A0A3Q0KUE6_SCHMA Loading...

SPRY domain containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,161 aa.

						>A0A3Q0KUE6_SCHMA|A0A3Q0KUE6
MSDKDFPLQKTLPISGLPNDHQNVQYLEDGTIEVTDTLSKEEYYKSLRRRCNTGNSQNTRQYGLSSQLSLETSQRGTLRSGFGKRKGTLHDFKPSGKEELCYVLMLEGVEKTYTIDKNAHGIHLFEKVCKQLDLQETEYFGLTYRTSLRVDNWLKLDKRIAKQLEKIPWKLEFRIRFYPPNIDIFKDDLTRYFLCLQLRQDIISGQIPCSHHTYVVLGAYVVQSDAGDYDPNTHIGTDYIANIPFAPQQLQTTKMLQQIVELHKLHKGQSLVQADRGFLENARRLSLYGVEFHRAKTIAGESICLGVYHGGILLYHGMLRVNRFLWPQIVKILYKSKNFIIVVRSMHSETLSKRGTLRRTLSPGGLKVSDKKFSGSDSIHDVTLTFQCTDPRLAKRLWDSCTSQHTFFRLRDTPGPQRSNLTTAFSTRKYHFTSKSFDAYSREPSTEWIPRQQPPIKRVQTQRKPIQYTKSPSSSPSNQQHQVSGSVAPVAYGEEPDQYYLMPGTPSPLPANSINVDVLQNLPPAYRKPGPIRVPLPEDHWQMSAADCTQGLGRNIDGTDIAAMPETEWQGCRTNWGLKGPGAYYYEACMLEEGQVRLGWSTNDASLILGTDSKGFGYGADKTGIGSADNPHPVGKFIYANNSIDYGMPIVPGDVVGCYLEINPSADKDNRLIDIHYSYNGQLLETPNFKLVETLTPDIALFPAVSLKNARVEVNFGDKPFNFPPKTTPLTNKHWVAVSYAPNSSIVYNRNVGWRVNPNDVTSSTNLLVSPNGRFVQAVENTGWQGFRVNKGIFGDRAYYYEVRIVEDSGLARIGWSFENGSLDLGVDRFGFGYGADRDGFGINGSQGKKLHGDIIENYGEAFRKDDVIGCFLDLGNGIIQWSKNNRLFGPAYEIDKKLLKSNEPIYPAASLVDTTLELNYGDLPFKYPPEDDWTPLFAASDEYVFESPKWPGSNTVKQNGHSTKHLATHNTKTEVYTENQKEISLNSVSDTYGHSTIMNNNFVSDSNNVKSSTPSKLEDVPVESIRVESPSISDQQEDEVRMFLETCEPITESHFDALYHTYTNHPSTERSESQVKTKPNGTYHRNSISNFQADITTPTCVNSELHQSPTTVIDSDHALEQAILQTTHLNPHTAVLTNTLDVYTNNSNNNNTMNGKHNNK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	34	Very low	232 Å²	232	146 Å²	146	100%	1.143	75%	0.75	S	S	*	*				0	82.6	0	-66.4	162.3	177.1	0	0	105.7
2	S	33.1	Very low	33.8	Very low	95 Å²	95	147.6 Å²	147.6	66%	0.664	76%	0.759	S	S	*	*				80.8	110.3	76.8	62.3	0	0	0	0	110.3
3	D	33.1	Very low	33.9	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	75%	0.752	S	S	*	*				70.3	134.5	70.3	-73.7	-47.1	0	0	0	112.1
4	K	36	Very low	33.6	Very low	155 Å²	155	144.6 Å²	144.6	67%	0.674	75%	0.754	S	S	*	*			cis	-172.1	-171	-10.9	-137.5	-170.1	-151.9	90.4	0	109.4
5	D	35.9	Very low	33.2	Very low	119 Å²	119	142.9 Å²	142.9	64%	0.636	76%	0.759	S	S	*	*			trans	68.2	163.3	157.8	-48.4	-37.7	0	0	0	117.8
6	F	34.4	Very low	32.8	Very low	195 Å²	195	138.4 Å²	138.4	86%	0.855	76%	0.757	S	S	*	*			cis	-131	167.4	10.9	-99.5	-90.5	0	0	0	114
7	P	39.4	Very low	32.6	Very low	93 Å²	93	140.4 Å²	140.4	60%	0.604	77%	0.766	S	S	*	*			trans	-135.4	-174.1	-163.6	44.6	-27.4	0	0	0	117.4
8	L	32	Very low	32.5	Very low	149 Å²	149	139 Å²	139	78%	0.78	77%	0.765	S	S	*	*			trans	71.4	155.7	163	-55.5	167.3	0	0	0	116.8
9	Q	31.1	Very low	32.3	Very low	132 Å²	132	140.4 Å²	140.4	62%	0.617	77%	0.771	S	S	*	*			cis	-156.9	160.5	-4.1	-135	179.4	45	0	0	113.2
10	K	29.9	Very low	32.4	Very low	167 Å²	167	139.8 Å²	139.8	73%	0.726	77%	0.767	S	S	*	*			trans	83.5	139.6	145.9	-85.8	168.6	178.8	142.7	0	124.4
11	T	28.9	Very low	32.3	Very low	142 Å²	142	139.2 Å²	139.2	87%	0.871	76%	0.758	S	S	*	*			trans	86.3	143.6	149.2	35.6	0	0	0	0	122.4
12	L	31.4	Very low	31.8	Very low	165 Å²	165	137.2 Å²	137.2	86%	0.864	75%	0.747	S	S	*	*			trans	-120.4	-177.9	-163.6	-87.1	163.7	0	0	0	109.4
13	P	35.1	Very low	31.6	Very low	102 Å²	102	137.8 Å²	137.8	66%	0.662	74%	0.742	S	S	*	*			cis	-138.1	-169.8	-15.4	26.2	-0.7	0	0	0	115.1
14	I	28.8	Very low	31.3	Very low	151 Å²	151	134.3 Å²	134.3	77%	0.774	73%	0.725	S	S	*	*			trans	83	125.5	157	-47.6	-168.9	0	0	0	119.3
15	S	27.9	Very low	30.9	Very low	119 Å²	119	134 Å²	134	83%	0.832	73%	0.726	S	S	*	*			trans	64.1	141	165.7	67.3	0	0	0	0	118.2
16	G	26.8	Very low	30.6	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	73%	0.731	S	S	*	*			cis	164.1	116	-11.3	0	0	0	0	0	113
17	L	29.4	Very low	30.5	Very low	173 Å²	173	132.7 Å²	132.7	91%	0.906	72%	0.715	S	S	*	*			trans	-175.3	126.9	168.2	-101.8	155.6	0	0	0	107.9
18	P	30.3	Very low	30.2	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	73%	0.734	S	S	*	*			trans	-94.2	168.3	-179.3	36.6	-34.2	0	0	0	113.5
19	N	29.2	Very low	30.1	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	73%	0.728	S	S	*	*			trans	-99.7	140.1	178	-76.5	-31.8	0	0	0	112.9
20	D	34.4	Very low	30	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	73%	0.729	S	S	*	*			trans	-105.4	161.7	174.5	-68.2	-16.9	0	0	0	110.8
21	H	31.1	Very low	29.8	Very low	127 Å²	127	129.2 Å²	129.2	59%	0.588	71%	0.714	S	S	*	*			cis	-163.2	154.7	-16.2	-102.5	8.6	0	0	0	104.5	N23	H21-N23 PolarHBondContact CE1-ND2 3.44Å; H21-N23 PolarHBondContact NE2-ND2 3.35Å
22	Q	30.2	Very low	29.6	Very low	191 Å²	191	126.3 Å²	126.3	89%	0.893	69%	0.693	S	S	*	*				-126	141.1	53.1	-66.4	-179.2	-23.1	0	0	112.9
23	N	29.4	Very low	29.3	Very low	107 Å²	107	125.3 Å²	125.3	57%	0.572	68%	0.684	S	S	*	*			trans	-71.2	147.7	-175.8	-69.3	-51.1	0	0	0	113.1	H21	H21-N23 PolarHBondContact CE1-ND2 3.44Å; H21-N23 PolarHBondContact NE2-ND2 3.35Å
24	V	26.6	Very low	29.2	Very low	54 Å²	54	125.7 Å²	125.7	33%	0.327	68%	0.684	S	S	.	*				-122.8	134.7	124.2	-171.5	0	0	0	0	107.2	Y26 I32 E33	V24-Y26 PolarHBondContact O-N 2.65Å; V24-I32 HydrophobicContact CB-CD1 4.1Å; V24-I32 HydrophobicContact CB-CG1 4.17Å; V24-I32 HydrophobicContact CG1-CB 4.35Å; V24-I32 HydrophobicContact CG1-CD1 4.41Å; V24-I32 HydrophobicContact CG1-CG1 3.94Å; V24-I32 HydrophobicContact CG1-CG2 4.15Å; V24-I32 WeakPolarHBondContact O-CD1 3.3Å; V24-E33 VanDerWaalsContact CG1-CA 3.44Å; V24-E33 HydrophobicContact CG1-CB 3.5Å
25	Q	26.6	Very low	29	Very low	149 Å²	149	124.3 Å²	124.3	70%	0.696	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-73.6	124.2	-175.7	-67	177.6	-82.8	0	0	110.8	L27 I32	Q25-L27 PolarHBondContact O-N 2.73Å; Q25-I32 VanDerWaalsContact C-CG1 3.49Å; Q25-I32 VanDerWaalsContact O-CG1 3.24Å; Q25-I32 WeakPolarHBondContact O-CG1 3.47Å
26	Y	30.1	Very low	29.1	Very low	187 Å²	187	124.1 Å²	124.1	73%	0.733	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-70.8	117.5	153.8	-72.5	-76.5	0	0	0	107.8	V24 T31 I32	V24-Y26 PolarHBondContact O-N 2.65Å; Y26-T31 CarbonylContact C-O 3.49Å; Y26-T31 WeakPolarHBondContact CA-O 3.31Å; Y26-I32 HydrophobicContact CD1-CB 4.25Å; Y26-I32 HydrophobicContact CD1-CD1 3.82Å; Y26-I32 HydrophobicContact CD1-CG1 3.72Å; Y26-I32 HydrophobicContact CD2-CD1 3.68Å; Y26-I32 HydrophobicContact CD2-CG1 4.21Å; Y26-I32 HydrophobicContact CE1-CB 4.28Å; Y26-I32 HydrophobicContact CE1-CD1 3.62Å; Y26-I32 HydrophobicContact CE1-CG1 3.93Å; Y26-I32 HydrophobicContact CE2-CD1 3.48Å; Y26-I32 VanDerWaalsContact CE2-CD1 3.48Å; Y26-I32 HydrophobicContact CE2-CG1 4.4Å; Y26-I32 HydrophobicContact CG-CD1 3.84Å; Y26-I32 HydrophobicContact CG-CG1 3.87Å; Y26-I32 VanDerWaalsContact CZ-CD1 3.44Å
27	L	32.6	Very low	29.3	Very low	98 Å²	98	127.3 Å²	127.3	51%	0.513	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-77.3	153.6	163.9	-64.9	177.2	0	0	0	109.2	Q25 D29 G30 T31	Q25-L27 PolarHBondContact O-N 2.73Å; L27-D29 WeakPolarHBondContact CB-OD1 3.47Å; L27-D29 PolarHBondContact O-N 2.66Å; L27-G30 PolarHBondContact O-N 3.45Å; L27-T31 PolarHBondContact N-O 3.1Å
28	E	31.6	Very low	29.5	Very low	215 Å²	215	125.4 Å²	125.4	100%	1.005	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	0.9	-176.2	-61.4	-178.8	129.4	0	0	113.8
29	D	31	Very low	29.9	Very low	122 Å²	122	122.3 Å²	122.3	65%	0.652	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-3.4	168.9	71.9	-1.7	0	0	0	114.2	L27 T31	L27-D29 WeakPolarHBondContact CB-OD1 3.47Å; L27-D29 PolarHBondContact O-N 2.66Å; D29-T31 WeakPolarHBondContact OD1-CB 3.37Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.35Å; D29-T31 PolarHBondContact OD1-N 3.31Å; D29-T31 PolarHBondContact OD1-OG1 2.75Å
30	G	28	Very low	30.1	Very low	62 Å²	62	119.3 Å²	119.3	64%	0.639	63%	0.628	S	S	*	*	S	Bend	trans	94.5	12.9	179.4	0	0	0	0	0	115.7	L27	L27-G30 PolarHBondContact O-N 3.45Å
31	T	25.2	Very low	30.2	Very low	69 Å²	69	115.9 Å²	115.9	42%	0.423	61%	0.608	S	S	.	*			trans	-97	144.4	179.4	57.9	0	0	0	0	114.4	Y26 L27 D29	Y26-T31 CarbonylContact C-O 3.49Å; Y26-T31 WeakPolarHBondContact CA-O 3.31Å; L27-T31 PolarHBondContact N-O 3.1Å; D29-T31 WeakPolarHBondContact OD1-CB 3.37Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.35Å; D29-T31 PolarHBondContact OD1-N 3.31Å; D29-T31 PolarHBondContact OD1-OG1 2.75Å
32	I	25.3	Very low	30.7	Very low	82 Å²	82	114.4 Å²	114.4	42%	0.421	60%	0.601	S	S	.	*			trans	-129.4	147.9	170.8	-115.9	-170.5	0	0	0	110	V24 Q25 Y26	V24-I32 HydrophobicContact CB-CD1 4.1Å; V24-I32 HydrophobicContact CB-CG1 4.17Å; V24-I32 HydrophobicContact CG1-CB 4.35Å; V24-I32 HydrophobicContact CG1-CD1 4.41Å; V24-I32 HydrophobicContact CG1-CG1 3.94Å; V24-I32 HydrophobicContact CG1-CG2 4.15Å; V24-I32 WeakPolarHBondContact O-CD1 3.3Å; Q25-I32 VanDerWaalsContact C-CG1 3.49Å; Q25-I32 VanDerWaalsContact O-CG1 3.24Å; Q25-I32 WeakPolarHBondContact O-CG1 3.47Å; Y26-I32 HydrophobicContact CD1-CB 4.25Å; Y26-I32 HydrophobicContact CD1-CD1 3.82Å; Y26-I32 HydrophobicContact CD1-CG1 3.72Å; Y26-I32 HydrophobicContact CD2-CD1 3.68Å; Y26-I32 HydrophobicContact CD2-CG1 4.21Å; Y26-I32 HydrophobicContact CE1-CB 4.28Å; Y26-I32 HydrophobicContact CE1-CD1 3.62Å; Y26-I32 HydrophobicContact CE1-CG1 3.93Å; Y26-I32 HydrophobicContact CE2-CD1 3.48Å; Y26-I32 VanDerWaalsContact CE2-CD1 3.48Å; Y26-I32 HydrophobicContact CE2-CG1 4.4Å; Y26-I32 HydrophobicContact CG-CD1 3.84Å; Y26-I32 HydrophobicContact CG-CG1 3.87Å; Y26-I32 VanDerWaalsContact CZ-CD1 3.44Å
33	E	25.5	Very low	31.1	Very low	143 Å²	143	107.7 Å²	107.7	67%	0.668	57%	0.568	S	S	*	*			trans	-85.9	-149.2	177.9	-142.7	-171.8	163.5	0	0	114.5	V24	V24-E33 VanDerWaalsContact CG1-CA 3.44Å; V24-E33 HydrophobicContact CG1-CB 3.5Å
34	V	32.1	Very low	31.3	Very low	110 Å²	110	105.8 Å²	105.8	67%	0.667	55%	0.553	S	S	*	*			trans	-140.6	145.3	-150	179.7	0	0	0	0	115.2
35	T	25.4	Very low	31.8	Very low	123 Å²	123	108.5 Å²	108.5	76%	0.755	56%	0.561	S	S	*	*			trans	-130.5	157.2	155.8	53.2	0	0	0	0	112.4
36	D	29.6	Very low	32.1	Very low	115 Å²	115	104.1 Å²	104.1	62%	0.615	55%	0.547	S	S	*	.			trans	-86.8	128.3	-178.2	-102	-48.8	0	0	0	111.9	K170	D36-K170 IonicContact OD1-NZ 2.86Å; D36-K170 PolarHBondContact OD1-NZ 2.81Å; D36-K170 IonicContact OD2-NZ 3.98Å; D36-K170 PolarHBondContact OD2-NZ 3.34Å
37	T	32	Very low	32.1	Very low	138 Å²	138	98.5 Å²	98.5	85%	0.847	53%	0.529	S	S	*	.			trans	-177	8.4	155.2	13.1	0	0	0	0	116.9
38	L	32.3	Very low	31.8	Very low	132 Å²	132	98.7 Å²	98.7	69%	0.691	52%	0.523	S	S	*	.			trans	-52.9	138.7	-169.8	-73.2	170.6	0	0	0	115.2	E42	L38-E42 HydrophobicContact CD2-CB 4.13Å
39	S	38.9	Very low	31.7	Very low	51 Å²	51	99 Å²	99	36%	0.357	52%	0.515	S	S	.	.			trans	-70.8	160.4	-179.2	68.9	0	0	0	0	113	E41 E42 Y43	S39-E41 PolarHBondContact O-N 2.58Å; S39-E42 WeakPolarHBondContact CB-OE2 3.32Å; S39-E42 PolarHBondContact N-OE2 3.23Å; S39-E42 PolarHBondContact O-N 2.85Å; S39-E42 VanDerWaalsContact O-N 3.1Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.23Å; S39-E42 PolarHBondContact OG-N 2.97Å; S39-E42 PolarHBondContact OG-OE2 2.92Å; S39-Y43 PolarHBondContact O-N 3.23Å
40	K	34.4	Very low	31.4	Very low	102 Å²	102	100.8 Å²	100.8	44%	0.443	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-32.6	178.8	-149.9	-179.9	-161.6	174.2	0	112.4	Y44 G108	K40-Y44 HydrophobicContact CD-CE2 4.42Å; K40-Y44 HydrophobicContact CG-CD2 4.38Å; K40-Y44 HydrophobicContact CG-CE2 3.94Å; K40-Y44 WeakPolarHBondContact O-CD2 3.42Å; K40-Y44 PolarHBondContact O-N 3.4Å; K40-G108 PolarHBondContact NZ-O 3.43Å
41	E	37.3	Very low	31.3	Very low	57 Å²	57	103 Å²	103	27%	0.266	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-44.6	174.8	-166.4	-175	141.3	0	0	111.8	S39 Y44 K45 Y468	S39-E41 PolarHBondContact O-N 2.58Å; E41-Y44 PolarHBondContact O-N 3.28Å; E41-K45 HydrophobicContact CG-CD 4.22Å; E41-K45 WeakPolarHBondContact O-CB 3.16Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.76Å; E41-K45 VanDerWaalsContact OE1-CE 3.31Å; E41-K45 WeakPolarHBondContact OE1-CE 3.48Å; E41-K45 IonicContact OE1-NZ 3.02Å; E41-K45 PolarHBondContact OE1-NZ 3.03Å; E41-Y468 HydrophobicContact CB-CE1 4.07Å; E41-Y468 HydrophobicContact CG-CD1 4.37Å; E41-Y468 HydrophobicContact CG-CE1 3.99Å; E41-Y468 VanDerWaalsContact OE2-CD1 3.3Å; E41-Y468 WeakPolarHBondContact OE2-CD1 3.48Å
42	E	40.3	Very low	31.4	Very low	95 Å²	95	106.2 Å²	106.2	44%	0.444	53%	0.531	S	S	.	.	H	α-helix	trans	-69.1	-33.2	176.8	-69.5	167.2	114.6	0	0	112.5	L38 S39 K45 S46	L38-E42 HydrophobicContact CD2-CB 4.13Å; S39-E42 WeakPolarHBondContact CB-OE2 3.32Å; S39-E42 PolarHBondContact N-OE2 3.23Å; S39-E42 PolarHBondContact O-N 2.85Å; S39-E42 VanDerWaalsContact O-N 3.1Å; S39-E42 VanDerWaalsContact OG-CG 3.31Å; S39-E42 WeakPolarHBondContact OG-CG 3.23Å; S39-E42 PolarHBondContact OG-N 2.97Å; S39-E42 PolarHBondContact OG-OE2 2.92Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 PolarHBondContact O-N 2.81Å; E42-S46 VanDerWaalsContact O-CB 3.29Å; E42-S46 WeakPolarHBondContact O-CB 3.19Å; E42-S46 PolarHBondContact O-N 3.22Å
43	Y	38	Very low	31.4	Very low	51 Å²	51	108.7 Å²	108.7	20%	0.2	55%	0.55	C	S	.	*	H	α-helix	trans	-57.4	-53.2	170.8	171.8	-93.7	0	0	0	110.9	S39 K45 S46 L47 E172	S39-Y43 PolarHBondContact O-N 3.23Å; Y43-K45 PolarHBondContact O-N 3.08Å; Y43-S46 WeakPolarHBondContact O-CA 3.29Å; Y43-S46 WeakPolarHBondContact O-CB 3.46Å; Y43-S46 PolarHBondContact O-N 3.14Å; Y43-S46 PolarHBondContact O-OG 2.86Å; Y43-L47 HydrophobicContact CD1-CD1 4.42Å; Y43-L47 HydrophobicContact CE1-CD1 3.81Å; Y43-L47 PolarHBondContact O-N 2.74Å; Y43-E172 PolarHBondContact OH-OE1 3.34Å; Y43-E172 PolarHBondContact OH-OE2 2.95Å
