicContact OD2-NH2 2.71Å; D830-R832 PolarHBondContact OD2-NH2 2.9Å
833	Q	67.7	Low	73.2	Confident	118 Å²	118	64 Å²	64	55%	0.551	33%	0.329	S	S	*	.			trans	-142.7	144.3	177	-59.7	-171.7	-4.8	0	0	112.5	H831 S835 N836 H837	H831-Q833 PolarHBondContact O-N 3.03Å; H831-Q833 VanDerWaalsContact O-N 3.1Å; Q833-S835 WeakPolarHBondContact CB-OG 3.19Å; Q833-S835 PolarHBondContact O-N 2.76Å; Q833-S835 PolarHBondContact OE1-OG 2.75Å; Q833-S835 VanDerWaalsContact OE1-OG 3.08Å; Q833-N836 WeakPolarHBondContact O-CB 3.23Å; Q833-N836 PolarHBondContact O-N 2.89Å; Q833-N836 VanDerWaalsContact O-N 3.11Å; Q833-H837 PolarHBondContact O-CE1 2.76Å; Q833-H837 VanDerWaalsContact O-CE1 3.3Å; Q833-H837 PolarHBondContact O-ND1 3.42Å
834	R	69.8	Low	72.5	Confident	111 Å²	111	64.3 Å²	64.3	42%	0.419	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59	-34.9	176.2	-173.5	163.5	-174.5	-147	-2.5	112.5	Y653 T673 N836 H837	Y653-R834 HydrophobicContact CE1-CB 4.24Å; Y653-R834 HydrophobicContact CE1-CG 3.81Å; Y653-R834 HydrophobicContact CE2-CG 4.25Å; T673-R834 PolarHBondContact O-NH2 2.99Å; T673-R834 PolarHBondContact OG1-NH2 2.88Å; R834-N836 PolarHBondContact O-N 3.48Å; R834-H837 WeakPolarHBondContact O-CB 3.44Å; R834-H837 PolarHBondContact O-N 3.49Å; R834-H837 PolarHBondContact O-ND1 3.44Å
835	S	69.7	Low	71.2	Confident	64 Å²	64	68.4 Å²	68.4	45%	0.448	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-55.4	-28.9	174.1	39	0	0	0	0	114.8	Q833 H837 Q838	Q833-S835 WeakPolarHBondContact CB-OG 3.19Å; Q833-S835 PolarHBondContact O-N 2.76Å; Q833-S835 PolarHBondContact OE1-OG 2.75Å; Q833-S835 VanDerWaalsContact OE1-OG 3.08Å; S835-H837 VanDerWaalsContact C-N 3.31Å; S835-Q838 WeakPolarHBondContact O-CG 3.38Å; S835-Q838 PolarHBondContact O-NE2 2.64Å
836	N	73.6	Confident	69.5	Low	47 Å²	47	71.5 Å²	71.5	25%	0.251	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-79	-14.7	-177.8	-62.4	-15.3	0	0	0	113.4	D830 Q833 R834 Q838	D830-N836 HydrophobicContact CB-CB 4.33Å; D830-N836 WeakPolarHBondContact CB-ND2 3.12Å; D830-N836 VanDerWaalsContact CG-ND2 3.3Å; D830-N836 WeakPolarHBondContact O-CB 3.46Å; D830-N836 PolarHBondContact O-ND2 2.76Å; D830-N836 PolarHBondContact OD2-ND2 2.96Å; D830-N836 VanDerWaalsContact OD2-ND2 3.15Å; Q833-N836 WeakPolarHBondContact O-CB 3.23Å; Q833-N836 PolarHBondContact O-N 2.89Å; Q833-N836 VanDerWaalsContact O-N 3.11Å; R834-N836 PolarHBondContact O-N 3.48Å; N836-Q838 VanDerWaalsContact C-N 3.34Å; N836-Q838 PolarHBondContact O-N 2.83Å
837	H	76.7	Confident	67.7	Low	4 Å²	4	75 Å²	75	2%	0.019	38%	0.379	C	S	.	.			trans	-81.7	83.8	-178.8	-61.3	74.9	0	0	0	108.5	Y651 Y653 I675 H831 Q833 R834 S835	Y651-H837 AromaticContact CD1-CD2 3.72Å; Y651-H837 HydrophobicContact CD2-CB 4.38Å; Y651-H837 AromaticContact CG-CD2 3.74Å; Y653-H837 WeakPolarHBondContact OH-CB 3.05Å; Y653-H837 PolarHBondContact OH-CD2 2.83Å; I675-H837 HydrophobicContact CD1-CB 3.93Å; I675-H837 WeakPolarHBondContact CD1-O 3.41Å; H831-H837 AromaticContact CE1-NE2 3.77Å; H831-H837 AromaticContact CG-NE2 3.96Å; H831-H837 AromaticContact ND1-CD2 3.75Å; H831-H837 AromaticContact ND1-CE1 3.8Å; H831-H837 AromaticContact ND1-NE2 2.92Å; H831-H837 PolarHBondContact ND1-NE2 2.8Å; Q833-H837 PolarHBondContact O-CE1 2.76Å; Q833-H837 VanDerWaalsContact O-CE1 3.3Å; Q833-H837 PolarHBondContact O-ND1 3.42Å; R834-H837 WeakPolarHBondContact O-CB 3.44Å; R834-H837 PolarHBondContact O-N 3.49Å; R834-H837 PolarHBondContact O-ND1 3.44Å; S835-H837 VanDerWaalsContact C-N 3.31Å
838	Q	78.6	Confident	65.9	Low	116 Å²	116	82.7 Å²	82.7	54%	0.542	41%	0.41	S	S	.	.			trans	-125.2	150.9	-178.1	-58.6	-174.1	23	0	0	110.3	K794 S835 N836	K794-Q838 WeakPolarHBondContact CG-O 3.07Å; S835-Q838 WeakPolarHBondContact O-CG 3.38Å; S835-Q838 PolarHBondContact O-NE2 2.64Å; N836-Q838 VanDerWaalsContact C-N 3.34Å; N836-Q838 PolarHBondContact O-N 2.83Å
839	C	85.8	Confident	64.2	Low	44 Å²	44	85 Å²	85	30%	0.297	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-80.6	159.4	176.6	-52.9	0	0	0	0	111.4	I676 C677 T841	I676-C839 PolarHBondContact O-SG 3.04Å; C677-C839 WeakPolarHBondContact CA-SG 3.19Å; C677-C839 HydrophobicContact CB-CB 3.7Å; C677-C839 WeakPolarHBondContact CB-SG 3.44Å; C677-C839 WeakPolarHBondContact SG-CA 3.48Å; C677-C839 WeakPolarHBondContact SG-CB 3.34Å; C677-C839 CovalentContact SG-SG 2.04Å; C677-C839 PolarHBondContact SG-SG 2.88Å; C839-T841 PolarHBondContact O-N 3.22Å
840	P	83.4	Confident	62.6	Low	19 Å²	19	90.6 Å²	90.6	12%	0.123	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-59.4	124.9	176.6	-16.8	27.8	0	0	0	111	L679 S793 K794	L679-P840 HydrophobicContact CD2-CG 4.1Å; S793-P840 VanDerWaalsContact O-CG 3.3Å; S793-P840 WeakPolarHBondContact O-CG 3.24Å; K794-P840 HydrophobicContact CB-CG 4.07Å
841	T	70.8	Confident	61.6	Low	90 Å²	90	96.1 Å²	96.1	55%	0.552	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-70.2	141.5	177.8	43.3	0	0	0	0	111.1	C839 S843	C839-T841 PolarHBondContact O-N 3.22Å; T841-S843 PolarHBondContact O-N 3.09Å
842	K	57.3	Low	60.8	Low	134 Å²	134	99.4 Å²	99.4	58%	0.583	49%	0.49	S	S	*	.	S	Bend	trans	-68.9	26.1	-177.3	-72.2	-178	176.8	171.2	0	114.4	E186	E186-K842 IonicContact OE2-NZ 3.53Å; E186-K842 PolarHBondContact OE2-NZ 3.25Å
843	S	48	Very low	60.5	Low	84 Å²	84	90.9 Å²	90.9	59%	0.587	46%	0.459	S	S	*	.			trans	-142.2	80.1	-165.7	60.3	0	0	0	0	114	T841	T841-S843 PolarHBondContact O-N 3.09Å
844	F	41.3	Very low	60.6	Low	126 Å²	126	86.4 Å²	86.4	55%	0.553	44%	0.437	S	S	*	.			trans	-135.6	107.7	146.1	-137.5	-92.6	0	0	0	109	F846	F844-F846 HydrophobicContact CB-CD2 4.44Å; F844-F846 HydrophobicContact CB-CE2 4.34Å; F844-F846 HydrophobicContact CD1-CD2 4.12Å; F844-F846 AromaticContact CD1-CE2 3.96Å; F844-F846 HydrophobicContact CD1-CE2 3.96Å; F844-F846 PolarHBondContact O-N 2.9Å
845	T	39	Very low	60.9	Low	126 Å²	126	83.2 Å²	83.2	77%	0.773	43%	0.429	S	S	*	.			trans	-77.5	98	172.5	43.5	0	0	0	0	108.4	D847	T845-D847 PolarHBondContact O-N 2.89Å
846	F	41.6	Very low	61.2	Low	79 Å²	79	89.4 Å²	89.4	35%	0.346	45%	0.448	S	S	.	.			trans	-68	78.1	171.1	-90.2	-95.4	0	0	0	110.7	D789 F844 K848 D849	D789-F846 WeakPolarHBondContact OD1-CZ 3.48Å; F844-F846 HydrophobicContact CB-CD2 4.44Å; F844-F846 HydrophobicContact CB-CE2 4.34Å; F844-F846 HydrophobicContact CD1-CD2 4.12Å; F844-F846 AromaticContact CD1-CE2 3.96Å; F844-F846 HydrophobicContact CD1-CE2 3.96Å; F844-F846 PolarHBondContact O-N 2.9Å; F846-K848 PolarHBondContact O-N 3.38Å; F846-D849 HydrophobicContact CB-CB 4.07Å; F846-D849 WeakPolarHBondContact CB-OD2 3.27Å; F846-D849 WeakPolarHBondContact CD1-OD2 3.25Å; F846-D849 PolarHBondContact O-N 3.09Å
847	D	44.7	Very low	61.6	Low	110 Å²	110	91.2 Å²	91.2	59%	0.588	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.6	175.4	-131	-16.2	0	0	0	112.4	T845 K850	T845-D847 PolarHBondContact O-N 2.89Å; D847-K850 VanDerWaalsContact OD1-CE 3.29Å; D847-K850 WeakPolarHBondContact OD1-CE 3.41Å; D847-K850 IonicContact OD1-NZ 3.18Å; D847-K850 PolarHBondContact OD1-NZ 3.39Å
848	K	46.9	Very low	61.7	Low	185 Å²	185	95.4 Å²	95.4	80%	0.804	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.2	167.9	-69.1	-176.1	175.8	178.6	0	113.9	F846 K850	F846-K848 PolarHBondContact O-N 3.38Å; K848-K850 VanDerWaalsContact C-N 3.33Å; K848-K850 PolarHBondContact O-N 3.27Å
849	D	50.7	Low	61.6	Low	49 Å²	49	95.9 Å²	95.9	26%	0.262	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.4	-173.9	-82	-38	0	0	0	114.6	F846 E851 N852 S853	F846-D849 HydrophobicContact CB-CB 4.07Å; F846-D849 WeakPolarHBondContact CB-OD2 3.27Å; F846-D849 WeakPolarHBondContact CD1-OD2 3.25Å; F846-D849 PolarHBondContact O-N 3.09Å; D849-E851 PolarHBondContact O-N 3.12Å; D849-E851 VanDerWaalsContact O-N 3.13Å; D849-N852 HydrophobicContact CB-CB 4.45Å; D849-N852 PolarHBondContact O-N 3.01Å; D849-N852 WeakPolarHBondContact OD1-CB 3.49Å; D849-N852 PolarHBondContact OD1-ND2 3.43Å; D849-S853 WeakPolarHBondContact O-CB 3.25Å; D849-S853 PolarHBondContact O-N 2.94Å; D849-S853 PolarHBondContact O-OG 3.1Å
850	K	51.1	Low	61	Low	122 Å²	122	95 Å²	95	53%	0.53	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.9	173.2	-85.2	170.5	176.3	153.6	0	113.8	D847 K848	D847-K850 VanDerWaalsContact OD1-CE 3.29Å; D847-K850 WeakPolarHBondContact OD1-CE 3.41Å; D847-K850 IonicContact OD1-NZ 3.18Å; D847-K850 PolarHBondContact OD1-NZ 3.39Å; K848-K850 VanDerWaalsContact C-N 3.33Å; K848-K850 PolarHBondContact O-N 3.27Å
851	E	54.3	Low	60.2	Low	158 Å²	158	99 Å²	99	74%	0.738	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-48.3	170.9	-95.3	-174.2	141.8	0	0	113.2	D849 S853 W854	D849-E851 PolarHBondContact O-N 3.12Å; D849-E851 VanDerWaalsContact O-N 3.13Å; E851-S853 PolarHBondContact O-N 2.73Å; E851-S853 VanDerWaalsContact O-N 3.11Å; E851-W854 PolarHBondContact O-N 3.45Å; E851-W854 VanDerWaalsContact O-N 3.12Å
852	N	57	Low	59.5	Low	118 Å²	118	100.7 Å²	100.7	63%	0.631	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.9	177.3	-66.9	-28.6	0	0	0	113.6	D849 W854	D849-N852 HydrophobicContact CB-CB 4.45Å; D849-N852 PolarHBondContact O-N 3.01Å; D849-N852 WeakPolarHBondContact OD1-CB 3.49Å; D849-N852 PolarHBondContact OD1-ND2 3.43Å; N852-W854 PolarHBondContact O-N 3.44Å; N852-W854 VanDerWaalsContact O-N 3.15Å
853	S	62.1	Low	59.5	Low	5 Å²	5	102 Å²	102	4%	0.035	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.3	173.8	-70.7	0	0	0	0	114.8	D849 E851 I906 S907 H910	D849-S853 WeakPolarHBondContact O-CB 3.25Å; D849-S853 PolarHBondContact O-N 2.94Å; D849-S853 PolarHBondContact O-OG 3.1Å; E851-S853 PolarHBondContact O-N 2.73Å; E851-S853 VanDerWaalsContact O-N 3.11Å; S853-I906 PolarHBondContact O-N 2.96Å; S853-S907 VanDerWaalsContact CB-CB 3.48Å; S853-S907 PolarHBondContact O-N 3.36Å; S853-S907 VanDerWaalsContact O-N 3.15Å; S853-S907 VanDerWaalsContact OG-CB 3.23Å; S853-S907 WeakPolarHBondContact OG-CB 3.46Å; S853-H910 WeakPolarHBondContact OG-CB 3.29Å; S853-H910 PolarHBondContact OG-CD2 2.81Å
854	W	70.5	Confident	59.3	Low	24 Å²	24	101.4 Å²	101.4	9%	0.091	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-128	156.1	-178.8	-61.1	85	0	0	0	111.6	E851 N852 R903 L904 C905 C911 G914 Q917	E851-W854 PolarHBondContact O-N 3.45Å; E851-W854 VanDerWaalsContact O-N 3.12Å; N852-W854 PolarHBondContact O-N 3.44Å; N852-W854 VanDerWaalsContact O-N 3.15Å; W854-R903 HydrophobicContact CB-CG 4.5Å; W854-R903 HydrophobicContact CD2-CG 4.49Å; W854-R903 HydrophobicContact CE3-CG 3.89Å; W854-L904 CarbonylContact C-O 3.54Å; W854-L904 WeakPolarHBondContact CA-O 3.4Å; W854-C905 HydrophobicContact CE3-CB 4.16Å; W854-C905 HydrophobicContact CH2-CB 4.17Å; W854-C905 HydrophobicContact CZ3-CB 3.86Å; W854-C911 HydrophobicContact CH2-CB 4.25Å; W854-C911 HydrophobicContact CZ2-CB 4.07Å; W854-G914 WeakPolarHBondContact CH2-O 3.31Å; W854-Q917 HydrophobicContact CE3-CG 4.4Å; W854-Q917 HydrophobicContact CH2-CG 3.58Å; W854-Q917 HydrophobicContact CZ2-CG 4.27Å; W854-Q917 HydrophobicContact CZ3-CB 4.11Å; W854-Q917 HydrophobicContact CZ3-CG 3.65Å
855	T	74.7	Confident	59.5	Low	43 Å²	43	100.2 Å²	100.2	26%	0.264	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-63.5	161.4	164.2	67.9	0	0	0	0	110.6	R903 L904 I906	T855-R903 WeakPolarHBondContact OG1-CA 3.47Å; T855-R903 WeakPolarHBondContact OG1-CB 3.29Å; T855-L904 HydrophobicContact CG2-CB 3.92Å; T855-L904 PolarHBondContact N-O 3.17Å; T855-L904 PolarHBondContact OG1-N 3.38Å; T855-I906 HydrophobicContact CG2-CD1 4.05Å; T855-I906 HydrophobicContact CG2-CG1 4.13Å
856	K	77.6	Confident	59.7	Low	194 Å²	194	102.5 Å²	102.5	84%	0.843	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-54.3	154.8	157	-67.3	-175.5	179.7	179.9	0	109.7
857	W	81.4	Confident	59.6	Low	86 Å²	86	106.9 Å²	106.9	33%	0.326	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-68	138.1	171.8	-66.1	94.8	0	0	0	109.9	L901 C902 R903 Q917 K919	W857-L901 HydrophobicContact CB-CD2 4.47Å; W857-L901 HydrophobicContact CE3-CB 3.99Å; W857-L901 WeakPolarHBondContact CZ3-O 3.15Å; W857-C902 CarbonylContact C-O 3.54Å; W857-C902 VanDerWaalsContact CA-O 3.3Å; W857-C902 WeakPolarHBondContact CA-O 3.45Å; W857-C902 VanDerWaalsContact CE3-C 3.48Å; W857-R903 HydrophobicContact CD2-CB 4.09Å; W857-R903 HydrophobicContact CD2-CG 3.98Å; W857-R903 VanDerWaalsContact CE2-CD 3.46Å; W857-R903 HydrophobicContact CE3-CB 3.96Å; W857-R903 HydrophobicContact CE3-CG 3.86Å; W857-R903 HydrophobicContact CH2-CG 3.83Å; W857-R903 HydrophobicContact CZ2-CG 3.95Å; W857-R903 VanDerWaalsContact CZ2-NE 3.33Å; W857-R903 HydrophobicContact CZ3-CB 4.31Å; W857-R903 HydrophobicContact CZ3-CG 3.78Å; W857-Q917 HydrophobicContact CH2-CB 3.94Å; W857-Q917 HydrophobicContact CZ3-CB 4.37Å; W857-K919 HydrophobicContact CD2-CD 3.98Å; W857-K919 VanDerWaalsContact CD2-CE 3.45Å; W857-K919 HydrophobicContact CD2-CG 4.44Å; W857-K919 VanDerWaalsContact CE2-NZ 3.35Å; W857-K919 HydrophobicContact CE3-CD 3.95Å; W857-K919 HydrophobicContact CE3-CG 3.9Å; W857-K919 HydrophobicContact CH2-CB 4.07Å; W857-K919 HydrophobicContact CH2-CD 3.68Å; W857-K919 HydrophobicContact CH2-CG 3.82Å; W857-K919 HydrophobicContact CZ2-CD 3.69Å; W857-K919 HydrophobicContact CZ2-CG 4.35Å; W857-K919 HydrophobicContact CZ3-CB 4.08Å; W857-K919 HydrophobicContact CZ3-CD 3.81Å; W857-K919 HydrophobicContact CZ3-CG 3.58Å
858	Y	78.1	Confident	59.2	Low	91 Å²	91	107.4 Å²	107.4	36%	0.357	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152	177.2	62.9	-91.5	0	0	0	109.9	C860 C902 L904	Y858-C860 HydrophobicContact CE2-CB 4.4Å; Y858-C902 WeakPolarHBondContact CD1-O 2.98Å; Y858-C902 HydrophobicContact CD2-CB 4.15Å; Y858-C902 HydrophobicContact CE1-CB 4.05Å; Y858-C902 HydrophobicContact CE2-CB 3.6Å; Y858-C902 PolarHBondContact N-O 3.22Å; Y858-C902 PolarHBondContact O-N 3.41Å; Y858-L904 HydrophobicContact CE1-CD1 4.47Å; Y858-L904 HydrophobicContact CE1-CG 4.33Å
859	D	76.8	Confident	58.7	Low	126 Å²	126	101.4 Å²	101.4	67%	0.674	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.2	-179.9	-66.9	-64.3	0	0	0	112.3	L901	D859-L901 VanDerWaalsContact OD1-CD2 3.27Å; D859-L901 WeakPolarHBondContact OD1-CD2 3.48Å
860	C	73.7	Confident	58.1	Low	25 Å²	25	106.1 Å²	106.1	17%	0.169	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.3	179.9	60.4	0	0	0	0	110.9	Y858 C900 C902	Y858-C860 HydrophobicContact CE2-CB 4.4Å; C860-C900 PolarHBondContact N-O 3Å; C860-C900 WeakPolarHBondContact O-CA 3.12Å; C860-C900 WeakPolarHBondContact O-CB 2.99Å; C860-C900 PolarHBondContact O-N 2.67Å; C860-C900 VanDerWaalsContact O-O 3.05Å; C860-C900 PolarHBondContact SG-O 2.86Å; C860-C902 HydrophobicContact CB-CB 3.78Å; C860-C902 WeakPolarHBondContact CB-SG 3.44Å; C860-C902 WeakPolarHBondContact SG-CB 3.42Å; C860-C902 PolarHBondContact SG-N 2.83Å; C860-C902 CovalentContact SG-SG 2.03Å; C860-C902 PolarHBondContact SG-SG 2.89Å
861	N	66.1	Low	57.4	Low	104 Å²	104	105.9 Å²	105.9	56%	0.556	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	147.1	-173.3	-67.7	-24	0	0	0	112.3	I863 L897	N861-I863 PolarHBondContact O-N 3.28Å; N861-I863 VanDerWaalsContact O-N 3.15Å; N861-L897 HydrophobicContact CB-CB 4.45Å; N861-L897 HydrophobicContact CB-CD2 4.09Å
862	W	57	Low	56.6	Low	126 Å²	126	104.5 Å²	104.5	48%	0.477	55%	0.55	S	S	.	*			trans	-75.4	100.7	177.3	-139	67.4	0	0	0	111.1	T864 G898	W862-T864 HydrophobicContact CE3-CG2 3.93Å; W862-T864 HydrophobicContact CZ3-CG2 4.28Å; W862-T864 PolarHBondContact O-N 2.04Å; W862-T864 VanDerWaalsContact O-N 3.1Å; W862-G898 PolarHBondContact N-O 2.89Å
863	I	56	Low	55.7	Low	160 Å²	160	104.3 Å²	104.3	82%	0.821	56%	0.556	S	S	*	*			trans	-70.1	104.2	174.7	-55.7	176.9	0	0	0	108.7	N861	N861-I863 PolarHBondContact O-N 3.28Å; N861-I863 VanDerWaalsContact O-N 3.15Å
864	T	44.9	Very low	54.4	Low	73 Å²	73	111.8 Å²	111.8	45%	0.448	59%	0.593	S	S	.	*			trans	-74.3	132.6	174.9	49.4	0	0	0	0	110.3	W862 H866	W862-T864 HydrophobicContact CE3-CG2 3.93Å; W862-T864 HydrophobicContact CZ3-CG2 4.28Å; W862-T864 PolarHBondContact O-N 2.04Å; W862-T864 VanDerWaalsContact O-N 3.1Å; T864-H866 PolarHBondContact O-N 2.96Å
865	S	44.7	Very low	52.7	Low	100 Å²	100	114.7 Å²	114.7	70%	0.699	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	38.1	-173.2	59.6	0	0	0	0	114.1
866	H	44.2	Very low	50.7	Low	174 Å²	174	120 Å²	120	81%	0.806	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	10.2	-173.1	-88	19.4	0	0	0	114.3	T864	T864-H866 PolarHBondContact O-N 2.96Å
867	Q	40	Very low	48.6	Very low	172 Å²	172	119.1 Å²	119.1	80%	0.804	65%	0.646	S	S	*	*			trans	-119	73	165.2	-73	-174.2	-35.7	0	0	109.9	G869	Q867-G869 PolarHBondContact O-N 2.86Å
868	I	36.1	Very low	46.3	Very low	121 Å²	121	122 Å²	122	62%	0.621	67%	0.668	S	S	*	*			trans	-86	99.9	167.7	-59.2	168.6	0	0	0	106
869	G	36.7	Very low	44.4	Very low	58 Å²	58	127.2 Å²	127.2	60%	0.598	70%	0.695	S	S	*	*	S	Bend	trans	-173.4	-75.9	-172.7	0	0	0	0	0	113.5	Q867	Q867-G869 PolarHBondContact O-N 2.86Å
870	D	37.3	Very low	42.3	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	71%	0.707	S	S	*	*			trans	-124	137.4	-163.3	-62.6	-72	0	0	0	114.2	V872	D870-V872 PolarHBondContact O-N 2.86Å
871	P	37.1	Very low	40.4	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	74%	0.737	S	S	*	*			trans	-84.4	101	179.5	32.7	-33.5	0	0	0	112.4	P873	P871-P873 WeakPolarHBondContact O-CD 3.48Å
872	V	37.7	Very low	38.9	Very low	129 Å²	129	137.3 Å²	137.3	78%	0.782	75%	0.751	S	S	*	*			trans	-79.2	122.6	172.6	-177.7	0	0	0	0	110.6	D870	D870-V872 PolarHBondContact O-N 2.86Å
873	P	36.8	Very low	38	Very low	115 Å²	115	139 Å²	139	75%	0.747	77%	0.769	S	S	*	*			trans	-70.1	131.9	178.5	-18.5	32.2	0	0	0	112.5	P871 A875	P871-P873 WeakPolarHBondContact O-CD 3.48Å; P873-A875 PolarHBondContact O-N 2.74Å
874	I	36.1	Very low	37.1	Very low	162 Å²	162	136.9 Å²	136.9	83%	0.831	76%	0.763	S	S	*	*			trans	-83.3	95.5	170.2	-56	-180	0	0	0	108.5
875	A	34.3	Very low	36.7	Very low	84 Å²	84	140.8 Å²	140.8	69%	0.694	78%	0.781	S	S	*	*			trans	-74.6	122.9	169.4	0	0	0	0	0	110.1	P873	P873-A875 PolarHBondContact O-N 2.74Å
876	I	31.5	Very low	36	Very low	156 Å²	156	143.9 Å²	143.9	80%	0.8	79%	0.785	S	S	*	*			trans	-97.1	109.6	169.8	-58.5	174	0	0	0	106.9
877	H	35.3	Very low	35.6	Very low	175 Å²	175	142.3 Å²	142.3	81%	0.81	78%	0.782	S	S	*	*			trans	-132	116.4	175.1	-102.5	-75.7	0	0	0	110.3
878	D	31.2	Very low	35.2	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	79%	0.785	S	S	*	*			trans	-70.1	134.7	157.5	-75.9	-58.2	0	0	0	109.4
879	Q	38.1	Very low	35	Very low	199 Å²	199	138.4 Å²	138.4	93%	0.93	79%	0.789	S	S	*	*				175	158.1	124.7	-95.3	169.7	3.4	0	0	112
880	Q	33.8	Very low	34.8	Very low	196 Å²	196	143.9 Å²	143.9	92%	0.916	81%	0.805	S	S	*	*			trans	-103.8	138.2	178.1	-60.4	167.6	-98.3	0	0	110.8
881	S	34.5	Very low	34.7	Very low	116 Å²	116	146 Å²	146	81%	0.811	81%	0.807	S	S	*	*			trans	-166.8	143.9	144.3	58.5	0	0	0	0	110.6
882	D	34	Very low	34.7	Very low	156 Å²	156	149 Å²	149	83%	0.834	82%	0.815	S	S	*	*			trans	-73.6	151.5	174.7	-44.9	-92.9	0	0	0	111.6
883	D	38.8	Very low	34.7	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	80%	0.799	S	S	*	*				-175.6	172.9	105.7	-130.7	-37.5	0	0	0	113
884	V	36	Very low	34.8	Very low	116 Å²	116	146.7 Å²	146.7	70%	0.703	80%	0.801	S	S	*	*			trans	-100.6	129.8	-168.7	176.6	0	0	0	0	113.5
885	N	35.7	Very low	35	Very low	155 Å²	155	147 Å²	147	83%	0.829	80%	0.797	S	S	*	*				-175.9	157	123.9	-103.2	-67.6	0	0	0	114.3
886	E	31.9	Very low	35.6	Very low	166 Å²	166	150.4 Å²	150.4	78%	0.776	80%	0.802	S	S	*	*			trans	-88.6	141.5	176.6	-57.3	175.9	121.2	0	0	111.5
887	N	34.4	Very low	36.6	Very low	140 Å²	140	146.7 Å²	146.7	75%	0.749	78%	0.784	S	S	*	*				172.6	144.6	108	-95.3	-71.6	0	0	0	114.4
888	V	32.7	Very low	37.6	Very low	143 Å²	143	139 Å²	139	87%	0.867	75%	0.752	S	S	*	*			trans	38.6	107.4	152.4	-172.1	0	0	0	0	118.6
889	G	30.6	Very low	39.1	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	73%	0.732	S	S	*	*			trans	172.5	93.4	167.6	0	0	0	0	0	114.6	K891	G889-K891 PolarHBondContact O-N 3.36Å
890	D	33.3	Very low	40.9	Very low	173 Å²	173	125.3 Å²	125.3	93%	0.925	69%	0.69	S	S	*	*			trans	-10.8	95.6	173.5	-61.8	-32.8	0	0	0	118.2
891	K	35.4	Very low	43.2	Very low	194 Å²	194	117.9 Å²	117.9	84%	0.843	66%	0.656	S	S	*	*			trans	-130.5	118.3	156.3	-78.6	-178.1	176.7	172.2	0	109.9	G889 S893	G889-K891 PolarHBondContact O-N 3.36Å; K891-S893 PolarHBondContact O-N 3.24Å
892	I	36.7	Very low	45.5	Very low	179 Å²	179	112.6 Å²	112.6	92%	0.918	62%	0.619	S	S	*	*			trans	-54.1	113.9	174.2	-65.5	171.5	0	0	0	107.9	T894	I892-T894 PolarHBondContact O-N 3.26Å
893	S	36.8	Very low	47.8	Very low	64 Å²	64	107.1 Å²	107.1	45%	0.448	59%	0.587	S	S	.	*			trans	-79.1	123.4	-158.8	-160.8	0	0	0	0	112.5	K891 K895 L896	K891-S893 PolarHBondContact O-N 3.24Å; S893-K895 PolarHBondContact O-N 2.89Å; S893-K895 WeakPolarHBondContact OG-CG 3.22Å; S893-L896 PolarHBondContact O-N 2.7Å
894	T	39.9	Very low	49.6	Very low	131 Å²	131	102.8 Å²	102.8	80%	0.804	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-61.1	-4	169.9	44	0	0	0	0	114	I892 L896	I892-T894 PolarHBondContact O-N 3.26Å; T894-L896 PolarHBondContact O-N 2.71Å
895	K	41	Very low	51.4	Low	169 Å²	169	98.2 Å²	98.2	74%	0.735	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-66.5	-5.2	173.4	-69	-179	176.8	-179.8	0	115.3	S893	S893-K895 PolarHBondContact O-N 2.89Å; S893-K895 WeakPolarHBondContact OG-CG 3.22Å
896	L	46.5	Very low	53.1	Low	155 Å²	155	94.2 Å²	94.2	81%	0.812	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-86.3	-11.6	-178.8	-121.1	78.4	0	0	0	115.2	S893 T894	S893-L896 PolarHBondContact O-N 2.7Å; T894-L896 PolarHBondContact O-N 2.71Å
897	L	52.5	Low	54.4	Low	79 Å²	79	87.2 Å²	87.2	41%	0.414	48%	0.484	S	S	.	.	S	Bend	trans	-86.7	129.4	172.3	-82	73.2	0	0	0	109.6	N861 S899	N861-L897 HydrophobicContact CB-CB 4.45Å; N861-L897 HydrophobicContact CB-CD2 4.09Å; L897-S899 PolarHBondContact O-N 3.13Å
898	G	56.7	Low	55.4	Low	14 Å²	14	85.5 Å²	85.5	14%	0.144	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-64.1	129.4	173.8	0	0	0	0	0	111.2	W862 T922	W862-G898 PolarHBondContact N-O 2.89Å; G898-T922 WeakPolarHBondContact CA-O 3.23Å
899	S	61.1	Low	56.5	Low	52 Å²	52	82.2 Å²	82.2	36%	0.364	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.1	175	60.1	0	0	0	0	110.7	L897 C921 T922	L897-S899 PolarHBondContact O-N 3.13Å; S899-C921 CarbonylContact O-C 3.47Å; S899-C921 VanDerWaalsContact O-CA 3.29Å; S899-C921 WeakPolarHBondContact O-CA 3.27Å; S899-T922 PolarHBondContact N-OG1 3.34Å; S899-T922 VanDerWaalsContact N-OG1 3.1Å; S899-T922 PolarHBondContact O-N 2.94Å; S899-T922 PolarHBondContact O-OG1 3.33Å; S899-T922 PolarHBondContact OG-OG1 3.25Å
900	C	77.3	Confident	57.8	Low	6 Å²	6	82.3 Å²	82.3	4%	0.041	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158.5	171.8	-62	0	0	0	0	108.9	C860 V918 C921	C860-C900 PolarHBondContact N-O 3Å; C860-C900 WeakPolarHBondContact O-CA 3.12Å; C860-C900 WeakPolarHBondContact O-CB 2.99Å; C860-C900 PolarHBondContact O-N 2.67Å; C860-C900 VanDerWaalsContact O-O 3.05Å; C860-C900 PolarHBondContact SG-O 2.86Å; C900-V918 HydrophobicContact CB-CG1 3.64Å; C900-C921 HydrophobicContact CB-CB 4.17Å; C900-C921 WeakPolarHBondContact CB-SG 3.42Å; C900-C921 WeakPolarHBondContact SG-CA 3.21Å; C900-C921 WeakPolarHBondContact SG-CB 3.47Å; C900-C921 CovalentContact SG-SG 2.04Å; C900-C921 PolarHBondContact SG-SG 2.87Å
901	L	82.3	Confident	59.4	Low	39 Å²	39	75.1 Å²	75.1	20%	0.204	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.2	165.8	-76.8	168.1	0	0	0	109.2	W857 D859 V918 K919 N920	W857-L901 HydrophobicContact CB-CD2 4.47Å; W857-L901 HydrophobicContact CE3-CB 3.99Å; W857-L901 WeakPolarHBondContact CZ3-O 3.15Å; D859-L901 VanDerWaalsContact OD1-CD2 3.27Å; D859-L901 WeakPolarHBondContact OD1-CD2 3.48Å; L901-V918 CarbonylContact O-C 3.58Å; L901-V918 VanDerWaalsContact O-CA 3.31Å; L901-V918 WeakPolarHBondContact O-CA 3.3Å; L901-K919 HydrophobicContact CB-CG 3.76Å; L901-K919 HydrophobicContact CD1-CG 4.45Å; L901-K919 PolarHBondContact N-O 3.03Å; L901-K919 PolarHBondContact O-N 3.06Å; L901-N920 HydrophobicContact CD1-CB 4.33Å
902	C	83	Confident	60.5	Low	5 Å²	5	72.1 Å²	72.1	3%	0.034	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.4	176.9	-74.4	0	0	0	0	111.4	W857 Y858 C860 Q916 Q917	W857-C902 CarbonylContact C-O 3.54Å; W857-C902 VanDerWaalsContact CA-O 3.3Å; W857-C902 WeakPolarHBondContact CA-O 3.45Å; W857-C902 VanDerWaalsContact CE3-C 3.48Å; Y858-C902 WeakPolarHBondContact CD1-O 2.98Å; Y858-C902 HydrophobicContact CD2-CB 4.15Å; Y858-C902 HydrophobicContact CE1-CB 4.05Å; Y858-C902 HydrophobicContact CE2-CB 3.6Å; Y858-C902 PolarHBondContact N-O 3.22Å; Y858-C902 PolarHBondContact O-N 3.41Å; C860-C902 HydrophobicContact CB-CB 3.78Å; C860-C902 WeakPolarHBondContact CB-SG 3.44Å; C860-C902 WeakPolarHBondContact SG-CB 3.42Å; C860-C902 PolarHBondContact SG-N 2.83Å; C860-C902 CovalentContact SG-SG 2.03Å; C860-C902 PolarHBondContact SG-SG 2.89Å; C902-Q916 PolarHBondContact SG-NE2 3.35Å; C902-Q917 CarbonylContact C-O 3.58Å; C902-Q917 WeakPolarHBondContact CA-O 3.36Å
903	R	82.3	Confident	61.3	Low	41 Å²	41	70.7 Å²	70.7	16%	0.155	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.7	157.2	66.5	176.5	-176	170.6	-1.9	110.8	W854 T855 W857 Q916 Q917	W854-R903 HydrophobicContact CB-CG 4.5Å; W854-R903 HydrophobicContact CD2-CG 4.49Å; W854-R903 HydrophobicContact CE3-CG 3.89Å; T855-R903 WeakPolarHBondContact OG1-CA 3.47Å; T855-R903 WeakPolarHBondContact OG1-CB 3.29Å; W857-R903 HydrophobicContact CD2-CB 4.09Å; W857-R903 HydrophobicContact CD2-CG 3.98Å; W857-R903 VanDerWaalsContact CE2-CD 3.46Å; W857-R903 HydrophobicContact CE3-CB 3.96Å; W857-R903 HydrophobicContact CE3-CG 3.86Å; W857-R903 HydrophobicContact CH2-CG 3.83Å; W857-R903 HydrophobicContact CZ2-CG 3.95Å; W857-R903 VanDerWaalsContact CZ2-NE 3.33Å; W857-R903 HydrophobicContact CZ3-CB 4.31Å; W857-R903 HydrophobicContact CZ3-CG 3.78Å; R903-Q916 WeakPolarHBondContact O-CA 3.44Å; R903-Q917 HydrophobicContact CG-CB 4.01Å; R903-Q917 VanDerWaalsContact CZ-OE1 3.31Å; R903-Q917 PolarHBondContact N-O 3.3Å; R903-Q917 PolarHBondContact O-N 3.16Å
904	L	75.2	Confident	62.4	Low	70 Å²	70	69.4 Å²	69.4	37%	0.366	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.1	178.8	-72	164.4	0	0	0	110.7	W854 T855 Y858 Q916	W854-L904 CarbonylContact C-O 3.54Å; W854-L904 WeakPolarHBondContact CA-O 3.4Å; T855-L904 HydrophobicContact CG2-CB 3.92Å; T855-L904 PolarHBondContact N-O 3.17Å; T855-L904 PolarHBondContact OG1-N 3.38Å; Y858-L904 HydrophobicContact CE1-CD1 4.47Å; Y858-L904 HydrophobicContact CE1-CG 4.33Å; L904-Q916 HydrophobicContact CD2-CB 4.12Å; L904-Q916 HydrophobicContact CD2-CG 4.14Å
905	C	74.3	Confident	63.8	Low	20 Å²	20	67.8 Å²	67.8	14%	0.135	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-70.2	139.4	167.5	175.2	0	0	0	0	110.5	W854 S907 C911 I915	W854-C905 HydrophobicContact CE3-CB 4.16Å; W854-C905 HydrophobicContact CH2-CB 4.17Å; W854-C905 HydrophobicContact CZ3-CB 3.86Å; C905-S907 PolarHBondContact SG-N 3.22Å; C905-S907 PolarHBondContact SG-O 3.18Å; C905-C911 HydrophobicContact CB-CB 3.77Å; C905-C911 WeakPolarHBondContact CB-SG 3.4Å; C905-C911 WeakPolarHBondContact SG-CB 3.3Å; C905-C911 CovalentContact SG-SG 2.02Å; C905-C911 PolarHBondContact SG-SG 2.61Å; C905-I915 WeakPolarHBondContact CB-O 3.26Å; C905-I915 PolarHBondContact N-O 3.44Å
906	I	71	Confident	65.4	Low	70 Å²	70	64.2 Å²	64.2	36%	0.359	36%	0.355	S	S	.	.			trans	-110.9	-33.6	169.5	-51.4	175.5	0	0	0	110.1	S853 T855	S853-I906 PolarHBondContact O-N 2.96Å; T855-I906 HydrophobicContact CG2-CD1 4.05Å; T855-I906 HydrophobicContact CG2-CG1 4.13Å
907	S	60	Low	67	Low	20 Å²	20	59.1 Å²	59.1	14%	0.14	33%	0.327	C	S	.	.			trans	-92.4	116.7	-175.7	-179.9	0	0	0	0	114.6	S853 C905 V909 H910 C911	S853-S907 VanDerWaalsContact CB-CB 3.48Å; S853-S907 PolarHBondContact O-N 3.36Å; S853-S907 VanDerWaalsContact O-N 3.15Å; S853-S907 VanDerWaalsContact OG-CB 3.23Å; S853-S907 WeakPolarHBondContact OG-CB 3.46Å; C905-S907 PolarHBondContact SG-N 3.22Å; C905-S907 PolarHBondContact SG-O 3.18Å; S907-V909 PolarHBondContact O-N 3.42Å; S907-V909 WeakPolarHBondContact OG-CG2 3.15Å; S907-V909 PolarHBondContact OG-N 2.87Å; S907-H910 PolarHBondContact OG-CD2 3.34Å; S907-H910 VanDerWaalsContact OG-CD2 3.25Å; S907-H910 PolarHBondContact OG-N 3.39Å; S907-C911 PolarHBondContact O-N 2.72Å; S907-C911 PolarHBondContact O-SG 3.25Å
908	Q	54.3	Low	68.2	Low	104 Å²	104	59 Å²	59	49%	0.486	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.9	176.8	-56	-171.2	40.4	0	0	114.3	L190 S191	L190-Q908 PolarHBondContact O-NE2 2.84Å; L190-Q908 PolarHBondContact O-OE1 3.03Å; S191-Q908 VanDerWaalsContact CB-C 3.43Å; S191-Q908 WeakPolarHBondContact CB-O 3.13Å
909	V	56.5	Low	69.3	Low	74 Å²	74	61.8 Å²	61.8	45%	0.448	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-40.1	173.3	-115.5	0	0	0	0	112.6	S191 S907	S191-V909 WeakPolarHBondContact O-CG2 3.43Å; S907-V909 PolarHBondContact O-N 3.42Å; S907-V909 WeakPolarHBondContact OG-CG2 3.15Å; S907-V909 PolarHBondContact OG-N 2.87Å
910	H	57.1	Low	69.9	Low	69 Å²	69	64.9 Å²	64.9	32%	0.319	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.2	-167	-62	-52.8	0	0	0	114.1	S853 S907 V912	S853-H910 WeakPolarHBondContact OG-CB 3.29Å; S853-H910 PolarHBondContact OG-CD2 2.81Å; S907-H910 PolarHBondContact OG-CD2 3.34Å; S907-H910 VanDerWaalsContact OG-CD2 3.25Å; S907-H910 PolarHBondContact OG-N 3.39Å; H910-V912 VanDerWaalsContact C-N 3.35Å; H910-V912 PolarHBondContact O-N 2.91Å
911	C	66.8	Low	69.6	Low	22 Å²	22	67.6 Å²	67.6	15%	0.149	37%	0.368	C	S	.	.			trans	-90.4	58.1	-178.5	-57.1	0	0	0	0	113.7	W854 C905 S907 L913 G914	W854-C911 HydrophobicContact CH2-CB 4.25Å; W854-C911 HydrophobicContact CZ2-CB 4.07Å; C905-C911 HydrophobicContact CB-CB 3.77Å; C905-C911 WeakPolarHBondContact CB-SG 3.4Å; C905-C911 WeakPolarHBondContact SG-CB 3.3Å; C905-C911 CovalentContact SG-SG 2.02Å; C905-C911 PolarHBondContact SG-SG 2.61Å; S907-C911 PolarHBondContact O-N 2.72Å; S907-C911 PolarHBondContact O-SG 3.25Å; C911-L913 PolarHBondContact O-N 2.99Å; C911-G914 PolarHBondContact O-N 2.77Å
912	V	59.3	Low	68.6	Low	132 Å²	132	69.1 Å²	69.1	80%	0.8	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.1	179.5	-167.3	0	0	0	0	113.1	H910	H910-V912 VanDerWaalsContact C-N 3.35Å; H910-V912 PolarHBondContact O-N 2.91Å
913	L	53.9	Low	67.1	Low	149 Å²	149	76 Å²	76	78%	0.78	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	17	-176.8	-61.5	173.5	0	0	0	114.1	C911	C911-L913 PolarHBondContact O-N 2.99Å
914	G	59.7	Low	65.7	Low	36 Å²	36	80 Å²	80	37%	0.371	42%	0.423	S	S	.	.			trans	102.4	172.9	174.7	0	0	0	0	0	115.3	W854 C911 Q916	W854-G914 WeakPolarHBondContact CH2-O 3.31Å; C911-G914 PolarHBondContact O-N 2.77Å; G914-Q916 PolarHBondContact O-N 3.03Å
915	I	69.6	Low	64.6	Low	98 Å²	98	82.4 Å²	82.4	50%	0.503	44%	0.437	S	S	.	.	S	Bend	trans	-78.5	-11.9	-167.5	64.6	177.5	0	0	0	115.3	C905	C905-I915 WeakPolarHBondContact CB-O 3.26Å; C905-I915 PolarHBondContact N-O 3.44Å
916	Q	74.1	Confident	63.8	Low	93 Å²	93	87.1 Å²	87.1	44%	0.435	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.3	-175.9	-174.5	179.6	-3.4	0	0	109.4	C902 R903 L904 G914 V918	C902-Q916 PolarHBondContact SG-NE2 3.35Å; R903-Q916 WeakPolarHBondContact O-CA 3.44Å; L904-Q916 HydrophobicContact CD2-CB 4.12Å; L904-Q916 HydrophobicContact CD2-CG 4.14Å; G914-Q916 PolarHBondContact O-N 3.03Å; Q916-V918 HydrophobicContact CG-CG2 4.32Å
917	Q	79.8	Confident	63.7	Low	48 Å²	48	86.7 Å²	86.7	22%	0.224	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	168.3	-76.7	177.5	-6.8	0	0	109.8	W854 W857 C902 R903	W854-Q917 HydrophobicContact CE3-CG 4.4Å; W854-Q917 HydrophobicContact CH2-CG 3.58Å; W854-Q917 HydrophobicContact CZ2-CG 4.27Å; W854-Q917 HydrophobicContact CZ3-CB 4.11Å; W854-Q917 HydrophobicContact CZ3-CG 3.65Å; W857-Q917 HydrophobicContact CH2-CB 3.94Å; W857-Q917 HydrophobicContact CZ3-CB 4.37Å; C902-Q917 CarbonylContact C-O 3.58Å; C902-Q917 WeakPolarHBondContact CA-O 3.36Å; R903-Q917 HydrophobicContact CG-CB 4.01Å; R903-Q917 VanDerWaalsContact CZ-OE1 3.31Å; R903-Q917 PolarHBondContact N-O 3.3Å; R903-Q917 PolarHBondContact O-N 3.16Å
918	V	78	Confident	64.7	Low	76 Å²	76	87.7 Å²	87.7	46%	0.461	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.8	178.5	-167.2	0	0	0	0	108.4	C900 L901 Q916 C921	C900-V918 HydrophobicContact CB-CG1 3.64Å; L901-V918 CarbonylContact O-C 3.58Å; L901-V918 VanDerWaalsContact O-CA 3.31Å; L901-V918 WeakPolarHBondContact O-CA 3.3Å; Q916-V918 HydrophobicContact CG-CG2 4.32Å; V918-C921 VanDerWaalsContact CG1-SG 3.52Å