44	Y	35.6	Very low	31.5	Very low	66 Å²	66	105.3 Å²	105.3	26%	0.259	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-34	177.4	-69.4	-61.1	0	0	0	112.8	K40 E41 S46 L47 Q200	K40-Y44 HydrophobicContact CD-CE2 4.42Å; K40-Y44 HydrophobicContact CG-CD2 4.38Å; K40-Y44 HydrophobicContact CG-CE2 3.94Å; K40-Y44 WeakPolarHBondContact O-CD2 3.42Å; K40-Y44 PolarHBondContact O-N 3.4Å; E41-Y44 PolarHBondContact O-N 3.28Å; Y44-S46 PolarHBondContact O-N 3.11Å; Y44-L47 HydrophobicContact CD1-CD1 4.06Å; Y44-L47 PolarHBondContact O-N 2.89Å; Y44-Q200 PolarHBondContact OH-OE1 3.27Å; Y44-Q200 VanDerWaalsContact OH-OE1 3.05Å
45	K	36.6	Very low	31.1	Very low	112 Å²	112	107.9 Å²	107.9	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-20.8	168.6	-73.2	172.8	171.6	176.3	0	113.1	E41 E42 Y43	E41-K45 HydrophobicContact CG-CD 4.22Å; E41-K45 WeakPolarHBondContact O-CB 3.16Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.76Å; E41-K45 VanDerWaalsContact OE1-CE 3.31Å; E41-K45 WeakPolarHBondContact OE1-CE 3.48Å; E41-K45 IonicContact OE1-NZ 3.02Å; E41-K45 PolarHBondContact OE1-NZ 3.03Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 PolarHBondContact O-N 2.81Å; Y43-K45 PolarHBondContact O-N 3.08Å
46	S	32.8	Very low	31.2	Very low	57 Å²	57	107.9 Å²	107.9	40%	0.399	57%	0.569	S	S	.	*	H	α-helix	trans	-81.2	-22.5	175.9	85.3	0	0	0	0	113.4	E42 Y43 Y44	E42-S46 VanDerWaalsContact O-CB 3.29Å; E42-S46 WeakPolarHBondContact O-CB 3.19Å; E42-S46 PolarHBondContact O-N 3.22Å; Y43-S46 WeakPolarHBondContact O-CA 3.29Å; Y43-S46 WeakPolarHBondContact O-CB 3.46Å; Y43-S46 PolarHBondContact O-N 3.14Å; Y43-S46 PolarHBondContact O-OG 2.86Å; Y44-S46 PolarHBondContact O-N 3.11Å
47	L	29.8	Very low	31	Very low	68 Å²	68	110.1 Å²	110.1	36%	0.356	58%	0.576	S	S	.	*	S	Bend	trans	-76.6	-13.1	173.1	-67.5	167.9	0	0	0	112.3	Y43 Y44	Y43-L47 HydrophobicContact CD1-CD1 4.42Å; Y43-L47 HydrophobicContact CE1-CD1 3.81Å; Y43-L47 PolarHBondContact O-N 2.74Å; Y44-L47 HydrophobicContact CD1-CD1 4.06Å; Y44-L47 PolarHBondContact O-N 2.89Å
48	R	27.3	Very low	30.7	Very low	102 Å²	102	110 Å²	110	39%	0.385	57%	0.57	S	S	.	*			trans	-125.2	109.2	177.2	-74.4	177.3	158.8	-157.6	-2.8	112.8	S204 G205 P247	R48-S204 PolarHBondContact NE-O 2.8Å; R48-S204 VanDerWaalsContact NH2-C 3.32Å; R48-S204 PolarHBondContact NH2-O 3.43Å; R48-G205 VanDerWaalsContact NH2-CA 3.29Å; R48-P247 VanDerWaalsContact NH2-CG 3.3Å
49	R	29.2	Very low	30.4	Very low	223 Å²	223	109.4 Å²	109.4	84%	0.842	57%	0.572	S	S	*	*			trans	-135.4	129.6	150.6	-69.1	-165.1	-172.4	-165.8	4	111.2
50	R	24.6	Very low	29.6	Very low	159 Å²	159	117.4 Å²	117.4	60%	0.6	60%	0.595	S	S	*	*			trans	-57.2	139.3	155.5	-68.1	177.9	173.2	-179.9	-4.7	107.6	N52	R50-N52 PolarHBondContact O-N 3.17Å; R50-N52 VanDerWaalsContact O-N 3.09Å
51	C	25.7	Very low	29.1	Very low	109 Å²	109	118.5 Å²	118.5	74%	0.736	60%	0.601	S	S	*	*			trans	-78.9	82.6	159.5	-74.1	0	0	0	0	107.7	T53	C51-T53 PolarHBondContact O-N 3.49Å
52	N	26.3	Very low	28.4	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	63%	0.628	S	S	*	*			trans	-63.4	115	159.5	-88.2	39.7	0	0	0	107	R50 G54	R50-N52 PolarHBondContact O-N 3.17Å; R50-N52 VanDerWaalsContact O-N 3.09Å; N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 2.66Å
53	T	25.6	Very low	27.6	Very low	134 Å²	134	124.6 Å²	124.6	82%	0.822	64%	0.64	S	S	*	*			trans	-70.7	91.2	165.4	43	0	0	0	0	108	C51	C51-T53 PolarHBondContact O-N 3.49Å
54	G	27.1	Very low	27	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	68%	0.677	S	S	*	*			trans	-67.8	132.3	170.9	0	0	0	0	0	110.2	N52	N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 2.66Å
55	N	24.5	Very low	26.5	Very low	165 Å²	165	133.2 Å²	133.2	88%	0.882	70%	0.703	S	S	*	*			trans	-61.8	138.2	177.5	-75.4	-26	0	0	0	111.4
56	S	27.6	Very low	26.1	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	72%	0.718	S	S	*	*			trans	-144	141.5	141.7	-166.3	0	0	0	0	108.5
57	Q	25.6	Very low	25.8	Very low	163 Å²	163	139 Å²	139	76%	0.762	74%	0.738	S	S	*	*			trans	-86.9	165.8	-174.8	-66.2	179.8	-19.1	0	0	112
58	N	25.5	Very low	25.6	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	77%	0.765	S	S	*	*			trans	78.7	138.5	152.9	-63.3	-35.2	0	0	0	121
59	T	25.1	Very low	25.5	Very low	121 Å²	121	144 Å²	144	74%	0.742	78%	0.78	S	S	*	*			trans	67.2	100.3	145.3	46.4	0	0	0	0	121.8
60	R	22.9	Very low	25.2	Very low	219 Å²	219	140.3 Å²	140.3	83%	0.826	78%	0.775	S	S	*	*				61	109.9	114.3	-73.3	-172.3	-178.4	-178	1.6	120.7
61	Q	23.2	Very low	25.2	Very low	124 Å²	124	140.6 Å²	140.6	58%	0.579	78%	0.784	S	S	*	*				90	143.7	109	-152.1	175.7	6.4	0	0	119.6
62	Y	22.8	Very low	25	Very low	211 Å²	211	140.4 Å²	140.4	83%	0.827	78%	0.779	S	S	*	*			trans	66.1	161.1	-178.6	-45.4	-68.2	0	0	0	113.7
63	G	24.3	Very low	25	Very low	69 Å²	69	138.9 Å²	138.9	71%	0.711	78%	0.779	S	S	*	*			cis	147.1	149.5	12.6	0	0	0	0	0	106
64	L	25	Very low	25.1	Very low	183 Å²	183	141.2 Å²	141.2	96%	0.958	78%	0.781	S	S	*	*			cis	-150.7	-174.5	13.4	-92.4	164.4	0	0	0	110.4
65	S	25.5	Very low	24.9	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	79%	0.79	S	S	*	*			trans	-110.1	152.6	-176.7	-57.3	0	0	0	0	114.7
66	S	27.8	Very low	25.1	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	79%	0.785	S	S	*	*			trans	-150.1	113.6	145.2	50.8	0	0	0	0	107.7
67	Q	25.8	Very low	25	Very low	177 Å²	177	145.5 Å²	145.5	83%	0.827	78%	0.781	S	S	*	*				53	107.7	71	-71.6	-151.5	12.6	0	0	115.1
68	L	26	Very low	25	Very low	177 Å²	177	145.2 Å²	145.2	93%	0.927	78%	0.784	S	S	*	*				-151.9	136.6	128.6	-111.1	169.4	0	0	0	108.7
69	S	24.5	Very low	25.1	Very low	98 Å²	98	150 Å²	150	69%	0.685	79%	0.792	S	S	*	*			trans	-116.9	155.3	-179.8	-60.3	0	0	0	0	110.4
70	L	24.2	Very low	25.2	Very low	144 Å²	144	150.2 Å²	150.2	75%	0.754	80%	0.798	S	S	*	*			trans	174.8	125.1	132.6	-109	68.3	0	0	0	106.3
71	E	23.4	Very low	25.5	Very low	165 Å²	165	143.1 Å²	143.1	77%	0.771	79%	0.794	S	S	*	*				66.3	153.3	88.6	-66	-166.3	159.9	0	0	115.8
72	T	23.2	Very low	25.7	Very low	106 Å²	106	147.7 Å²	147.7	65%	0.65	81%	0.812	S	S	*	*			cis	-169	134.2	-30.2	-83.5	0	0	0	0	106.8
73	S	24.6	Very low	26	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	81%	0.808	S	S	*	*			trans	62	167.2	170	74.7	0	0	0	0	115.4
74	Q	27.6	Very low	26.2	Very low	184 Å²	184	147.9 Å²	147.9	86%	0.86	82%	0.818	S	S	*	*			cis	-140.8	-176.5	23.6	-67.7	-173	-4.2	0	0	113.4
75	R	24.4	Very low	26.4	Very low	246 Å²	246	150.8 Å²	150.8	93%	0.928	82%	0.816	S	S	*	*			trans	-78	148.3	172.2	-62	171.5	174.4	172.2	-3.2	111.4
76	G	27.1	Very low	26.5	Very low	76 Å²	76	155.9 Å²	155.9	78%	0.784	82%	0.824	S	S	*	*			trans	-151.4	138.8	165.9	0	0	0	0	0	109.9
77	T	26.6	Very low	26.5	Very low	127 Å²	127	154 Å²	154	78%	0.779	82%	0.823	S	S	*	*			trans	-136.5	150.1	-158.5	-10.8	0	0	0	0	114.8
78	L	26.2	Very low	26.9	Very low	157 Å²	157	152 Å²	152	82%	0.822	82%	0.823	S	S	*	*			trans	77.4	156.2	155.5	-65.7	169.1	0	0	0	120.7
79	R	27	Very low	27.9	Very low	235 Å²	235	150 Å²	150	89%	0.887	81%	0.813	S	S	*	*			trans	81	103.8	170.2	-52	-166.6	177.7	-148.9	-3	114.6
80	S	26.1	Very low	29.4	Very low	124 Å²	124	148.5 Å²	148.5	87%	0.867	80%	0.795	S	S	*	*				83.6	123.5	55	-170.3	0	0	0	0	112.3
81	G	29.7	Very low	31.2	Very low	71 Å²	71	147.5 Å²	147.5	73%	0.732	79%	0.79	S	S	*	*			trans	172.2	79.8	-174.8	0	0	0	0	0	111
82	F	27	Very low	33.6	Very low	220 Å²	220	142.2 Å²	142.2	97%	0.965	76%	0.764	S	S	*	*			trans	-69.1	132.1	172.7	-94.8	-102.8	0	0	0	110.3
83	G	29.7	Very low	36.2	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	77%	0.77	S	S	*	*			trans	-151.3	96.3	177	0	0	0	0	0	112	R85	G83-R85 PolarHBondContact O-N 2.68Å
84	K	27.9	Very low	38.6	Very low	211 Å²	211	145 Å²	145	92%	0.917	76%	0.764	S	S	*	*			trans	-68.4	118.7	175.5	-67.1	176.1	179	176.1	0	110.4
85	R	30.8	Very low	41	Very low	245 Å²	245	138.5 Å²	138.5	93%	0.925	74%	0.739	S	S	*	*			trans	-141.9	116.4	150	-70.8	-164.7	176.5	179.6	-0.7	110.2	G83	G83-R85 PolarHBondContact O-N 2.68Å
86	K	25.9	Very low	43.5	Very low	222 Å²	222	130.3 Å²	130.3	97%	0.965	73%	0.73	S	S	*	*			trans	-68.2	136.5	152.5	-72.6	-176.6	171.5	-171.2	0	106.5
87	G	28.8	Very low	46	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	72%	0.722	S	S	*	*			trans	-162.6	117.7	-179.6	0	0	0	0	0	111.3
88	T	34.1	Very low	48.8	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	71%	0.714	S	S	*	*			trans	-77.9	174.9	166.4	45.5	0	0	0	0	110.9
89	L	47.1	Very low	51.7	Low	136 Å²	136	127.5 Å²	127.5	71%	0.712	68%	0.682	S	S	*	*			trans	74	128.7	172.4	-103.9	55.8	0	0	0	116.6	D91	L89-D91 PolarHBondContact O-N 2.65Å; L89-D91 VanDerWaalsContact O-N 3.16Å
90	H	56.5	Low	54.5	Low	66 Å²	66	120.1 Å²	120.1	31%	0.306	66%	0.659	S	S	.	*			trans	-85.1	33.6	177.5	-109.2	-75	0	0	0	111.9	H120 I122 H123	H90-H120 AromaticContact ND1-ND1 3.8Å; H90-H120 PolarHBondContact O-CE1 3.39Å; H90-H120 VanDerWaalsContact O-CE1 3.3Å; H90-H120 PolarHBondContact O-ND1 3.07Å; H90-I122 HydrophobicContact CB-CG2 3.98Å; H90-H123 PolarHBondContact O-CE1 3Å; H90-H123 PolarHBondContact O-NE2 2.97Å
91	D	62.4	Low	57.5	Low	122 Å²	122	114.2 Å²	114.2	65%	0.652	62%	0.618	S	S	*	*			trans	-55.3	140.5	-170.1	-74.4	-16.2	0	0	0	112.8	L89	L89-D91 PolarHBondContact O-N 2.65Å; L89-D91 VanDerWaalsContact O-N 3.16Å
92	F	73.4	Confident	60.4	Low	54 Å²	54	113.9 Å²	113.9	24%	0.237	60%	0.595	C	S	.	*			trans	-129.6	142.6	178.6	70.1	-77.2	0	0	0	109.2	P94 D116 N118 A119 H123	F92-P94 VanDerWaalsContact O-CD 3.29Å; F92-P94 WeakPolarHBondContact O-CD 3.26Å; F92-D116 HydrophobicContact CE2-CB 3.81Å; F92-D116 WeakPolarHBondContact CE2-OD1 3.14Å; F92-D116 HydrophobicContact CZ-CB 4.17Å; F92-N118 HydrophobicContact CD2-CB 3.6Å; F92-N118 HydrophobicContact CE2-CB 4.21Å; F92-A119 HydrophobicContact CE1-CB 4.17Å; F92-A119 HydrophobicContact CE2-CB 4.16Å; F92-A119 HydrophobicContact CZ-CB 3.86Å; F92-H123 AromaticContact CD1-CE1 3.29Å; F92-H123 WeakPolarHBondContact CD1-CE1 3.4Å; F92-H123 AromaticContact CD1-ND1 3.46Å; F92-H123 WeakPolarHBondContact CD1-ND1 3.2Å; F92-H123 AromaticContact CE1-CE1 3.62Å; F92-H123 AromaticContact CE1-ND1 3.33Å; F92-H123 VanDerWaalsContact CE1-ND1 3.33Å; F92-H123 WeakPolarHBondContact CE1-ND1 3.34Å
93	K	76.4	Confident	63.4	Low	178 Å²	178	103.4 Å²	103.4	77%	0.774	55%	0.549	S	S	*	.			trans	-68.6	120.6	169.3	-173.2	175.2	-178.5	178.1	0	108.4	S95 N118	K93-S95 PolarHBondContact O-N 2.92Å; K93-N118 WeakPolarHBondContact O-CB 3.38Å; K93-N118 PolarHBondContact O-ND2 3.39Å
94	P	75.5	Confident	66.2	Low	90 Å²	90	101.6 Å²	101.6	58%	0.584	52%	0.522	S	S	*	.			trans	-55.4	141	177.5	-26.1	35.8	0	0	0	111.4	F92 G96	F92-P94 VanDerWaalsContact O-CD 3.29Å; F92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-G96 VanDerWaalsContact C-N 3.32Å
95	S	79.1	Confident	69.2	Low	47 Å²	47	91.6 Å²	91.6	33%	0.329	48%	0.479	S	S	.	.			trans	-77.3	-18.3	171.9	-168.6	0	0	0	0	112.7	K93 K97 D116 N118	K93-S95 PolarHBondContact O-N 2.92Å; S95-K97 PolarHBondContact O-N 3.31Å; S95-D116 WeakPolarHBondContact CA-OD2 3.29Å; S95-D116 VanDerWaalsContact CB-OD1 3.26Å; S95-D116 WeakPolarHBondContact CB-OD1 3.17Å; S95-D116 WeakPolarHBondContact CB-OD2 3.37Å; S95-D116 PolarHBondContact N-OD1 3.21Å; S95-D116 PolarHBondContact N-OD2 3.09Å; S95-N118 PolarHBondContact N-ND2 2.88Å
96	G	75.4	Confident	71.8	Confident	73 Å²	73	80.2 Å²	80.2	75%	0.753	44%	0.437	S	S	*	.	S	Bend	trans	68	23.1	-170.5	0	0	0	0	0	112.4	P94 D116	P94-G96 VanDerWaalsContact C-N 3.32Å; G96-D116 PolarHBondContact N-OD2 2.98Å
97	K	81.5	Confident	74.3	Confident	139 Å²	139	71.8 Å²	71.8	60%	0.604	40%	0.4	S	S	*	.			trans	-140.3	111.8	178.2	-68.4	-165.9	175.8	-167.8	0	108.3	S95 D116 K117	S95-K97 PolarHBondContact O-N 3.31Å; K97-D116 PolarHBondContact N-OD2 3.44Å; K97-D116 WeakPolarHBondContact O-CA 3.2Å; K97-K117 PolarHBondContact O-N 3.22Å
98	E	83.9	Confident	76.5	Confident	131 Å²	131	68.8 Å²	68.8	61%	0.612	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.8	172.2	-58.8	-162.6	167.5	0	0	110.5	T114 I115	E98-T114 WeakPolarHBondContact OE2-CB 3.46Å; E98-T114 PolarHBondContact OE2-OG1 3.22Å; E98-I115 CarbonylContact C-O 3.55Å; E98-I115 WeakPolarHBondContact CA-O 3.34Å
99	E	87	Confident	78.8	Confident	31 Å²	31	64.8 Å²	64.8	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.2	176.5	-58.1	-73.3	-176.1	0	0	108.9	I115 K117 W169	E99-I115 PolarHBondContact N-O 2.97Å; E99-I115 PolarHBondContact O-N 2.93Å; E99-K117 HydrophobicContact CG-CB 3.95Å; E99-K117 HydrophobicContact CG-CG 3.96Å; E99-K117 WeakPolarHBondContact OE1-CD 3.35Å; E99-K117 WeakPolarHBondContact OE1-CE 3.35Å; E99-K117 IonicContact OE1-NZ 3.27Å; E99-K117 PolarHBondContact OE1-NZ 2.86Å; E99-W169 HydrophobicContact CB-CE3 4.07Å; E99-W169 HydrophobicContact CB-CH2 4.04Å; E99-W169 HydrophobicContact CB-CZ3 3.74Å; E99-W169 HydrophobicContact CG-CH2 3.87Å; E99-W169 HydrophobicContact CG-CZ2 4.4Å; E99-W169 HydrophobicContact CG-CZ3 4.09Å
100	L	87.2	Confident	80.7	Confident	80 Å²	80	63.3 Å²	63.3	42%	0.419	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.8	178.6	-70.7	169.9	0	0	0	111.6	Y102 T112 T114 W169	L100-Y102 HydrophobicContact CB-CE2 3.88Å; L100-T112 HydrophobicContact CD2-CG2 3.94Å; L100-T114 HydrophobicContact CD2-CG2 3.96Å; L100-W169 PolarHBondContact O-N 2.84Å; L100-W169 VanDerWaalsContact O-N 3.15Å
101	C	88.5	Confident	82.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137	167.9	-53.3	0	0	0	0	109.6	T112 Y113 I115 L124 W169	C101-T112 CarbonylContact O-C 3.58Å; C101-T112 WeakPolarHBondContact O-CA 3.02Å; C101-Y113 WeakPolarHBondContact CB-O 3.43Å; C101-Y113 PolarHBondContact N-O 3.19Å; C101-Y113 PolarHBondContact O-N 3.05Å; C101-I115 WeakPolarHBondContact SG-CG2 3.36Å; C101-L124 HydrophobicContact CB-CD1 4.08Å; C101-L124 HydrophobicContact CB-CD2 4.18Å; C101-W169 CarbonylContact C-O 3.53Å; C101-W169 WeakPolarHBondContact CA-O 3.42Å