919	K	79.9	Confident	66	Low	74 Å²	74	85.7 Å²	85.7	32%	0.322	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	172.2	176.9	74.1	179	-178.6	-170.8	0	111	W857 L901 C921	W857-K919 HydrophobicContact CD2-CD 3.98Å; W857-K919 VanDerWaalsContact CD2-CE 3.45Å; W857-K919 HydrophobicContact CD2-CG 4.44Å; W857-K919 VanDerWaalsContact CE2-NZ 3.35Å; W857-K919 HydrophobicContact CE3-CD 3.95Å; W857-K919 HydrophobicContact CE3-CG 3.9Å; W857-K919 HydrophobicContact CH2-CB 4.07Å; W857-K919 HydrophobicContact CH2-CD 3.68Å; W857-K919 HydrophobicContact CH2-CG 3.82Å; W857-K919 HydrophobicContact CZ2-CD 3.69Å; W857-K919 HydrophobicContact CZ2-CG 4.35Å; W857-K919 HydrophobicContact CZ3-CB 4.08Å; W857-K919 HydrophobicContact CZ3-CD 3.81Å; W857-K919 HydrophobicContact CZ3-CG 3.58Å; L901-K919 HydrophobicContact CB-CG 3.76Å; L901-K919 HydrophobicContact CD1-CG 4.45Å; L901-K919 PolarHBondContact N-O 3.03Å; L901-K919 PolarHBondContact O-N 3.06Å; K919-C921 PolarHBondContact O-N 3.47Å; K919-C921 VanDerWaalsContact O-N 3.07Å
920	N	73.2	Confident	67.2	Low	116 Å²	116	87.6 Å²	87.6	62%	0.62	46%	0.462	S	S	*	.			trans	53.7	28.7	171.7	-61.1	20.6	0	0	0	114.7	L901 T922	L901-N920 HydrophobicContact CD1-CB 4.33Å; N920-T922 PolarHBondContact O-N 2.94Å; N920-T922 VanDerWaalsContact O-N 3.12Å
921	C	70.9	Confident	68.6	Low	63 Å²	63	88 Å²	88	43%	0.426	46%	0.461	S	S	.	.			trans	-65.1	111.2	177.8	-75.1	0	0	0	0	111.7	S899 C900 V918 K919 R923	S899-C921 CarbonylContact O-C 3.47Å; S899-C921 VanDerWaalsContact O-CA 3.29Å; S899-C921 WeakPolarHBondContact O-CA 3.27Å; C900-C921 HydrophobicContact CB-CB 4.17Å; C900-C921 WeakPolarHBondContact CB-SG 3.42Å; C900-C921 WeakPolarHBondContact SG-CA 3.21Å; C900-C921 WeakPolarHBondContact SG-CB 3.47Å; C900-C921 CovalentContact SG-SG 2.04Å; C900-C921 PolarHBondContact SG-SG 2.87Å; V918-C921 VanDerWaalsContact CG1-SG 3.52Å; K919-C921 PolarHBondContact O-N 3.47Å; K919-C921 VanDerWaalsContact O-N 3.07Å; C921-R923 PolarHBondContact O-N 3.29Å
922	T	61.3	Low	69.6	Low	71 Å²	71	89.5 Å²	89.5	44%	0.436	47%	0.472	S	S	.	.			trans	-80.3	95.9	174.7	53.3	0	0	0	0	110.1	G898 S899 N920	G898-T922 WeakPolarHBondContact CA-O 3.23Å; S899-T922 PolarHBondContact N-OG1 3.34Å; S899-T922 VanDerWaalsContact N-OG1 3.1Å; S899-T922 PolarHBondContact O-N 2.94Å; S899-T922 PolarHBondContact O-OG1 3.33Å; S899-T922 PolarHBondContact OG-OG1 3.25Å; N920-T922 PolarHBondContact O-N 2.94Å; N920-T922 VanDerWaalsContact O-N 3.12Å
923	R	52.9	Low	70.9	Confident	150 Å²	150	90.5 Å²	90.5	57%	0.566	47%	0.471	S	S	*	.			trans	-94.3	108	171.4	-174.3	173.9	-175.2	143.8	2.7	109.4	C921 D925	C921-R923 PolarHBondContact O-N 3.29Å; R923-D925 PolarHBondContact O-N 3.36Å; R923-D925 VanDerWaalsContact O-N 3.12Å
924	F	51.9	Low	72.5	Confident	124 Å²	124	86.3 Å²	86.3	54%	0.544	45%	0.445	S	S	.	.			trans	-56.8	117.7	174.1	-82.9	-81.6	0	0	0	110.8	Q926	F924-Q926 HydrophobicContact CD1-CG 4.34Å
925	D	52.5	Low	73.8	Confident	121 Å²	121	87 Å²	87	65%	0.647	44%	0.444	S	S	*	.			trans	-101.4	1.4	-170.6	56	-20.2	0	0	0	113.1	R923 N927 W928	R923-D925 PolarHBondContact O-N 3.36Å; R923-D925 VanDerWaalsContact O-N 3.12Å; D925-N927 PolarHBondContact O-N 3.25Å; D925-W928 PolarHBondContact O-N 2.88Å
926	Q	56.9	Low	74.5	Confident	119 Å²	119	89.4 Å²	89.4	56%	0.556	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	1.8	-175.6	-57.2	-174.3	8.2	0	0	116.1	F924 W928 R951	F924-Q926 HydrophobicContact CD1-CG 4.34Å; Q926-W928 VanDerWaalsContact C-N 3.3Å; Q926-R951 VanDerWaalsContact O-CZ 3.25Å; Q926-R951 PolarHBondContact O-NH1 3.21Å
927	N	69.7	Low	75	Confident	62 Å²	62	87.3 Å²	87.3	33%	0.332	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.5	174.1	-70.8	-9.1	0	0	0	112.5	D925 R951 A954 V955 C956	D925-N927 PolarHBondContact O-N 3.25Å; N927-R951 WeakPolarHBondContact O-CG 3.26Å; N927-R951 PolarHBondContact O-N 2.89Å; N927-A954 HydrophobicContact CB-CB 3.9Å; N927-V955 PolarHBondContact ND2-O 3.14Å; N927-C956 VanDerWaalsContact C-SG 3.54Å; N927-C956 PolarHBondContact O-SG 3.07Å
928	W	79.4	Confident	75.2	Confident	40 Å²	40	88 Å²	88	15%	0.152	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-79	141.5	174.3	-71.4	109.1	0	0	0	112.2	D925 Q926 R948 C950 C956 S957 G958	D925-W928 PolarHBondContact O-N 2.88Å; Q926-W928 VanDerWaalsContact C-N 3.3Å; W928-R948 HydrophobicContact CD2-CG 4.35Å; W928-R948 VanDerWaalsContact CD2-CZ 3.46Å; W928-R948 VanDerWaalsContact CE2-CZ 3.46Å; W928-R948 HydrophobicContact CE3-CG 3.63Å; W928-R948 HydrophobicContact CZ3-CG 3.89Å; W928-C950 HydrophobicContact CZ3-CB 4.43Å; W928-C956 HydrophobicContact CD2-CB 4Å; W928-C956 HydrophobicContact CE3-CB 4.3Å; W928-C956 HydrophobicContact CH2-CB 3.97Å; W928-C956 HydrophobicContact CZ2-CB 3.62Å; W928-C956 HydrophobicContact CZ3-CB 4.29Å; W928-S957 WeakPolarHBondContact CZ2-O 3.2Å; W928-S957 PolarHBondContact NE1-O 3.03Å; W928-G958 VanDerWaalsContact CZ2-O 3.29Å; W928-G958 WeakPolarHBondContact CZ2-O 3.39Å
929	L	82.7	Confident	75.1	Confident	63 Å²	63	90.4 Å²	90.4	33%	0.33	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-78.7	161.4	163.1	-68.2	167.1	0	0	0	110.4	Q949 R951	L929-Q949 WeakPolarHBondContact CB-O 3.13Å; L929-Q949 HydrophobicContact CD1-CB 3.87Å; L929-Q949 PolarHBondContact N-O 2.87Å; L929-R951 HydrophobicContact CD2-CG 4.11Å; L929-R951 HydrophobicContact CG-CG 4.15Å
930	P	81.5	Confident	75.1	Confident	113 Å²	113	92.6 Å²	92.6	73%	0.734	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-54.9	153.1	178	-26.9	35.9	0	0	0	113.7
931	W	86.2	Confident	75.5	Confident	77 Å²	77	90.7 Å²	90.7	29%	0.292	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-68.9	147.1	170.9	-70.8	109.2	0	0	0	111.6	R946 K947 R948 E962	W931-R946 HydrophobicContact CD2-CG 4.26Å; W931-R946 HydrophobicContact CE3-CG 3.78Å; W931-R946 HydrophobicContact CZ3-CG 4.28Å; W931-K947 VanDerWaalsContact CE3-C 3.46Å; W931-R948 HydrophobicContact CD2-CB 4.02Å; W931-R948 HydrophobicContact CD2-CG 4.06Å; W931-R948 HydrophobicContact CE3-CB 3.72Å; W931-R948 HydrophobicContact CE3-CG 3.73Å; W931-R948 HydrophobicContact CH2-CG 3.82Å; W931-R948 HydrophobicContact CZ2-CG 4.14Å; W931-R948 VanDerWaalsContact CZ2-NE 3.3Å; W931-R948 HydrophobicContact CZ3-CB 4.09Å; W931-R948 HydrophobicContact CZ3-CG 3.61Å; W931-E962 HydrophobicContact CH2-CB 3.69Å; W931-E962 HydrophobicContact CZ2-CB 4.26Å; W931-E962 VanDerWaalsContact CZ2-OE2 3.24Å; W931-E962 WeakPolarHBondContact CZ2-OE2 3.12Å; W931-E962 HydrophobicContact CZ3-CB 3.83Å
932	S	88.3	Confident	76	Confident	54 Å²	54	91.3 Å²	91.3	38%	0.378	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-64.3	165.4	163.6	73.5	0	0	0	0	111.5	R946 K947	S932-R946 WeakPolarHBondContact OG-CA 3.18Å; S932-K947 PolarHBondContact N-O 3.33Å; S932-K947 PolarHBondContact OG-N 2.77Å; S932-K947 PolarHBondContact OG-O 2.79Å
933	I	86.7	Confident	77	Confident	153 Å²	153	90.6 Å²	90.6	79%	0.785	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-54.5	156.2	156.9	58.6	175.5	0	0	0	110.9
934	W	86.7	Confident	78.7	Confident	61 Å²	61	85 Å²	85	23%	0.231	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-66.6	145.6	167.1	-69.3	111.3	0	0	0	110.3	Q944 R946 E962 R964	W934-Q944 HydrophobicContact CB-CB 4.33Å; W934-Q944 HydrophobicContact CE3-CB 4.01Å; W934-R946 HydrophobicContact CD2-CB 4.11Å; W934-R946 HydrophobicContact CD2-CG 4.14Å; W934-R946 HydrophobicContact CE3-CB 3.82Å; W934-R946 HydrophobicContact CE3-CG 3.86Å; W934-R946 HydrophobicContact CH2-CG 3.84Å; W934-R946 HydrophobicContact CZ2-CG 4.1Å; W934-R946 HydrophobicContact CZ3-CB 4.12Å; W934-R946 HydrophobicContact CZ3-CG 3.7Å; W934-E962 HydrophobicContact CH2-CB 4.4Å; W934-E962 HydrophobicContact CH2-CG 4.02Å; W934-R964 HydrophobicContact CD2-CG 4.13Å; W934-R964 HydrophobicContact CE3-CG 3.99Å; W934-R964 HydrophobicContact CH2-CB 3.82Å; W934-R964 HydrophobicContact CH2-CG 3.8Å; W934-R964 HydrophobicContact CZ2-CB 4.17Å; W934-R964 HydrophobicContact CZ2-CG 3.92Å; W934-R964 HydrophobicContact CZ3-CB 4.15Å; W934-R964 HydrophobicContact CZ3-CG 3.84Å
935	S	86.8	Confident	80.4	Confident	52 Å²	52	82 Å²	82	36%	0.364	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-65.6	164.8	167.1	69.2	0	0	0	0	111.7	Q944 I945	S935-Q944 VanDerWaalsContact O-CD 3.25Å; S935-Q944 VanDerWaalsContact O-CG 3.27Å; S935-Q944 WeakPolarHBondContact O-CG 3.49Å; S935-Q944 PolarHBondContact O-NE2 3.12Å; S935-I945 PolarHBondContact N-O 2.82Å; S935-I945 PolarHBondContact OG-N 3.28Å
936	D	84.6	Confident	82.3	Confident	147 Å²	147	79.2 Å²	79.2	79%	0.786	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-54	160.4	158.4	-62.8	-63.6	0	0	0	111.4	D938	D936-D938 PolarHBondContact O-N 3.02Å
937	C	85.5	Confident	84	Confident	50 Å²	50	79.5 Å²	79.5	34%	0.338	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-72.3	120.9	175.7	-172.7	0	0	0	0	110.4	P939 Q944 C966	C937-P939 WeakPolarHBondContact O-CD 3.26Å; C937-Q944 HydrophobicContact CB-CG 4.47Å; C937-C966 VanDerWaalsContact CA-SG 3.54Å; C937-C966 HydrophobicContact CB-CB 3.94Å; C937-C966 WeakPolarHBondContact CB-SG 3.3Å; C937-C966 WeakPolarHBondContact SG-CB 3.45Å; C937-C966 CovalentContact SG-SG 2.03Å; C937-C966 PolarHBondContact SG-SG 3.12Å
938	D	83.5	Confident	84.9	Confident	63 Å²	63	79.1 Å²	79.1	34%	0.337	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.6	116.3	170.1	-176.8	-29.5	0	0	0	109.3	D936 T940 T941 N942 I943	D936-D938 PolarHBondContact O-N 3.02Å; D938-T940 PolarHBondContact O-N 2.68Å; D938-T940 WeakPolarHBondContact OD1-CA 3.44Å; D938-T940 WeakPolarHBondContact OD1-CB 3.44Å; D938-T940 PolarHBondContact OD1-N 3.5Å; D938-T940 PolarHBondContact OD1-OG1 2.83Å; D938-T941 PolarHBondContact O-N 2.72Å; D938-T941 PolarHBondContact OD1-N 3.35Å; D938-N942 VanDerWaalsContact O-CA 3.31Å; D938-N942 WeakPolarHBondContact O-CA 3.23Å; D938-N942 PolarHBondContact O-N 3.1Å; D938-I943 PolarHBondContact N-O 3.02Å; D938-I943 VanDerWaalsContact N-O 3.15Å
939	P	77	Confident	85.2	Confident	125 Å²	125	84 Å²	84	81%	0.812	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.1	-177.6	30.6	-36.3	0	0	0	113.4	C937	C937-P939 WeakPolarHBondContact O-CD 3.26Å
940	T	79.3	Confident	85.2	Confident	120 Å²	120	83.4 Å²	83.4	74%	0.736	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-29.5	177.5	72.9	0	0	0	0	112.9	D938	D938-T940 PolarHBondContact O-N 2.68Å; D938-T940 WeakPolarHBondContact OD1-CA 3.44Å; D938-T940 WeakPolarHBondContact OD1-CB 3.44Å; D938-T940 PolarHBondContact OD1-N 3.5Å; D938-T940 PolarHBondContact OD1-OG1 2.83Å
941	T	80.7	Confident	85.2	Confident	76 Å²	76	84.1 Å²	84.1	47%	0.466	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-7.7	-179.5	73.8	0	0	0	0	115	D938 I943	D938-T941 PolarHBondContact O-N 2.72Å; D938-T941 PolarHBondContact OD1-N 3.35Å; T941-I943 VanDerWaalsContact C-N 3.29Å; T941-I943 WeakPolarHBondContact O-CG1 3.24Å; T941-I943 PolarHBondContact O-N 2.88Å
942	N	81.4	Confident	84.6	Confident	76 Å²	76	86 Å²	86	41%	0.406	46%	0.461	S	S	.	.			trans	54.7	38.3	-178.8	-156.7	29.5	0	0	0	114.1	D938 C966	D938-N942 VanDerWaalsContact O-CA 3.31Å; D938-N942 WeakPolarHBondContact O-CA 3.23Å; D938-N942 PolarHBondContact O-N 3.1Å; N942-C966 PolarHBondContact O-N 3.16Å; N942-C966 VanDerWaalsContact O-N 3.14Å; N942-C966 PolarHBondContact O-SG 3Å; N942-C966 VanDerWaalsContact O-SG 3.36Å; N942-C966 WeakPolarHBondContact OD1-CB 3.46Å
943	I	82.4	Confident	83.5	Confident	57 Å²	57	92 Å²	92	29%	0.292	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.5	-174	-73.8	163.2	0	0	0	110.6	D938 T941 I945 R963 R964 C966	D938-I943 PolarHBondContact N-O 3.02Å; D938-I943 VanDerWaalsContact N-O 3.15Å; T941-I943 VanDerWaalsContact C-N 3.29Å; T941-I943 WeakPolarHBondContact O-CG1 3.24Å; T941-I943 PolarHBondContact O-N 2.88Å; I943-I945 HydrophobicContact CG2-CG1 4.02Å; I943-R963 HydrophobicContact CG2-CB 4.03Å; I943-R964 WeakPolarHBondContact CA-O 3.24Å; I943-C966 PolarHBondContact N-SG 2.9Å; I943-C966 VanDerWaalsContact N-SG 3.41Å
944	Q	90	Very high	82.6	Confident	33 Å²	33	86.1 Å²	86.1	15%	0.154	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.5	164.2	-64.5	-173.3	-26.5	0	0	111	W934 S935 C937 R963 R964	W934-Q944 HydrophobicContact CB-CB 4.33Å; W934-Q944 HydrophobicContact CE3-CB 4.01Å; S935-Q944 VanDerWaalsContact O-CD 3.25Å; S935-Q944 VanDerWaalsContact O-CG 3.27Å; S935-Q944 WeakPolarHBondContact O-CG 3.49Å; S935-Q944 PolarHBondContact O-NE2 3.12Å; C937-Q944 HydrophobicContact CB-CG 4.47Å; Q944-R963 CarbonylContact O-C 3.53Å; Q944-R963 VanDerWaalsContact O-CA 3.27Å; Q944-R963 WeakPolarHBondContact O-CA 3.41Å; Q944-R964 HydrophobicContact CB-CG 4.12Å; Q944-R964 PolarHBondContact N-O 3.12Å; Q944-R964 PolarHBondContact O-N 3.34Å; Q944-R964 VanDerWaalsContact OE1-CZ 3.25Å
945	I	87.3	Confident	81.6	Confident	61 Å²	61	89 Å²	89	31%	0.313	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.2	-175.8	-54.5	-177.4	0	0	0	111	S935 I943 I961 E962 R963	S935-I945 PolarHBondContact N-O 2.82Å; S935-I945 PolarHBondContact OG-N 3.28Å; I943-I945 HydrophobicContact CG2-CG1 4.02Å; I945-I961 HydrophobicContact CG2-CG2 3.59Å; I945-E962 WeakPolarHBondContact CA-O 3.17Å; I945-R963 HydrophobicContact CG1-CG 4.25Å
946	R	92.7	Very high	80.8	Confident	61 Å²	61	88 Å²	88	23%	0.23	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	158	167.6	70	178.4	-174.6	-169.1	-8.6	112.1	W931 S932 W934 I961 E962	W931-R946 HydrophobicContact CD2-CG 4.26Å; W931-R946 HydrophobicContact CE3-CG 3.78Å; W931-R946 HydrophobicContact CZ3-CG 4.28Å; S932-R946 WeakPolarHBondContact OG-CA 3.18Å; W934-R946 HydrophobicContact CD2-CB 4.11Å; W934-R946 HydrophobicContact CD2-CG 4.14Å; W934-R946 HydrophobicContact CE3-CB 3.82Å; W934-R946 HydrophobicContact CE3-CG 3.86Å; W934-R946 HydrophobicContact CH2-CG 3.84Å; W934-R946 HydrophobicContact CZ2-CG 4.1Å; W934-R946 HydrophobicContact CZ3-CB 4.12Å; W934-R946 HydrophobicContact CZ3-CG 3.7Å; R946-I961 WeakPolarHBondContact O-CA 3.04Å; R946-E962 HydrophobicContact CG-CB 3.89Å; R946-E962 IonicContact CZ-OE1 2.7Å; R946-E962 IonicContact CZ-OE2 3.76Å; R946-E962 PolarHBondContact N-O 3.26Å; R946-E962 VanDerWaalsContact NE-CD 3.31Å; R946-E962 IonicContact NE-OE1 3.79Å; R946-E962 IonicContact NE-OE2 2.75Å; R946-E962 PolarHBondContact NE-OE2 3.45Å; R946-E962 IonicContact NH2-OE1 3.49Å; R946-E962 PolarHBondContact NH2-OE1 3.09Å; R946-E962 IonicContact NH2-OE2 3.62Å; R946-E962 PolarHBondContact NH2-OE2 2.03Å; R946-E962 PolarHBondContact O-N 2.99Å
947	K	90.6	Very high	79.6	Confident	126 Å²	126	84.9 Å²	84.9	55%	0.548	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	-173.4	-56.7	-175.7	-177.3	173.6	0	112.2	W931 S932 S960 I961	W931-K947 VanDerWaalsContact CE3-C 3.46Å; S932-K947 PolarHBondContact N-O 3.33Å; S932-K947 PolarHBondContact OG-N 2.77Å; S932-K947 PolarHBondContact OG-O 2.79Å; K947-S960 CarbonylContact C-O 3.49Å; K947-S960 VanDerWaalsContact CA-O 3.28Å; K947-S960 WeakPolarHBondContact CA-O 3.08Å; K947-I961 HydrophobicContact CG-CG1 4.2Å; K947-I961 HydrophobicContact CG-CG2 4.39Å
948	R	89.9	Confident	79	Confident	54 Å²	54	85.2 Å²	85.2	20%	0.204	48%	0.481	C	S	.	.			trans	-143.5	161.9	172.4	64.8	177	175.3	178.8	-1.4	111.4	W928 W931 S959 S960	W928-R948 HydrophobicContact CD2-CG 4.35Å; W928-R948 VanDerWaalsContact CD2-CZ 3.46Å; W928-R948 VanDerWaalsContact CE2-CZ 3.46Å; W928-R948 HydrophobicContact CE3-CG 3.63Å; W928-R948 HydrophobicContact CZ3-CG 3.89Å; W931-R948 HydrophobicContact CD2-CB 4.02Å; W931-R948 HydrophobicContact CD2-CG 4.06Å; W931-R948 HydrophobicContact CE3-CB 3.72Å; W931-R948 HydrophobicContact CE3-CG 3.73Å; W931-R948 HydrophobicContact CH2-CG 3.82Å; W931-R948 HydrophobicContact CZ2-CG 4.14Å; W931-R948 VanDerWaalsContact CZ2-NE 3.3Å; W931-R948 HydrophobicContact CZ3-CB 4.09Å; W931-R948 HydrophobicContact CZ3-CG 3.61Å; R948-S959 PolarHBondContact NE-O 2.98Å; R948-S959 PolarHBondContact NH2-O 3.19Å; R948-S960 PolarHBondContact N-O 3.48Å; R948-S960 WeakPolarHBondContact O-CB 3.49Å
949	Q	85.6	Confident	78.7	Confident	143 Å²	143	85.5 Å²	85.5	67%	0.668	49%	0.488	S	S	*	.			trans	-116	155.7	179.6	-73.2	176.6	-15.8	0	0	111.5	L929	L929-Q949 WeakPolarHBondContact CB-O 3.13Å; L929-Q949 HydrophobicContact CD1-CB 3.87Å; L929-Q949 PolarHBondContact N-O 2.87Å
950	C	83.1	Confident	79.1	Confident	50 Å²	50	82.2 Å²	82.2	34%	0.338	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-88.8	147.1	170.6	-169.2	0	0	0	0	109.9	W928 A954 C956	W928-C950 HydrophobicContact CZ3-CB 4.43Å; C950-A954 PolarHBondContact SG-O 2.93Å; C950-C956 WeakPolarHBondContact CA-SG 3.35Å; C950-C956 HydrophobicContact CB-CB 3.81Å; C950-C956 WeakPolarHBondContact CB-SG 3.44Å; C950-C956 WeakPolarHBondContact SG-CB 3.36Å; C950-C956 CovalentContact SG-SG 2.03Å; C950-C956 PolarHBondContact SG-SG 2.76Å
951	R	80.2	Confident	79.4	Confident	127 Å²	127	79.9 Å²	79.9	48%	0.479	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-67	142.7	170.8	-69.9	175.7	177.5	170.1	-0.8	110.7	Q926 N927 L929 A954	Q926-R951 VanDerWaalsContact O-CZ 3.25Å; Q926-R951 PolarHBondContact O-NH1 3.21Å; N927-R951 WeakPolarHBondContact O-CG 3.26Å; N927-R951 PolarHBondContact O-N 2.89Å; L929-R951 HydrophobicContact CD2-CG 4.11Å; L929-R951 HydrophobicContact CG-CG 4.15Å; R951-A954 HydrophobicContact CB-CB 4.05Å; R951-A954 WeakPolarHBondContact O-CB 3.37Å; R951-A954 PolarHBondContact O-N 3.48Å; R951-A954 VanDerWaalsContact O-N 3.14Å
952	S	74.4	Confident	79.7	Confident	116 Å²	116	79.4 Å²	79.4	81%	0.811	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	141.5	174.2	-53.9	0	0	0	0	111.3	A954	S952-A954 PolarHBondContact O-N 3.19Å
953	N	65.4	Low	80	Confident	182 Å²	182	84.5 Å²	84.5	97%	0.973	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	12.5	-175.2	-58.5	-4.6	0	0	0	115.7
954	A	67.7	Low	80.1	Confident	29 Å²	29	84.3 Å²	84.3	24%	0.24	45%	0.452	C	S	.	.			trans	-104.3	143.8	175.6	0	0	0	0	0	112.3	N927 C950 R951 S952	N927-A954 HydrophobicContact CB-CB 3.9Å; C950-A954 PolarHBondContact SG-O 2.93Å; R951-A954 HydrophobicContact CB-CB 4.05Å; R951-A954 WeakPolarHBondContact O-CB 3.37Å; R951-A954 PolarHBondContact O-N 3.48Å; R951-A954 VanDerWaalsContact O-N 3.14Å; S952-A954 PolarHBondContact O-N 3.19Å
955	V	64.8	Low	79.6	Confident	120 Å²	120	84.5 Å²	84.5	73%	0.727	46%	0.457	S	S	*	.			trans	-89.5	108.6	170.4	-178.7	0	0	0	0	108.8	N927	N927-V955 PolarHBondContact ND2-O 3.14Å
956	C	71.3	Confident	79.2	Confident	33 Å²	33	82.9 Å²	82.9	22%	0.223	45%	0.451	C	S	.	.			trans	-95.2	144.8	174.2	-66.6	0	0	0	0	111.6	N927 W928 C950	N927-C956 VanDerWaalsContact C-SG 3.54Å; N927-C956 PolarHBondContact O-SG 3.07Å; W928-C956 HydrophobicContact CD2-CB 4Å; W928-C956 HydrophobicContact CE3-CB 4.3Å; W928-C956 HydrophobicContact CH2-CB 3.97Å; W928-C956 HydrophobicContact CZ2-CB 3.62Å; W928-C956 HydrophobicContact CZ3-CB 4.29Å; C950-C956 WeakPolarHBondContact CA-SG 3.35Å; C950-C956 HydrophobicContact CB-CB 3.81Å; C950-C956 WeakPolarHBondContact CB-SG 3.44Å; C950-C956 WeakPolarHBondContact SG-CB 3.36Å; C950-C956 CovalentContact SG-SG 2.03Å; C950-C956 PolarHBondContact SG-SG 2.76Å
957	S	59.4	Low	78	Confident	80 Å²	80	85 Å²	85	56%	0.559	47%	0.466	S	S	*	.			trans	-124.7	141.7	173.4	-172.9	0	0	0	0	110.8	W928	W928-S957 WeakPolarHBondContact CZ2-O 3.2Å; W928-S957 PolarHBondContact NE1-O 3.03Å
958	G	72.5	Confident	76.5	Confident	57 Å²	57	84 Å²	84	59%	0.588	47%	0.467	S	S	*	.	S	Bend	trans	102.1	-179.5	-172	0	0	0	0	0	113.6	W928	W928-G958 VanDerWaalsContact CZ2-O 3.29Å; W928-G958 WeakPolarHBondContact CZ2-O 3.39Å
959	S	77	Confident	74.8	Confident	69 Å²	69	84 Å²	84	48%	0.483	47%	0.471	S	S	.	.			trans	-77.2	148.6	-178.5	-172.2	0	0	0	0	113	R948 I961	R948-S959 PolarHBondContact NE-O 2.98Å; R948-S959 PolarHBondContact NH2-O 3.19Å; S959-I961 WeakPolarHBondContact CB-O 3.21Å; S959-I961 PolarHBondContact OG-N 3.41Å; S959-I961 PolarHBondContact OG-O 3.13Å
960	S	85.1	Confident	73.3	Confident	57 Å²	57	84.7 Å²	84.7	40%	0.399	48%	0.479	S	S	.	.	S	Bend	trans	-88.4	-5.6	165.8	54.1	0	0	0	0	113.5	K947 R948	K947-S960 CarbonylContact C-O 3.49Å; K947-S960 VanDerWaalsContact CA-O 3.28Å; K947-S960 WeakPolarHBondContact CA-O 3.08Å; R948-S960 PolarHBondContact N-O 3.48Å; R948-S960 WeakPolarHBondContact O-CB 3.49Å
961	I	86.4	Confident	71.7	Confident	71 Å²	71	86.1 Å²	86.1	36%	0.364	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137	-177.8	-51.6	-176.9	0	0	0	110.1	I945 R946 K947 S959	I945-I961 HydrophobicContact CG2-CG2 3.59Å; R946-I961 WeakPolarHBondContact O-CA 3.04Å; K947-I961 HydrophobicContact CG-CG1 4.2Å; K947-I961 HydrophobicContact CG-CG2 4.39Å; S959-I961 WeakPolarHBondContact CB-O 3.21Å; S959-I961 PolarHBondContact OG-N 3.41Å; S959-I961 PolarHBondContact OG-O 3.13Å
962	E	87.3	Confident	69.8	Low	66 Å²	66	90 Å²	90	31%	0.308	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.9	178.3	-167.3	-174.2	149.4	0	0	110	W931 W934 I945 R946	W931-E962 HydrophobicContact CH2-CB 3.69Å; W931-E962 HydrophobicContact CZ2-CB 4.26Å; W931-E962 VanDerWaalsContact CZ2-OE2 3.24Å; W931-E962 WeakPolarHBondContact CZ2-OE2 3.12Å; W931-E962 HydrophobicContact CZ3-CB 3.83Å; W934-E962 HydrophobicContact CH2-CB 4.4Å; W934-E962 HydrophobicContact CH2-CG 4.02Å; I945-E962 WeakPolarHBondContact CA-O 3.17Å; R946-E962 HydrophobicContact CG-CB 3.89Å; R946-E962 IonicContact CZ-OE1 2.7Å; R946-E962 IonicContact CZ-OE2 3.76Å; R946-E962 PolarHBondContact N-O 3.26Å; R946-E962 VanDerWaalsContact NE-CD 3.31Å; R946-E962 IonicContact NE-OE1 3.79Å; R946-E962 IonicContact NE-OE2 2.75Å; R946-E962 PolarHBondContact NE-OE2 3.45Å; R946-E962 IonicContact NH2-OE1 3.49Å; R946-E962 PolarHBondContact NH2-OE1 3.09Å; R946-E962 IonicContact NH2-OE2 3.62Å; R946-E962 PolarHBondContact NH2-OE2 2.03Å; R946-E962 PolarHBondContact O-N 2.99Å
963	R	87.8	Confident	68.1	Low	182 Å²	182	92.5 Å²	92.5	69%	0.687	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.8	-174.4	-45.6	-174.3	-153.3	-168.4	7.2	109.6	I943 Q944 I945	I943-R963 HydrophobicContact CG2-CB 4.03Å; Q944-R963 CarbonylContact O-C 3.53Å; Q944-R963 VanDerWaalsContact O-CA 3.27Å; Q944-R963 WeakPolarHBondContact O-CA 3.41Å; I945-R963 HydrophobicContact CG1-CG 4.25Å
964	R	83.2	Confident	67	Low	54 Å²	54	93 Å²	93	20%	0.204	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.9	171.4	71.1	171.2	-179	158.8	0.8	111.7	W934 I943 Q944 D968 D969	W934-R964 HydrophobicContact CD2-CG 4.13Å; W934-R964 HydrophobicContact CE3-CG 3.99Å; W934-R964 HydrophobicContact CH2-CB 3.82Å; W934-R964 HydrophobicContact CH2-CG 3.8Å; W934-R964 HydrophobicContact CZ2-CB 4.17Å; W934-R964 HydrophobicContact CZ2-CG 3.92Å; W934-R964 HydrophobicContact CZ3-CB 4.15Å; W934-R964 HydrophobicContact CZ3-CG 3.84Å; I943-R964 WeakPolarHBondContact CA-O 3.24Å; Q944-R964 HydrophobicContact CB-CG 4.12Å; Q944-R964 PolarHBondContact N-O 3.12Å; Q944-R964 PolarHBondContact O-N 3.34Å; Q944-R964 VanDerWaalsContact OE1-CZ 3.25Å; R964-D968 PolarHBondContact NH1-O 2.8Å; R964-D969 IonicContact CZ-OD2 3.08Å; R964-D969 IonicContact NH1-OD2 2.87Å; R964-D969 PolarHBondContact NH1-OD2 3.05Å; R964-D969 IonicContact NH2-OD2 2.7Å; R964-D969 PolarHBondContact NH2-OD2 3Å
965	S	80	Confident	65.7	Low	36 Å²	36	100.9 Å²	100.9	25%	0.252	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.5	170.1	-175.6	0	0	0	0	109.8	L967 D968	S965-L967 PolarHBondContact O-N 3.33Å; S965-L967 PolarHBondContact OG-N 2.9Å; S965-D968 WeakPolarHBondContact CB-OD2 3.32Å; S965-D968 PolarHBondContact N-OD2 3.03Å; S965-D968 PolarHBondContact O-N 2.91Å
966	C	78.8	Confident	64.4	Low	27 Å²	27	100.5 Å²	100.5	18%	0.182	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.4	170	-52	0	0	0	0	113.1	C937 N942 I943	C937-C966 VanDerWaalsContact CA-SG 3.54Å; C937-C966 HydrophobicContact CB-CB 3.94Å; C937-C966 WeakPolarHBondContact CB-SG 3.3Å; C937-C966 WeakPolarHBondContact SG-CB 3.45Å; C937-C966 CovalentContact SG-SG 2.03Å; C937-C966 PolarHBondContact SG-SG 3.12Å; N942-C966 PolarHBondContact O-N 3.16Å; N942-C966 VanDerWaalsContact O-N 3.14Å; N942-C966 PolarHBondContact O-SG 3Å; N942-C966 VanDerWaalsContact O-SG 3.36Å; N942-C966 WeakPolarHBondContact OD1-CB 3.46Å; I943-C966 PolarHBondContact N-SG 2.9Å; I943-C966 VanDerWaalsContact N-SG 3.41Å
967	L	66.5	Low	62.6	Low	106 Å²	106	106.4 Å²	106.4	56%	0.555	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-11.4	175.4	-63.6	169	0	0	0	113.3	S965 D969 F973	S965-L967 PolarHBondContact O-N 3.33Å; S965-L967 PolarHBondContact OG-N 2.9Å; L967-D969 PolarHBondContact O-N 2.59Å; L967-D969 VanDerWaalsContact O-N 3.1Å; L967-F973 HydrophobicContact CD2-CE2 4.37Å
968	D	59.6	Low	61.6	Low	106 Å²	106	109.2 Å²	109.2	57%	0.567	57%	0.569	S	S	*	*	S	Bend	trans	-84	32.3	-179.4	-50.2	-32.4	0	0	0	112	R964 S965	R964-D968 PolarHBondContact NH1-O 2.8Å; S965-D968 WeakPolarHBondContact CB-OD2 3.32Å; S965-D968 PolarHBondContact N-OD2 3.03Å; S965-D968 PolarHBondContact O-N 2.91Å
969	D	53.9	Low	59.8	Low	54 Å²	54	114.1 Å²	114.1	29%	0.289	58%	0.58	S	S	.	*			trans	-142.6	94.7	-176.4	-153.5	-50.9	0	0	0	112.2	R964 L967 S971 W972	R964-D969 IonicContact CZ-OD2 3.08Å; R964-D969 IonicContact NH1-OD2 2.87Å; R964-D969 PolarHBondContact NH1-OD2 3.05Å; R964-D969 IonicContact NH2-OD2 2.7Å; R964-D969 PolarHBondContact NH2-OD2 3Å; L967-D969 PolarHBondContact O-N 2.59Å; L967-D969 VanDerWaalsContact O-N 3.1Å; D969-S971 PolarHBondContact O-N 3.44Å; D969-S971 VanDerWaalsContact OD1-CB 3.25Å; D969-S971 WeakPolarHBondContact OD1-CB 3.44Å; D969-S971 PolarHBondContact OD1-N 3.13Å; D969-S971 PolarHBondContact OD1-OG 3.47Å; D969-W972 PolarHBondContact O-N 3.39Å
970	D	54.7	Low	58	Low	157 Å²	157	116.1 Å²	116.1	84%	0.84	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-3.7	179.2	-93.7	-30.9	0	0	0	115.2
971	S	49.8	Very low	55.7	Low	80 Å²	80	122.5 Å²	122.5	56%	0.559	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-27.9	178.9	69.9	0	0	0	0	114	D969	D969-S971 PolarHBondContact O-N 3.44Å; D969-S971 VanDerWaalsContact OD1-CB 3.25Å; D969-S971 WeakPolarHBondContact OD1-CB 3.44Å; D969-S971 PolarHBondContact OD1-N 3.13Å; D969-S971 PolarHBondContact OD1-OG 3.47Å
972	W	40.9	Very low	53.5	Low	208 Å²	208	124.9 Å²	124.9	79%	0.788	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-77.9	-38.8	-165.2	-163.5	-95.8	0	0	0	114.6	D969 K974	D969-W972 PolarHBondContact O-N 3.39Å; W972-K974 PolarHBondContact O-N 2.78Å; W972-K974 VanDerWaalsContact O-N 3.13Å
973	F	38.5	Very low	51	Low	169 Å²	169	125.8 Å²	125.8	74%	0.741	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-73.3	-3.9	-171.5	-81.3	-80.1	0	0	0	115.6	L967 K975	L967-F973 HydrophobicContact CD2-CE2 4.37Å; F973-K975 PolarHBondContact O-N 2.7Å; F973-K975 VanDerWaalsContact O-N 3.12Å
974	K	42.1	Very low	48.7	Very low	192 Å²	192	122.1 Å²	122.1	84%	0.835	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-76	12.2	-178.6	-89.5	170.7	177.8	156.1	0	115.5	W972	W972-K974 PolarHBondContact O-N 2.78Å; W972-K974 VanDerWaalsContact O-N 3.13Å
975	K	40.2	Very low	46.3	Very low	195 Å²	195	129.2 Å²	129.2	85%	0.848	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-135.3	27.3	-161.9	-137.4	175.5	-176.5	179.2	0	119.1	F973	F973-K975 PolarHBondContact O-N 2.7Å; F973-K975 VanDerWaalsContact O-N 3.12Å
976	S	37.7	Very low	44.2	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	70%	0.699	S	S	*	*			trans	-156.1	131.6	160.2	57.1	0	0	0	0	113.6
977	N	33.4	Very low	42.2	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	72%	0.719	S	S	*	*			trans	-118.2	129.1	-179.1	-68.9	-46	0	0	0	112.2
978	V	38.2	Very low	40.8	Very low	139 Å²	139	139.4 Å²	139.4	84%	0.842	73%	0.726	S	S	*	*			trans	-153.6	129.8	147.6	-178.7	0	0	0	0	109
979	I	34.5	Very low	39.4	Very low	159 Å²	159	144 Å²	144	82%	0.815	74%	0.735	S	S	*	*			trans	-158.9	116.4	178.3	27	163.9	0	0	0	115.1
980	P	39	Very low	38.4	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	76%	0.76	S	S	*	*			trans	-144.3	162.1	143	36.2	-20.4	0	0	0	114.3
981	K	37.4	Very low	37.2	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	75%	0.751	S	S	*	*			cis	-170	179.7	-18	-109.9	168.6	-173.7	174.9	0	109
982	S	38.9	Very low	36.2	Very low	121 Å²	121	154.5 Å²	154.5	85%	0.846	77%	0.767	S	S	*	*			trans	93.7	131.7	160.2	79.4	0	0	0	0	119.3
983	A	36.7	Very low	35.9	Very low	84 Å²	84	149 Å²	149	69%	0.694	76%	0.757	S	S	*	*			cis	-161.7	133.3	-21.9	0	0	0	0	0	112.8
984	S	38.3	Very low	35.7	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	76%	0.76	S	S	*	*			trans	50	148.3	146.2	57.8	0	0	0	0	121.4
985	Y	33	Very low	35.2	Very low	203 Å²	203	147.1 Å²	147.1	80%	0.796	76%	0.763	S	S	*	*			cis	-172.7	169.4	5.1	-118.6	-157.3	0	0	0	107.9
986	Y	36.6	Very low	35.1	Very low	145 Å²	145	142.1 Å²	142.1	57%	0.569	76%	0.758	S	S	*	*			cis	177.9	130.9	-20.4	166.7	-129.3	0	0	0	111.8
987	K	36.9	Very low	35.4	Very low	140 Å²	140	146 Å²	146	61%	0.609	76%	0.764	S	S	*	*			trans	71.1	156.2	161	-98.8	-177.7	-174.2	160.5	0	118.7
988	S	35.7	Very low	36.3	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	75%	0.754	S	S	*	*			cis	-159.1	168	-5.2	77.8	0	0	0	0	110.2
989	R	32	Very low	37.2	Very low	204 Å²	204	143.8 Å²	143.8	77%	0.77	75%	0.749	S	S	*	*			cis	-164.2	175.4	3	-140	169	-175.1	170.7	-2	109.9
990	I	32	Very low	39.1	Very low	156 Å²	156	140 Å²	140	80%	0.8	73%	0.733	S	S	*	*			trans	81.5	99.3	174.8	-49.3	172.7	0	0	0	113.7
991	N	29.4	Very low	40.7	Very low	123 Å²	123	141 Å²	141	66%	0.658	73%	0.732	S	S	*	*			trans	-126.5	137.3	175	-71.1	33.6	0	0	0	110.7	T993	N991-T993 HydrophobicContact CB-CG2 4.39Å
992	Y	29.8	Very low	42.4	Very low	231 Å²	231	136.2 Å²	136.2	91%	0.906	72%	0.719	S	S	*	*			trans	-131.2	109.7	145.1	-75.4	-84.6	0	0	0	106.1
993	T	34.5	Very low	43.8	Very low	94 Å²	94	134.9 Å²	134.9	58%	0.577	70%	0.699	S	S	*	*			trans	-141.5	107.9	-167.5	47.1	0	0	0	0	108.6	N991	N991-T993 HydrophobicContact CB-CG2 4.39Å
994	T	34	Very low	45.7	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	69%	0.692	S	S	*	*				58.6	98.6	87.8	64.9	0	0	0	0	114.1
995	Q	30.9	Very low	47.9	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	68%	0.678	S	S	*	*			trans	-151	113.5	162.2	-164.3	164.5	-11.2	0	0	105.9
996	A	38.1	Very low	50.1	Low	90 Å²	90	130 Å²	130	74%	0.744	67%	0.665	S	S	*	*			cis	88	65	36.7	0	0	0	0	0	113.6	G998	A996-G998 PolarHBondContact O-N 3.17Å
997	E	44.6	Very low	52.2	Low	193 Å²	193	127.3 Å²	127.3	90%	0.902	66%	0.663	S	S	*	*			trans	-69.7	96.3	154	-74.3	171	-145.2	0	0	108.7
998	G	52	Low	54.4	Low	62 Å²	62	124.9 Å²	124.9	64%	0.639	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-76.8	134.8	171.8	0	0	0	0	0	110.5	A996 T1000	A996-G998 PolarHBondContact O-N 3.17Å; G998-T1000 PolarHBondContact O-N 3.18Å
999	Y	57.2	Low	56.8	Low	188 Å²	188	124 Å²	124	74%	0.737	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-50.8	117.1	170.4	-63.1	-81.2	0	0	0	109.7
1000	T	73.4	Confident	59.1	Low	78 Å²	78	117.4 Å²	117.4	48%	0.479	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-62.6	154.4	-178.4	51.6	0	0	0	0	110.6	G998 T1002 H1003 L1004	G998-T1000 PolarHBondContact O-N 3.18Å; T1000-T1002 WeakPolarHBondContact CB-OG1 3.49Å; T1000-T1002 PolarHBondContact O-N 2.97Å; T1000-T1002 VanDerWaalsContact O-N 3.16Å; T1000-T1002 PolarHBondContact OG1-OG1 3.04Å; T1000-H1003 WeakPolarHBondContact O-CA 3.36Å; T1000-H1003 WeakPolarHBondContact O-CB 3.46Å; T1000-H1003 PolarHBondContact O-N 3.1Å; T1000-H1003 WeakPolarHBondContact OG1-CB 3.42Å; T1000-H1003 PolarHBondContact OG1-N 2.9Å; T1000-L1004 PolarHBondContact O-N 2.89Å; T1000-L1004 VanDerWaalsContact O-N 3.11Å
1001	L	72.8	Confident	61.7	Low	132 Å²	132	111.9 Å²	111.9	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-55.6	-35	175.5	-173	69.2	0	0	0	111.2	L1004 I1005	L1001-L1004 PolarHBondContact O-N 3.2Å; L1001-I1005 HydrophobicContact CD2-CD1 4.44Å; L1001-I1005 HydrophobicContact CG-CD1 3.97Å; L1001-I1005 WeakPolarHBondContact O-CB 3.22Å; L1001-I1005 VanDerWaalsContact O-CG1 3.24Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.26Å; L1001-I1005 PolarHBondContact O-N 2.86Å
1002	T	73.2	Confident	64.4	Low	93 Å²	93	111.5 Å²	111.5	57%	0.571	61%	0.61	S	S	*	*	H	α-helix	trans	-62.9	-36.5	171.5	40.5	0	0	0	0	113.3	T1000 I1005 L1006	T1000-T1002 WeakPolarHBondContact CB-OG1 3.49Å; T1000-T1002 PolarHBondContact O-N 2.97Å; T1000-T1002 VanDerWaalsContact O-N 3.16Å; T1000-T1002 PolarHBondContact OG1-OG1 3.04Å; T1002-I1005 PolarHBondContact O-N 3.31Å; T1002-L1006 VanDerWaalsContact O-CB 3.27Å; T1002-L1006 WeakPolarHBondContact O-CB 3.41Å; T1002-L1006 PolarHBondContact O-N 3Å
1003	H	69.7	Low	67	Low	93 Å²	93	105.9 Å²	105.9	43%	0.431	60%	0.595	S	S	.	*	H	α-helix	trans	-71.2	-34.4	176.3	-153.8	-43.4	0	0	0	112.5	T1000 V1007	T1000-H1003 WeakPolarHBondContact O-CA 3.36Å; T1000-H1003 WeakPolarHBondContact O-CB 3.46Å; T1000-H1003 PolarHBondContact O-N 3.1Å; T1000-H1003 WeakPolarHBondContact OG1-CB 3.42Å; T1000-H1003 PolarHBondContact OG1-N 2.9Å; H1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; H1003-V1007 PolarHBondContact O-N 2.95Å; H1003-V1007 VanDerWaalsContact O-N 3.11Å
1004	L	76.1	Confident	69.3	Low	105 Å²	105	105.2 Å²	105.2	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-45.6	170.3	-78.3	167.9	0	0	0	111.7	T1000 L1001 L1006 V1007 V1008	T1000-L1004 PolarHBondContact O-N 2.89Å; T1000-L1004 VanDerWaalsContact O-N 3.11Å; L1001-L1004 PolarHBondContact O-N 3.2Å; L1004-L1006 VanDerWaalsContact C-N 3.31Å; L1004-L1006 PolarHBondContact O-N 3.41Å; L1004-V1007 PolarHBondContact O-N 3.22Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; L1004-V1008 PolarHBondContact O-N 3.21Å