102	Y	90.6	Very high	83.6	Confident	64 Å²	64	60.4 Å²	60.4	25%	0.251	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.1	171.3	-66.7	-104.1	0	0	0	107	L100 E110 T112 P168 W169 L171	L100-Y102 HydrophobicContact CB-CE2 3.88Å; Y102-E110 HydrophobicContact CD1-CG 4.23Å; Y102-E110 WeakPolarHBondContact CD1-OE1 3.34Å; Y102-T112 HydrophobicContact CD1-CG2 4.33Å; Y102-T112 HydrophobicContact CE1-CG2 4.09Å; Y102-T112 HydrophobicContact CE2-CG2 4.45Å; Y102-P168 HydrophobicContact CD2-CB 3.72Å; Y102-P168 HydrophobicContact CD2-CG 4.49Å; Y102-P168 HydrophobicContact CE2-CB 3.53Å; Y102-P168 HydrophobicContact CE2-CG 4.27Å; Y102-W169 PolarHBondContact N-O 3.48Å; Y102-L171 PolarHBondContact O-N 2.75Å
103	V	91	Very high	84.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.5	-178.5	-174.4	0	0	0	0	108.8	M105 K111 Y113 V128 L142 L171 F173	V103-M105 HydrophobicContact CB-SD 4.21Å; V103-M105 HydrophobicContact CG1-SD 3.71Å; V103-M105 PolarHBondContact O-N 2.86Å; V103-K111 PolarHBondContact N-O 2.81Å; V103-K111 PolarHBondContact O-N 2.84Å; V103-Y113 HydrophobicContact CB-CD2 4.2Å; V103-Y113 HydrophobicContact CB-CE2 3.96Å; V103-Y113 HydrophobicContact CG2-CD2 3.73Å; V103-Y113 HydrophobicContact CG2-CE2 3.92Å; V103-V128 HydrophobicContact CG1-CG2 4.5Å; V103-V128 HydrophobicContact CG2-CG2 4.27Å; V103-L142 HydrophobicContact CG1-CD2 3.59Å; V103-L142 HydrophobicContact CG2-CD2 4.4Å; V103-L171 WeakPolarHBondContact CA-O 3.45Å; V103-F173 HydrophobicContact CG1-CB 3.98Å
104	L	87.8	Confident	85.1	Confident	34 Å²	34	52.3 Å²	52.3	18%	0.178	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.6	169.7	-176.6	63.1	0	0	0	109.2	L171 E172 F173	L104-L171 PolarHBondContact N-O 2.84Å; L104-E172 HydrophobicContact CB-CB 4.33Å; L104-E172 HydrophobicContact CB-CG 4.1Å; L104-E172 HydrophobicContact CD2-CG 4.38Å; L104-E172 CarbonylContact O-C 3.58Å; L104-E172 WeakPolarHBondContact O-CA 3.5Å; L104-F173 PolarHBondContact O-N 3.23Å
105	M	89.6	Confident	85.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.267	C	S	.	.			trans	-88.4	162.2	179.1	-51.7	-49.6	-54.7	0	0	111.7	V103 E107 G108 V109 K111 V128 L132 F173	V103-M105 HydrophobicContact CB-SD 4.21Å; V103-M105 HydrophobicContact CG1-SD 3.71Å; V103-M105 PolarHBondContact O-N 2.86Å; M105-E107 PolarHBondContact O-N 2.79Å; M105-E107 VanDerWaalsContact O-N 3.13Å; M105-G108 WeakPolarHBondContact O-CA 3.44Å; M105-G108 PolarHBondContact O-N 3.15Å; M105-V109 WeakPolarHBondContact CB-O 3.47Å; M105-V109 WeakPolarHBondContact CG-O 3.27Å; M105-V109 PolarHBondContact N-O 2.94Å; M105-K111 HydrophobicContact CG-CB 4.3Å; M105-K111 HydrophobicContact CG-CD 3.54Å; M105-K111 HydrophobicContact CG-CG 3.8Å; M105-K111 HydrophobicContact SD-CB 4.36Å; M105-K111 HydrophobicContact SD-CD 4.06Å; M105-K111 HydrophobicContact SD-CG 4.41Å; M105-V128 HydrophobicContact CE-CG1 3.79Å; M105-V128 HydrophobicContact SD-CG1 4.47Å; M105-L132 HydrophobicContact CE-CD1 3.79Å; M105-L132 HydrophobicContact CE-CD2 4.16Å; M105-L132 HydrophobicContact CE-CG 4.36Å; M105-F173 HydrophobicContact CE-CB 3.58Å; M105-F173 HydrophobicContact CE-CD1 3.7Å; M105-F173 HydrophobicContact CE-CD2 4.29Å; M105-F173 HydrophobicContact CE-CE1 4.44Å; M105-F173 HydrophobicContact CE-CG 3.6Å; M105-F173 HydrophobicContact SD-CB 4.14Å
106	L	85.9	Confident	86.2	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.3	176.6	-69.7	169.8	0	0	0	114.1	G108 F140 F173 I175 F193 L196 Q197 Q200	L106-G108 PolarHBondContact O-N 3.16Å; L106-F140 HydrophobicContact CD1-CE1 4.37Å; L106-F173 HydrophobicContact CD1-CD1 4.02Å; L106-F173 HydrophobicContact CD1-CE1 4.16Å; L106-F173 WeakPolarHBondContact CD2-O 3.31Å; L106-F173 HydrophobicContact CG-CD1 4.17Å; L106-F173 WeakPolarHBondContact CG-O 3.32Å; L106-I175 HydrophobicContact CD1-CG1 4.41Å; L106-F193 HydrophobicContact CB-CD1 4.16Å; L106-F193 HydrophobicContact CD1-CB 3.75Å; L106-F193 HydrophobicContact CD1-CD1 3.97Å; L106-F193 HydrophobicContact CD1-CG 4.09Å; L106-L196 HydrophobicContact CB-CB 4.06Å; L106-L196 HydrophobicContact CB-CD1 4.23Å; L106-Q197 HydrophobicContact CD2-CB 3.97Å; L106-Q200 PolarHBondContact O-NE2 3.12Å
107	E	79.1	Confident	86.7	Confident	44 Å²	44	47.3 Å²	47.3	21%	0.206	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5	170.7	-57.5	167	132.7	0	0	112.7	M105 V109 K111 L196 V459	M105-E107 PolarHBondContact O-N 2.79Å; M105-E107 VanDerWaalsContact O-N 3.13Å; E107-V109 VanDerWaalsContact C-N 3.29Å; E107-V109 HydrophobicContact CB-CG2 4.3Å; E107-V109 PolarHBondContact O-N 3.02Å; E107-K111 IonicContact OE2-NZ 2.57Å; E107-K111 PolarHBondContact OE2-NZ 3.34Å; E107-L196 HydrophobicContact CG-CD1 3.92Å; E107-V459 HydrophobicContact CB-CG2 4.13Å; E107-V459 HydrophobicContact CG-CG2 4.2Å
108	G	74.3	Confident	87	Confident	13 Å²	13	42.5 Å²	42.5	13%	0.134	22%	0.216	C	C	.	.	S	Bend	trans	71.6	20.6	-174.4	0	0	0	0	0	114	K40 M105 L106	K40-G108 PolarHBondContact NZ-O 3.43Å; M105-G108 WeakPolarHBondContact O-CA 3.44Å; M105-G108 PolarHBondContact O-N 3.15Å; L106-G108 PolarHBondContact O-N 3.16Å
109	V	82.7	Confident	87.2	Confident	51 Å²	51	36.3 Å²	36.3	31%	0.309	19%	0.187	S	C	.	.			trans	-105.7	132.6	176.5	179.3	0	0	0	0	108.9	M105 E107	M105-V109 WeakPolarHBondContact CB-O 3.47Å; M105-V109 WeakPolarHBondContact CG-O 3.27Å; M105-V109 PolarHBondContact N-O 2.94Å; E107-V109 VanDerWaalsContact C-N 3.29Å; E107-V109 HydrophobicContact CB-CG2 4.3Å; E107-V109 PolarHBondContact O-N 3.02Å
110	E	85.9	Confident	87.4	Confident	105 Å²	105	36.1 Å²	36.1	49%	0.491	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.7	173.6	-167.6	173.8	67	0	0	110.4	Y102	Y102-E110 HydrophobicContact CD1-CG 4.23Å; Y102-E110 WeakPolarHBondContact CD1-OE1 3.34Å
111	K	88.6	Confident	87.6	Confident	45 Å²	45	32.3 Å²	32.3	20%	0.196	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129	177.1	-67.7	179.6	-169.4	159.3	0	109.4	V103 M105 E107 Y113	V103-K111 PolarHBondContact N-O 2.81Å; V103-K111 PolarHBondContact O-N 2.84Å; M105-K111 HydrophobicContact CG-CB 4.3Å; M105-K111 HydrophobicContact CG-CD 3.54Å; M105-K111 HydrophobicContact CG-CG 3.8Å; M105-K111 HydrophobicContact SD-CB 4.36Å; M105-K111 HydrophobicContact SD-CD 4.06Å; M105-K111 HydrophobicContact SD-CG 4.41Å; E107-K111 IonicContact OE2-NZ 2.57Å; E107-K111 PolarHBondContact OE2-NZ 3.34Å; K111-Y113 HydrophobicContact CB-CE2 3.66Å; K111-Y113 WeakPolarHBondContact O-CD2 3.47Å; K111-Y113 WeakPolarHBondContact O-CE2 3.44Å
112	T	91.6	Very high	87.8	Confident	81 Å²	81	34.2 Å²	34.2	50%	0.497	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.8	-178.3	-42.8	0	0	0	0	111.2	L100 C101 Y102	L100-T112 HydrophobicContact CD2-CG2 3.94Å; C101-T112 CarbonylContact O-C 3.58Å; C101-T112 WeakPolarHBondContact O-CA 3.02Å; Y102-T112 HydrophobicContact CD1-CG2 4.33Å; Y102-T112 HydrophobicContact CE1-CG2 4.09Å; Y102-T112 HydrophobicContact CE2-CG2 4.45Å
113	Y	91	Very high	87.8	Confident	6 Å²	6	33 Å²	33	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.3	179	-61.8	-93.4	0	0	0	110.2	C101 V103 K111 L124 K127 V128 Q131	C101-Y113 WeakPolarHBondContact CB-O 3.43Å; C101-Y113 PolarHBondContact N-O 3.19Å; C101-Y113 PolarHBondContact O-N 3.05Å; V103-Y113 HydrophobicContact CB-CD2 4.2Å; V103-Y113 HydrophobicContact CB-CE2 3.96Å; V103-Y113 HydrophobicContact CG2-CD2 3.73Å; V103-Y113 HydrophobicContact CG2-CE2 3.92Å; K111-Y113 HydrophobicContact CB-CE2 3.66Å; K111-Y113 WeakPolarHBondContact O-CD2 3.47Å; K111-Y113 WeakPolarHBondContact O-CE2 3.44Å; Y113-L124 HydrophobicContact CD2-CD1 4.46Å; Y113-L124 HydrophobicContact CG-CD1 4.11Å; Y113-K127 HydrophobicContact CD1-CD 4.05Å; Y113-K127 HydrophobicContact CD1-CG 3.9Å; Y113-K127 HydrophobicContact CE1-CG 4.3Å; Y113-V128 HydrophobicContact CD2-CG2 4.3Å; Y113-V128 HydrophobicContact CE1-CG2 4.07Å; Y113-V128 HydrophobicContact CE2-CG2 3.77Å; Y113-Q131 PolarHBondContact OH-OE1 2.81Å
114	T	90.3	Very high	87.9	Confident	57 Å²	57	33 Å²	33	35%	0.35	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.1	162.5	69.6	0	0	0	0	110.1	E98 L100 K127	E98-T114 WeakPolarHBondContact OE2-CB 3.46Å; E98-T114 PolarHBondContact OE2-OG1 3.22Å; L100-T114 HydrophobicContact CD2-CG2 3.96Å; T114-K127 PolarHBondContact O-NZ 2.97Å
115	I	89	Confident	88.2	Confident	14 Å²	14	32 Å²	32	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.6	170.7	-154.6	170.4	0	0	0	111.2	E98 E99 C101 A119 H123 L124 I160 W169	E98-I115 CarbonylContact C-O 3.55Å; E98-I115 WeakPolarHBondContact CA-O 3.34Å; E99-I115 PolarHBondContact N-O 2.97Å; E99-I115 PolarHBondContact O-N 2.93Å; C101-I115 WeakPolarHBondContact SG-CG2 3.36Å; I115-A119 HydrophobicContact CD1-CB 3.68Å; I115-A119 HydrophobicContact CG1-CB 3.69Å; I115-H123 HydrophobicContact CD1-CB 4.12Å; I115-L124 HydrophobicContact CD1-CB 3.71Å; I115-I160 HydrophobicContact CD1-CD1 4.15Å; I115-I160 HydrophobicContact CG2-CD1 4.23Å; I115-W169 HydrophobicContact CG2-CE3 4.4Å; I115-W169 HydrophobicContact CG2-CZ3 4.01Å
116	D	89.4	Confident	88.4	Confident	18 Å²	18	36.8 Å²	36.8	10%	0.096	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139.1	177.7	-178.9	-80.4	0	0	0	112.2	F92 S95 G96 K97 N118 A119	F92-D116 HydrophobicContact CE2-CB 3.81Å; F92-D116 WeakPolarHBondContact CE2-OD1 3.14Å; F92-D116 HydrophobicContact CZ-CB 4.17Å; S95-D116 WeakPolarHBondContact CA-OD2 3.29Å; S95-D116 VanDerWaalsContact CB-OD1 3.26Å; S95-D116 WeakPolarHBondContact CB-OD1 3.17Å; S95-D116 WeakPolarHBondContact CB-OD2 3.37Å; S95-D116 PolarHBondContact N-OD1 3.21Å; S95-D116 PolarHBondContact N-OD2 3.09Å; G96-D116 PolarHBondContact N-OD2 2.98Å; K97-D116 PolarHBondContact N-OD2 3.44Å; K97-D116 WeakPolarHBondContact O-CA 3.2Å; D116-N118 PolarHBondContact O-N 2.84Å; D116-N118 WeakPolarHBondContact OD1-CB 3.47Å; D116-N118 PolarHBondContact OD1-N 3.45Å; D116-A119 WeakPolarHBondContact O-CB 3.12Å; D116-A119 PolarHBondContact O-N 2.84Å
117	K	85.9	Confident	88.7	Confident	73 Å²	73	40.8 Å²	40.8	32%	0.317	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.1	-176.2	-161.7	-177.8	-170.9	93.4	0	114.5	K97 E99 A161 W169	K97-K117 PolarHBondContact O-N 3.22Å; E99-K117 HydrophobicContact CG-CB 3.95Å; E99-K117 HydrophobicContact CG-CG 3.96Å; E99-K117 WeakPolarHBondContact OE1-CD 3.35Å; E99-K117 WeakPolarHBondContact OE1-CE 3.35Å; E99-K117 IonicContact OE1-NZ 3.27Å; E99-K117 PolarHBondContact OE1-NZ 2.86Å; K117-A161 HydrophobicContact CG-CB 4.36Å; K117-W169 HydrophobicContact CG-CH2 4.45Å
118	N	87	Confident	89.3	Confident	37 Å²	37	38.7 Å²	38.7	20%	0.198	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.9	177.2	-78.8	-27.2	0	0	0	114.5	F92 K93 S95 D116 R159	F92-N118 HydrophobicContact CD2-CB 3.6Å; F92-N118 HydrophobicContact CE2-CB 4.21Å; K93-N118 WeakPolarHBondContact O-CB 3.38Å; K93-N118 PolarHBondContact O-ND2 3.39Å; S95-N118 PolarHBondContact N-ND2 2.88Å; D116-N118 PolarHBondContact O-N 2.84Å; D116-N118 WeakPolarHBondContact OD1-CB 3.47Å; D116-N118 PolarHBondContact OD1-N 3.45Å; N118-R159 VanDerWaalsContact O-CD 3.3Å; N118-R159 WeakPolarHBondContact O-CD 3.48Å; N118-R159 WeakPolarHBondContact O-CG 3.4Å; N118-R159 PolarHBondContact O-NE 2.77Å; N118-R159 PolarHBondContact OD1-NH1 2.86Å
119	A	88.5	Confident	90.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.192	C	C	.	.			trans	-63.6	140.2	-175.1	0	0	0	0	0	113.3	F92 I115 D116 H123 R159 I160	F92-A119 HydrophobicContact CE1-CB 4.17Å; F92-A119 HydrophobicContact CE2-CB 4.16Å; F92-A119 HydrophobicContact CZ-CB 3.86Å; I115-A119 HydrophobicContact CD1-CB 3.68Å; I115-A119 HydrophobicContact CG1-CB 3.69Å; D116-A119 WeakPolarHBondContact O-CB 3.12Å; D116-A119 PolarHBondContact O-N 2.84Å; A119-H123 HydrophobicContact CB-CB 4.5Å; A119-R159 VanDerWaalsContact O-CA 3.29Å; A119-R159 WeakPolarHBondContact O-CA 3.22Å; A119-I160 PolarHBondContact O-N 2.65Å; A119-I160 VanDerWaalsContact O-N 3.13Å
120	H	91.9	Very high	90.5	Very high	27 Å²	27	44.6 Å²	44.6	13%	0.125	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-73.6	152.6	167.3	-55.4	129.1	0	0	0	110.6	H90 I122 H123 K158	H90-H120 AromaticContact ND1-ND1 3.8Å; H90-H120 PolarHBondContact O-CE1 3.39Å; H90-H120 VanDerWaalsContact O-CE1 3.3Å; H90-H120 PolarHBondContact O-ND1 3.07Å; H120-I122 HydrophobicContact CB-CG2 4.01Å; H120-I122 PolarHBondContact O-N 2.85Å; H120-I122 VanDerWaalsContact O-N 3.13Å; H120-H123 PolarHBondContact N-ND1 2.8Å; H120-H123 AromaticContact ND1-CE1 3.72Å; H120-H123 PolarHBondContact O-N 3.04Å; H120-K158 CarbonylContact C-O 3.49Å; H120-K158 WeakPolarHBondContact CA-O 3.41Å
121	G	90.7	Very high	90.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-27.9	-177.7	0	0	0	0	0	113.9	H123 L124 F125 L156 K158	G121-H123 VanDerWaalsContact C-N 3.32Å; G121-H123 PolarHBondContact O-N 3.36Å; G121-L124 PolarHBondContact O-N 3.19Å; G121-F125 PolarHBondContact O-N 3.09Å; G121-F125 VanDerWaalsContact O-N 3.09Å; G121-L156 PolarHBondContact N-O 3.02Å; G121-K158 PolarHBondContact N-O 2.74Å
122	I	92	Very high	90.7	Very high	41 Å²	41	44.3 Å²	44.3	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-41.7	173.9	-165.2	170.6	0	0	0	112.5	H90 H120 L124 F125 E126 L156	H90-I122 HydrophobicContact CB-CG2 3.98Å; H120-I122 HydrophobicContact CB-CG2 4.01Å; H120-I122 PolarHBondContact O-N 2.85Å; H120-I122 VanDerWaalsContact O-N 3.13Å; I122-L124 PolarHBondContact O-N 2.84Å; I122-F125 WeakPolarHBondContact O-CB 3.31Å; I122-F125 PolarHBondContact O-N 3.42Å; I122-F125 VanDerWaalsContact O-N 3.15Å; I122-E126 HydrophobicContact CG1-CG 4.12Å; I122-E126 WeakPolarHBondContact O-CB 3.46Å; I122-E126 VanDerWaalsContact O-CG 3.3Å; I122-E126 WeakPolarHBondContact O-CG 3.48Å; I122-E126 PolarHBondContact O-N 3.11Å; I122-L156 HydrophobicContact CB-CB 4.01Å; I122-L156 PolarHBondContact N-O 3.17Å
123	H	92	Very high	90.6	Very high	38 Å²	38	44 Å²	44	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-30.3	-176.3	-48.6	133.3	0	0	0	113	H90 F92 I115 A119 H120 G121 E126 K127	H90-H123 PolarHBondContact O-CE1 3Å; H90-H123 PolarHBondContact O-NE2 2.97Å; F92-H123 AromaticContact CD1-CE1 3.29Å; F92-H123 WeakPolarHBondContact CD1-CE1 3.4Å; F92-H123 AromaticContact CD1-ND1 3.46Å; F92-H123 WeakPolarHBondContact CD1-ND1 3.2Å; F92-H123 AromaticContact CE1-CE1 3.62Å; F92-H123 AromaticContact CE1-ND1 3.33Å; F92-H123 VanDerWaalsContact CE1-ND1 3.33Å; F92-H123 WeakPolarHBondContact CE1-ND1 3.34Å; I115-H123 HydrophobicContact CD1-CB 4.12Å; A119-H123 HydrophobicContact CB-CB 4.5Å; H120-H123 PolarHBondContact N-ND1 2.8Å; H120-H123 AromaticContact ND1-CE1 3.72Å; H120-H123 PolarHBondContact O-N 3.04Å; G121-H123 VanDerWaalsContact C-N 3.32Å; G121-H123 PolarHBondContact O-N 3.36Å; H123-E126 IonicContact CD2-OE2 2.87Å; H123-K127 VanDerWaalsContact O-CB 3.28Å; H123-K127 WeakPolarHBondContact O-CB 3.36Å; H123-K127 PolarHBondContact O-N 2.77Å; H123-K127 VanDerWaalsContact O-N 3.14Å
124	L	92.9	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-44.6	170.8	179.2	61.4	0	0	0	110.1	C101 Y113 I115 G121 I122 K127 V128 L142 I160 L171	C101-L124 HydrophobicContact CB-CD1 4.08Å; C101-L124 HydrophobicContact CB-CD2 4.18Å; Y113-L124 HydrophobicContact CD2-CD1 4.46Å; Y113-L124 HydrophobicContact CG-CD1 4.11Å; I115-L124 HydrophobicContact CD1-CB 3.71Å; G121-L124 PolarHBondContact O-N 3.19Å; I122-L124 PolarHBondContact O-N 2.84Å; L124-K127 PolarHBondContact O-N 3.41Å; L124-V128 HydrophobicContact CD1-CG2 4.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 2.86Å; L124-L142 HydrophobicContact CB-CD1 4.4Å; L124-L142 HydrophobicContact CD2-CD1 3.87Å; L124-L142 HydrophobicContact CG-CD1 3.86Å; L124-I160 HydrophobicContact CB-CD1 3.74Å; L124-I160 HydrophobicContact CD2-CD1 3.95Å; L124-I160 HydrophobicContact CG-CD1 4.47Å; L124-L171 HydrophobicContact CD2-CD1 4.03Å; L124-L171 HydrophobicContact CD2-CD2 4.34Å
125	F	93.9	Very high	90.3	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-43.7	179.6	-175.1	-114.4	0	0	0	112.4	G121 I122 V128 C129 T137 F140 L142 L156 F173	G121-F125 PolarHBondContact O-N 3.09Å; G121-F125 VanDerWaalsContact O-N 3.09Å; I122-F125 WeakPolarHBondContact O-CB 3.31Å; I122-F125 PolarHBondContact O-N 3.42Å; I122-F125 VanDerWaalsContact O-N 3.15Å; F125-V128 PolarHBondContact O-N 3.33Å; F125-C129 WeakPolarHBondContact O-CB 3.19Å; F125-C129 PolarHBondContact O-N 3.13Å; F125-C129 PolarHBondContact O-SG 2.96Å; F125-T137 WeakPolarHBondContact CZ-O 3.45Å; F125-F140 HydrophobicContact CE2-CB 4.03Å; F125-F140 HydrophobicContact CZ-CB 3.94Å; F125-L142 HydrophobicContact CB-CD1 4.22Å; F125-L142 HydrophobicContact CD2-CD1 4.33Å; F125-L142 HydrophobicContact CD2-CG 4.15Å; F125-L156 HydrophobicContact CB-CD2 3.86Å; F125-L156 HydrophobicContact CD1-CD1 3.76Å; F125-L156 HydrophobicContact CE1-CD1 4.18Å; F125-L156 HydrophobicContact CG-CD1 4.22Å; F125-L156 HydrophobicContact CG-CD2 4.16Å; F125-F173 AromaticContact CE2-CE2 3.97Å; F125-F173 HydrophobicContact CE2-CE2 3.97Å
126	E	92.8	Very high	90.2	Very high	102 Å²	102	45.5 Å²	45.5	48%	0.477	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-42	172.7	-72.2	171.1	151.5	0	0	111.8	I122 H123 V128 C129 K130	I122-E126 HydrophobicContact CG1-CG 4.12Å; I122-E126 WeakPolarHBondContact O-CB 3.46Å; I122-E126 VanDerWaalsContact O-CG 3.3Å; I122-E126 WeakPolarHBondContact O-CG 3.48Å; I122-E126 PolarHBondContact O-N 3.11Å; H123-E126 IonicContact CD2-OE2 2.87Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 2.84Å; E126-C129 PolarHBondContact O-N 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.5Å; E126-K130 PolarHBondContact O-N 2.68Å
127	K	92.2	Very high	90.3	Very high	91 Å²	91	46.9 Å²	46.9	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-36.7	176.9	-168.6	173.6	-179.5	172.5	0	112	Y113 T114 H123 L124 Q131	Y113-K127 HydrophobicContact CD1-CD 4.05Å; Y113-K127 HydrophobicContact CD1-CG 3.9Å; Y113-K127 HydrophobicContact CE1-CG 4.3Å; T114-K127 PolarHBondContact O-NZ 2.97Å; H123-K127 VanDerWaalsContact O-CB 3.28Å; H123-K127 WeakPolarHBondContact O-CB 3.36Å; H123-K127 PolarHBondContact O-N 2.77Å; H123-K127 VanDerWaalsContact O-N 3.14Å; L124-K127 PolarHBondContact O-N 3.41Å; K127-Q131 PolarHBondContact O-N 2.87Å
128	V	92.7	Very high	90.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-56.3	171.9	173.1	0	0	0	0	110.6	V103 M105 Y113 L124 F125 E126 K130 Q131 L132 F173	V103-V128 HydrophobicContact CG1-CG2 4.5Å; V103-V128 HydrophobicContact CG2-CG2 4.27Å; M105-V128 HydrophobicContact CE-CG1 3.79Å; M105-V128 HydrophobicContact SD-CG1 4.47Å; Y113-V128 HydrophobicContact CD2-CG2 4.3Å; Y113-V128 HydrophobicContact CE1-CG2 4.07Å; Y113-V128 HydrophobicContact CE2-CG2 3.77Å; L124-V128 HydrophobicContact CD1-CG2 4.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 2.86Å; F125-V128 PolarHBondContact O-N 3.33Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 2.84Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.84Å; V128-Q131 PolarHBondContact O-N 3.38Å; V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 PolarHBondContact O-N 2.87Å; V128-L132 VanDerWaalsContact O-N 3.09Å; V128-F173 HydrophobicContact CG1-CD2 3.74Å; V128-F173 HydrophobicContact CG1-CE2 4Å; V128-F173 HydrophobicContact CG1-CG 4.38Å
129	C	92.6	Very high	90.8	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-39.7	-176.1	-63.6	0	0	0	0	112.3	F125 E126 Q131 L132 D133 L134 T137	F125-C129 WeakPolarHBondContact O-CB 3.19Å; F125-C129 PolarHBondContact O-N 3.13Å; F125-C129 PolarHBondContact O-SG 2.96Å; E126-C129 PolarHBondContact O-N 3.29Å; C129-Q131 VanDerWaalsContact C-N 3.31Å; C129-Q131 PolarHBondContact O-N 3.49Å; C129-L132 CarbonylContact O-C 3.55Å; C129-L132 PolarHBondContact O-N 3.47Å; C129-L132 VanDerWaalsContact O-N 3.11Å; C129-D133 PolarHBondContact O-N 2.91Å; C129-L134 HydrophobicContact CB-CB 4.41Å; C129-L134 PolarHBondContact O-N 3.06Å; C129-L134 VanDerWaalsContact O-N 3.09Å; C129-T137 HydrophobicContact CB-CG2 3.65Å
130	K	90.6	Very high	91.1	Very high	184 Å²	184	46.3 Å²	46.3	80%	0.8	22%	0.219	S	C	*	.	H	α-helix	trans	-64.6	-31.2	175.3	-175.5	174.4	-179.9	177.3	0	113.2	E126 V128	E126-K130 WeakPolarHBondContact O-CB 3.5Å; E126-K130 PolarHBondContact O-N 2.68Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.84Å
131	Q	89.2	Confident	91.1	Very high	123 Å²	123	45.2 Å²	45.2	58%	0.575	21%	0.214	S	C	*	.	H	α-helix	trans	-77.5	-23.8	173.7	-169.6	-179.1	2.8	0	0	112.5	Y113 K127 V128 C129	Y113-Q131 PolarHBondContact OH-OE1 2.81Å; K127-Q131 PolarHBondContact O-N 2.87Å; V128-Q131 PolarHBondContact O-N 3.38Å; C129-Q131 VanDerWaalsContact C-N 3.31Å; C129-Q131 PolarHBondContact O-N 3.49Å
132	L	88.3	Confident	91.3	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-83.3	-13.7	172.5	-61.5	-178.9	0	0	0	113.4	M105 V128 C129 L134 F173 L189 F193	M105-L132 HydrophobicContact CE-CD1 3.79Å; M105-L132 HydrophobicContact CE-CD2 4.16Å; M105-L132 HydrophobicContact CE-CG 4.36Å; V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 PolarHBondContact O-N 2.87Å; V128-L132 VanDerWaalsContact O-N 3.09Å; C129-L132 CarbonylContact O-C 3.55Å; C129-L132 PolarHBondContact O-N 3.47Å; C129-L132 VanDerWaalsContact O-N 3.11Å; L132-L134 HydrophobicContact CB-CB 4.05Å; L132-L134 PolarHBondContact O-N 2.82Å; L132-F173 HydrophobicContact CD1-CD1 4.33Å; L132-F173 HydrophobicContact CD1-CE1 3.76Å; L132-F173 HydrophobicContact CD1-CE2 4.36Å; L132-F173 HydrophobicContact CD1-CZ 3.78Å; L132-L189 WeakPolarHBondContact O-CD2 3.42Å; L132-F193 HydrophobicContact CB-CE2 4.45Å; L132-F193 HydrophobicContact CB-CZ 4.49Å; L132-F193 HydrophobicContact CD1-CE2 3.97Å; L132-F193 HydrophobicContact CD1-CZ 3.88Å; L132-F193 HydrophobicContact CD2-CZ 4.07Å; L132-F193 HydrophobicContact CG-CZ 4.36Å
133	D	89.5	Confident	91.4	Very high	73 Å²	73	43.5 Å²	43.5	39%	0.39	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	28.2	-167.5	-160.9	4.5	0	0	0	113.4	C129 R451 P454	C129-D133 PolarHBondContact O-N 2.91Å; D133-R451 PolarHBondContact O-NH1 3.32Å; D133-R451 IonicContact OD1-CZ 3.29Å; D133-R451 IonicContact OD1-NH1 2.75Å; D133-R451 PolarHBondContact OD1-NH1 2.79Å; D133-R451 IonicContact OD1-NH2 2.72Å; D133-R451 PolarHBondContact OD1-NH2 2.96Å; D133-R451 VanDerWaalsContact OD1-NH2 3.08Å; D133-R451 IonicContact OD2-CZ 3.8Å; D133-R451 IonicContact OD2-NH1 3.88Å; D133-R451 IonicContact OD2-NH2 3.33Å; D133-R451 PolarHBondContact OD2-NH2 3.29Å; D133-P454 HydrophobicContact CB-CB 4.44Å
134	L	88.5	Confident	91.3	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	20%	0.204	C	C	.	.			trans	-82	119.9	-176.5	-179.7	65.9	0	0	0	111.3	C129 L132 T137 F140 F173 L189 F193	C129-L134 HydrophobicContact CB-CB 4.41Å; C129-L134 PolarHBondContact O-N 3.06Å; C129-L134 VanDerWaalsContact O-N 3.09Å; L132-L134 HydrophobicContact CB-CB 4.05Å; L132-L134 PolarHBondContact O-N 2.82Å; L134-T137 HydrophobicContact CG-CG2 4.43Å; L134-T137 WeakPolarHBondContact O-CG2 3.26Å; L134-F140 HydrophobicContact CD1-CE2 3.84Å; L134-F140 HydrophobicContact CD1-CZ 4.14Å; L134-F140 HydrophobicContact CD2-CD1 4.35Å; L134-F140 HydrophobicContact CD2-CD2 3.56Å; L134-F140 HydrophobicContact CD2-CE1 4.39Å; L134-F140 HydrophobicContact CD2-CE2 3.65Å; L134-F140 HydrophobicContact CD2-CG 3.94Å; L134-F140 HydrophobicContact CD2-CZ 4.07Å; L134-F140 HydrophobicContact CG-CD2 4.47Å; L134-F140 HydrophobicContact CG-CE2 4.24Å; L134-F173 HydrophobicContact CD2-CZ 3.77Å; L134-L189 HydrophobicContact CB-CD2 4.35Å; L134-L189 HydrophobicContact CD1-CD2 4.34Å; L134-F193 HydrophobicContact CD1-CD2 4.43Å
135	Q	85.9	Confident	90.9	Very high	89 Å²	89	47.8 Å²	47.8	42%	0.416	22%	0.221	S	C	.	.	S	Bend	trans	-89.6	-41.1	177.9	-59.9	-155.7	-22.6	0	0	113.7	T137	Q135-T137 PolarHBondContact O-N 2.89Å
136	E	88.2	Confident	90.2	Very high	11 Å²	11	49 Å²	49	5%	0.051	23%	0.229	C	C	.	.			trans	-82.9	51.2	-174.3	-55.1	-178.8	105.9	0	0	111.6	E138 Y139 F140 F185 K186 D187 T190	E136-E138 PolarHBondContact O-N 2.81Å; E136-E138 VanDerWaalsContact O-N 3.1Å; E136-Y139 HydrophobicContact CB-CD2 3.98Å; E136-Y139 HydrophobicContact CB-CE2 4.03Å; E136-Y139 WeakPolarHBondContact O-CD2 3.29Å; E136-F140 WeakPolarHBondContact O-CD2 3.21Å; E136-F185 WeakPolarHBondContact OE1-CA 3.43Å; E136-K186 VanDerWaalsContact CD-N 3.32Å; E136-K186 PolarHBondContact OE1-N 3.01Å; E136-K186 PolarHBondContact OE2-N 2.04Å; E136-K186 VanDerWaalsContact OE2-N 3.16Å; E136-D187 WeakPolarHBondContact OE2-CB 3.33Å; E136-D187 PolarHBondContact OE2-N 2.88Å; E136-T190 HydrophobicContact CB-CG2 4.42Å; E136-T190 VanDerWaalsContact OE2-CB 3.26Å; E136-T190 WeakPolarHBondContact OE2-CB 3.24Å; E136-T190 PolarHBondContact OE2-OG1 2.93Å
137	T	91.7	Very high	89.5	Confident	47 Å²	47	48.3 Å²	48.3	29%	0.288	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.6	-22.8	-170.7	60.8	0	0	0	0	113.9	F125 C129 L134 Q135 Y139 F140	F125-T137 WeakPolarHBondContact CZ-O 3.45Å; C129-T137 HydrophobicContact CB-CG2 3.65Å; L134-T137 HydrophobicContact CG-CG2 4.43Å; L134-T137 WeakPolarHBondContact O-CG2 3.26Å; Q135-T137 PolarHBondContact O-N 2.89Å; T137-Y139 VanDerWaalsContact C-N 3.27Å; T137-Y139 PolarHBondContact O-N 2.87Å; T137-F140 PolarHBondContact O-N 2.8Å; T137-F140 VanDerWaalsContact O-N 3.14Å
138	E	90	Very high	88.8	Confident	71 Å²	71	46.7 Å²	46.7	33%	0.332	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-61.3	-26.8	-176.2	55.8	-114.6	-89.6	0	0	115.7	E136 F140 F177 F407 R411	E136-E138 PolarHBondContact O-N 2.81Å; E136-E138 VanDerWaalsContact O-N 3.1Å; E138-F140 PolarHBondContact O-N 2.84Å; E138-F177 WeakPolarHBondContact O-CD2 3.4Å; E138-F177 WeakPolarHBondContact O-CE2 3.43Å; E138-F407 HydrophobicContact CB-CE2 4.04Å; E138-F407 HydrophobicContact CG-CE2 4.27Å; E138-F407 HydrophobicContact CG-CZ 4.38Å; E138-F407 WeakPolarHBondContact O-CE2 3.5Å; E138-R411 IonicContact OE1-CZ 2.8Å; E138-R411 IonicContact OE1-NH1 4Å; E138-R411 PolarHBondContact OE1-NH1 2.9Å; E138-R411 IonicContact OE1-NH2 3.18Å; E138-R411 PolarHBondContact OE1-NH2 2.9Å
139	Y	92.5	Very high	88.2	Confident	22 Å²	22	56.5 Å²	56.5	9%	0.086	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-75.3	-14.6	179.7	-60.6	-76.4	0	0	0	112.8	E136 T137 R176 F177 P179 I184 F185 T190 F407	E136-Y139 HydrophobicContact CB-CD2 3.98Å; E136-Y139 HydrophobicContact CB-CE2 4.03Å; E136-Y139 WeakPolarHBondContact O-CD2 3.29Å; T137-Y139 VanDerWaalsContact C-N 3.27Å; T137-Y139 PolarHBondContact O-N 2.87Å; Y139-R176 PolarHBondContact O-N 2.86Å; Y139-F177 HydrophobicContact CD1-CB 4.34Å; Y139-F177 PolarHBondContact O-N 3.23Å; Y139-P179 HydrophobicContact CD1-CG 3.88Å; Y139-P179 HydrophobicContact CE1-CG 3.57Å; Y139-I184 WeakPolarHBondContact OH-CG2 3.28Å; Y139-F185 AromaticContact CD1-CE1 3.81Å; Y139-F185 HydrophobicContact CD1-CE1 3.81Å; Y139-F185 HydrophobicContact CD2-CD1 4.03Å; Y139-F185 AromaticContact CD2-CE1 3.66Å; Y139-F185 HydrophobicContact CD2-CE1 3.66Å; Y139-F185 AromaticContact CE1-CE1 3.87Å; Y139-F185 HydrophobicContact CE1-CE1 3.87Å; Y139-F185 AromaticContact CE2-CD1 3.75Å; Y139-F185 HydrophobicContact CE2-CD1 3.75Å; Y139-F185 AromaticContact CE2-CE1 3.72Å; Y139-F185 HydrophobicContact CE2-CE1 3.72Å; Y139-F185 AromaticContact CG-CE1 3.73Å; Y139-F185 HydrophobicContact CG-CE1 3.73Å; Y139-F185 AromaticContact CZ-CE1 3.83Å; Y139-T190 HydrophobicContact CD2-CG2 4.4Å; Y139-F407 HydrophobicContact CD1-CE1 4.08Å; Y139-F407 AromaticContact CD1-CZ 3.55Å; Y139-F407 HydrophobicContact CD1-CZ 3.55Å; Y139-F407 AromaticContact CE1-CE1 3.87Å; Y139-F407 HydrophobicContact CE1-CE1 3.87Å; Y139-F407 AromaticContact CE1-CZ 3.52Å; Y139-F407 HydrophobicContact CE1-CZ 3.52Å; Y139-F407 HydrophobicContact CG-CZ 4.39Å