1005	I	83.2	Confident	71.7	Confident	84 Å²	84	100.7 Å²	100.7	43%	0.431	57%	0.57	S	S	.	*	H	α-helix	trans	-60.2	-41.3	175.1	-71.3	165.7	0	0	0	110.8	L1001 T1002 V1008 I1009	L1001-I1005 HydrophobicContact CD2-CD1 4.44Å; L1001-I1005 HydrophobicContact CG-CD1 3.97Å; L1001-I1005 WeakPolarHBondContact O-CB 3.22Å; L1001-I1005 VanDerWaalsContact O-CG1 3.24Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.26Å; L1001-I1005 PolarHBondContact O-N 2.86Å; T1002-I1005 PolarHBondContact O-N 3.31Å; I1005-V1008 PolarHBondContact O-N 2.61Å; I1005-I1009 HydrophobicContact CG2-CD1 3.63Å; I1005-I1009 HydrophobicContact CG2-CG1 4.31Å; I1005-I1009 WeakPolarHBondContact O-CB 3.46Å; I1005-I1009 VanDerWaalsContact O-CG1 3.31Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.35Å; I1005-I1009 PolarHBondContact O-N 2.9Å
1006	L	79.5	Confident	74.1	Confident	99 Å²	99	94.8 Å²	94.8	52%	0.518	55%	0.55	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.1	-167	76.1	0	0	0	111.8	T1002 L1004 I1009 C1010	T1002-L1006 VanDerWaalsContact O-CB 3.27Å; T1002-L1006 WeakPolarHBondContact O-CB 3.41Å; T1002-L1006 PolarHBondContact O-N 3Å; L1004-L1006 VanDerWaalsContact C-N 3.31Å; L1004-L1006 PolarHBondContact O-N 3.41Å; L1006-I1009 PolarHBondContact O-N 2.99Å; L1006-C1010 VanDerWaalsContact O-CB 3.31Å; L1006-C1010 WeakPolarHBondContact O-CB 3.37Å; L1006-C1010 PolarHBondContact O-N 3.21Å; L1006-C1010 PolarHBondContact O-SG 2.94Å; L1006-C1010 VanDerWaalsContact O-SG 3.33Å
1007	V	80.4	Confident	76.2	Confident	89 Å²	89	95.7 Å²	95.7	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.4	168.5	0	0	0	0	111.3	H1003 L1004 G1011	H1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; H1003-V1007 PolarHBondContact O-N 2.95Å; H1003-V1007 VanDerWaalsContact O-N 3.11Å; L1004-V1007 PolarHBondContact O-N 3.22Å; V1007-G1011 PolarHBondContact O-N 3.29Å
1008	V	83.7	Confident	78.1	Confident	90 Å²	90	91.2 Å²	91.2	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-44.8	175.2	172.3	0	0	0	0	111.6	L1004 I1005 G1011 L1012	L1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; L1004-V1008 PolarHBondContact O-N 3.21Å; I1005-V1008 PolarHBondContact O-N 2.61Å; V1008-G1011 PolarHBondContact O-N 3.18Å; V1008-L1012 HydrophobicContact CG1-CD1 4.03Å; V1008-L1012 WeakPolarHBondContact O-CG 3.42Å; V1008-L1012 PolarHBondContact O-N 3.03Å
1009	I	86.4	Confident	79.5	Confident	80 Å²	80	92.4 Å²	92.4	41%	0.41	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-44.3	178	-70.2	171.2	0	0	0	111	I1005 L1006 G1011 L1012 L1013	I1005-I1009 HydrophobicContact CG2-CD1 3.63Å; I1005-I1009 HydrophobicContact CG2-CG1 4.31Å; I1005-I1009 WeakPolarHBondContact O-CB 3.46Å; I1005-I1009 VanDerWaalsContact O-CG1 3.31Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.35Å; I1005-I1009 PolarHBondContact O-N 2.9Å; L1006-I1009 PolarHBondContact O-N 2.99Å; I1009-G1011 VanDerWaalsContact C-N 3.33Å; I1009-G1011 PolarHBondContact O-N 3.03Å; I1009-L1012 PolarHBondContact O-N 2.81Å; I1009-L1013 HydrophobicContact CG2-CD1 3.79Å; I1009-L1013 HydrophobicContact CG2-CG 4.33Å; I1009-L1013 WeakPolarHBondContact O-CB 3.32Å; I1009-L1013 VanDerWaalsContact O-CG 3.3Å; I1009-L1013 WeakPolarHBondContact O-CG 3.24Å; I1009-L1013 PolarHBondContact O-N 2.8Å
1010	C	80.8	Confident	80.7	Confident	64 Å²	64	87.4 Å²	87.4	43%	0.432	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-38.5	174.9	-74.2	0	0	0	0	112.1	L1006 L1013 T1014	L1006-C1010 VanDerWaalsContact O-CB 3.31Å; L1006-C1010 WeakPolarHBondContact O-CB 3.37Å; L1006-C1010 PolarHBondContact O-N 3.21Å; L1006-C1010 PolarHBondContact O-SG 2.94Å; L1006-C1010 VanDerWaalsContact O-SG 3.33Å; C1010-L1013 PolarHBondContact O-N 3.45Å; C1010-T1014 WeakPolarHBondContact O-CB 3.14Å; C1010-T1014 WeakPolarHBondContact O-CG2 3.16Å; C1010-T1014 PolarHBondContact O-N 3.45Å; C1010-T1014 PolarHBondContact O-OG1 2.99Å
1011	G	85.3	Confident	81	Confident	40 Å²	40	88.4 Å²	88.4	41%	0.412	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.7	0	0	0	0	0	112.6	V1007 V1008 I1009 T1014 G1015	V1007-G1011 PolarHBondContact O-N 3.29Å; V1008-G1011 PolarHBondContact O-N 3.18Å; I1009-G1011 VanDerWaalsContact C-N 3.33Å; I1009-G1011 PolarHBondContact O-N 3.03Å; G1011-T1014 PolarHBondContact O-OG1 2.95Å; G1011-G1015 PolarHBondContact O-N 2.79Å
1012	L	86.6	Confident	81.2	Confident	115 Å²	115	85.9 Å²	85.9	60%	0.602	50%	0.495	S	S	*	.	H	α-helix	trans	-64.3	-40.4	176.6	-71.4	170	0	0	0	112.4	V1008 I1009 S1016	V1008-L1012 HydrophobicContact CG1-CD1 4.03Å; V1008-L1012 WeakPolarHBondContact O-CG 3.42Å; V1008-L1012 PolarHBondContact O-N 3.03Å; I1009-L1012 PolarHBondContact O-N 2.81Å; L1012-S1016 VanDerWaalsContact O-CB 3.28Å; L1012-S1016 WeakPolarHBondContact O-CB 3.36Å; L1012-S1016 PolarHBondContact O-N 2.86Å; L1012-S1016 PolarHBondContact O-OG 3.38Å
1013	L	84.6	Confident	81.4	Confident	113 Å²	113	86.9 Å²	86.9	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-69.9	-41.4	178.4	-72.3	173.4	0	0	0	112.6	I1009 C1010 S1016 L1017	I1009-L1013 HydrophobicContact CG2-CD1 3.79Å; I1009-L1013 HydrophobicContact CG2-CG 4.33Å; I1009-L1013 WeakPolarHBondContact O-CB 3.32Å; I1009-L1013 VanDerWaalsContact O-CG 3.3Å; I1009-L1013 WeakPolarHBondContact O-CG 3.24Å; I1009-L1013 PolarHBondContact O-N 2.8Å; C1010-L1013 PolarHBondContact O-N 3.45Å; L1013-S1016 PolarHBondContact O-N 3.39Å; L1013-L1017 WeakPolarHBondContact O-CB 3.29Å; L1013-L1017 PolarHBondContact O-N 2.78Å
1014	T	81.9	Confident	81.6	Confident	81 Å²	81	90.8 Å²	90.8	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-41	176.2	49.2	0	0	0	0	112.2	C1010 G1011 S1016 L1017 I1018	C1010-T1014 WeakPolarHBondContact O-CB 3.14Å; C1010-T1014 WeakPolarHBondContact O-CG2 3.16Å; C1010-T1014 PolarHBondContact O-N 3.45Å; C1010-T1014 PolarHBondContact O-OG1 2.99Å; G1011-T1014 PolarHBondContact O-OG1 2.95Å; T1014-S1016 PolarHBondContact O-N 3.31Å; T1014-L1017 PolarHBondContact O-N 2.96Å; T1014-I1018 WeakPolarHBondContact O-CB 3.29Å; T1014-I1018 VanDerWaalsContact O-CG1 3.29Å; T1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; T1014-I1018 PolarHBondContact O-N 2.98Å
1015	G	84.2	Confident	81.3	Confident	35 Å²	35	88.9 Å²	88.9	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-40.8	171.4	0	0	0	0	0	113	G1011 T1019	G1011-G1015 PolarHBondContact O-N 2.79Å; G1015-T1019 WeakPolarHBondContact O-CG2 3.36Å; G1015-T1019 PolarHBondContact O-N 3.06Å; G1015-T1019 PolarHBondContact O-OG1 3.2Å
1016	S	83.1	Confident	80.5	Confident	66 Å²	66	89.2 Å²	89.2	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-39.3	174.2	-59	0	0	0	0	112.1	L1012 L1013 T1014 T1019 V1020	L1012-S1016 VanDerWaalsContact O-CB 3.28Å; L1012-S1016 WeakPolarHBondContact O-CB 3.36Å; L1012-S1016 PolarHBondContact O-N 2.86Å; L1012-S1016 PolarHBondContact O-OG 3.38Å; L1013-S1016 PolarHBondContact O-N 3.39Å; T1014-S1016 PolarHBondContact O-N 3.31Å; S1016-T1019 WeakPolarHBondContact CA-OG1 3.5Å; S1016-T1019 PolarHBondContact O-OG1 3.39Å; S1016-T1019 VanDerWaalsContact O-OG1 3.06Å; S1016-V1020 WeakPolarHBondContact O-CB 3.34Å; S1016-V1020 VanDerWaalsContact O-CG2 3.29Å; S1016-V1020 WeakPolarHBondContact O-CG2 3.34Å; S1016-V1020 PolarHBondContact O-N 3.23Å
1017	L	82	Confident	79.8	Confident	110 Å²	110	93 Å²	93	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-69	-42.7	177.8	-158.9	81.3	0	0	0	111.8	L1013 T1014 V1020 I1021	L1013-L1017 WeakPolarHBondContact O-CB 3.29Å; L1013-L1017 PolarHBondContact O-N 2.78Å; T1014-L1017 PolarHBondContact O-N 2.96Å; L1017-V1020 PolarHBondContact O-N 3.13Å; L1017-I1021 HydrophobicContact CD2-CD1 4.24Å; L1017-I1021 HydrophobicContact CG-CD1 4.08Å; L1017-I1021 WeakPolarHBondContact O-CB 3.37Å; L1017-I1021 VanDerWaalsContact O-CG1 3.27Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.41Å; L1017-I1021 PolarHBondContact O-N 3.38Å
1018	I	83	Confident	78.5	Confident	98 Å²	98	93.4 Å²	93.4	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-44.9	177.8	-70.4	165.6	0	0	0	110.6	T1014 V1020 I1021 L1022	T1014-I1018 WeakPolarHBondContact O-CB 3.29Å; T1014-I1018 VanDerWaalsContact O-CG1 3.29Å; T1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; T1014-I1018 PolarHBondContact O-N 2.98Å; I1018-V1020 PolarHBondContact O-N 3.11Å; I1018-I1021 PolarHBondContact O-N 3.21Å; I1018-L1022 HydrophobicContact CG2-CD1 3.91Å; I1018-L1022 HydrophobicContact CG2-CG 4.4Å; I1018-L1022 WeakPolarHBondContact O-CB 3.23Å; I1018-L1022 WeakPolarHBondContact O-CG 3.33Å; I1018-L1022 PolarHBondContact O-N 2.87Å
1019	T	81.8	Confident	76.5	Confident	88 Å²	88	97.3 Å²	97.3	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-36.5	176.8	47.1	0	0	0	0	112.7	G1015 S1016 F1023	G1015-T1019 WeakPolarHBondContact O-CG2 3.36Å; G1015-T1019 PolarHBondContact O-N 3.06Å; G1015-T1019 PolarHBondContact O-OG1 3.2Å; S1016-T1019 WeakPolarHBondContact CA-OG1 3.5Å; S1016-T1019 PolarHBondContact O-OG1 3.39Å; S1016-T1019 VanDerWaalsContact O-OG1 3.06Å; T1019-F1023 VanDerWaalsContact O-CB 3.24Å; T1019-F1023 WeakPolarHBondContact O-CB 3.23Å; T1019-F1023 PolarHBondContact O-N 3.35Å
1020	V	83.6	Confident	74	Confident	82 Å²	82	104 Å²	104	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-66.2	-40.3	171.9	169.1	0	0	0	0	112.1	S1016 L1017 I1018 F1023 W1024	S1016-V1020 WeakPolarHBondContact O-CB 3.34Å; S1016-V1020 VanDerWaalsContact O-CG2 3.29Å; S1016-V1020 WeakPolarHBondContact O-CG2 3.34Å; S1016-V1020 PolarHBondContact O-N 3.23Å; L1017-V1020 PolarHBondContact O-N 3.13Å; I1018-V1020 PolarHBondContact O-N 3.11Å; V1020-F1023 PolarHBondContact O-N 2.84Å; V1020-W1024 PolarHBondContact O-N 3.46Å
1021	I	78.9	Confident	71.6	Confident	99 Å²	99	112.8 Å²	112.8	51%	0.508	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-44.4	177.1	-71.4	165.4	0	0	0	110.9	L1017 I1018 W1024 S1025	L1017-I1021 HydrophobicContact CD2-CD1 4.24Å; L1017-I1021 HydrophobicContact CG-CD1 4.08Å; L1017-I1021 WeakPolarHBondContact O-CB 3.37Å; L1017-I1021 VanDerWaalsContact O-CG1 3.27Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.41Å; L1017-I1021 PolarHBondContact O-N 3.38Å; I1018-I1021 PolarHBondContact O-N 3.21Å; I1021-W1024 PolarHBondContact O-N 3.41Å; I1021-S1025 PolarHBondContact O-N 3.15Å; I1021-S1025 PolarHBondContact O-OG 3.24Å
1022	L	76.8	Confident	69.1	Low	79 Å²	79	115.8 Å²	115.8	41%	0.414	59%	0.591	S	S	.	*	H	α-helix	trans	-63.5	-39.4	174.6	-70.9	171.6	0	0	0	111.8	I1018 S1025 C1026	I1018-L1022 HydrophobicContact CG2-CD1 3.91Å; I1018-L1022 HydrophobicContact CG2-CG 4.4Å; I1018-L1022 WeakPolarHBondContact O-CB 3.23Å; I1018-L1022 WeakPolarHBondContact O-CG 3.33Å; I1018-L1022 PolarHBondContact O-N 2.87Å; L1022-S1025 WeakPolarHBondContact CA-OG 3.35Å; L1022-S1025 PolarHBondContact O-OG 3.43Å; L1022-C1026 VanDerWaalsContact O-CB 3.26Å; L1022-C1026 WeakPolarHBondContact O-CB 3.33Å; L1022-C1026 PolarHBondContact O-N 3.01Å; L1022-C1026 PolarHBondContact O-SG 3.15Å
1023	F	78.7	Confident	66.4	Low	114 Å²	114	119.8 Å²	119.8	50%	0.5	60%	0.599	S	S	.	*	H	α-helix	trans	-65.2	-39	175.4	-172.7	-100.1	0	0	0	112.3	T1019 V1020 R1027	T1019-F1023 VanDerWaalsContact O-CB 3.24Å; T1019-F1023 WeakPolarHBondContact O-CB 3.23Å; T1019-F1023 PolarHBondContact O-N 3.35Å; V1020-F1023 PolarHBondContact O-N 2.84Å; F1023-R1027 HydrophobicContact CE1-CG 4.43Å; F1023-R1027 WeakPolarHBondContact O-CB 3.29Å; F1023-R1027 WeakPolarHBondContact O-CG 3.33Å; F1023-R1027 PolarHBondContact O-N 2.86Å
1024	W	73.5	Confident	63.9	Low	176 Å²	176	121.8 Å²	121.8	67%	0.667	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-47.3	174.2	-94.3	68.3	0	0	0	112.5	V1020 I1021 C1026 R1027 C1028	V1020-W1024 PolarHBondContact O-N 3.46Å; I1021-W1024 PolarHBondContact O-N 3.41Å; W1024-C1026 VanDerWaalsContact C-N 3.33Å; W1024-C1026 PolarHBondContact O-N 3.31Å; W1024-R1027 PolarHBondContact O-N 3.28Å; W1024-R1027 VanDerWaalsContact O-N 3.16Å; W1024-C1028 WeakPolarHBondContact O-CB 3.34Å; W1024-C1028 PolarHBondContact O-N 2.8Å; W1024-C1028 PolarHBondContact O-SG 3.07Å; W1024-C1028 VanDerWaalsContact O-SG 3.33Å
1025	S	68.8	Low	61.5	Low	65 Å²	65	125.5 Å²	125.5	46%	0.455	62%	0.622	S	S	.	*	H	α-helix	trans	-64.6	-36.9	178.8	60.9	0	0	0	0	112.2	I1021 L1022	I1021-S1025 PolarHBondContact O-N 3.15Å; I1021-S1025 PolarHBondContact O-OG 3.24Å; L1022-S1025 WeakPolarHBondContact CA-OG 3.35Å; L1022-S1025 PolarHBondContact O-OG 3.43Å
1026	C	68.1	Low	58.9	Low	90 Å²	90	130.2 Å²	130.2	61%	0.608	64%	0.639	S	S	*	*	H	α-helix	trans	-69.3	-32.9	172.7	-66.1	0	0	0	0	113.2	L1022 W1024	L1022-C1026 VanDerWaalsContact O-CB 3.26Å; L1022-C1026 WeakPolarHBondContact O-CB 3.33Å; L1022-C1026 PolarHBondContact O-N 3.01Å; L1022-C1026 PolarHBondContact O-SG 3.15Å; W1024-C1026 VanDerWaalsContact C-N 3.33Å; W1024-C1026 PolarHBondContact O-N 3.31Å
1027	R	62.8	Low	56.5	Low	179 Å²	179	135.2 Å²	135.2	68%	0.675	66%	0.661	S	S	*	*	H	α-helix	trans	-77.8	-32.2	176	-82.6	-156.2	158.5	168.3	-1.2	114.2	F1023 W1024 H1029	F1023-R1027 HydrophobicContact CE1-CG 4.43Å; F1023-R1027 WeakPolarHBondContact O-CB 3.29Å; F1023-R1027 WeakPolarHBondContact O-CG 3.33Å; F1023-R1027 PolarHBondContact O-N 2.86Å; W1024-R1027 PolarHBondContact O-N 3.28Å; W1024-R1027 VanDerWaalsContact O-N 3.16Å; R1027-H1029 PolarHBondContact O-N 3.3Å
1028	C	53.2	Low	54	Low	98 Å²	98	136.3 Å²	136.3	66%	0.662	67%	0.666	S	S	*	*	H	α-helix	trans	-72.1	-13.9	177.9	-70	0	0	0	0	113.7	W1024 R1030	W1024-C1028 WeakPolarHBondContact O-CB 3.34Å; W1024-C1028 PolarHBondContact O-N 2.8Å; W1024-C1028 PolarHBondContact O-SG 3.07Å; W1024-C1028 VanDerWaalsContact O-SG 3.33Å; C1028-R1030 PolarHBondContact O-N 2.91Å
1029	H	42.5	Very low	51.4	Low	172 Å²	172	135.7 Å²	135.7	80%	0.796	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	23.1	-177.3	-148.2	-66.4	0	0	0	114.2	R1027	R1027-H1029 PolarHBondContact O-N 3.3Å
1030	R	33.5	Very low	48.8	Very low	221 Å²	221	141.2 Å²	141.2	83%	0.834	69%	0.692	S	S	*	*			trans	-137.5	55.4	-175.7	-160.9	178.9	169.7	162.8	-1.8	115.2	C1028	C1028-R1030 PolarHBondContact O-N 2.91Å
1031	W	31.9	Very low	46.2	Very low	248 Å²	248	144.5 Å²	144.5	94%	0.939	71%	0.706	S	S	*	*			trans	-123	117.8	147.4	-89.3	-1.5	0	0	0	106.1
1032	S	32.5	Very low	43.7	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	71%	0.713	S	S	*	*				66.7	93.8	76.1	-155.1	0	0	0	0	110.7
1033	Y	29.9	Very low	41.4	Very low	198 Å²	198	146.9 Å²	146.9	78%	0.776	72%	0.724	S	S	*	*				65.4	97.5	81.9	-101.1	-77.7	0	0	0	114.2
1034	D	30.8	Very low	38.9	Very low	156 Å²	156	149.6 Å²	149.6	83%	0.834	74%	0.736	S	S	*	*			trans	-170.5	120.1	134.1	-82.5	-26	0	0	0	101.9
1035	E	32	Very low	36.9	Very low	159 Å²	159	148.3 Å²	148.3	74%	0.743	74%	0.742	S	S	*	*				62.8	136.6	50	-110.4	176.9	-165.5	0	0	115.2
1036	D	30	Very low	34.9	Very low	134 Å²	134	153.4 Å²	153.4	72%	0.717	76%	0.758	S	S	*	*			trans	44.8	106	178.3	-67.4	-15.1	0	0	0	120.9
1037	D	33.2	Very low	33.2	Very low	170 Å²	170	155.2 Å²	155.2	91%	0.909	76%	0.76	S	S	*	*				-142.4	114.8	110.1	-148.1	-17.1	0	0	0	111
1038	I	29	Very low	31.5	Very low	133 Å²	133	155.4 Å²	155.4	68%	0.682	77%	0.766	S	S	*	*			trans	-126.9	131.3	-172.1	-76.4	179.9	0	0	0	111.4
1039	A	27.6	Very low	30.3	Very low	86 Å²	86	154.9 Å²	154.9	71%	0.711	76%	0.76	S	S	*	*			trans	61.1	98.1	158.8	0	0	0	0	0	119.1
1040	K	28.1	Very low	29.7	Very low	203 Å²	203	154 Å²	154	88%	0.883	76%	0.76	S	S	*	*			trans	-157	150.3	136.7	-93.7	138.2	-171.4	174.2	0	107
1041	L	28.9	Very low	29.5	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	76%	0.755	S	S	*	*			cis	-141.9	172.1	-2.2	-165.1	64.8	0	0	0	110
1042	T	26.9	Very low	29.4	Very low	107 Å²	107	142.1 Å²	142.1	66%	0.656	74%	0.744	S	S	*	*			trans	-53.2	173.7	178	62	0	0	0	0	117.9
1043	N	27.4	Very low	29.4	Very low	122 Å²	122	143.9 Å²	143.9	65%	0.652	74%	0.74	S	S	*	*			trans	103.5	124.9	145.8	-91.1	-38.6	0	0	0	119.6
1044	K	27.3	Very low	29.4	Very low	170 Å²	170	138.2 Å²	138.2	74%	0.739	73%	0.729	S	S	*	*			trans	41.9	104.4	136.5	-60.8	167.2	-174.1	177.4	0	118.2
1045	N	31.3	Very low	29.3	Very low	149 Å²	149	140 Å²	140	80%	0.797	73%	0.729	S	S	*	*				-166.7	143.1	90.3	-80.9	-36.7	0	0	0	108.3
1046	H	27.2	Very low	29.2	Very low	173 Å²	173	138 Å²	138	80%	0.801	73%	0.732	S	S	*	*				70.7	136.9	53.5	-106.8	-78.7	0	0	0	115