140	F	94.4	Very high	87.6	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	168.9	-167.9	-62	-93.1	0	0	0	112.8	L106 F125 L134 E136 T137 E138 F173 I175 T190 F193	L106-F140 HydrophobicContact CD1-CE1 4.37Å; F125-F140 HydrophobicContact CE2-CB 4.03Å; F125-F140 HydrophobicContact CZ-CB 3.94Å; L134-F140 HydrophobicContact CD1-CE2 3.84Å; L134-F140 HydrophobicContact CD1-CZ 4.14Å; L134-F140 HydrophobicContact CD2-CD1 4.35Å; L134-F140 HydrophobicContact CD2-CD2 3.56Å; L134-F140 HydrophobicContact CD2-CE1 4.39Å; L134-F140 HydrophobicContact CD2-CE2 3.65Å; L134-F140 HydrophobicContact CD2-CG 3.94Å; L134-F140 HydrophobicContact CD2-CZ 4.07Å; L134-F140 HydrophobicContact CG-CD2 4.47Å; L134-F140 HydrophobicContact CG-CE2 4.24Å; E136-F140 WeakPolarHBondContact O-CD2 3.21Å; T137-F140 PolarHBondContact O-N 2.8Å; T137-F140 VanDerWaalsContact O-N 3.14Å; E138-F140 PolarHBondContact O-N 2.84Å; F140-F173 HydrophobicContact CB-CE2 3.96Å; F140-F173 HydrophobicContact CB-CZ 3.79Å; F140-F173 HydrophobicContact CD1-CD1 4.41Å; F140-F173 AromaticContact CD1-CE1 3.43Å; F140-F173 HydrophobicContact CD1-CE1 3.43Å; F140-F173 VanDerWaalsContact CD1-CE1 3.43Å; F140-F173 HydrophobicContact CD1-CE2 4.26Å; F140-F173 AromaticContact CD1-CZ 3.33Å; F140-F173 HydrophobicContact CD1-CZ 3.33Å; F140-F173 AromaticContact CE1-CE1 3.84Å; F140-F173 HydrophobicContact CE1-CE1 3.84Å; F140-F173 HydrophobicContact CE1-CZ 4.04Å; F140-F173 HydrophobicContact CG-CE1 4.24Å; F140-F173 HydrophobicContact CG-CE2 4.35Å; F140-F173 AromaticContact CG-CZ 3.66Å; F140-F173 HydrophobicContact CG-CZ 3.66Å; F140-I175 HydrophobicContact CD1-CD1 4.5Å; F140-I175 HydrophobicContact CD1-CG1 3.59Å; F140-I175 HydrophobicContact CE1-CD1 3.83Å; F140-I175 HydrophobicContact CE1-CG1 3.4Å; F140-I175 HydrophobicContact CG-CG1 4.48Å; F140-I175 HydrophobicContact CZ-CD1 4.3Å; F140-I175 HydrophobicContact CZ-CG1 4.15Å; F140-T190 HydrophobicContact CE2-CG2 4Å; F140-T190 HydrophobicContact CZ-CG2 4.1Å; F140-F193 HydrophobicContact CE1-CB 3.74Å; F140-F193 HydrophobicContact CE1-CD2 4.15Å; F140-F193 HydrophobicContact CE1-CG 4.22Å; F140-F193 HydrophobicContact CZ-CB 3.99Å; F140-F193 HydrophobicContact CZ-CD2 4.15Å
141	G	93.7	Very high	87.3	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	176.1	169.6	0	0	0	0	0	112.3	R174	G141-R174 PolarHBondContact N-O 3.02Å; G141-R174 PolarHBondContact O-N 3.1Å
142	L	94.6	Very high	87.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	168.3	-67.2	165.5	0	0	0	108.7	V103 L124 F125 L154 L171 E172 F173	V103-L142 HydrophobicContact CG1-CD2 3.59Å; V103-L142 HydrophobicContact CG2-CD2 4.4Å; L124-L142 HydrophobicContact CB-CD1 4.4Å; L124-L142 HydrophobicContact CD2-CD1 3.87Å; L124-L142 HydrophobicContact CG-CD1 3.86Å; F125-L142 HydrophobicContact CB-CD1 4.22Å; F125-L142 HydrophobicContact CD2-CD1 4.33Å; F125-L142 HydrophobicContact CD2-CG 4.15Å; L142-L154 HydrophobicContact CB-CB 4.06Å; L142-L154 HydrophobicContact CB-CD2 4.11Å; L142-L154 HydrophobicContact CD1-CD2 3.92Å; L142-L154 WeakPolarHBondContact O-CB 3.13Å; L142-L154 PolarHBondContact O-N 2.77Å; L142-L171 HydrophobicContact CB-CD2 3.92Å; L142-L171 HydrophobicContact CD1-CD2 4.4Å; L142-E172 CarbonylContact C-O 3.55Å; L142-E172 VanDerWaalsContact CA-O 3.32Å; L142-E172 WeakPolarHBondContact CA-O 3.2Å; L142-F173 HydrophobicContact CD2-CB 4.22Å; L142-F173 HydrophobicContact CD2-CD2 4.23Å
143	T	92.4	Very high	87.5	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.2	168.6	46.8	0	0	0	0	111.1	N152 W153 L171 E172 R174	T143-N152 CarbonylContact C-O 3.59Å; T143-N152 VanDerWaalsContact CA-O 3.3Å; T143-N152 WeakPolarHBondContact CA-O 3.45Å; T143-W153 HydrophobicContact CG2-CD2 3.76Å; T143-W153 HydrophobicContact CG2-CE3 3.51Å; T143-W153 HydrophobicContact CG2-CH2 3.81Å; T143-W153 HydrophobicContact CG2-CZ2 4.05Å; T143-W153 HydrophobicContact CG2-CZ3 3.55Å; T143-L171 CarbonylContact O-C 3.6Å; T143-L171 VanDerWaalsContact O-CA 3.28Å; T143-L171 WeakPolarHBondContact O-CA 3.34Å; T143-E172 PolarHBondContact N-O 2.93Å; T143-E172 PolarHBondContact O-N 3.37Å; T143-E172 PolarHBondContact OG1-O 3.21Å; T143-R174 WeakPolarHBondContact OG1-CD 3.48Å
144	Y	90.6	Very high	87.7	Confident	33 Å²	33	44.1 Å²	44.1	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.2	170.8	70.6	-79.8	0	0	0	110.3	T146 D151 N152 L154 Q163 L164	Y144-T146 HydrophobicContact CD2-CG2 4.25Å; Y144-T146 HydrophobicContact CE2-CG2 3.78Å; Y144-D151 CarbonylContact O-C 3.51Å; Y144-D151 WeakPolarHBondContact O-CA 3.38Å; Y144-N152 HydrophobicContact CD1-CB 4.45Å; Y144-N152 WeakPolarHBondContact CD1-O 3.46Å; Y144-N152 HydrophobicContact CE1-CB 3.98Å; Y144-N152 PolarHBondContact N-O 2.8Å; Y144-N152 PolarHBondContact O-N 2.82Å; Y144-L154 HydrophobicContact CD1-CB 4.46Å; Y144-Q163 HydrophobicContact CE1-CB 4.49Å; Y144-Q163 WeakPolarHBondContact CE2-O 3.32Å; Y144-Q163 PolarHBondContact OH-O 2.82Å; Y144-L164 HydrophobicContact CD1-CD1 3.8Å; Y144-L164 HydrophobicContact CD2-CD1 3.64Å; Y144-L164 HydrophobicContact CD2-CG 3.72Å; Y144-L164 HydrophobicContact CE1-CD1 4.08Å; Y144-L164 HydrophobicContact CE2-CD1 3.91Å; Y144-L164 HydrophobicContact CE2-CG 4.23Å; Y144-L164 HydrophobicContact CG-CD1 3.56Å; Y144-L164 HydrophobicContact CG-CG 3.94Å
145	R	84.2	Confident	87.9	Confident	95 Å²	95	46.5 Å²	46.5	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131	-175.5	-160.7	163.1	-175.3	98.1	-15.4	110.8	R149 D151	R145-R149 VanDerWaalsContact CZ-O 3.29Å; R145-R149 PolarHBondContact NH2-O 2.88Å; R145-D151 WeakPolarHBondContact CD-OD1 3.26Å; R145-D151 VanDerWaalsContact CG-OD1 3.25Å; R145-D151 WeakPolarHBondContact CG-OD1 3.48Å; R145-D151 IonicContact CZ-OD1 3.5Å; R145-D151 IonicContact NE-OD1 2.74Å; R145-D151 IonicContact NH1-OD1 3.75Å; R145-D151 PolarHBondContact NH1-OD1 3.27Å; R145-D151 IonicContact NH1-OD2 2.59Å; R145-D151 PolarHBondContact NH1-OD2 3.09Å
146	T	79.2	Confident	88.1	Confident	38 Å²	38	43 Å²	43	23%	0.233	21%	0.206	C	C	.	.			trans	-98	169	-176.6	57.6	0	0	0	0	112.5	Y144 L148 R149 V150 N152	Y144-T146 HydrophobicContact CD2-CG2 4.25Å; Y144-T146 HydrophobicContact CE2-CG2 3.78Å; T146-L148 PolarHBondContact O-N 3.41Å; T146-L148 VanDerWaalsContact O-N 3.1Å; T146-R149 WeakPolarHBondContact O-CA 3.48Å; T146-R149 PolarHBondContact O-N 2.96Å; T146-V150 PolarHBondContact N-O 2.8Å; T146-V150 PolarHBondContact OG1-O 2.82Å; T146-N152 HydrophobicContact CG2-CB 4.23Å; T146-N152 VanDerWaalsContact CG2-ND2 3.27Å; T146-N152 WeakPolarHBondContact CG2-ND2 3.29Å; T146-N152 PolarHBondContact OG1-ND2 3.47Å
147	S	78	Confident	88.2	Confident	88 Å²	88	44.2 Å²	44.2	62%	0.615	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.4	173.5	47.2	0	0	0	0	114.1	R149	S147-R149 PolarHBondContact O-N 2.82Å
148	L	78.6	Confident	88.1	Confident	57 Å²	57	46.5 Å²	46.5	30%	0.298	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	6.1	170.8	-74.2	178.1	0	0	0	114.5	T146 V150 D390 R392 L393	T146-L148 PolarHBondContact O-N 3.41Å; T146-L148 VanDerWaalsContact O-N 3.1Å; L148-V150 HydrophobicContact CB-CG2 3.86Å; L148-V150 PolarHBondContact O-N 2.95Å; L148-V150 VanDerWaalsContact O-N 3.15Å; L148-D390 HydrophobicContact CD1-CB 4.37Å; L148-R392 HydrophobicContact CD1-CB 3.96Å; L148-L393 HydrophobicContact CD1-CD2 4.17Å; L148-L393 HydrophobicContact CD1-CG 4.15Å
149	R	79.9	Confident	88.2	Confident	207 Å²	207	47.2 Å²	47.2	78%	0.781	22%	0.218	S	C	*	.	S	Bend	trans	55.2	24.8	-174.7	-56.9	-174.2	-179.5	-132.9	1.1	114.3	R145 T146 S147	R145-R149 VanDerWaalsContact CZ-O 3.29Å; R145-R149 PolarHBondContact NH2-O 2.88Å; T146-R149 WeakPolarHBondContact O-CA 3.48Å; T146-R149 PolarHBondContact O-N 2.96Å; S147-R149 PolarHBondContact O-N 2.82Å
150	V	80	Confident	88	Confident	41 Å²	41	46.2 Å²	46.2	25%	0.248	22%	0.215	C	C	.	.			trans	-115.2	143.1	172.4	-66.8	0	0	0	0	111.3	T146 L148 N152 L393	T146-V150 PolarHBondContact N-O 2.8Å; T146-V150 PolarHBondContact OG1-O 2.82Å; L148-V150 HydrophobicContact CB-CG2 3.86Å; L148-V150 PolarHBondContact O-N 2.95Å; L148-V150 VanDerWaalsContact O-N 3.15Å; V150-N152 PolarHBondContact O-ND2 3.01Å; V150-L393 HydrophobicContact CG1-CD2 4.25Å; V150-L393 HydrophobicContact CG2-CD2 3.73Å
151	D	84.9	Confident	87.7	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.4	178.9	-54.5	-23	0	0	0	109.3	Y144 R145 R174 R396	Y144-D151 CarbonylContact O-C 3.51Å; Y144-D151 WeakPolarHBondContact O-CA 3.38Å; R145-D151 WeakPolarHBondContact CD-OD1 3.26Å; R145-D151 VanDerWaalsContact CG-OD1 3.25Å; R145-D151 WeakPolarHBondContact CG-OD1 3.48Å; R145-D151 IonicContact CZ-OD1 3.5Å; R145-D151 IonicContact NE-OD1 2.74Å; R145-D151 IonicContact NH1-OD1 3.75Å; R145-D151 PolarHBondContact NH1-OD1 3.27Å; R145-D151 IonicContact NH1-OD2 2.59Å; R145-D151 PolarHBondContact NH1-OD2 3.09Å; D151-R174 IonicContact OD2-CZ 3.08Å; D151-R174 VanDerWaalsContact OD2-CZ 3.32Å; D151-R174 IonicContact OD2-NH1 3.3Å; D151-R174 PolarHBondContact OD2-NH1 3.28Å; D151-R174 IonicContact OD2-NH2 3.01Å; D151-R174 PolarHBondContact OD2-NH2 2.9Å; D151-R396 PolarHBondContact O-NE 3.14Å; D151-R396 PolarHBondContact O-NH2 3.36Å
152	N	89.2	Confident	87.4	Confident	34 Å²	34	56.1 Å²	56.1	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	-179.5	-74.3	-103.6	0	0	0	109.7	T143 Y144 T146 V150 L154	T143-N152 CarbonylContact C-O 3.59Å; T143-N152 VanDerWaalsContact CA-O 3.3Å; T143-N152 WeakPolarHBondContact CA-O 3.45Å; Y144-N152 HydrophobicContact CD1-CB 4.45Å; Y144-N152 WeakPolarHBondContact CD1-O 3.46Å; Y144-N152 HydrophobicContact CE1-CB 3.98Å; Y144-N152 PolarHBondContact N-O 2.8Å; Y144-N152 PolarHBondContact O-N 2.82Å; T146-N152 HydrophobicContact CG2-CB 4.23Å; T146-N152 VanDerWaalsContact CG2-ND2 3.27Å; T146-N152 WeakPolarHBondContact CG2-ND2 3.29Å; T146-N152 PolarHBondContact OG1-ND2 3.47Å; V150-N152 PolarHBondContact O-ND2 3.01Å; N152-L154 PolarHBondContact O-N 2.97Å
153	W	92.2	Very high	87.2	Confident	50 Å²	50	57.1 Å²	57.1	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.1	174.9	-65.2	106.7	0	0	0	110.8	T143 K155 R174 I175 R176	T143-W153 HydrophobicContact CG2-CD2 3.76Å; T143-W153 HydrophobicContact CG2-CE3 3.51Å; T143-W153 HydrophobicContact CG2-CH2 3.81Å; T143-W153 HydrophobicContact CG2-CZ2 4.05Å; T143-W153 HydrophobicContact CG2-CZ3 3.55Å; W153-K155 PolarHBondContact O-N 3.17Å; W153-R174 HydrophobicContact CH2-CB 4.01Å; W153-R174 HydrophobicContact CZ3-CB 4.31Å; W153-I175 WeakPolarHBondContact CH2-O 3.5Å; W153-R176 HydrophobicContact CD2-CG 4.03Å; W153-R176 HydrophobicContact CE3-CB 4.25Å; W153-R176 HydrophobicContact CE3-CG 4.17Å; W153-R176 HydrophobicContact CH2-CB 3.54Å; W153-R176 HydrophobicContact CH2-CG 4.01Å; W153-R176 HydrophobicContact CZ2-CB 3.84Å; W153-R176 HydrophobicContact CZ2-CG 3.84Å; W153-R176 HydrophobicContact CZ3-CB 3.75Å; W153-R176 HydrophobicContact CZ3-CG 4.15Å
154	L	93.7	Very high	86.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	27%	0.272	C	S	.	.			trans	-61	121.6	171.8	-175.1	72.5	0	0	0	109.2	L142 Y144 N152 L156 Q163 L164 L171	L142-L154 HydrophobicContact CB-CB 4.06Å; L142-L154 HydrophobicContact CB-CD2 4.11Å; L142-L154 HydrophobicContact CD1-CD2 3.92Å; L142-L154 WeakPolarHBondContact O-CB 3.13Å; L142-L154 PolarHBondContact O-N 2.77Å; Y144-L154 HydrophobicContact CD1-CB 4.46Å; N152-L154 PolarHBondContact O-N 2.97Å; L154-L156 HydrophobicContact CD2-CD2 4.42Å; L154-L156 PolarHBondContact O-N 2.95Å; L154-Q163 HydrophobicContact CD1-CB 4.31Å; L154-L164 HydrophobicContact CD1-CD1 3.85Å; L154-L171 HydrophobicContact CB-CD2 4.43Å; L154-L171 HydrophobicContact CD1-CD2 4.29Å; L154-L171 HydrophobicContact CD2-CD2 3.88Å; L154-L171 HydrophobicContact CG-CD2 4.43Å
155	K	92	Very high	86	Confident	60 Å²	60	64.4 Å²	64.4	26%	0.261	31%	0.305	S	S	.	.			trans	-80.4	107.7	177.4	-56.7	-174.3	-174.9	-86.8	0	108.3	W153 D157 K158 Q163 D399	W153-K155 PolarHBondContact O-N 3.17Å; K155-D157 WeakPolarHBondContact CB-OD1 3.36Å; K155-D157 PolarHBondContact O-N 2.78Å; K155-K158 HydrophobicContact CB-CD 4.24Å; K155-K158 HydrophobicContact CB-CG 4.26Å; K155-K158 HydrophobicContact CD-CD 4.31Å; K155-K158 PolarHBondContact O-N 2.89Å; K155-K158 VanDerWaalsContact O-N 3.07Å; K155-Q163 VanDerWaalsContact CB-OE1 3.23Å; K155-Q163 PolarHBondContact O-NE2 3.41Å; K155-D399 IonicContact NZ-OD1 2.93Å; K155-D399 PolarHBondContact NZ-OD1 2.74Å; K155-D399 IonicContact NZ-OD2 3.32Å; K155-D399 PolarHBondContact NZ-OD2 3.03Å
156	L	91.3	Very high	85.5	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.4	-171.1	-57.1	-173.4	0	0	0	112.8	G121 I122 F125 L154 K158	G121-L156 PolarHBondContact N-O 3.02Å; I122-L156 HydrophobicContact CB-CB 4.01Å; I122-L156 PolarHBondContact N-O 3.17Å; F125-L156 HydrophobicContact CB-CD2 3.86Å; F125-L156 HydrophobicContact CD1-CD1 3.76Å; F125-L156 HydrophobicContact CE1-CD1 4.18Å; F125-L156 HydrophobicContact CG-CD1 4.22Å; F125-L156 HydrophobicContact CG-CD2 4.16Å; L154-L156 HydrophobicContact CD2-CD2 4.42Å; L154-L156 PolarHBondContact O-N 2.95Å; L156-K158 PolarHBondContact O-N 3.35Å
157	D	88.6	Confident	85.3	Confident	38 Å²	38	69.7 Å²	69.7	20%	0.203	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.5	176.6	64.9	-58.3	0	0	0	114.2	K155	K155-D157 WeakPolarHBondContact CB-OD1 3.36Å; K155-D157 PolarHBondContact O-N 2.78Å
158	K	91	Very high	85.4	Confident	95 Å²	95	68 Å²	68	41%	0.413	32%	0.317	S	S	.	.	S	Bend	trans	-124.2	152	-170.7	-53	-171.8	-172	-171.2	0	111.9	H120 G121 K155 L156 Q163	H120-K158 CarbonylContact C-O 3.49Å; H120-K158 WeakPolarHBondContact CA-O 3.41Å; G121-K158 PolarHBondContact N-O 2.74Å; K155-K158 HydrophobicContact CB-CD 4.24Å; K155-K158 HydrophobicContact CB-CG 4.26Å; K155-K158 HydrophobicContact CD-CD 4.31Å; K155-K158 PolarHBondContact O-N 2.89Å; K155-K158 VanDerWaalsContact O-N 3.07Å; L156-K158 PolarHBondContact O-N 3.35Å; K158-Q163 HydrophobicContact CB-CG 4.49Å; K158-Q163 PolarHBondContact O-NE2 3.06Å
159	R	90.5	Very high	85.7	Confident	85 Å²	85	65.5 Å²	65.5	32%	0.321	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-61.2	137.5	177.5	-64.1	-168.4	-178.5	174.9	5.9	110.9	N118 A119 A161 K162 Q163	N118-R159 VanDerWaalsContact O-CD 3.3Å; N118-R159 WeakPolarHBondContact O-CD 3.48Å; N118-R159 WeakPolarHBondContact O-CG 3.4Å; N118-R159 PolarHBondContact O-NE 2.77Å; N118-R159 PolarHBondContact OD1-NH1 2.86Å; A119-R159 VanDerWaalsContact O-CA 3.29Å; A119-R159 WeakPolarHBondContact O-CA 3.22Å; R159-A161 VanDerWaalsContact C-N 3.3Å; R159-A161 PolarHBondContact O-N 3.03Å; R159-K162 HydrophobicContact CB-CB 4.44Å; R159-K162 HydrophobicContact CB-CG 4.29Å; R159-K162 PolarHBondContact O-N 2.97Å; R159-Q163 PolarHBondContact O-NE2 2.83Å
160	I	89.3	Confident	86.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.6	-42.6	-179.8	-55.5	171.1	0	0	0	109.7	I115 A119 L124 K162 Q163 L164 W169	I115-I160 HydrophobicContact CD1-CD1 4.15Å; I115-I160 HydrophobicContact CG2-CD1 4.23Å; A119-I160 PolarHBondContact O-N 2.65Å; A119-I160 VanDerWaalsContact O-N 3.13Å; L124-I160 HydrophobicContact CB-CD1 3.74Å; L124-I160 HydrophobicContact CD2-CD1 3.95Å; L124-I160 HydrophobicContact CG-CD1 4.47Å; I160-K162 PolarHBondContact O-N 3.21Å; I160-Q163 PolarHBondContact O-N 2.78Å; I160-L164 HydrophobicContact CG2-CD1 4.18Å; I160-L164 HydrophobicContact CG2-CD2 4.39Å; I160-L164 PolarHBondContact O-N 2.99Å; I160-W169 HydrophobicContact CB-CE3 4.16Å; I160-W169 HydrophobicContact CB-CH2 4.26Å; I160-W169 HydrophobicContact CB-CZ3 3.97Å; I160-W169 HydrophobicContact CG2-CD2 3.71Å; I160-W169 HydrophobicContact CG2-CE3 3.55Å; I160-W169 HydrophobicContact CG2-CG 4.28Å; I160-W169 HydrophobicContact CG2-CH2 4.36Å; I160-W169 HydrophobicContact CG2-CZ2 4.48Å; I160-W169 HydrophobicContact CG2-CZ3 3.89Å
161	A	87.8	Confident	86.6	Confident	41 Å²	41	58.3 Å²	58.3	34%	0.339	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.4	-3.5	172.8	0	0	0	0	0	116.1	K117 R159 W169	K117-A161 HydrophobicContact CG-CB 4.36Å; R159-A161 VanDerWaalsContact C-N 3.3Å; R159-A161 PolarHBondContact O-N 3.03Å; A161-W169 HydrophobicContact CB-CH2 3.8Å; A161-W169 HydrophobicContact CB-CZ2 3.57Å
162	K	88.1	Confident	86.9	Confident	177 Å²	177	58.7 Å²	58.7	77%	0.77	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-110.1	8.9	172.3	-70.1	-168.7	172.9	-170.9	0	112.9	R159 I160	R159-K162 HydrophobicContact CB-CB 4.44Å; R159-K162 HydrophobicContact CB-CG 4.29Å; R159-K162 PolarHBondContact O-N 2.97Å; I160-K162 PolarHBondContact O-N 3.21Å
163	Q	88.8	Confident	87.1	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.103	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-38.9	-174.9	-64.5	-175.3	88.2	0	0	112	Y144 L154 K155 K158 R159 I160	Y144-Q163 HydrophobicContact CE1-CB 4.49Å; Y144-Q163 WeakPolarHBondContact CE2-O 3.32Å; Y144-Q163 PolarHBondContact OH-O 2.82Å; L154-Q163 HydrophobicContact CD1-CB 4.31Å; K155-Q163 VanDerWaalsContact CB-OE1 3.23Å; K155-Q163 PolarHBondContact O-NE2 3.41Å; K158-Q163 HydrophobicContact CB-CG 4.49Å; K158-Q163 PolarHBondContact O-NE2 3.06Å; R159-Q163 PolarHBondContact O-NE2 2.83Å; I160-Q163 PolarHBondContact O-N 2.78Å
164	L	86.2	Confident	87.1	Confident	15 Å²	15	57 Å²	57	8%	0.079	27%	0.267	C	S	.	.			trans	-104.2	117.6	175.9	-77.5	68.7	0	0	0	109.7	Y144 L154 I160 W169 L171	Y144-L164 HydrophobicContact CD1-CD1 3.8Å; Y144-L164 HydrophobicContact CD2-CD1 3.64Å; Y144-L164 HydrophobicContact CD2-CG 3.72Å; Y144-L164 HydrophobicContact CE1-CD1 4.08Å; Y144-L164 HydrophobicContact CE2-CD1 3.91Å; Y144-L164 HydrophobicContact CE2-CG 4.23Å; Y144-L164 HydrophobicContact CG-CD1 3.56Å; Y144-L164 HydrophobicContact CG-CG 3.94Å; L154-L164 HydrophobicContact CD1-CD1 3.85Å; I160-L164 HydrophobicContact CG2-CD1 4.18Å; I160-L164 HydrophobicContact CG2-CD2 4.39Å; I160-L164 PolarHBondContact O-N 2.99Å; L164-W169 VanDerWaalsContact CB-CD1 3.48Å; L164-W169 HydrophobicContact CB-CG 4.21Å; L164-W169 HydrophobicContact CD2-CB 3.67Å; L164-W169 HydrophobicContact CD2-CG 3.82Å; L164-L171 HydrophobicContact CD2-CD1 3.81Å; L164-L171 HydrophobicContact CD2-CD2 4.31Å; L164-L171 HydrophobicContact CD2-CG 3.93Å
165	E	73.2	Confident	87	Confident	175 Å²	175	57 Å²	57	82%	0.818	27%	0.268	S	S	*	.			trans	-82.5	-29.2	-173.8	-65.2	166.7	173.9	0	0	113.3
166	K	73.5	Confident	87.1	Confident	151 Å²	151	56.2 Å²	56.2	66%	0.657	26%	0.263	S	S	*	.	S	Bend	trans	-109.4	139.4	-178.1	-62.6	-163.4	174.6	-160.8	0	111.3	W169	K166-W169 VanDerWaalsContact O-CD1 3.24Å
167	I	73.6	Confident	87.2	Confident	93 Å²	93	56.1 Å²	56.1	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	-107.1	140	172.1	-64.1	169.1	0	0	0	106.8
168	P	80.1	Confident	87.4	Confident	53 Å²	53	55.5 Å²	55.5	34%	0.344	26%	0.257	S	S	.	.	S	Bend	cis	-66.8	148.4	2	28.6	-36	0	0	0	113.6	Y102 K170	Y102-P168 HydrophobicContact CD2-CB 3.72Å; Y102-P168 HydrophobicContact CD2-CG 4.49Å; Y102-P168 HydrophobicContact CE2-CB 3.53Å; Y102-P168 HydrophobicContact CE2-CG 4.27Å; P168-K170 PolarHBondContact O-N 2.8Å; P168-K170 VanDerWaalsContact O-N 3.1Å
169	W	86.4	Confident	87.3	Confident	4 Å²	4	51 Å²	51	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	99.1	-179.3	-73.2	-25.1	0	0	0	110.2	E99 L100 C101 Y102 I115 K117 I160 A161 L164 K166 L171	E99-W169 HydrophobicContact CB-CE3 4.07Å; E99-W169 HydrophobicContact CB-CH2 4.04Å; E99-W169 HydrophobicContact CB-CZ3 3.74Å; E99-W169 HydrophobicContact CG-CH2 3.87Å; E99-W169 HydrophobicContact CG-CZ2 4.4Å; E99-W169 HydrophobicContact CG-CZ3 4.09Å; L100-W169 PolarHBondContact O-N 2.84Å; L100-W169 VanDerWaalsContact O-N 3.15Å; C101-W169 CarbonylContact C-O 3.53Å; C101-W169 WeakPolarHBondContact CA-O 3.42Å; Y102-W169 PolarHBondContact N-O 3.48Å; I115-W169 HydrophobicContact CG2-CE3 4.4Å; I115-W169 HydrophobicContact CG2-CZ3 4.01Å; K117-W169 HydrophobicContact CG-CH2 4.45Å; I160-W169 HydrophobicContact CB-CE3 4.16Å; I160-W169 HydrophobicContact CB-CH2 4.26Å; I160-W169 HydrophobicContact CB-CZ3 3.97Å; I160-W169 HydrophobicContact CG2-CD2 3.71Å; I160-W169 HydrophobicContact CG2-CE3 3.55Å; I160-W169 HydrophobicContact CG2-CG 4.28Å; I160-W169 HydrophobicContact CG2-CH2 4.36Å; I160-W169 HydrophobicContact CG2-CZ2 4.48Å; I160-W169 HydrophobicContact CG2-CZ3 3.89Å; A161-W169 HydrophobicContact CB-CH2 3.8Å; A161-W169 HydrophobicContact CB-CZ2 3.57Å; L164-W169 VanDerWaalsContact CB-CD1 3.48Å; L164-W169 HydrophobicContact CB-CG 4.21Å; L164-W169 HydrophobicContact CD2-CB 3.67Å; L164-W169 HydrophobicContact CD2-CG 3.82Å; K166-W169 VanDerWaalsContact O-CD1 3.24Å; W169-L171 HydrophobicContact CB-CD1 4.12Å; W169-L171 WeakPolarHBondContact O-CD1 3.45Å
170	K	87.4	Confident	87.1	Confident	93 Å²	93	49.7 Å²	49.7	40%	0.404	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.9	175.3	-65	176.3	178.2	173.5	0	110.5	D36 P168	D36-K170 IonicContact OD1-NZ 2.86Å; D36-K170 PolarHBondContact OD1-NZ 2.81Å; D36-K170 IonicContact OD2-NZ 3.98Å; D36-K170 PolarHBondContact OD2-NZ 3.34Å; P168-K170 PolarHBondContact O-N 2.8Å; P168-K170 VanDerWaalsContact O-N 3.1Å
171	L	91.4	Very high	87	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	168.5	176.6	-58.9	98.2	0	0	0	110.4	Y102 V103 L104 L124 L142 T143 L154 L164 W169	Y102-L171 PolarHBondContact O-N 2.75Å; V103-L171 WeakPolarHBondContact CA-O 3.45Å; L104-L171 PolarHBondContact N-O 2.84Å; L124-L171 HydrophobicContact CD2-CD1 4.03Å; L124-L171 HydrophobicContact CD2-CD2 4.34Å; L142-L171 HydrophobicContact CB-CD2 3.92Å; L142-L171 HydrophobicContact CD1-CD2 4.4Å; T143-L171 CarbonylContact O-C 3.6Å; T143-L171 VanDerWaalsContact O-CA 3.28Å; T143-L171 WeakPolarHBondContact O-CA 3.34Å; L154-L171 HydrophobicContact CB-CD2 4.43Å; L154-L171 HydrophobicContact CD1-CD2 4.29Å; L154-L171 HydrophobicContact CD2-CD2 3.88Å; L154-L171 HydrophobicContact CG-CD2 4.43Å; L164-L171 HydrophobicContact CD2-CD1 3.81Å; L164-L171 HydrophobicContact CD2-CD2 4.31Å; L164-L171 HydrophobicContact CD2-CG 3.93Å; W169-L171 HydrophobicContact CB-CD1 4.12Å; W169-L171 WeakPolarHBondContact O-CD1 3.45Å
172	E	90.1	Very high	87	Confident	24 Å²	24	51.2 Å²	51.2	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.6	175.2	-48.6	-179.6	-154.7	0	0	109.5	Y43 L104 L142 T143 R174	Y43-E172 PolarHBondContact OH-OE1 3.34Å; Y43-E172 PolarHBondContact OH-OE2 2.95Å; L104-E172 HydrophobicContact CB-CB 4.33Å; L104-E172 HydrophobicContact CB-CG 4.1Å; L104-E172 HydrophobicContact CD2-CG 4.38Å; L104-E172 CarbonylContact O-C 3.58Å; L104-E172 WeakPolarHBondContact O-CA 3.5Å; L142-E172 CarbonylContact C-O 3.55Å; L142-E172 VanDerWaalsContact CA-O 3.32Å; L142-E172 WeakPolarHBondContact CA-O 3.2Å; T143-E172 PolarHBondContact N-O 2.93Å; T143-E172 PolarHBondContact O-N 3.37Å; T143-E172 PolarHBondContact OG1-O 3.21Å; E172-R174 HydrophobicContact CB-CG 4.36Å; E172-R174 VanDerWaalsContact CD-NH2 3.28Å; E172-R174 IonicContact OE1-NH2 3.47Å; E172-R174 PolarHBondContact OE1-NH2 2.82Å; E172-R174 IonicContact OE2-CZ 2.75Å; E172-R174 IonicContact OE2-NE 3.44Å; E172-R174 PolarHBondContact OE2-NE 3.3Å; E172-R174 IonicContact OE2-NH2 3.45Å; E172-R174 PolarHBondContact OE2-NH2 3.1Å
173	F	93.3	Very high	86.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.8	173	-176.1	-100.4	0	0	0	108.9	V103 L104 M105 L106 F125 V128 L132 L134 F140 L142	V103-F173 HydrophobicContact CG1-CB 3.98Å; L104-F173 PolarHBondContact O-N 3.23Å; M105-F173 HydrophobicContact CE-CB 3.58Å; M105-F173 HydrophobicContact CE-CD1 3.7Å; M105-F173 HydrophobicContact CE-CD2 4.29Å; M105-F173 HydrophobicContact CE-CE1 4.44Å; M105-F173 HydrophobicContact CE-CG 3.6Å; M105-F173 HydrophobicContact SD-CB 4.14Å; L106-F173 HydrophobicContact CD1-CD1 4.02Å; L106-F173 HydrophobicContact CD1-CE1 4.16Å; L106-F173 WeakPolarHBondContact CD2-O 3.31Å; L106-F173 HydrophobicContact CG-CD1 4.17Å; L106-F173 WeakPolarHBondContact CG-O 3.32Å; F125-F173 AromaticContact CE2-CE2 3.97Å; F125-F173 HydrophobicContact CE2-CE2 3.97Å; V128-F173 HydrophobicContact CG1-CD2 3.74Å; V128-F173 HydrophobicContact CG1-CE2 4Å; V128-F173 HydrophobicContact CG1-CG 4.38Å; L132-F173 HydrophobicContact CD1-CD1 4.33Å; L132-F173 HydrophobicContact CD1-CE1 3.76Å; L132-F173 HydrophobicContact CD1-CE2 4.36Å; L132-F173 HydrophobicContact CD1-CZ 3.78Å; L134-F173 HydrophobicContact CD2-CZ 3.77Å; F140-F173 HydrophobicContact CB-CE2 3.96Å; F140-F173 HydrophobicContact CB-CZ 3.79Å; F140-F173 HydrophobicContact CD1-CD1 4.41Å; F140-F173 AromaticContact CD1-CE1 3.43Å; F140-F173 HydrophobicContact CD1-CE1 3.43Å; F140-F173 VanDerWaalsContact CD1-CE1 3.43Å; F140-F173 HydrophobicContact CD1-CE2 4.26Å; F140-F173 AromaticContact CD1-CZ 3.33Å; F140-F173 HydrophobicContact CD1-CZ 3.33Å; F140-F173 AromaticContact CE1-CE1 3.84Å; F140-F173 HydrophobicContact CE1-CE1 3.84Å; F140-F173 HydrophobicContact CE1-CZ 4.04Å; F140-F173 HydrophobicContact CG-CE1 4.24Å; F140-F173 HydrophobicContact CG-CE2 4.35Å; F140-F173 AromaticContact CG-CZ 3.66Å; F140-F173 HydrophobicContact CG-CZ 3.66Å; L142-F173 HydrophobicContact CD2-CB 4.22Å; L142-F173 HydrophobicContact CD2-CD2 4.23Å
174	R	92.5	Very high	86.7	Confident	46 Å²	46	49.4 Å²	49.4	17%	0.174	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.3	-175.2	-67.4	-167.4	-170.6	166.3	6.2	111.6	G141 T143 D151 W153 E172	G141-R174 PolarHBondContact N-O 3.02Å; G141-R174 PolarHBondContact O-N 3.1Å; T143-R174 WeakPolarHBondContact OG1-CD 3.48Å; D151-R174 IonicContact OD2-CZ 3.08Å; D151-R174 VanDerWaalsContact OD2-CZ 3.32Å; D151-R174 IonicContact OD2-NH1 3.3Å; D151-R174 PolarHBondContact OD2-NH1 3.28Å; D151-R174 IonicContact OD2-NH2 3.01Å; D151-R174 PolarHBondContact OD2-NH2 2.9Å; W153-R174 HydrophobicContact CH2-CB 4.01Å; W153-R174 HydrophobicContact CZ3-CB 4.31Å; E172-R174 HydrophobicContact CB-CG 4.36Å; E172-R174 VanDerWaalsContact CD-NH2 3.28Å; E172-R174 IonicContact OE1-NH2 3.47Å; E172-R174 PolarHBondContact OE1-NH2 2.82Å; E172-R174 IonicContact OE2-CZ 2.75Å; E172-R174 IonicContact OE2-NE 3.44Å; E172-R174 PolarHBondContact OE2-NE 3.3Å; E172-R174 IonicContact OE2-NH2 3.45Å; E172-R174 PolarHBondContact OE2-NH2 3.1Å
175	I	92.8	Very high	86.8	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134	171.2	-69.5	167.9	0	0	0	109.7	L106 F140 W153 F177 Y178 F193 L194 Q197	L106-I175 HydrophobicContact CD1-CG1 4.41Å; F140-I175 HydrophobicContact CD1-CD1 4.5Å; F140-I175 HydrophobicContact CD1-CG1 3.59Å; F140-I175 HydrophobicContact CE1-CD1 3.83Å; F140-I175 HydrophobicContact CE1-CG1 3.4Å; F140-I175 HydrophobicContact CG-CG1 4.48Å; F140-I175 HydrophobicContact CZ-CD1 4.3Å; F140-I175 HydrophobicContact CZ-CG1 4.15Å; W153-I175 WeakPolarHBondContact CH2-O 3.5Å; I175-F177 WeakPolarHBondContact CG2-O 3.39Å; I175-Y178 HydrophobicContact CB-CE1 4.46Å; I175-Y178 HydrophobicContact CB-CE2 4.43Å; I175-Y178 HydrophobicContact CG2-CD1 4.33Å; I175-Y178 HydrophobicContact CG2-CD2 4.16Å; I175-Y178 HydrophobicContact CG2-CE1 4.11Å; I175-Y178 HydrophobicContact CG2-CE2 3.91Å; I175-Y178 HydrophobicContact CG2-CG 4.33Å; I175-Y178 WeakPolarHBondContact O-CE2 3.33Å; I175-Y178 PolarHBondContact O-OH 3.36Å; I175-Y178 VanDerWaalsContact O-OH 3.09Å; I175-F193 HydrophobicContact CD1-CB 4.45Å; I175-L194 HydrophobicContact CD1-CB 3.77Å; I175-L194 HydrophobicContact CD1-CD1 3.74Å; I175-L194 HydrophobicContact CD1-CG 4.36Å; I175-L194 HydrophobicContact CG2-CD1 4.34Å; I175-Q197 HydrophobicContact CB-CG 4.28Å; I175-Q197 HydrophobicContact CD1-CB 4.12Å