1047	I	30.8	Very low	29.1	Very low	127 Å²	127	142.8 Å²	142.8	65%	0.651	74%	0.74	S	S	*	*			trans	91	104.8	175.1	-56.8	165.3	0	0	0	113.3
1048	K	27.5	Very low	29	Very low	184 Å²	184	142.5 Å²	142.5	80%	0.8	74%	0.738	S	S	*	*				82.5	143	78.8	-129.1	173.1	-174.3	-179.6	0	110.6
1049	T	28.1	Very low	29	Very low	86 Å²	86	142.1 Å²	142.1	53%	0.528	74%	0.744	S	S	.	*			cis	-165	122.9	40.8	-50.9	0	0	0	0	113.9
1050	I	29.9	Very low	28.9	Very low	154 Å²	154	147.3 Å²	147.3	79%	0.79	75%	0.747	S	S	*	*			trans	65.6	150.2	143.2	-68.8	174.7	0	0	0	118.5
1051	S	29.1	Very low	29	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	74%	0.736	S	S	*	*			cis	-118.8	160.5	11.6	63.3	0	0	0	0	115.6
1052	T	30.2	Very low	29	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	74%	0.737	S	S	*	*			trans	-156.5	132.2	179.8	54.5	0	0	0	0	111.4
1053	H	33.2	Very low	29.1	Very low	139 Å²	139	146.9 Å²	146.9	64%	0.644	75%	0.749	S	S	*	*			trans	-134.7	124	149.3	-76.4	-105.7	0	0	0	107.5	N303	N303-H1053 HydrophobicContact CB-CB 3.73Å; N303-H1053 WeakPolarHBondContact OD1-CB 3.27Å; N303-H1053 PolarHBondContact OD1-O 2.77Å
1054	C	29.4	Very low	29.1	Very low	80 Å²	80	149.2 Å²	149.2	54%	0.541	76%	0.756	S	S	.	*				67.4	133.1	56.7	-67	0	0	0	0	112.8
1055	K	28.3	Very low	29.1	Very low	194 Å²	194	147.4 Å²	147.4	84%	0.843	76%	0.76	S	S	*	*			cis	-159.3	167.5	-0.2	-110	168.2	-175.7	178.1	0	106.1
1056	S	30.5	Very low	28.9	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	75%	0.754	S	S	*	*			cis	-163.7	174	43.1	57.9	0	0	0	0	112.3
1057	R	28.3	Very low	29	Very low	235 Å²	235	143.7 Å²	143.7	89%	0.887	75%	0.751	S	S	*	*			trans	-151.2	140.1	173.2	-178.8	-163.5	-108.7	-160.7	-2.5	108.1
1058	L	30.3	Very low	28.8	Very low	164 Å²	164	143 Å²	143	86%	0.859	75%	0.753	S	S	*	*			trans	-131.6	158.7	169.9	-78	174.5	0	0	0	110.6
1059	P	28.6	Very low	28.8	Very low	125 Å²	125	139.9 Å²	139.9	81%	0.812	75%	0.75	S	S	*	*			trans	-123.9	-148.6	-135.2	42.8	-29.1	0	0	0	115.5
1060	Y	26.6	Very low	28.7	Very low	196 Å²	196	141.7 Å²	141.7	77%	0.769	76%	0.761	S	S	*	*			trans	-122.2	164.7	-154.2	166.3	-111.9	0	0	0	112.3
1061	E	28.5	Very low	28.8	Very low	140 Å²	140	140.4 Å²	140.4	65%	0.654	77%	0.766	S	S	*	*			trans	89.2	102.6	156.9	-138.2	159.9	-163.9	0	0	121.3
1062	S	29.9	Very low	28.8	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	77%	0.773	S	S	*	*			trans	177.8	142.5	145.4	25.5	0	0	0	0	107.1
1063	Q	29.9	Very low	28.8	Very low	196 Å²	196	144.5 Å²	144.5	92%	0.916	78%	0.775	S	S	*	*			cis	-136.5	164.9	-4.8	-100.7	165.2	-7.9	0	0	109.1
1064	Q	26.8	Very low	28.6	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	79%	0.788	S	S	*	*			trans	-115.5	174.4	173.2	-156.6	174.9	23.5	0	0	110
1065	T	28	Very low	28.6	Very low	133 Å²	133	146.6 Å²	146.6	82%	0.816	79%	0.792	S	S	*	*			trans	96.9	140.4	-170.9	69	0	0	0	0	114
1066	C	26.3	Very low	28.5	Very low	100 Å²	100	146.2 Å²	146.2	68%	0.676	79%	0.79	S	S	*	*			cis	-153.2	156	-1.2	-123.1	0	0	0	0	112.8
1067	L	28.9	Very low	28.4	Very low	143 Å²	143	150 Å²	150	75%	0.749	80%	0.795	S	S	*	*			trans	53.8	116	149.3	-58.2	167.1	0	0	0	118.6
1068	T	25.8	Very low	28.2	Very low	113 Å²	113	142.5 Å²	142.5	69%	0.693	78%	0.778	S	S	*	*				50.2	131.7	79.7	71.5	0	0	0	0	113.9
1069	T	27.7	Very low	27.9	Very low	119 Å²	119	145.6 Å²	145.6	73%	0.73	78%	0.779	S	S	*	*			cis	-157.3	155.1	42	47.9	0	0	0	0	114.9
1070	T	27.3	Very low	27.7	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	77%	0.771	S	S	*	*			trans	33.9	127.5	144	61.9	0	0	0	0	122.6
1071	S	31.4	Very low	27.5	Very low	127 Å²	127	143.2 Å²	143.2	89%	0.888	78%	0.779	S	S	*	*				-179.7	163.5	103.4	41.4	0	0	0	0	112.6
1072	E	28.3	Very low	27.5	Very low	191 Å²	191	144.1 Å²	144.1	89%	0.893	79%	0.787	S	S	*	*			trans	-100.4	168.4	-166.9	-90.5	-165	125.4	0	0	115.5
1073	P	31.2	Very low	27.3	Very low	114 Å²	114	146.1 Å²	146.1	74%	0.74	79%	0.789	S	S	*	*			trans	-107.8	156	-159.3	39.9	-34.9	0	0	0	116.9
1074	L	28.7	Very low	27.2	Very low	173 Å²	173	143.9 Å²	143.9	91%	0.906	78%	0.778	S	S	*	*			trans	-145.8	152.6	161.9	-76.7	162.5	0	0	0	108.4
1075	S	28.6	Very low	27.3	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	77%	0.774	S	S	*	*			cis	-165.9	155	-31.3	69.6	0	0	0	0	108.3
1076	K	26	Very low	27.2	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	77%	0.77	S	S	*	*			trans	37.7	121.9	159.6	-63.1	171.6	-179.9	170.2	0	118.8
1077	H	30	Very low	27.3	Very low	193 Å²	193	144.2 Å²	144.2	89%	0.894	77%	0.766	S	S	*	*				-161.5	170.2	109.3	-103.9	-71.5	0	0	0	110.1
1078	S	22.9	Very low	27	Very low	78 Å²	78	144.3 Å²	144.3	55%	0.545	77%	0.765	S	S	.	*			trans	-126.2	165	-168.1	56.8	0	0	0	0	112.6
1079	W	24.4	Very low	27.1	Very low	229 Å²	229	147.7 Å²	147.7	87%	0.867	77%	0.766	S	S	*	*			trans	126.6	128.9	149.3	-64.2	117.7	0	0	0	116.6
1080	S	24.4	Very low	27	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	77%	0.766	S	S	*	*			trans	50	116.7	144.9	58.4	0	0	0	0	122.1
1081	L	22.8	Very low	26.8	Very low	177 Å²	177	149.1 Å²	149.1	93%	0.927	77%	0.772	S	S	*	*				37.1	88.5	119.4	-90.7	152.7	0	0	0	117.3
1082	I	28.8	Very low	26.7	Very low	159 Å²	159	152 Å²	152	82%	0.815	77%	0.768	S	S	*	*			trans	-136.4	136.2	150.9	-59.9	-177	0	0	0	107.2
1083	D	24.9	Very low	26.6	Very low	158 Å²	158	146.9 Å²	146.9	85%	0.845	75%	0.753	S	S	*	*			trans	-68.7	127.7	170	-71.3	-71.5	0	0	0	110.7
1084	E	28.8	Very low	26.5	Very low	149 Å²	149	147.7 Å²	147.7	70%	0.696	75%	0.751	S	S	*	*			trans	-151.9	128.6	153.4	-113.6	-166	-176.2	0	0	115.4
1085	K	28	Very low	26.6	Very low	164 Å²	164	147.2 Å²	147.2	71%	0.713	75%	0.748	S	S	*	*			trans	64.9	157.2	149	-69.7	159.1	-168.9	156.9	0	119.9
1086	E	25.9	Very low	26.6	Very low	157 Å²	157	149.5 Å²	149.5	73%	0.734	75%	0.752	S	S	*	*			trans	-94.5	139.5	-167.5	-56.4	178.1	120.4	0	0	111.3	I1088	E1086-I1088 PolarHBondContact O-N 2.89Å; E1086-I1088 VanDerWaalsContact O-N 3.12Å
1087	P	27.7	Very low	26.8	Very low	90 Å²	90	145.1 Å²	145.1	58%	0.584	75%	0.75	S	S	*	*			trans	-74.1	102.1	165.9	30.5	-30.9	0	0	0	108.9	W1089	P1087-W1089 PolarHBondContact O-N 2.84Å
1088	I	23.7	Very low	26.7	Very low	145 Å²	145	144.4 Å²	144.4	74%	0.744	75%	0.747	S	S	*	*			trans	-61.5	123	171.5	-62.4	168.6	0	0	0	108.5	E1086 C1090	E1086-I1088 PolarHBondContact O-N 2.89Å; E1086-I1088 VanDerWaalsContact O-N 3.12Å; I1088-C1090 PolarHBondContact O-N 2.99Å
1089	W	26.9	Very low	27.1	Very low	184 Å²	184	145.5 Å²	145.5	70%	0.697	76%	0.761	S	S	*	*			trans	-80.4	101.3	171.9	-76.5	53.2	0	0	0	108.5	P1087 N1091	P1087-W1089 PolarHBondContact O-N 2.84Å; W1089-N1091 PolarHBondContact O-N 2.86Å
1090	C	25.6	Very low	27.4	Very low	110 Å²	110	139.5 Å²	139.5	74%	0.743	75%	0.754	S	S	*	*			trans	-67.8	116.6	175.7	-62.1	0	0	0	0	110.6	I1088 K1092	I1088-C1090 PolarHBondContact O-N 2.99Å; C1090-K1092 PolarHBondContact O-N 2.82Å
1091	N	24.2	Very low	27.6	Very low	163 Å²	163	141.5 Å²	141.5	87%	0.872	76%	0.763	S	S	*	*			trans	-53.4	137.9	153.2	-90.6	-11	0	0	0	108.7	W1089	W1089-N1091 PolarHBondContact O-N 2.86Å
1092	K	28.6	Very low	27.9	Very low	188 Å²	188	140.3 Å²	140.3	82%	0.817	76%	0.757	S	S	*	*			trans	-139.5	64.8	174.4	-152.4	178.8	-171.7	-175	0	111.8	C1090	C1090-K1092 PolarHBondContact O-N 2.82Å
1093	S	27.5	Very low	28	Very low	82 Å²	82	137.3 Å²	137.3	57%	0.573	75%	0.746	S	S	*	*			trans	-76	166.3	151.7	62.9	0	0	0	0	109.8
1094	D	28	Very low	28.1	Very low	131 Å²	131	138.4 Å²	138.4	70%	0.701	74%	0.738	S	S	*	*			trans	60	88.5	155.5	-41.2	-44.4	0	0	0	119.1
1095	I	31	Very low	28.1	Very low	163 Å²	163	141.7 Å²	141.7	84%	0.836	75%	0.746	S	S	*	*			trans	-133.6	136.1	137.7	-62.1	-174.5	0	0	0	107.9
1096	I	27.8	Very low	28.1	Very low	139 Å²	139	140.9 Å²	140.9	71%	0.713	75%	0.745	S	S	*	*			trans	-121.8	136.7	-171.3	-64.3	167.1	0	0	0	110.8	Q1098	I1096-Q1098 HydrophobicContact CG2-CG 4.21Å
1097	A	31.1	Very low	28.3	Very low	94 Å²	94	143.8 Å²	143.8	78%	0.777	75%	0.751	S	S	*	*			trans	-162.7	111.4	151.7	0	0	0	0	0	107.2
1098	Q	27	Very low	28.4	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	76%	0.757	S	S	*	*				98.2	144.4	52	-84	-170.1	-23.9	0	0	113.3	I1096	I1096-Q1098 HydrophobicContact CG2-CG 4.21Å
1099	A	31.7	Very low	28.8	Very low	101 Å²	101	145.2 Å²	145.2	84%	0.835	76%	0.761	S	S	*	*			trans	69.5	136.4	-170.9	0	0	0	0	0	116.2
1100	S	30.6	Very low	29.2	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	76%	0.757	S	S	*	*			cis	-160.9	130.4	-13.6	50.4	0	0	0	0	112.8
1101	T	28.2	Very low	29.5	Very low	137 Å²	137	141.1 Å²	141.1	84%	0.84	76%	0.755	S	S	*	*			trans	30.5	119.7	148	56.3	0	0	0	0	121.8
1102	D	30.4	Very low	29.9	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	75%	0.752	S	S	*	*				-151	169.4	105.2	-149.5	-29.9	0	0	0	110.4
1103	T	30.5	Very low	29.8	Very low	95 Å²	95	140 Å²	140	58%	0.583	75%	0.75	S	S	*	*			trans	-77.3	170.3	-171.7	62	0	0	0	0	113.8
1104	R	26.5	Very low	30	Very low	181 Å²	181	142.9 Å²	142.9	68%	0.683	76%	0.764	S	S	*	*			cis	-152.8	148.8	5.9	-135.5	159.6	-65.1	-168.9	-2.2	106.4
1105	Y	29.3	Very low	30	Very low	218 Å²	218	142.5 Å²	142.5	86%	0.855	77%	0.769	S	S	*	*				-169.7	151.6	78.2	-93.3	-85.5	0	0	0	110.6
1106	E	27	Very low	30	Very low	148 Å²	148	139.7 Å²	139.7	69%	0.692	77%	0.77	S	S	*	*			trans	-78.1	164.6	174.5	-72.1	136.9	124.7	0	0	112.1
1107	Y	31.6	Very low	30	Very low	218 Å²	218	140.8 Å²	140.8	86%	0.855	78%	0.777	S	S	*	*			cis	-144.7	159.9	43.4	-89	-98	0	0	0	116.2
1108	L	29	Very low	30	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	78%	0.784	S	S	*	*			trans	-122.8	164.3	170.4	-110.4	152	0	0	0	108.8	P1110	L1108-P1110 HydrophobicContact CD2-CB 4.22Å; L1108-P1110 HydrophobicContact CD2-CG 4.4Å
1109	P	32.8	Very low	30	Very low	125 Å²	125	145.5 Å²	145.5	81%	0.812	78%	0.784	S	S	*	*				-141	142.7	112.1	36	-23.8	0	0	0	114.5
1110	P	34.1	Very low	29.9	Very low	94 Å²	94	150.8 Å²	150.8	61%	0.61	79%	0.789	S	S	*	*			trans	-114.8	-154.6	177	42.7	-32.8	0	0	0	113.2	L1108	L1108-P1110 HydrophobicContact CD2-CB 4.22Å; L1108-P1110 HydrophobicContact CD2-CG 4.4Å
1111	T	32.8	Very low	29.7	Very low	114 Å²	114	152.4 Å²	152.4	70%	0.699	79%	0.789	S	S	*	*			trans	88.4	150.3	175.3	79.1	0	0	0	0	115.7
1112	H	32.6	Very low	29.7	Very low	179 Å²	179	157.4 Å²	157.4	83%	0.829	79%	0.793	S	S	*	*			cis	-130.6	175.7	8.5	-108.1	-73.5	0	0	0	113.3
1113	I	27.1	Very low	29.6	Very low	148 Å²	148	154.3 Å²	154.3	76%	0.759	78%	0.783	S	S	*	*			trans	-125.6	138.5	-173	-61.2	161	0	0	0	110.8
1114	T	30.5	Very low	29.4	Very low	143 Å²	143	156.6 Å²	156.6	88%	0.877	80%	0.796	S	S	*	*			trans	-158.6	128.2	148.1	36.9	0	0	0	0	112.4
1115	P	28	Very low	29.5	Very low	123 Å²	123	152.8 Å²	152.8	80%	0.799	80%	0.797	S	S	*	*			trans	-112.1	153.7	165.5	37.7	-29.9	0	0	0	112.7
1116	A	30.9	Very low	29.4	Very low	104 Å²	104	152.9 Å²	152.9	86%	0.86	80%	0.796	S	S	*	*			trans	-141.7	142.2	172.7	0	0	0	0	0	112.5
1117	N	27.9	Very low	29.5	Very low	162 Å²	162	155 Å²	155	87%	0.866	80%	0.803	S	S	*	*			trans	-96.5	147.1	177.3	-75.4	-81.7	0	0	0	111.4
1118	T	32.4	Very low	29.5	Very low	148 Å²	148	150.3 Å²	150.3	91%	0.908	80%	0.799	S	S	*	*			trans	-152	143	136.3	9.6	0	0	0	0	111.6
1119	R	26.1	Very low	29.5	Very low	223 Å²	223	150.5 Å²	150.5	84%	0.842	81%	0.807	S	S	*	*			trans	-92	157.2	169.7	-56.2	171.1	-179.8	159	-2.1	109.3
1120	F	30.8	Very low	29.1	Very low	213 Å²	213	154 Å²	154	93%	0.934	81%	0.809	S	S	*	*			trans	-152	154.1	132.3	-111.9	-73	0	0	0	112.3
1121	N	26.5	Very low	29	Very low	136 Å²	136	157.2 Å²	157.2	73%	0.727	82%	0.82	S	S	*	*			trans	-100.7	148.3	-174	-62.9	-45.3	0	0	0	112.3
1122	R	28.1	Very low	28.6	Very low	242 Å²	242	161.6 Å²	161.6	91%	0.913	82%	0.823	S	S	*	*			trans	160.6	159.1	132.2	-89.3	166.3	172.5	174.1	-1.4	110.6
1123	S	26.7	Very low	28.5	Very low	88 Å²	88	161.2 Å²	161.2	62%	0.615	82%	0.822	S	S	*	*			cis	170	139.3	-47.5	53	0	0	0	0	109
1124	V	27.8	Very low	28.4	Very low	142 Å²	142	160.9 Å²	160.9	86%	0.861	82%	0.82	S	S	*	*			trans	70.3	143.4	164.5	176.1	0	0	0	0	113.5
1125	S	28.8	Very low	28.4	Very low	101 Å²	101	158.4 Å²	158.4	71%	0.706	81%	0.809	S	S	*	*			cis	-145.6	164.7	13.9	-147.3	0	0	0	0	116
1126	R	27.1	Very low	28.3	Very low	220 Å²	220	159 Å²	159	83%	0.83	81%	0.811	S	S	*	*			trans	-29.3	163.9	148.5	-69	157.9	175.2	172.2	-2.4	116
1127	K	27.6	Very low	28.5	Very low	193 Å²	193	159.5 Å²	159.5	84%	0.839	81%	0.805	S	S	*	*			cis	-162.7	170.9	23.9	-132.3	165.5	179.4	-169.4	0	110.2
1128	P	31.8	Very low	28.2	Very low	119 Å²	119	161.3 Å²	161.3	77%	0.773	80%	0.801	S	S	*	*			trans	-108.8	172.3	-173.5	40.5	-31.1	0	0	0	115.2
1129	T	29.7	Very low	28	Very low	144 Å²	144	162 Å²	162	88%	0.883	79%	0.794	S	S	*	*			trans	-136.4	137.6	171.7	-2.4	0	0	0	0	111.9
1130	K	24.8	Very low	27.9	Very low	198 Å²	198	158.5 Å²	158.5	86%	0.861	79%	0.792	S	S	*	*			trans	-105.5	149.8	169.7	-72.4	178.4	175.2	176.6	0	109.5
1131	I	30.6	Very low	27.7	Very low	162 Å²	162	155.6 Å²	155.6	83%	0.831	78%	0.784	S	S	*	*			trans	-122.5	141.8	157.8	-62.6	-177.9	0	0	0	108.2
1132	R	24.7	Very low	27.6	Very low	206 Å²	206	154.7 Å²	154.7	78%	0.777	79%	0.788	S	S	*	*			trans	-119	138.4	178.5	-79.1	174.9	165.3	170	-6.3	109.6
1133	H	31.1	Very low	27.5	Very low	171 Å²	171	148.8 Å²	148.8	79%	0.792	78%	0.779	S	S	*	*			trans	-136	129.7	133.9	-69.2	-86.3	0	0	0	105.4
1134	L	25.6	Very low	27.5	Very low	140 Å²	140	149.7 Å²	149.7	73%	0.733	79%	0.786	S	S	*	*				59.4	129.9	64.8	-85.8	74.2	0	0	0	112.3
1135	S	29.8	Very low	27.4	Very low	92 Å²	92	148.4 Å²	148.4	64%	0.643	78%	0.778	S	S	*	*			cis	-164.8	140.7	4.8	46.6	0	0	0	0	115.7
1136	T	26.5	Very low	27.3	Very low	136 Å²	136	153.7 Å²	153.7	83%	0.834	78%	0.784	S	S	*	*			trans	66.4	156.2	145.5	47.3	0	0	0	0	122.2
1137	P	33.5	Very low	27.3	Very low	113 Å²	113	149 Å²	149	73%	0.734	78%	0.775	S	S	*	*			trans	-118	179.1	-171.2	44.1	-32.4	0	0	0	114.4
1138	Y	23.4	Very low	27.1	Very low	201 Å²	201	147.1 Å²	147.1	79%	0.788	77%	0.773	S	S	*	*				167.8	168.8	122.8	-138.5	-92.4	0	0	0	112.4
1139	H	28.2	Very low	26.8	Very low	162 Å²	162	146.3 Å²	146.3	75%	0.75	77%	0.77	S	S	*	*			trans	81.8	121.3	162	-79.7	-62	0	0	0	121.7
1140	D	23.8	Very low	26.7	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	77%	0.765	S	S	*	*			trans	-76.6	140.6	162.5	-38.3	-101.8	0	0	0	112
1141	I	25.7	Very low	26.6	Very low	153 Å²	153	142.1 Å²	142.1	79%	0.785	76%	0.756	S	S	*	*			trans	-139.8	130.9	145.3	-64.4	-173.5	0	0	0	107.8	T1143	I1141-T1143 HydrophobicContact CG2-CG2 4.46Å
1142	S	24.5	Very low	26.4	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	76%	0.757	S	S	*	*			trans	-89	122.6	167.6	57.2	0	0	0	0	110.5
1143	T	26.6	Very low	26.3	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	75%	0.748	S	S	*	*			trans	-135.3	108.4	168.2	23.4	0	0	0	0	110.9	I1141	I1141-T1143 HydrophobicContact CG2-CG2 4.46Å
1144	S	25.4	Very low	26	Very low	107 Å²	107	131 Å²	131	75%	0.748	74%	0.738	S	S	*	*			trans	-65.8	125.3	165	49.9	0	0	0	0	110.4
1145	V	26.5	Very low	26	Very low	116 Å²	116	128.8 Å²	128.8	70%	0.703	73%	0.731	S	S	*	*			trans	-128.7	102.1	164.4	-179.3	0	0	0	0	108	L1147	V1145-L1147 HydrophobicContact CG1-CG 4.22Å
1146	Y	25.6	Very low	25.8	Very low	211 Å²	211	126.1 Å²	126.1	83%	0.827	71%	0.712	S	S	*	*			trans	-74.7	127.5	164.3	-74.4	-97.5	0	0	0	108.4
1147	L	27.9	Very low	25.8	Very low	121 Å²	121	124.3 Å²	124.3	63%	0.634	70%	0.701	S	S	*	*			trans	-128.6	127.4	159.1	-78	175.4	0	0	0	108.3	V1145 N1298	V1145-L1147 HydrophobicContact CG1-CG 4.22Å; L1147-N1298 WeakPolarHBondContact CD2-ND2 3.35Å
1148	L	24.2	Very low	25.5	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	67%	0.671	S	S	*	*			trans	-86.8	130.1	-174.9	-66.8	87.2	0	0	0	110.7
1149	S	25.5	Very low	25.8	Very low	102 Å²	102	111 Å²	111	71%	0.713	64%	0.638	S	S	*	*			trans	-152.9	140.8	149.5	54.1	0	0	0	0	111.7
1150	N	26.4	Very low	25.8	Very low	145 Å²	145	103.8 Å²	103.8	78%	0.775	61%	0.606	S	S	*	*			trans	61.3	69.4	156.2	-55.1	-6.5	0	0	0	119
1151	T	23.7	Very low	26.1	Very low	109 Å²	109	99.2 Å²	99.2	67%	0.669	58%	0.584	S	S	*	*				37.8	92.8	129.2	55.5	0	0	0	0	119.2
1152	P	25.4	Very low	26.5	Very low	129 Å²	129	92.7 Å²	92.7	84%	0.838	55%	0.552	S	S	*	*			trans	-86.6	121.6	159.6	32.6	-29.6	0	0	0	111.2
1153	S	24	Very low	26.9	Very low	85 Å²	85	87.6 Å²	87.6	59%	0.594	52%	0.516	S	S	*	.			trans	-75.4	152.2	164.4	53	0	0	0	0	110.5	T1155	S1153-T1155 VanDerWaalsContact C-N 3.29Å; S1153-T1155 PolarHBondContact O-N 2.98Å; S1153-T1155 PolarHBondContact O-OG1 3.19Å
1154	P	24.6	Very low	27	Very low	90 Å²	90	83.6 Å²	83.6	58%	0.584	49%	0.491	S	S	*	.			trans	-76	74	-166.4	31.2	-37.1	0	0	0	113	S1156	P1154-S1156 PolarHBondContact O-N 3.03Å