176	R	92.9	Very high	87.4	Confident	42 Å²	42	45.4 Å²	45.4	16%	0.158	22%	0.22	C	C	.	.			trans	-106.1	-32.3	-172.9	-177.5	173	173.9	173.9	-3.1	112.7	Y139 W153 S403 Q404	Y139-R176 PolarHBondContact O-N 2.86Å; W153-R176 HydrophobicContact CD2-CG 4.03Å; W153-R176 HydrophobicContact CE3-CB 4.25Å; W153-R176 HydrophobicContact CE3-CG 4.17Å; W153-R176 HydrophobicContact CH2-CB 3.54Å; W153-R176 HydrophobicContact CH2-CG 4.01Å; W153-R176 HydrophobicContact CZ2-CB 3.84Å; W153-R176 HydrophobicContact CZ2-CG 3.84Å; W153-R176 HydrophobicContact CZ3-CB 3.75Å; W153-R176 HydrophobicContact CZ3-CG 4.15Å; R176-S403 PolarHBondContact NE-OG 3.11Å; R176-S403 PolarHBondContact NH2-OG 3.07Å; R176-Q404 PolarHBondContact O-NE2 2.85Å
177	F	93.4	Very high	88	Confident	13 Å²	13	38.2 Å²	38.2	6%	0.057	19%	0.189	C	C	.	.			trans	-126.9	121.5	-177.7	-54.6	-77.5	0	0	0	108.7	E138 Y139 I175 P179 S403 Q404 F407 F408	E138-F177 WeakPolarHBondContact O-CD2 3.4Å; E138-F177 WeakPolarHBondContact O-CE2 3.43Å; Y139-F177 HydrophobicContact CD1-CB 4.34Å; Y139-F177 PolarHBondContact O-N 3.23Å; I175-F177 WeakPolarHBondContact CG2-O 3.39Å; F177-P179 WeakPolarHBondContact O-CD 3.27Å; F177-S403 WeakPolarHBondContact CE1-OG 3.45Å; F177-S403 VanDerWaalsContact CZ-OG 3.28Å; F177-S403 WeakPolarHBondContact CZ-OG 3.37Å; F177-Q404 VanDerWaalsContact CD1-OE1 3.27Å; F177-F407 HydrophobicContact CB-CD1 3.82Å; F177-F407 HydrophobicContact CB-CD2 4.27Å; F177-F407 HydrophobicContact CB-CE1 3.65Å; F177-F407 HydrophobicContact CB-CE2 4.09Å; F177-F407 HydrophobicContact CB-CG 4.14Å; F177-F407 HydrophobicContact CB-CZ 3.8Å; F177-F407 HydrophobicContact CD1-CB 3.5Å; F177-F407 VanDerWaalsContact CD1-CB 3.5Å; F177-F407 AromaticContact CD1-CD1 3.76Å; F177-F407 HydrophobicContact CD1-CD1 3.76Å; F177-F407 AromaticContact CD1-CD2 3.72Å; F177-F407 HydrophobicContact CD1-CD2 3.72Å; F177-F407 HydrophobicContact CD1-CE1 4.43Å; F177-F407 HydrophobicContact CD1-CE2 4.37Å; F177-F407 AromaticContact CD1-CG 3.37Å; F177-F407 HydrophobicContact CD1-CG 3.37Å; F177-F407 HydrophobicContact CD2-CD1 4.48Å; F177-F407 AromaticContact CD2-CD2 3.43Å; F177-F407 HydrophobicContact CD2-CD2 3.43Å; F177-F407 VanDerWaalsContact CD2-CD2 3.43Å; F177-F407 AromaticContact CD2-CE2 3.47Å; F177-F407 HydrophobicContact CD2-CE2 3.47Å; F177-F407 VanDerWaalsContact CD2-CE2 3.47Å; F177-F407 AromaticContact CD2-CG 3.98Å; F177-F407 HydrophobicContact CD2-CG 3.98Å; F177-F407 HydrophobicContact CD2-CZ 4.06Å; F177-F407 HydrophobicContact CE1-CB 3.33Å; F177-F407 HydrophobicContact CE1-CD1 4.44Å; F177-F407 AromaticContact CE1-CD2 3.8Å; F177-F407 HydrophobicContact CE1-CD2 3.8Å; F177-F407 AromaticContact CE1-CG 3.62Å; F177-F407 HydrophobicContact CE1-CG 3.62Å; F177-F407 AromaticContact CE2-CD2 3.48Å; F177-F407 HydrophobicContact CE2-CD2 3.48Å; F177-F407 VanDerWaalsContact CE2-CD2 3.48Å; F177-F407 AromaticContact CE2-CE2 3.87Å; F177-F407 HydrophobicContact CE2-CE2 3.87Å; F177-F407 HydrophobicContact CE2-CG 4.16Å; F177-F407 HydrophobicContact CG-CB 4.21Å; F177-F407 AromaticContact CG-CD1 3.78Å; F177-F407 HydrophobicContact CG-CD1 3.78Å; F177-F407 AromaticContact CG-CD2 3.54Å; F177-F407 HydrophobicContact CG-CD2 3.54Å; F177-F407 AromaticContact CG-CE1 3.98Å; F177-F407 HydrophobicContact CG-CE1 3.98Å; F177-F407 AromaticContact CG-CE2 3.73Å; F177-F407 HydrophobicContact CG-CE2 3.73Å; F177-F407 AromaticContact CG-CG 3.56Å; F177-F407 HydrophobicContact CG-CG 3.56Å; F177-F407 AromaticContact CG-CZ 3.96Å; F177-F407 HydrophobicContact CG-CZ 3.96Å; F177-F407 HydrophobicContact CZ-CB 3.89Å; F177-F407 AromaticContact CZ-CD2 3.65Å; F177-F407 HydrophobicContact CZ-CD2 3.65Å; F177-F407 HydrophobicContact CZ-CE2 4.48Å; F177-F407 AromaticContact CZ-CG 3.98Å; F177-F407 HydrophobicContact CZ-CG 3.98Å; F177-F408 HydrophobicContact CB-CE2 4.04Å; F177-F408 HydrophobicContact CB-CZ 3.99Å; F177-F408 HydrophobicContact CD1-CE2 4.08Å
178	Y	93	Very high	88.7	Confident	25 Å²	25	35.1 Å²	35.1	10%	0.098	17%	0.174	C	C	.	.			trans	-109.3	102.6	-175	-65.7	-106.6	0	0	0	108.1	I175 L194 Q197 L198 Y288 G289 F408	I175-Y178 HydrophobicContact CB-CE1 4.46Å; I175-Y178 HydrophobicContact CB-CE2 4.43Å; I175-Y178 HydrophobicContact CG2-CD1 4.33Å; I175-Y178 HydrophobicContact CG2-CD2 4.16Å; I175-Y178 HydrophobicContact CG2-CE1 4.11Å; I175-Y178 HydrophobicContact CG2-CE2 3.91Å; I175-Y178 HydrophobicContact CG2-CG 4.33Å; I175-Y178 WeakPolarHBondContact O-CE2 3.33Å; I175-Y178 PolarHBondContact O-OH 3.36Å; I175-Y178 VanDerWaalsContact O-OH 3.09Å; Y178-L194 HydrophobicContact CD1-CD1 3.7Å; Y178-L194 HydrophobicContact CE1-CD1 3.85Å; Y178-Q197 HydrophobicContact CE1-CG 4.01Å; Y178-Q197 WeakPolarHBondContact OH-CG 3.25Å; Y178-L198 HydrophobicContact CD1-CD2 4.3Å; Y178-L198 HydrophobicContact CE1-CD2 4.1Å; Y178-Y288 HydrophobicContact CD1-CE2 4.16Å; Y178-G289 VanDerWaalsContact CG-CA 3.4Å; Y178-F408 WeakPolarHBondContact O-CZ 3.32Å
179	P	88.8	Confident	89.2	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.013	16%	0.16	C	C	.	.			trans	-68.3	146.6	-176.7	-22.4	36.6	0	0	0	112	Y139 F177 N181 I184 F185 Y288	Y139-P179 HydrophobicContact CD1-CG 3.88Å; Y139-P179 HydrophobicContact CE1-CG 3.57Å; F177-P179 WeakPolarHBondContact O-CD 3.27Å; P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 WeakPolarHBondContact CB-O 3.49Å; P179-N181 PolarHBondContact O-N 2.95Å; P179-I184 HydrophobicContact CB-CD1 4.37Å; P179-F185 HydrophobicContact CG-CE1 3.83Å; P179-F185 HydrophobicContact CG-CE2 4.36Å; P179-F185 HydrophobicContact CG-CZ 3.58Å; P179-Y288 WeakPolarHBondContact O-CE1 3.4Å; P179-Y288 PolarHBondContact O-OH 3.15Å
180	P	87.5	Confident	89.4	Confident	56 Å²	56	33 Å²	33	36%	0.364	16%	0.16	S	C	.	.	S	Bend	trans	-68.8	-25.8	173.5	26.6	-33.4	0	0	0	113.1	R283	P180-R283 PolarHBondContact O-NH1 2.89Å
181	N	86.7	Confident	89.6	Confident	75 Å²	75	30 Å²	30	40%	0.401	15%	0.146	S	C	.	.			trans	-119.5	125.1	175.8	180	-1.7	0	0	0	109.5	P179 D183 I184	P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 WeakPolarHBondContact CB-O 3.49Å; P179-N181 PolarHBondContact O-N 2.95Å; N181-D183 WeakPolarHBondContact OD1-CB 3.48Å; N181-D183 PolarHBondContact OD1-N 2.86Å; N181-I184 HydrophobicContact CB-CD1 4.04Å; N181-I184 HydrophobicContact CB-CG1 4.15Å; N181-I184 WeakPolarHBondContact O-CG1 3.46Å
182	I	88.2	Confident	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-85.4	-15.2	-175.8	63.9	172.7	0	0	0	113.5	I184 F185 R276 L279 E280	I182-I184 PolarHBondContact O-N 3.42Å; I182-F185 HydrophobicContact CB-CD2 4.4Å; I182-F185 WeakPolarHBondContact O-CD2 3.48Å; I182-F185 PolarHBondContact O-N 2.61Å; I182-R276 HydrophobicContact CD1-CG 3.87Å; I182-L279 HydrophobicContact CB-CD1 4.5Å; I182-L279 HydrophobicContact CD1-CB 3.47Å; I182-L279 VanDerWaalsContact CD1-CB 3.47Å; I182-L279 HydrophobicContact CD1-CD1 4.29Å; I182-L279 HydrophobicContact CG2-CB 4.19Å; I182-E280 HydrophobicContact CD1-CG 4.01Å; I182-E280 WeakPolarHBondContact CD1-OE1 3.48Å
183	D	85	Confident	89.7	Confident	78 Å²	78	29.1 Å²	29.1	42%	0.417	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-78.1	-1.5	175.5	-63.3	-26.1	0	0	0	112.2	N181 F185 R276	N181-D183 WeakPolarHBondContact OD1-CB 3.48Å; N181-D183 PolarHBondContact OD1-N 2.86Å; D183-F185 VanDerWaalsContact C-N 3.26Å; D183-R276 IonicContact OD1-CZ 2.78Å; D183-R276 IonicContact OD1-NE 3.57Å; D183-R276 PolarHBondContact OD1-NE 3.1Å; D183-R276 IonicContact OD1-NH2 2.64Å; D183-R276 PolarHBondContact OD1-NH2 2.74Å; D183-R276 IonicContact OD2-CZ 2.61Å; D183-R276 IonicContact OD2-NE 3.55Å; D183-R276 IonicContact OD2-NH2 3.68Å; D183-R276 PolarHBondContact OD2-NH2 3.08Å
184	I	85.4	Confident	89.7	Confident	82 Å²	82	29 Å²	29	42%	0.421	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-67.7	-29.6	167.2	-61.4	176.4	0	0	0	110.8	Y139 P179 N181 I182	Y139-I184 WeakPolarHBondContact OH-CG2 3.28Å; P179-I184 HydrophobicContact CB-CD1 4.37Å; N181-I184 HydrophobicContact CB-CD1 4.04Å; N181-I184 HydrophobicContact CB-CG1 4.15Å; N181-I184 WeakPolarHBondContact O-CG1 3.46Å; I182-I184 PolarHBondContact O-N 3.42Å
185	F	87.5	Confident	89.7	Confident	7 Å²	7	27.3 Å²	27.3	3%	0.031	14%	0.136	C	C	.	.			trans	-71.2	136.8	176.9	-57.9	-53.7	0	0	0	111.4	E136 Y139 P179 I182 D183 T190 R191 L194	E136-F185 WeakPolarHBondContact OE1-CA 3.43Å; Y139-F185 AromaticContact CD1-CE1 3.81Å; Y139-F185 HydrophobicContact CD1-CE1 3.81Å; Y139-F185 HydrophobicContact CD2-CD1 4.03Å; Y139-F185 AromaticContact CD2-CE1 3.66Å; Y139-F185 HydrophobicContact CD2-CE1 3.66Å; Y139-F185 AromaticContact CE1-CE1 3.87Å; Y139-F185 HydrophobicContact CE1-CE1 3.87Å; Y139-F185 AromaticContact CE2-CD1 3.75Å; Y139-F185 HydrophobicContact CE2-CD1 3.75Å; Y139-F185 AromaticContact CE2-CE1 3.72Å; Y139-F185 HydrophobicContact CE2-CE1 3.72Å; Y139-F185 AromaticContact CG-CE1 3.73Å; Y139-F185 HydrophobicContact CG-CE1 3.73Å; Y139-F185 AromaticContact CZ-CE1 3.83Å; P179-F185 HydrophobicContact CG-CE1 3.83Å; P179-F185 HydrophobicContact CG-CE2 4.36Å; P179-F185 HydrophobicContact CG-CZ 3.58Å; I182-F185 HydrophobicContact CB-CD2 4.4Å; I182-F185 WeakPolarHBondContact O-CD2 3.48Å; I182-F185 PolarHBondContact O-N 2.61Å; D183-F185 VanDerWaalsContact C-N 3.26Å; F185-T190 HydrophobicContact CB-CG2 4.26Å; F185-T190 HydrophobicContact CD1-CG2 3.26Å; F185-T190 HydrophobicContact CD2-CG2 4.39Å; F185-T190 HydrophobicContact CE1-CG2 3.49Å; F185-T190 VanDerWaalsContact CE1-CG2 3.49Å; F185-T190 HydrophobicContact CG-CG2 3.74Å; F185-T190 HydrophobicContact CZ-CG2 4.16Å; F185-R191 HydrophobicContact CB-CG 4.31Å; F185-R191 HydrophobicContact CD2-CG 4.05Å; F185-R191 PolarHBondContact O-NH1 3.01Å; F185-L194 HydrophobicContact CE2-CD2 3.62Å; F185-L194 HydrophobicContact CZ-CD2 4.01Å
186	K	85.2	Confident	89.7	Confident	99 Å²	99	27.9 Å²	27.9	43%	0.43	14%	0.139	S	C	.	.			trans	-102	-27.3	179.9	-57.4	177.5	-176	177.8	0	112.7	E136 W448 Q453	E136-K186 VanDerWaalsContact CD-N 3.32Å; E136-K186 PolarHBondContact OE1-N 3.01Å; E136-K186 PolarHBondContact OE2-N 2.04Å; E136-K186 VanDerWaalsContact OE2-N 3.16Å; K186-W448 HydrophobicContact CB-CE3 4.4Å; K186-W448 HydrophobicContact CB-CH2 3.41Å; K186-W448 VanDerWaalsContact CB-CH2 3.41Å; K186-W448 HydrophobicContact CB-CZ2 3.58Å; K186-W448 HydrophobicContact CB-CZ3 3.85Å; K186-W448 HydrophobicContact CD-CD2 3.49Å; K186-W448 VanDerWaalsContact CD-CD2 3.49Å; K186-W448 VanDerWaalsContact CD-CE2 3.42Å; K186-W448 HydrophobicContact CD-CE3 3.89Å; K186-W448 HydrophobicContact CD-CG 3.92Å; K186-W448 HydrophobicContact CD-CH2 4.15Å; K186-W448 HydrophobicContact CD-CZ2 3.78Å; K186-W448 HydrophobicContact CD-CZ3 4.2Å; K186-W448 HydrophobicContact CG-CH2 4.44Å; K186-W448 HydrophobicContact CG-CZ2 4.35Å; K186-Q453 PolarHBondContact O-NE2 3.11Å
187	D	87.4	Confident	89.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.			trans	-99.4	130.8	-179.8	-157.5	-48.5	0	0	0	110.4	E136 L189 T190 R191 Q453	E136-D187 WeakPolarHBondContact OE2-CB 3.33Å; E136-D187 PolarHBondContact OE2-N 2.88Å; D187-L189 PolarHBondContact O-N 2.95Å; D187-L189 WeakPolarHBondContact OD1-CB 3.33Å; D187-L189 PolarHBondContact OD1-N 2.85Å; D187-T190 WeakPolarHBondContact O-CB 3.46Å; D187-T190 PolarHBondContact O-N 3.38Å; D187-T190 VanDerWaalsContact O-N 3.11Å; D187-R191 PolarHBondContact O-N 2.87Å; D187-Q453 PolarHBondContact OD1-OE1 2.86Å; D187-Q453 VanDerWaalsContact OD1-OE1 3.13Å
188	D	87.7	Confident	89.6	Confident	29 Å²	29	25.6 Å²	25.6	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-24.2	176.1	-74.5	-38.7	0	0	0	111.9	T190 R191 Y192 V272 I456	D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 PolarHBondContact O-N 2.96Å; D188-R191 PolarHBondContact O-N 3.04Å; D188-R191 IonicContact OD1-CZ 3.68Å; D188-R191 IonicContact OD1-NE 2.74Å; D188-R191 PolarHBondContact OD1-NE 2.84Å; D188-R191 IonicContact OD1-NH2 2.88Å; D188-R191 PolarHBondContact OD1-NH2 3.43Å; D188-Y192 WeakPolarHBondContact O-CB 3.46Å; D188-Y192 PolarHBondContact O-N 3.4Å; D188-V272 HydrophobicContact CB-CG2 4.41Å; D188-V272 VanDerWaalsContact OD1-CG1 3.3Å; D188-V272 WeakPolarHBondContact OD1-CG1 3.25Å; D188-I456 HydrophobicContact CB-CD1 4.04Å
189	L	90.2	Very high	89.5	Confident	12 Å²	12	25.6 Å²	25.6	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-36.5	171.9	-175.3	66.2	0	0	0	111.7	L132 L134 D187 Y192 F193 P454 I456	L132-L189 WeakPolarHBondContact O-CD2 3.42Å; L134-L189 HydrophobicContact CB-CD2 4.35Å; L134-L189 HydrophobicContact CD1-CD2 4.34Å; D187-L189 PolarHBondContact O-N 2.95Å; D187-L189 WeakPolarHBondContact OD1-CB 3.33Å; D187-L189 PolarHBondContact OD1-N 2.85Å; L189-Y192 PolarHBondContact O-N 2.88Å; L189-F193 HydrophobicContact CD1-CD2 4.21Å; L189-F193 HydrophobicContact CD1-CE2 3.57Å; L189-F193 HydrophobicContact CD1-CZ 3.81Å; L189-F193 HydrophobicContact CD2-CE2 3.97Å; L189-F193 HydrophobicContact CG-CD2 3.95Å; L189-F193 HydrophobicContact CG-CE2 3.5Å; L189-F193 VanDerWaalsContact CG-CE2 3.5Å; L189-F193 HydrophobicContact CG-CZ 4.25Å; L189-F193 VanDerWaalsContact O-CD2 3.23Å; L189-F193 WeakPolarHBondContact O-CD2 3.49Å; L189-F193 PolarHBondContact O-N 3.43Å; L189-P454 HydrophobicContact CB-CG 4.19Å; L189-P454 HydrophobicContact CD2-CG 4.12Å; L189-I456 HydrophobicContact CD1-CG1 4.28Å; L189-I456 HydrophobicContact CD1-CG2 4.39Å