1155	T	25.6	Very low	27.1	Very low	95 Å²	95	79.2 Å²	79.2	58%	0.583	46%	0.461	S	S	*	.			trans	-87.8	98.1	172.7	36.2	0	0	0	0	109.9	S1153 V1157	S1153-T1155 VanDerWaalsContact C-N 3.29Å; S1153-T1155 PolarHBondContact O-N 2.98Å; S1153-T1155 PolarHBondContact O-OG1 3.19Å; T1155-V1157 PolarHBondContact O-N 2.73Å
1156	S	25.3	Very low	27.1	Very low	36 Å²	36	78 Å²	78	25%	0.252	45%	0.454	S	S	.	.			trans	-66.3	104.1	164.3	69.9	0	0	0	0	108.6	A762 P1154	A762-S1156 PolarHBondContact O-OG 3.27Å; P1154-S1156 PolarHBondContact O-N 3.03Å
1157	V	27	Very low	27.2	Very low	98 Å²	98	74 Å²	74	59%	0.594	45%	0.446	S	S	*	.			trans	-81.7	122	173.8	-179.1	0	0	0	0	107.8	T1155	T1155-V1157 PolarHBondContact O-N 2.73Å
1158	T	27.1	Very low	27.2	Very low	18 Å²	18	76.2 Å²	76.2	11%	0.11	46%	0.458	C	S	.	.			trans	-116.7	134.1	-161.9	43.8	0	0	0	0	111.4	I760	I760-T1158 HydrophobicContact CB-CG2 3.68Å; I760-T1158 HydrophobicContact CG2-CG2 3.84Å; I760-T1158 WeakPolarHBondContact O-CB 3.1Å; I760-T1158 WeakPolarHBondContact O-CG2 3.49Å; I760-T1158 PolarHBondContact O-OG1 3.2Å
1159	S	28.1	Very low	27.3	Very low	15 Å²	15	72.6 Å²	72.6	11%	0.105	44%	0.436	C	S	.	.			trans	-80.1	131.4	-174	62.1	0	0	0	0	112.4	Y502	Y502-S1159 WeakPolarHBondContact CE2-OG 3.42Å
1160	N	29.5	Very low	27.4	Very low	12 Å²	12	75.1 Å²	75.1	6%	0.064	44%	0.441	C	S	.	.			trans	-57.5	178.4	151.7	-86.4	2.1	0	0	0	110	R757 E759 S1162	R757-N1160 PolarHBondContact NH2-OD1 2.87Å; E759-N1160 PolarHBondContact OE1-OD1 2.99Å; N1160-S1162 WeakPolarHBondContact CB-O 3.45Å; N1160-S1162 CarbonylContact O-C 3.5Å; N1160-S1162 PolarHBondContact O-N 3.03Å
1161	P	29.8	Very low	27.4	Very low	52 Å²	52	77 Å²	77	34%	0.338	44%	0.443	S	S	.	.	S	Bend	trans	-59.6	13.4	157.3	26.5	-36.1	0	0	0	114.8	S343 T400	S343-P1161 PolarHBondContact OG-O 3.3Å; T400-P1161 PolarHBondContact N-O 3.42Å
1162	S	34.3	Very low	27.6	Very low	17 Å²	17	77.6 Å²	77.6	12%	0.119	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-141.8	136.4	162.7	49.6	0	0	0	0	110.2	V344 T400 N1160	V344-S1162 VanDerWaalsContact C-CB 3.46Å; V344-S1162 WeakPolarHBondContact O-CB 3.31Å; V344-S1162 PolarHBondContact O-OG 3.45Å; T400-S1162 WeakPolarHBondContact O-CA 3.28Å; N1160-S1162 WeakPolarHBondContact CB-O 3.45Å; N1160-S1162 CarbonylContact O-C 3.5Å; N1160-S1162 PolarHBondContact O-N 3.03Å
1163	T	31.6	Very low	27.6	Very low	9 Å²	9	76.9 Å²	76.9	6%	0.055	43%	0.429	C	S	.	.			trans	-100.8	97.6	-172.8	62.3	0	0	0	0	111.7	L345 L399 T400 F401 E402 W503 S1165	L345-T1163 WeakPolarHBondContact CD1-O 3.05Å; L399-T1163 HydrophobicContact CD1-CG2 4.45Å; T400-T1163 PolarHBondContact O-N 2.69Å; F401-T1163 VanDerWaalsContact CA-OG1 3.25Å; F401-T1163 WeakPolarHBondContact CA-OG1 3.32Å; F401-T1163 HydrophobicContact CB-CG2 3.83Å; F401-T1163 VanDerWaalsContact CB-OG1 3.3Å; F401-T1163 WeakPolarHBondContact CB-OG1 3.42Å; E402-T1163 PolarHBondContact N-OG1 3.47Å; W503-T1163 HydrophobicContact CB-CG2 4.07Å; W503-T1163 HydrophobicContact CG-CG2 4.41Å; T1163-S1165 PolarHBondContact O-N 2.88Å
1164	T	28.7	Very low	27.9	Very low	33 Å²	33	80.4 Å²	80.4	20%	0.202	43%	0.434	C	S	.	.			trans	-65.2	119.7	170	-34.5	0	0	0	0	109.7	E288	E288-T1164 HydrophobicContact CG-CG2 4.41Å; E288-T1164 WeakPolarHBondContact OE1-CB 3.22Å; E288-T1164 WeakPolarHBondContact OE1-CG2 3.49Å; E288-T1164 PolarHBondContact OE1-OG1 2.91Å
1165	S	28.5	Very low	27.9	Very low	15 Å²	15	82 Å²	82	11%	0.105	44%	0.438	C	S	.	.			trans	-81.2	114.8	168.6	178.3	0	0	0	0	110.6	E402 T1163 L1167	E402-S1165 VanDerWaalsContact OE1-CB 3.29Å; E402-S1165 WeakPolarHBondContact OE1-CB 3.39Å; E402-S1165 PolarHBondContact OE1-N 2.72Å; T1163-S1165 PolarHBondContact O-N 2.88Å; S1165-L1167 PolarHBondContact O-N 3.17Å
1166	T	26.4	Very low	27.9	Very low	92 Å²	92	82.4 Å²	82.4	56%	0.564	45%	0.445	S	S	*	.			trans	-85.8	76.9	172.6	53	0	0	0	0	111.3
1167	L	27.8	Very low	28	Very low	127 Å²	127	89.3 Å²	89.3	67%	0.665	47%	0.47	S	S	*	.	S	Bend	trans	-133.3	116.8	167.2	-85.4	166.8	0	0	0	108.8	S1165	S1165-L1167 PolarHBondContact O-N 3.17Å
1168	L	27.3	Very low	28	Very low	167 Å²	167	88.8 Å²	88.8	87%	0.874	48%	0.476	S	S	*	.			trans	42.8	80.8	174.2	-73.6	164	0	0	0	115.3
1169	K	27.4	Very low	28	Very low	79 Å²	79	96.5 Å²	96.5	34%	0.343	51%	0.511	S	S	.	.			trans	-102.9	15.9	174.8	-119.5	177.1	-174.9	177.1	0	114.8	P286 K1171	P286-K1169 PolarHBondContact O-NZ 3.22Å; K1169-K1171 VanDerWaalsContact C-N 3.25Å; K1169-K1171 PolarHBondContact O-N 2.72Å
1170	D	26.7	Very low	28	Very low	155 Å²	155	105 Å²	105	83%	0.829	55%	0.549	S	S	*	.			trans	-81.2	66.9	175.7	-60.4	-42.1	0	0	0	111.4
1171	K	27.8	Very low	27.8	Very low	185 Å²	185	111.7 Å²	111.7	80%	0.804	59%	0.585	S	S	*	*			trans	-150.9	30.1	168.2	-140.2	174.5	-174	175.8	0	115.5	K1169	K1169-K1171 VanDerWaalsContact C-N 3.25Å; K1169-K1171 PolarHBondContact O-N 2.72Å
1172	F	26.8	Very low	27.9	Very low	120 Å²	120	114.3 Å²	114.3	53%	0.526	60%	0.604	S	S	.	*			trans	-116.1	42.9	170.7	-78.9	-64.7	0	0	0	112.4	F1174	F1172-F1174 HydrophobicContact CB-CE2 4.27Å; F1172-F1174 HydrophobicContact CD1-CD2 4.48Å; F1172-F1174 HydrophobicContact CD1-CE1 4.27Å; F1172-F1174 AromaticContact CD1-CE2 3.58Å; F1172-F1174 HydrophobicContact CD1-CE2 3.58Å; F1172-F1174 AromaticContact CD1-CZ 3.46Å; F1172-F1174 HydrophobicContact CD1-CZ 3.46Å; F1172-F1174 VanDerWaalsContact CD1-CZ 3.46Å; F1172-F1174 HydrophobicContact CE1-CE2 4.36Å; F1172-F1174 AromaticContact CE1-CZ 3.82Å; F1172-F1174 HydrophobicContact CE1-CZ 3.82Å; F1172-F1174 HydrophobicContact CG-CE2 4.33Å; F1172-F1174 PolarHBondContact O-N 3.25Å
1173	T	24.6	Very low	27.6	Very low	115 Å²	115	120.6 Å²	120.6	71%	0.706	64%	0.637	S	S	*	*			trans	-79.5	104.7	153.1	46.2	0	0	0	0	107.7	D1175	T1173-D1175 PolarHBondContact O-N 3.16Å
1174	F	30.8	Very low	27.4	Very low	158 Å²	158	126.5 Å²	126.5	69%	0.693	67%	0.672	S	S	*	*			trans	-84.6	95.2	174	-71.1	-84.3	0	0	0	109.1	F1172 S1176	F1172-F1174 HydrophobicContact CB-CE2 4.27Å; F1172-F1174 HydrophobicContact CD1-CD2 4.48Å; F1172-F1174 HydrophobicContact CD1-CE1 4.27Å; F1172-F1174 AromaticContact CD1-CE2 3.58Å; F1172-F1174 HydrophobicContact CD1-CE2 3.58Å; F1172-F1174 AromaticContact CD1-CZ 3.46Å; F1172-F1174 HydrophobicContact CD1-CZ 3.46Å; F1172-F1174 VanDerWaalsContact CD1-CZ 3.46Å; F1172-F1174 HydrophobicContact CE1-CE2 4.36Å; F1172-F1174 AromaticContact CE1-CZ 3.82Å; F1172-F1174 HydrophobicContact CE1-CZ 3.82Å; F1172-F1174 HydrophobicContact CG-CE2 4.33Å; F1172-F1174 PolarHBondContact O-N 3.25Å; F1174-S1176 PolarHBondContact O-N 2.96Å
1175	D	25.4	Very low	27.3	Very low	124 Å²	124	132.5 Å²	132.5	66%	0.663	70%	0.702	S	S	*	*			trans	-66.1	117	177.5	-67.3	-38.3	0	0	0	110.9	T1173 F1177	T1173-D1175 PolarHBondContact O-N 3.16Å; D1175-F1177 VanDerWaalsContact C-N 3.35Å; D1175-F1177 HydrophobicContact CB-CD2 3.92Å; D1175-F1177 HydrophobicContact CB-CE2 3.78Å; D1175-F1177 PolarHBondContact O-N 2.77Å
1176	S	26	Very low	27.3	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	73%	0.732	S	S	*	*			trans	-79.4	78.3	179.9	59.5	0	0	0	0	111.3	F1174 A1178	F1174-S1176 PolarHBondContact O-N 2.96Å; S1176-A1178 PolarHBondContact O-N 2.86Å
1177	F	25.9	Very low	27.4	Very low	180 Å²	180	137.3 Å²	137.3	79%	0.789	74%	0.74	S	S	*	*			trans	-74.6	77.5	169.4	-80.3	-79.7	0	0	0	111.4	D1175	D1175-F1177 VanDerWaalsContact C-N 3.35Å; D1175-F1177 HydrophobicContact CB-CD2 3.92Å; D1175-F1177 HydrophobicContact CB-CE2 3.78Å; D1175-F1177 PolarHBondContact O-N 2.77Å
1178	A	28	Very low	27.4	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	75%	0.748	S	S	*	*			trans	-85.6	135.4	158.8	0	0	0	0	0	109.3	S1176 Q1180	S1176-A1178 PolarHBondContact O-N 2.86Å; A1178-Q1180 PolarHBondContact O-N 3.13Å
1179	E	26	Very low	27.5	Very low	181 Å²	181	137.5 Å²	137.5	85%	0.846	74%	0.743	S	S	*	*			trans	-70.1	128.5	-179.3	-60.8	176.5	112.7	0	0	111.7
1180	Q	29.1	Very low	27.6	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	76%	0.759	S	S	*	*			trans	-133.5	107	156.6	-74	-162.4	-17	0	0	110.4	A1178	A1178-Q1180 PolarHBondContact O-N 3.13Å
1181	N	25.8	Very low	27.9	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	76%	0.762	S	S	*	*			trans	-83	127.1	172.5	-82.4	-59.7	0	0	0	110.6
1182	S	30.6	Very low	27.8	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	76%	0.76	S	S	*	*			trans	-152.2	84.3	157.2	67	0	0	0	0	113.5
1183	N	28.2	Very low	28.1	Very low	149 Å²	149	140 Å²	140	80%	0.797	78%	0.776	S	S	*	*			trans	58.6	127.9	134.9	-64	-13.5	0	0	0	122.2
1184	V	28.3	Very low	28.1	Very low	133 Å²	133	140 Å²	140	81%	0.806	77%	0.771	S	S	*	*			trans	77.2	133.4	133.1	170.6	0	0	0	0	116.1
1185	L	26.7	Very low	27.9	Very low	159 Å²	159	140.6 Å²	140.6	83%	0.832	78%	0.78	S	S	*	*			cis	-148.9	136.4	16.1	-174	61.2	0	0	0	113.7
1186	G	28.8	Very low	28.1	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	78%	0.779	S	S	*	*			trans	67.7	162.4	148.9	0	0	0	0	0	119.9
1187	D	28	Very low	28.1	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	78%	0.784	S	S	*	*			cis	-159.2	172.2	-25.9	-152.2	-22.3	0	0	0	109.4
1188	C	27.9	Very low	28.3	Very low	122 Å²	122	139.5 Å²	139.5	82%	0.824	79%	0.785	S	S	*	*			trans	107.2	71.1	177.2	-57.8	0	0	0	0	117.7
1189	K	29	Very low	28.2	Very low	175 Å²	175	142.3 Å²	142.3	76%	0.761	79%	0.788	S	S	*	*				-9.1	152.1	129.3	-65.3	171.4	-176.4	160	0	117.1
1190	T	29.7	Very low	28.4	Very low	114 Å²	114	144.3 Å²	144.3	70%	0.699	79%	0.788	S	S	*	*			cis	-167	147.6	1.2	16.3	0	0	0	0	110
1191	N	33.4	Very low	28.4	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	78%	0.784	S	S	*	*				-176.7	107.7	118.9	-93.2	-16.8	0	0	0	110.3
1192	L	25.4	Very low	28.5	Very low	147 Å²	147	142 Å²	142	77%	0.77	78%	0.782	S	S	*	*			trans	-128.8	133.7	-178	-126.2	160.8	0	0	0	107.7
1193	I	31.8	Very low	28.4	Very low	167 Å²	167	144.4 Å²	144.4	86%	0.856	79%	0.786	S	S	*	*			trans	-104.2	110.6	164	-65.9	179.4	0	0	0	106.5
1194	N	24.8	Very low	28.4	Very low	113 Å²	113	143.9 Å²	143.9	60%	0.604	78%	0.783	S	S	*	*			trans	-74.4	146.7	179.5	-63.8	-20.4	0	0	0	111
1195	I	27.9	Very low	28.4	Very low	171 Å²	171	145.9 Å²	145.9	88%	0.877	79%	0.79	S	S	*	*			trans	-123.7	125.7	135.1	-61.6	-177.3	0	0	0	106.1
1196	T	28.1	Very low	28.4	Very low	104 Å²	104	145.9 Å²	145.9	64%	0.638	79%	0.785	S	S	*	*			trans	-82.6	153.4	-174.6	42.5	0	0	0	0	112
1197	P	27.7	Very low	28.3	Very low	129 Å²	129	150 Å²	150	84%	0.838	79%	0.791	S	S	*	*			trans	-66.9	145.3	161.3	31.9	-34	0	0	0	109.4
1198	D	28.6	Very low	28.3	Very low	152 Å²	152	151.9 Å²	151.9	81%	0.813	80%	0.8	S	S	*	*			trans	-129.5	148	165.6	-165.1	7.1	0	0	0	109.2
1199	N	27.4	Very low	28.2	Very low	146 Å²	146	149.4 Å²	149.4	78%	0.781	80%	0.795	S	S	*	*			trans	-122.6	94.2	-158.1	-173.4	12.2	0	0	0	110.6
1200	R	28.9	Very low	28.1	Very low	224 Å²	224	147.2 Å²	147.2	85%	0.845	79%	0.792	S	S	*	*			trans	-131.8	127.7	171.4	-80.5	-171.7	171.6	-177.2	-2.1	111.8	D1202	R1200-D1202 PolarHBondContact O-N 3.29Å
1201	N	29.6	Very low	28	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	80%	0.796	S	S	*	*			trans	-59.3	130.6	158.9	-64.7	-31.1	0	0	0	109.1
1202	D	28.7	Very low	27.6	Very low	147 Å²	147	150.3 Å²	150.3	79%	0.786	79%	0.79	S	S	*	*			trans	-148.9	141.7	139.6	-107.8	-40	0	0	0	109.4	R1200 N1204	R1200-D1202 PolarHBondContact O-N 3.29Å; D1202-N1204 PolarHBondContact O-N 2.9Å
1203	N	27.5	Very low	27.7	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	79%	0.785	S	S	*	*			trans	-79.2	111.3	-168.8	-59.9	-75.4	0	0	0	111.1
1204	N	28.8	Very low	27.5	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	78%	0.783	S	S	*	*			trans	-149.3	72.9	167.7	-85.2	-58.4	0	0	0	111.4	D1202 E1206	D1202-N1204 PolarHBondContact O-N 2.9Å; N1204-E1206 PolarHBondContact O-N 2.73Å
1205	N	27.6	Very low	27.6	Very low	176 Å²	176	145 Å²	145	94%	0.941	78%	0.782	S	S	*	*			trans	-79.4	60.5	173.8	-88	-14.4	0	0	0	111.9
1206	E	26.2	Very low	27.6	Very low	158 Å²	158	145.3 Å²	145.3	74%	0.738	77%	0.773	S	S	*	*			trans	-130.7	155.5	173.6	-65.1	-165	158.5	0	0	111.3	N1204	N1204-E1206 PolarHBondContact O-N 2.73Å
1207	N	27.1	Very low	27.5	Very low	157 Å²	157	148.6 Å²	148.6	84%	0.84	78%	0.779	S	S	*	*	S	Bend	trans	82	32.6	179.6	-50.5	-72.9	0	0	0	118.7
1208	L	28.1	Very low	27.7	Very low	178 Å²	178	149.2 Å²	149.2	93%	0.932	77%	0.766	S	S	*	*	S	Bend	trans	-137.5	10.7	149.1	-123.1	141.2	0	0	0	114.8
1209	G	25.5	Very low	27.7	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	76%	0.759	S	S	*	*			trans	-97.4	87.1	171.6	0	0	0	0	0	112.3
1210	N	26.5	Very low	27.9	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	76%	0.761	S	S	*	*			trans	-159.3	39.9	164.2	-110.2	-39.9	0	0	0	113.2	Y1212	N1210-Y1212 PolarHBondContact O-N 2.82Å
1211	L	27.7	Very low	28.1	Very low	149 Å²	149	141.5 Å²	141.5	78%	0.78	76%	0.758	S	S	*	*			trans	-73.8	110.4	161.8	-143	82.9	0	0	0	107.3	L1213	L1211-L1213 VanDerWaalsContact C-N 3.27Å; L1211-L1213 PolarHBondContact O-N 3.48Å
1212	Y	26.7	Very low	28.2	Very low	194 Å²	194	143 Å²	143	76%	0.761	76%	0.76	S	S	*	*			trans	-70.2	79.4	-175.3	-96.9	-95.3	0	0	0	112.5	N1210 T1214	N1210-Y1212 PolarHBondContact O-N 2.82Å; Y1212-T1214 PolarHBondContact O-N 3.17Å
1213	L	26.9	Very low	28.5	Very low	127 Å²	127	142 Å²	142	67%	0.665	76%	0.762	S	S	*	*			trans	-68	90.4	171.3	-79.9	163.6	0	0	0	110.4	L1211 F1217	L1211-L1213 VanDerWaalsContact C-N 3.27Å; L1211-L1213 PolarHBondContact O-N 3.48Å; L1213-F1217 HydrophobicContact CD1-CZ 4.39Å
1214	T	26.5	Very low	28.5	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	76%	0.757	S	S	*	*			trans	-112.6	84.6	168.9	40	0	0	0	0	108.7	Y1212	Y1212-T1214 PolarHBondContact O-N 3.17Å
1215	G	27.7	Very low	28.9	Very low	57 Å²	57	143.8 Å²	143.8	59%	0.588	76%	0.764	S	S	*	*	S	Bend	trans	173.4	60.2	-172.1	0	0	0	0	0	114.2
1216	Y	28	Very low	29	Very low	177 Å²	177	141.4 Å²	141.4	69%	0.694	75%	0.751	S	S	*	*			trans	58.2	100.4	169.3	-63.5	-85.4	0	0	0	117.6
1217	F	26.1	Very low	29.3	Very low	173 Å²	173	143.3 Å²	143.3	76%	0.759	76%	0.76	S	S	*	*			trans	-75.5	132.2	149.5	-80.5	-93.3	0	0	0	109.3	L1213	L1213-F1217 HydrophobicContact CD1-CZ 4.39Å
1218	Y	31.7	Very low	29.3	Very low	143 Å²	143	142.3 Å²	142.3	56%	0.561	76%	0.76	S	S	*	*			trans	-108	132.2	149.4	-87	-94.6	0	0	0	107
1219	A	28.6	Very low	29.6	Very low	81 Å²	81	142.1 Å²	142.1	67%	0.669	76%	0.758	S	S	*	*			trans	-120.5	131.9	177	0	0	0	0	0	108.9
1220	P	32.3	Very low	29.7	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	76%	0.76	S	S	*	*			trans	-69.4	140.2	174.6	29.9	-33.8	0	0	0	110.3
1221	I	32.6	Very low	29.8	Very low	153 Å²	153	144.5 Å²	144.5	79%	0.785	77%	0.766	S	S	*	*			trans	-91.6	112	178.4	-57.7	173.9	0	0	0	109
1222	E	31.7	Very low	29.9	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-88.1	137.6	164.3	-70.2	-166.4	136.8	0	0	110.9
1223	P	34.2	Very low	29.9	Very low	127 Å²	127	144.8 Å²	144.8	83%	0.825	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-80.5	135.3	177	32.1	-33.4	0	0	0	111.9
1224	L	28.2	Very low	30.1	Very low	141 Å²	141	145.3 Å²	145.3	74%	0.738	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.9	126.6	-175.9	-171.9	77.8	0	0	0	113.1
1225	H	36.7	Very low	30.2	Very low	190 Å²	190	143.9 Å²	143.9	88%	0.88	78%	0.78	S	S	*	*			trans	-140.2	126.2	148	-124.8	61	0	0	0	112.5
1226	N	29.4	Very low	30.4	Very low	125 Å²	125	148.4 Å²	148.4	67%	0.668	79%	0.79	S	S	*	*			trans	-84	129.9	-177.8	-70.9	-29.7	0	0	0	111
1227	Q	33.9	Very low	30.4	Very low	199 Å²	199	145.4 Å²	145.4	93%	0.93	79%	0.792	S	S	*	*				-158.3	126.3	127.9	-111.3	166.4	30.4	0	0	111.5
1228	T	27.1	Very low	30.4	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	79%	0.788	S	S	*	*			trans	-81.6	136.5	178.1	46.6	0	0	0	0	111.8
1229	I	32.9	Very low	30.1	Very low	174 Å²	174	141.9 Å²	141.9	89%	0.892	80%	0.8	S	S	*	*			trans	-156.9	157.4	146.6	-102.5	145.8	0	0	0	109.4
1230	T	28.5	Very low	29.9	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	81%	0.807	S	S	*	*			trans	-75.9	159.2	-162	39.2	0	0	0	0	116.3
1231	P	28.6	Very low	29.7	Very low	126 Å²	126	149.4 Å²	149.4	82%	0.818	80%	0.804	S	S	*	*			trans	-86.8	149.9	-167.7	34.5	-37.1	0	0	0	115.1
1232	T	29.4	Very low	29.3	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	80%	0.8	S	S	*	*			trans	-131.9	144.2	164.6	41.9	0	0	0	0	110.7
1233	K	27.6	Very low	29.1	Very low	217 Å²	217	145.4 Å²	145.4	94%	0.943	79%	0.794	S	S	*	*			trans	-82.7	123.6	175.8	-73	178.8	174.6	178.9	0	110.2
1234	T	30	Very low	28.7	Very low	137 Å²	137	147.7 Å²	147.7	84%	0.84	79%	0.794	S	S	*	*			trans	-142.8	148.9	162.9	-26.5	0	0	0	0	110.1
1235	S	28.6	Very low	28.6	Very low	103 Å²	103	148 Å²	148	72%	0.72	80%	0.796	S	S	*	*			trans	-102.8	131	-168.6	53.5	0	0	0	0	113.7
1236	L	31.7	Very low	28.3	Very low	151 Å²	151	145.1 Å²	145.1	79%	0.791	79%	0.794	S	S	*	*			trans	65.4	158.3	163.7	-114.8	74.2	0	0	0	115	T1238	L1236-T1238 HydrophobicContact CD2-CG2 4.16Å
1237	P	28.5	Very low	28.1	Very low	115 Å²	115	147.7 Å²	147.7	75%	0.747	80%	0.802	S	S	*	*				-131	160	59.6	38.7	-24.6	0	0	0	116.3	T1239	P1237-T1239 PolarHBondContact O-N 3.36Å
1238	T	25.6	Very low	27.8	Very low	111 Å²	111	146.1 Å²	146.1	68%	0.681	79%	0.794	S	S	*	*			trans	-63.8	117.9	163.6	47.3	0	0	0	0	111.1	L1236 R1240	L1236-T1238 HydrophobicContact CD2-CG2 4.16Å; T1238-R1240 PolarHBondContact O-N 3.3Å
1239	T	27	Very low	27.9	Very low	130 Å²	130	148.3 Å²	148.3	80%	0.798	80%	0.795	S	S	*	*			trans	-75.8	101.8	166.4	35.3	0	0	0	0	110.2	P1237 I1241	P1237-T1239 PolarHBondContact O-N 3.36Å; T1239-I1241 PolarHBondContact O-N 2.73Å
1240	R	24.4	Very low	27.6	Very low	216 Å²	216	146.6 Å²	146.6	82%	0.815	79%	0.787	S	S	*	*			trans	-64.8	114.3	161.3	-71	-176.3	-178.2	176.5	0.6	108	T1238 N1242	T1238-R1240 PolarHBondContact O-N 3.3Å; R1240-N1242 VanDerWaalsContact C-N 3.33Å; R1240-N1242 PolarHBondContact O-N 3.33Å
1241	I	27.5	Very low	27.6	Very low	149 Å²	149	151.6 Å²	151.6	76%	0.764	79%	0.794	S	S	*	*			trans	-80.5	92	159.8	-56.8	-179.6	0	0	0	106.2	T1239 V1243	T1239-I1241 PolarHBondContact O-N 2.73Å; I1241-V1243 HydrophobicContact CG2-CG2 3.92Å; I1241-V1243 PolarHBondContact O-N 3.49Å; I1241-V1243 VanDerWaalsContact O-N 3.14Å
1242	N	23.6	Very low	27.5	Very low	130 Å²	130	153.7 Å²	153.7	70%	0.695	79%	0.793	S	S	*	*			trans	-66.2	106	159.8	-74.4	6.3	0	0	0	106.6	R1240	R1240-N1242 VanDerWaalsContact C-N 3.33Å; R1240-N1242 PolarHBondContact O-N 3.33Å
1243	V	28.3	Very low	27.3	Very low	121 Å²	121	153.1 Å²	153.1	73%	0.733	79%	0.789	S	S	*	*			trans	-83.8	112.3	159.1	-177.5	0	0	0	0	105.7	I1241	I1241-V1243 HydrophobicContact CG2-CG2 3.92Å; I1241-V1243 PolarHBondContact O-N 3.49Å; I1241-V1243 VanDerWaalsContact O-N 3.14Å
1244	E	25.7	Very low	27.3	Very low	175 Å²	175	152.9 Å²	152.9	82%	0.818	78%	0.782	S	S	*	*			trans	-63.7	137.3	176.8	-67.3	171.4	128.7	0	0	109.7
1245	L	25.4	Very low	27.2	Very low	148 Å²	148	154 Å²	154	78%	0.775	78%	0.778	S	S	*	*			trans	-67.6	137.1	166.3	-78.7	76.7	0	0	0	107.8	E1247	L1245-E1247 PolarHBondContact O-N 3.27Å; L1245-E1247 VanDerWaalsContact O-N 3.13Å
1246	P	30.4	Very low	27.2	Very low	129 Å²	129	154.8 Å²	154.8	84%	0.838	78%	0.778	S	S	*	*			trans	-60.8	114.7	158.5	-16.2	30.4	0	0	0	108
1247	E	25.7	Very low	27.1	Very low	179 Å²	179	153.7 Å²	153.7	84%	0.836	78%	0.78	S	S	*	*			trans	-65.4	161.7	176.8	-70.2	-166.3	126.7	0	0	111.9	L1245 H1249	L1245-E1247 PolarHBondContact O-N 3.27Å; L1245-E1247 VanDerWaalsContact O-N 3.13Å; E1247-H1249 PolarHBondContact O-N 3Å
1248	H	26.3	Very low	27	Very low	166 Å²	166	153.9 Å²	153.9	77%	0.769	78%	0.779	S	S	*	*			trans	-57.1	129.8	173.8	-85.5	-116.1	0	0	0	111.4
1249	H	30.8	Very low	27.3	Very low	181 Å²	181	156.2 Å²	156.2	84%	0.838	79%	0.786	S	S	*	*			trans	-118.8	98.4	154.6	-94.5	21.5	0	0	0	108.9	E1247 Y1251	E1247-H1249 PolarHBondContact O-N 3Å; H1249-Y1251 PolarHBondContact O-N 3.33Å
1250	D	25.5	Very low	27.2	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	78%	0.779	S	S	*	*			trans	-59.3	129.1	164.3	-70.7	-50.3	0	0	0	109.5
1251	Y	29.2	Very low	27.4	Very low	229 Å²	229	149.2 Å²	149.2	90%	0.898	78%	0.776	S	S	*	*			trans	-129.8	136.5	155.5	-113.8	-86.7	0	0	0	110.6	H1249	H1249-Y1251 PolarHBondContact O-N 3.33Å
1252	Q	26.1	Very low	27.4	Very low	171 Å²	171	148.9 Å²	148.9	80%	0.799	77%	0.771	S	S	*	*			trans	-87.4	138.6	-156.2	-64.4	177	-22.6	0	0	113.8
1253	T	25.5	Very low	27.6	Very low	119 Å²	119	151.3 Å²	151.3	73%	0.73	77%	0.771	S	S	*	*			trans	51.1	123.8	146.4	60.5	0	0	0	0	119.5
1254	R	27.2	Very low	27.8	Very low	213 Å²	213	152 Å²	152	80%	0.804	77%	0.771	S	S	*	*				-166.7	128.6	91.1	-100.3	179.4	-171.4	-156.7	3.8	114.6
1255	Q	28.8	Very low	27.8	Very low	161 Å²	161	151 Å²	151	75%	0.752	77%	0.766	S	S	*	*			trans	57.2	102.9	138.7	-65.7	171.1	-58	0	0	119.8
1256	T	27.6	Very low	28.2	Very low	118 Å²	118	152.4 Å²	152.4	72%	0.724	77%	0.773	S	S	*	*			trans	-65.3	173.5	144	51.8	0	0	0	0	111.4
1257	P	30.5	Very low	27.9	Very low	128 Å²	128	152.8 Å²	152.8	83%	0.831	77%	0.768	S	S	*	*				-137.2	156.4	97.7	37.8	-27.5	0	0	0	115.1
1258	T	26.5	Very low	28.3	Very low	119 Å²	119	151.1 Å²	151.1	73%	0.73	77%	0.77	S	S	*	*			trans	-116.7	130.8	177.7	44.3	0	0	0	0	111.5
1259	I	31.9	Very low	28.2	Very low	161 Å²	161	146.3 Å²	146.3	83%	0.826	77%	0.766	S	S	*	*			trans	-148.3	118.8	163.2	-53.5	-179.5	0	0	0	105.1
1260	S	25.3	Very low	28	Very low	93 Å²	93	147.5 Å²	147.5	65%	0.65	77%	0.769	S	S	*	*			cis	105.9	128.7	17.2	86.2	0	0	0	0	114.6
1261	S	28	Very low	28.1	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	77%	0.772	S	S	*	*			trans	75.4	154.3	169.5	91	0	0	0	0	117.1
1262	H	27.8	Very low	27.9	Very low	142 Å²	142	144.8 Å²	144.8	66%	0.657	77%	0.766	S	S	*	*			cis	-162.5	153.1	-3.3	-132.2	-25.7	0	0	0	113.3
1263	Y	28.2	Very low	28.1	Very low	180 Å²	180	142.2 Å²	142.2	71%	0.706	76%	0.764	S	S	*	*			trans	65.9	157	162.3	-68	-68.1	0	0	0	118
1264	N	31	Very low	28.1	Very low	137 Å²	137	145.6 Å²	145.6	73%	0.733	77%	0.769	S	S	*	*			cis	-140.3	167.6	7.2	-141.7	-23.4	0	0	0	114.2
1265	Q	26.8	Very low	28	Very low	153 Å²	153	141.2 Å²	141.2	72%	0.715	77%	0.771	S	S	*	*			trans	-94	149.5	-172.3	-56.5	170	-50.3	0	0	114.1
1266	I	32.3	Very low	27.9	Very low	178 Å²	178	140.6 Å²	140.6	91%	0.913	77%	0.771	S	S	*	*			trans	-135.1	139.2	135.4	-63.5	-173	0	0	0	107.6
1267	N	25.4	Very low	27.7	Very low	136 Å²	136	142.2 Å²	142.2	73%	0.727	77%	0.774	S	S	*	*			trans	-125	125.9	-163.9	-148.2	1.7	0	0	0	111.9
1268	T	32.7	Very low	27.6	Very low	144 Å²	144	142.3 Å²	142.3	88%	0.883	77%	0.773	S	S	*	*			trans	-171.7	141.4	152.1	33.6	0	0	0	0	107.7
1269	G	24.7	Very low	27.5	Very low	66 Å²	66	144 Å²	144	68%	0.68	77%	0.772	S	S	*	*			cis	168.1	60.4	-2.8	0	0	0	0	0	111.8
1270	F	27.8	Very low	27.2	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.904	77%	0.771	S	S	*	*			trans	-116.1	132.5	-179.5	-101.1	-87.7	0	0	0	112.8
1271	I	27.9	Very low	27.4	Very low	158 Å²	158	142.9 Å²	142.9	81%	0.81	78%	0.782	S	S	*	*			trans	-84.7	134.5	-174.2	-63.4	168.7	0	0	0	109.7	P1273	I1271-P1273 WeakPolarHBondContact O-CD 3.43Å
1272	I	25.1	Very low	27.4	Very low	152 Å²	152	145.8 Å²	145.8	78%	0.779	79%	0.788	S	S	*	*			trans	-97.4	113.2	174.9	-60.4	168	0	0	0	109
1273	P	29.7	Very low	27.3	Very low	116 Å²	116	143.9 Å²	143.9	75%	0.753	79%	0.791	S	S	*	*			trans	-68.8	138.8	163.8	-15.3	31.4	0	0	0	109.9	I1271	I1271-P1273 WeakPolarHBondContact O-CD 3.43Å
1274	K	25.3	Very low	27.5	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	80%	0.797	S	S	*	*			trans	-69.2	157.5	-174.5	-68.8	174.9	178	175.2	0	112.8	I1276	K1274-I1276 PolarHBondContact O-N 3.3Å
1275	S	25	Very low	27.3	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	80%	0.8	S	S	*	*			trans	-45.1	125.9	166.4	51.7	0	0	0	0	112.8
1276	I	26.6	Very low	27.4	Very low	149 Å²	149	146.8 Å²	146.8	76%	0.764	81%	0.807	S	S	*	*			trans	-100.6	114.8	165	-66.1	177.5	0	0	0	108	K1274 V1278	K1274-I1276 PolarHBondContact O-N 3.3Å; I1276-V1278 HydrophobicContact CG2-CG2 4.3Å; I1276-V1278 PolarHBondContact O-N 3.06Å
1277	L	24.4	Very low	27.3	Very low	151 Å²	151	144.3 Å²	144.3	79%	0.791	79%	0.792	S	S	*	*			trans	-74.4	110.9	173.4	-169.1	84.3	0	0	0	108.6	Q1279	L1277-Q1279 HydrophobicContact CD2-CG 4.43Å; L1277-Q1279 PolarHBondContact O-N 2.94Å
1278	V	27.2	Very low	27.4	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	79%	0.794	S	S	*	*			trans	-92.5	97.3	178.4	-177.2	0	0	0	0	109.5	I1276	I1276-V1278 HydrophobicContact CG2-CG2 4.3Å; I1276-V1278 PolarHBondContact O-N 3.06Å
1279	Q	25	Very low	27.3	Very low	155 Å²	155	146 Å²	146	72%	0.724	79%	0.79	S	S	*	*			trans	-68.8	151.6	169.6	-68.4	-180	-59.8	0	0	111	L1277 A1281	L1277-Q1279 HydrophobicContact CD2-CG 4.43Å; L1277-Q1279 PolarHBondContact O-N 2.94Å; Q1279-A1281 PolarHBondContact O-N 3.22Å
1280	P	25	Very low	27.5	Very low	123 Å²	123	150.5 Å²	150.5	80%	0.799	79%	0.793	S	S	*	*			trans	-69.3	118.3	172.1	28.9	-33.4	0	0	0	110.2	L1282	P1280-L1282 PolarHBondContact O-N 3Å
1281	A	29.6	Very low	27.5	Very low	107 Å²	107	147.7 Å²	147.7	88%	0.884	79%	0.787	S	S	*	*			trans	-76.6	108.4	177.6	0	0	0	0	0	110.7	Q1279	Q1279-A1281 PolarHBondContact O-N 3.22Å
1282	L	27.1	Very low	27.7	Very low	166 Å²	166	147.7 Å²	147.7	87%	0.869	79%	0.788	S	S	*	*			trans	-75.8	153.5	168.2	-132.7	74.5	0	0	0	110.5	P1280	P1280-L1282 PolarHBondContact O-N 3Å
1283	S	27.3	Very low	27.8	Very low	102 Å²	102	148 Å²	148	71%	0.713	79%	0.792	S	S	*	*			trans	-75.5	143.7	-178	54.1	0	0	0	0	114
1284	S	32.5	Very low	27.8	Very low	118 Å²	118	147.3 Å²	147.3	83%	0.825	79%	0.789	S	S	*	*			trans	-147.7	144.9	156.1	60	0	0	0	0	112.5
1285	F	25.6	Very low	28	Very low	183 Å²	183	145.5 Å²	145.5	80%	0.803	79%	0.787	S	S	*	*			trans	-73.5	149.1	-179.7	-83.4	-126.5	0	0	0	112.3
1286	R	30.4	Very low	28.2	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	78%	0.781	S	S	*	*				-161.3	167.4	109.8	-120	-174.2	168.7	140.9	1.8	116.3
1287	E	28.8	Very low	28.3	Very low	126 Å²	126	146.4 Å²	146.4	59%	0.589	78%	0.783	S	S	*	*			trans	-91	156	-157.3	-54.9	142.7	97.5	0	0	114.5
1288	N	28.4	Very low	28.5	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	78%	0.777	S	S	*	*			trans	58.1	151.8	146.7	-52.3	-20.5	0	0	0	118.7
1289	E	29.7	Very low	28.7	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.794	77%	0.765	S	S	*	*			cis	-145.2	160.9	28.1	-79.7	-172.3	132.8	0	0	115.2
1290	H	30.1	Very low	29.1	Very low	160 Å²	160	143.6 Å²	143.6	74%	0.741	77%	0.769	S	S	*	*			trans	23.7	112.1	146.1	-70.3	-78.4	0	0	0	123.3
1291	L	27.9	Very low	29.6	Very low	148 Å²	148	142.5 Å²	142.5	78%	0.775	76%	0.756	S	S	*	*				53.1	107.6	107.3	-162.9	92.5	0	0	0	119.3
1292	N	30.5	Very low	29.9	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	74%	0.744	S	S	*	*			trans	-158.8	150.6	137.7	-115.2	-35.3	0	0	0	114.3
1293	N	28.7	Very low	30.4	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	73%	0.73	S	S	*	*			trans	-117.6	111.1	178.6	-92.1	-26.3	0	0	0	111
1294	S	29.2	Very low	30.8	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	73%	0.728	S	S	*	*			trans	-166.3	115.7	163	45.6	0	0	0	0	109
1295	I	28.7	Very low	31.2	Very low	153 Å²	153	140.2 Å²	140.2	79%	0.785	72%	0.718	S	S	*	*				74.7	98.8	80.4	-66.1	166.5	0	0	0	112.8
1296	I	28.9	Very low	31.8	Very low	138 Å²	138	136.9 Å²	136.9	71%	0.708	71%	0.707	S	S	*	*			trans	59.1	96.8	143.9	-52.8	172.1	0	0	0	118.3
1297	N	29	Very low	32.2	Very low	150 Å²	150	134 Å²	134	80%	0.802	71%	0.709	S	S	*	*				177.7	153.7	109.4	-98.6	-41	0	0	0	112.6
1298	N	28.6	Very low	32.9	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	72%	0.719	S	S	*	*			trans	-93.1	120.8	176.2	-74.7	-12.9	0	0	0	111.6	L1147	L1147-N1298 WeakPolarHBondContact CD2-ND2 3.35Å
1299	T	32.3	Very low	33.1	Very low	88 Å²	88	130.8 Å²	130.8	54%	0.54	71%	0.71	S	S	.	*			trans	-134.1	126.8	157.9	42.3	0	0	0	0	108.8	I1301	T1299-I1301 PolarHBondContact O-N 3.31Å
1300	M	32.3	Very low	33.6	Very low	165 Å²	165	127.3 Å²	127.3	81%	0.813	70%	0.701	S	S	*	*			trans	-79.7	110.5	174.3	-84	-170.5	169.6	0	0	109.6
1301	I	36.4	Very low	33.9	Very low	100 Å²	100	126 Å²	126	51%	0.513	69%	0.693	S	S	.	*			trans	-97.3	109.1	170.5	-57.1	171	0	0	0	107.5	T1299 T1312 T1314	T1299-I1301 PolarHBondContact O-N 3.31Å; I1301-T1312 HydrophobicContact CG2-CG2 3.74Å; I1301-T1314 HydrophobicContact CB-CG2 4.44Å; I1301-T1314 HydrophobicContact CG1-CG2 3.74Å
1302	T	35.4	Very low	34.5	Very low	105 Å²	105	123.3 Å²	123.3	64%	0.644	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.2	102.1	168.9	46.3	0	0	0	0	109.9
1303	T	37.4	Very low	34.9	Very low	92 Å²	92	121.1 Å²	121.1	56%	0.564	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.4	139.3	162.9	25.4	0	0	0	0	110.4	T1312	T1303-T1312 HydrophobicContact CG2-CG2 3.44Å; T1303-T1312 VanDerWaalsContact CG2-CG2 3.44Å
1304	K	35.3	Very low	35.3	Very low	158 Å²	158	118 Å²	118	69%	0.687	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.3	126.9	167.6	-145.4	177.5	-172.2	-178.8	0	109.6	F1311	K1304-F1311 PolarHBondContact N-O 3.48Å; K1304-F1311 VanDerWaalsContact N-O 3.15Å; K1304-F1311 PolarHBondContact O-N 3.15Å
1305	C	42	Very low	35.7	Very low	91 Å²	91	121.2 Å²	121.2	62%	0.615	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.8	130.9	173.2	-50.3	0	0	0	0	109.4	E1309 T1310	C1305-E1309 WeakPolarHBondContact CA-O 3.41Å; C1305-T1310 WeakPolarHBondContact SG-CG2 3.47Å
1306	I	38.4	Very low	35.8	Very low	112 Å²	112	120.6 Å²	120.6	57%	0.574	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.2	133.4	164.9	-58.8	-179.1	0	0	0	106.3	G1308 E1309	I1306-G1308 PolarHBondContact O-N 3.25Å; I1306-E1309 PolarHBondContact N-O 2.92Å; I1306-E1309 PolarHBondContact O-N 3.49Å
1307	D	37.7	Very low	36.1	Very low	170 Å²	170	120 Å²	120	91%	0.909	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.5	27.2	176.7	-55.5	-25.9	0	0	0	116.6
1308	G	45.1	Very low	36.4	Very low	76 Å²	76	119.6 Å²	119.6	78%	0.784	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.5	-14	176.3	0	0	0	0	0	115	I1306	I1306-G1308 PolarHBondContact O-N 3.25Å
1309	E	32.2	Very low	36.5	Very low	128 Å²	128	122.7 Å²	122.7	60%	0.598	68%	0.678	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.7	137.7	177.1	-65	-166.9	153.5	0	0	111.9	C1305 I1306 F1311	C1305-E1309 WeakPolarHBondContact CA-O 3.41Å; I1306-E1309 PolarHBondContact N-O 2.92Å; I1306-E1309 PolarHBondContact O-N 3.49Å; E1309-F1311 HydrophobicContact CB-CD2 4.21Å; E1309-F1311 HydrophobicContact CB-CE2 3.77Å; E1309-F1311 WeakPolarHBondContact OE2-CE2 3.45Å
1310	T	40.3	Very low	36.4	Very low	98 Å²	98	126.4 Å²	126.4	60%	0.601	69%	0.694	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.9	102.6	178.1	32.5	0	0	0	0	110.2	C1305	C1305-T1310 WeakPolarHBondContact SG-CG2 3.47Å
1311	F	36.8	Very low	36.3	Very low	131 Å²	131	127.6 Å²	127.6	58%	0.575	72%	0.718	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	136.3	171.5	-76.7	-90.7	0	0	0	111.1	K1304 E1309	K1304-F1311 PolarHBondContact N-O 3.48Å; K1304-F1311 VanDerWaalsContact N-O 3.15Å; K1304-F1311 PolarHBondContact O-N 3.15Å; E1309-F1311 HydrophobicContact CB-CD2 4.21Å; E1309-F1311 HydrophobicContact CB-CE2 3.77Å; E1309-F1311 WeakPolarHBondContact OE2-CE2 3.45Å
1312	T	39.6	Very low	36.3	Very low	93 Å²	93	129 Å²	129	57%	0.571	73%	0.729	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	171	40.9	0	0	0	0	109	I1301 T1303	I1301-T1312 HydrophobicContact CG2-CG2 3.74Å; T1303-T1312 HydrophobicContact CG2-CG2 3.44Å; T1303-T1312 VanDerWaalsContact CG2-CG2 3.44Å
1313	I	39.2	Very low	36.4	Very low	110 Å²	110	130.3 Å²	130.3	56%	0.564	73%	0.733	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.6	139	173.1	-58.8	178.3	0	0	0	107.4	E1315	I1313-E1315 HydrophobicContact CG2-CG 4.24Å
1314	T	37.6	Very low	36.3	Very low	95 Å²	95	132.4 Å²	132.4	58%	0.583	74%	0.742	S	S	*	*			trans	-127	118.7	177	41.7	0	0	0	0	109.3	I1301	I1301-T1314 HydrophobicContact CB-CG2 4.44Å; I1301-T1314 HydrophobicContact CG1-CG2 3.74Å
1315	E	37.4	Very low	36.4	Very low	168 Å²	168	130.9 Å²	130.9	79%	0.785	75%	0.746	S	S	*	*			trans	-118.6	133.3	175.8	-66.6	-171.6	156.3	0	0	109.7	I1313	I1313-E1315 HydrophobicContact CG2-CG 4.24Å
1316	N	30.3	Very low	36	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	75%	0.754	S	S	*	*			trans	-116.8	110.8	179.8	-94.3	-19.5	0	0	0	110.1
1317	P	35.7	Very low	35.9	Very low	125 Å²	125	134.8 Å²	134.8	81%	0.812	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-93.4	120.7	164.9	7.4	11.9	0	0	0	110.2
1318	T	35.4	Very low	35.8	Very low	141 Å²	141	132.3 Å²	132.3	87%	0.865	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-81.8	156.1	174.7	36.7	0	0	0	0	112.1
1319	Q	29.5	Very low	35.1	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69.5	148.9	-179.8	-60.7	173.7	-52.8	0	0	112.7
1320	L	30.5	Very low	35.3	Very low	167 Å²	167	137.3 Å²	137.3	87%	0.874	77%	0.766	S	S	*	*			trans	-155.9	135.9	141.5	-129.7	129.2	0	0	0	111.9
1321	S	31.1	Very low	34.8	Very low	190 Å²	190	140.9 Å²	140.9	100%	1.329	78%	0.781	S	S	*	*			trans	45.2	0	179.3	69.6	0	0	0	0	117.2

Retrieved 1,321 of 1,321 residues in 2085.5 ms (Link to these results)

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