190	T	91.7	Very high	89.3	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-45.9	175.9	-52.8	0	0	0	0	111.2	E136 Y139 F140 F185 D187 D188 F193 L194	E136-T190 HydrophobicContact CB-CG2 4.42Å; E136-T190 VanDerWaalsContact OE2-CB 3.26Å; E136-T190 WeakPolarHBondContact OE2-CB 3.24Å; E136-T190 PolarHBondContact OE2-OG1 2.93Å; Y139-T190 HydrophobicContact CD2-CG2 4.4Å; F140-T190 HydrophobicContact CE2-CG2 4Å; F140-T190 HydrophobicContact CZ-CG2 4.1Å; F185-T190 HydrophobicContact CB-CG2 4.26Å; F185-T190 HydrophobicContact CD1-CG2 3.26Å; F185-T190 HydrophobicContact CD2-CG2 4.39Å; F185-T190 HydrophobicContact CE1-CG2 3.49Å; F185-T190 VanDerWaalsContact CE1-CG2 3.49Å; F185-T190 HydrophobicContact CG-CG2 3.74Å; F185-T190 HydrophobicContact CZ-CG2 4.16Å; D187-T190 WeakPolarHBondContact O-CB 3.46Å; D187-T190 PolarHBondContact O-N 3.38Å; D187-T190 VanDerWaalsContact O-N 3.11Å; D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 PolarHBondContact O-N 2.96Å; T190-F193 PolarHBondContact O-N 3.11Å; T190-L194 PolarHBondContact O-N 2.71Å; T190-L194 VanDerWaalsContact O-N 3.13Å
191	R	91.4	Very high	89.2	Confident	29 Å²	29	25.4 Å²	25.4	11%	0.109	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-47.7	173.9	-81.4	-178.2	-85.8	-79.9	-4.6	111.6	F185 D187 D188 F193 L194 C195 L279	F185-R191 HydrophobicContact CB-CG 4.31Å; F185-R191 HydrophobicContact CD2-CG 4.05Å; F185-R191 PolarHBondContact O-NH1 3.01Å; D187-R191 PolarHBondContact O-N 2.87Å; D188-R191 PolarHBondContact O-N 3.04Å; D188-R191 IonicContact OD1-CZ 3.68Å; D188-R191 IonicContact OD1-NE 2.74Å; D188-R191 PolarHBondContact OD1-NE 2.84Å; D188-R191 IonicContact OD1-NH2 2.88Å; D188-R191 PolarHBondContact OD1-NH2 3.43Å; R191-F193 PolarHBondContact O-N 3.01Å; R191-L194 PolarHBondContact O-N 3.22Å; R191-L194 VanDerWaalsContact O-N 3.1Å; R191-C195 PolarHBondContact O-N 2.88Å; R191-C195 PolarHBondContact O-SG 2.85Å; R191-L279 HydrophobicContact CB-CD1 3.92Å; R191-L279 HydrophobicContact CG-CD1 3.89Å
192	Y	91.3	Very high	89.3	Confident	6 Å²	6	22.1 Å²	22.1	2%	0.024	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-43.9	179.5	174.9	-113.5	0	0	0	112.3	D188 L189 L194 C195 L196 I456 R458 V459	D188-Y192 WeakPolarHBondContact O-CB 3.46Å; D188-Y192 PolarHBondContact O-N 3.4Å; L189-Y192 PolarHBondContact O-N 2.88Å; Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.72Å; Y192-C195 WeakPolarHBondContact O-CB 3.24Å; Y192-C195 PolarHBondContact O-N 2.95Å; Y192-L196 HydrophobicContact CD1-CD1 4.24Å; Y192-L196 HydrophobicContact CE1-CD1 3.62Å; Y192-L196 HydrophobicContact CE1-CG 4.28Å; Y192-L196 HydrophobicContact CE2-CD1 4.4Å; Y192-L196 HydrophobicContact CE2-CD2 4.3Å; Y192-L196 HydrophobicContact CE2-CG 4.22Å; Y192-L196 PolarHBondContact O-N 3.03Å; Y192-I456 HydrophobicContact CD1-CG2 3.47Å; Y192-I456 VanDerWaalsContact CD1-CG2 3.47Å; Y192-I456 HydrophobicContact CD2-CG2 4.43Å; Y192-I456 HydrophobicContact CE1-CG2 3.74Å; Y192-I456 HydrophobicContact CG-CG2 3.85Å; Y192-R458 HydrophobicContact CD2-CG 4.49Å; Y192-R458 HydrophobicContact CE2-CG 3.87Å; Y192-R458 WeakPolarHBondContact OH-CA 3.48Å; Y192-V459 PolarHBondContact OH-N 2.82Å
193	F	92.3	Very high	89.2	Confident	3 Å²	3	24.3 Å²	24.3	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-33.4	175.2	-74.9	-46.1	0	0	0	113.1	L106 L132 L134 F140 I175 L189 T190 R191 L196 Q197	L106-F193 HydrophobicContact CB-CD1 4.16Å; L106-F193 HydrophobicContact CD1-CB 3.75Å; L106-F193 HydrophobicContact CD1-CD1 3.97Å; L106-F193 HydrophobicContact CD1-CG 4.09Å; L132-F193 HydrophobicContact CB-CE2 4.45Å; L132-F193 HydrophobicContact CB-CZ 4.49Å; L132-F193 HydrophobicContact CD1-CE2 3.97Å; L132-F193 HydrophobicContact CD1-CZ 3.88Å; L132-F193 HydrophobicContact CD2-CZ 4.07Å; L132-F193 HydrophobicContact CG-CZ 4.36Å; L134-F193 HydrophobicContact CD1-CD2 4.43Å; F140-F193 HydrophobicContact CE1-CB 3.74Å; F140-F193 HydrophobicContact CE1-CD2 4.15Å; F140-F193 HydrophobicContact CE1-CG 4.22Å; F140-F193 HydrophobicContact CZ-CB 3.99Å; F140-F193 HydrophobicContact CZ-CD2 4.15Å; I175-F193 HydrophobicContact CD1-CB 4.45Å; L189-F193 HydrophobicContact CD1-CD2 4.21Å; L189-F193 HydrophobicContact CD1-CE2 3.57Å; L189-F193 HydrophobicContact CD1-CZ 3.81Å; L189-F193 HydrophobicContact CD2-CE2 3.97Å; L189-F193 HydrophobicContact CG-CD2 3.95Å; L189-F193 HydrophobicContact CG-CE2 3.5Å; L189-F193 VanDerWaalsContact CG-CE2 3.5Å; L189-F193 HydrophobicContact CG-CZ 4.25Å; L189-F193 VanDerWaalsContact O-CD2 3.23Å; L189-F193 WeakPolarHBondContact O-CD2 3.49Å; L189-F193 PolarHBondContact O-N 3.43Å; T190-F193 PolarHBondContact O-N 3.11Å; R191-F193 PolarHBondContact O-N 3.01Å; F193-L196 HydrophobicContact CD1-CD1 4.19Å; F193-L196 PolarHBondContact O-N 2.92Å; F193-Q197 PolarHBondContact O-N 3.23Å
194	L	93.1	Very high	88.9	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-37.9	172.9	-174.7	61.2	0	0	0	112.2	I175 Y178 F185 T190 R191 Y192 L196 Q197 L198 L279	I175-L194 HydrophobicContact CD1-CB 3.77Å; I175-L194 HydrophobicContact CD1-CD1 3.74Å; I175-L194 HydrophobicContact CD1-CG 4.36Å; I175-L194 HydrophobicContact CG2-CD1 4.34Å; Y178-L194 HydrophobicContact CD1-CD1 3.7Å; Y178-L194 HydrophobicContact CE1-CD1 3.85Å; F185-L194 HydrophobicContact CE2-CD2 3.62Å; F185-L194 HydrophobicContact CZ-CD2 4.01Å; T190-L194 PolarHBondContact O-N 2.71Å; T190-L194 VanDerWaalsContact O-N 3.13Å; R191-L194 PolarHBondContact O-N 3.22Å; R191-L194 VanDerWaalsContact O-N 3.1Å; Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.72Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.83Å; L194-Q197 PolarHBondContact O-N 2.76Å; L194-L198 HydrophobicContact CD1-CD1 3.91Å; L194-L198 HydrophobicContact CD1-CG 4.01Å; L194-L198 HydrophobicContact CD2-CD1 4.49Å; L194-L198 HydrophobicContact CG-CD1 3.8Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 VanDerWaalsContact O-CG 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.78Å; L194-L279 HydrophobicContact CB-CD2 3.99Å; L194-L279 HydrophobicContact CD2-CD1 4.36Å; L194-L279 HydrophobicContact CD2-CD2 3.74Å; L194-L279 HydrophobicContact CG-CD2 3.59Å
195	C	93.2	Very high	88.6	Confident	10 Å²	10	18.8 Å²	18.8	7%	0.068	10%	0.096	C	C	.	.	H	α-helix	trans	-58.3	-46.5	171.6	-59.5	0	0	0	0	111.1	R191 Y192 R199 F278 L279	R191-C195 PolarHBondContact O-N 2.88Å; R191-C195 PolarHBondContact O-SG 2.85Å; Y192-C195 WeakPolarHBondContact O-CB 3.24Å; Y192-C195 PolarHBondContact O-N 2.95Å; C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 PolarHBondContact O-N 3.22Å; C195-F278 HydrophobicContact CB-CD1 4.03Å; C195-F278 HydrophobicContact CB-CE1 4.24Å; C195-L279 VanDerWaalsContact SG-CG 3.58Å
196	L	91.4	Very high	88.1	Confident	16 Å²	16	23.6 Å²	23.6	8%	0.084	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-44.4	178.8	-69.6	-178.9	0	0	0	113.1	L106 E107 Y192 F193 L194 R199 Q200	L106-L196 HydrophobicContact CB-CB 4.06Å; L106-L196 HydrophobicContact CB-CD1 4.23Å; E107-L196 HydrophobicContact CG-CD1 3.92Å; Y192-L196 HydrophobicContact CD1-CD1 4.24Å; Y192-L196 HydrophobicContact CE1-CD1 3.62Å; Y192-L196 HydrophobicContact CE1-CG 4.28Å; Y192-L196 HydrophobicContact CE2-CD1 4.4Å; Y192-L196 HydrophobicContact CE2-CD2 4.3Å; Y192-L196 HydrophobicContact CE2-CG 4.22Å; Y192-L196 PolarHBondContact O-N 3.03Å; F193-L196 HydrophobicContact CD1-CD1 4.19Å; F193-L196 PolarHBondContact O-N 2.92Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.83Å; L196-R199 PolarHBondContact O-N 2.68Å; L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.88Å; L196-Q200 VanDerWaalsContact O-N 3.08Å
197	Q	91.6	Very high	88	Confident	8 Å²	8	19 Å²	19	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-54.4	176.9	176.9	68.6	77.3	0	0	110.9	L106 I175 Y178 F193 L194 R199 Q200 D201	L106-Q197 HydrophobicContact CD2-CB 3.97Å; I175-Q197 HydrophobicContact CB-CG 4.28Å; I175-Q197 HydrophobicContact CD1-CB 4.12Å; Y178-Q197 HydrophobicContact CE1-CG 4.01Å; Y178-Q197 WeakPolarHBondContact OH-CG 3.25Å; F193-Q197 PolarHBondContact O-N 3.23Å; L194-Q197 PolarHBondContact O-N 2.76Å; Q197-R199 VanDerWaalsContact C-N 3.31Å; Q197-R199 PolarHBondContact O-N 3.03Å; Q197-Q200 WeakPolarHBondContact O-CB 3.39Å; Q197-Q200 PolarHBondContact O-N 3.05Å; Q197-D201 PolarHBondContact NE2-OD1 3.19Å; Q197-D201 PolarHBondContact NE2-OD2 2.74Å; Q197-D201 PolarHBondContact O-N 3.33Å
198	L	92.4	Very high	87.6	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-36.1	-178.4	-65.3	168.5	0	0	0	111.9	Y178 L194 Q200 D201 I202 I207 F278 L279 A282 Y288	Y178-L198 HydrophobicContact CD1-CD2 4.3Å; Y178-L198 HydrophobicContact CE1-CD2 4.1Å; L194-L198 HydrophobicContact CD1-CD1 3.91Å; L194-L198 HydrophobicContact CD1-CG 4.01Å; L194-L198 HydrophobicContact CD2-CD1 4.49Å; L194-L198 HydrophobicContact CG-CD1 3.8Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 VanDerWaalsContact O-CG 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.78Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 2.8Å; L198-D201 PolarHBondContact O-N 2.67Å; L198-D201 VanDerWaalsContact O-N 3.15Å; L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 WeakPolarHBondContact O-CD1 3.48Å; L198-I202 WeakPolarHBondContact O-CG1 3.47Å; L198-I202 PolarHBondContact O-N 2.69Å; L198-I207 HydrophobicContact CD2-CD1 3.8Å; L198-F278 HydrophobicContact CB-CE1 3.97Å; L198-F278 HydrophobicContact CB-CZ 4.38Å; L198-F278 HydrophobicContact CD1-CE1 4.49Å; L198-L279 HydrophobicContact CD1-CD2 3.72Å; L198-A282 HydrophobicContact CD1-CB 3.85Å; L198-Y288 HydrophobicContact CD1-CD2 4.2Å; L198-Y288 HydrophobicContact CD1-CE2 3.86Å; L198-Y288 HydrophobicContact CD2-CD2 3.72Å; L198-Y288 HydrophobicContact CD2-CE2 3.99Å
199	R	91	Very high	87.1	Confident	24 Å²	24	19.7 Å²	19.7	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-42.9	172.4	-176.6	175.6	-179.4	-179.6	3.6	111.3	C195 L196 Q197 I202 I203 D225 I243 F278 T461	C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 PolarHBondContact O-N 3.22Å; L196-R199 PolarHBondContact O-N 2.68Å; Q197-R199 VanDerWaalsContact C-N 3.31Å; Q197-R199 PolarHBondContact O-N 3.03Å; R199-I202 PolarHBondContact O-N 2.87Å; R199-I203 HydrophobicContact CG-CD1 3.72Å; R199-I203 WeakPolarHBondContact O-CB 3.31Å; R199-I203 VanDerWaalsContact O-CD1 3.27Å; R199-I203 WeakPolarHBondContact O-CD1 3.45Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 2.96Å; R199-D225 IonicContact CZ-OD2 3.82Å; R199-D225 VanDerWaalsContact CZ-OD2 3.22Å; R199-D225 IonicContact NH1-OD1 2.67Å; R199-D225 IonicContact NH1-OD2 2.9Å; R199-D225 PolarHBondContact NH1-OD2 3.13Å; R199-D225 IonicContact NH2-OD2 3.89Å; R199-D225 PolarHBondContact NH2-OD2 2.87Å; R199-I243 VanDerWaalsContact NH2-CG2 3.32Å; R199-F278 HydrophobicContact CB-CZ 4.22Å; R199-T461 VanDerWaalsContact NH2-CG2 3.33Å; R199-T461 PolarHBondContact NH2-OG1 2.88Å
200	Q	86.2	Confident	86.9	Confident	44 Å²	44	21.9 Å²	21.9	21%	0.206	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-42.7	172	-68.2	-167.4	49	0	0	112	Y44 L106 L196 Q197 L198 I202 S204	Y44-Q200 PolarHBondContact OH-OE1 3.27Å; Y44-Q200 VanDerWaalsContact OH-OE1 3.05Å; L106-Q200 PolarHBondContact O-NE2 3.12Å; L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.88Å; L196-Q200 VanDerWaalsContact O-N 3.08Å; Q197-Q200 WeakPolarHBondContact O-CB 3.39Å; Q197-Q200 PolarHBondContact O-N 3.05Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 2.8Å; Q200-I202 VanDerWaalsContact C-N 3.3Å; Q200-I202 PolarHBondContact O-N 3.37Å; Q200-S204 VanDerWaalsContact O-CB 3.22Å; Q200-S204 WeakPolarHBondContact O-CB 3.25Å; Q200-S204 PolarHBondContact O-N 2.99Å; Q200-S204 PolarHBondContact O-OG 2.83Å
201	D	85.5	Confident	86.7	Confident	11 Å²	11	25.6 Å²	25.6	6%	0.059	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-29.7	-179	-56.5	-20.2	0	0	0	112.6	Q197 L198 S204 G205 Q206 I207	Q197-D201 PolarHBondContact NE2-OD1 3.19Å; Q197-D201 PolarHBondContact NE2-OD2 2.74Å; Q197-D201 PolarHBondContact O-N 3.33Å; L198-D201 PolarHBondContact O-N 2.67Å; L198-D201 VanDerWaalsContact O-N 3.15Å; D201-S204 WeakPolarHBondContact CA-OG 3.5Å; D201-S204 PolarHBondContact O-OG 2.91Å; D201-G205 CarbonylContact O-C 3.57Å; D201-G205 WeakPolarHBondContact O-CA 3.31Å; D201-G205 PolarHBondContact O-N 3.24Å; D201-G205 VanDerWaalsContact O-N 3.09Å; D201-Q206 HydrophobicContact CB-CB 4.46Å; D201-Q206 PolarHBondContact O-N 3.33Å; D201-I207 HydrophobicContact CB-CD1 3.77Å; D201-I207 HydrophobicContact CB-CG1 3.98Å; D201-I207 PolarHBondContact O-N 3.47Å
202	I	87.4	Confident	86.5	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-80.5	-44.9	176.7	-69.1	162.5	0	0	0	111.5	L198 R199 Q200 G205 I207 Y214 L217 F278 L285	L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 WeakPolarHBondContact O-CD1 3.48Å; L198-I202 WeakPolarHBondContact O-CG1 3.47Å; L198-I202 PolarHBondContact O-N 2.69Å; R199-I202 PolarHBondContact O-N 2.87Å; Q200-I202 VanDerWaalsContact C-N 3.3Å; Q200-I202 PolarHBondContact O-N 3.37Å; I202-G205 VanDerWaalsContact O-CA 3.25Å; I202-G205 WeakPolarHBondContact O-CA 3.35Å; I202-G205 PolarHBondContact O-N 3.35Å; I202-I207 HydrophobicContact CG1-CB 4.22Å; I202-Y214 HydrophobicContact CG2-CD1 3.79Å; I202-Y214 HydrophobicContact CG2-CE1 3.63Å; I202-L217 HydrophobicContact CD1-CD1 3.74Å; I202-F278 HydrophobicContact CD1-CZ 4.15Å; I202-L285 HydrophobicContact CD1-CD1 4.08Å; I202-L285 HydrophobicContact CG1-CD1 4.39Å
203	I	87.6	Confident	86.4	Confident	47 Å²	47	28.7 Å²	28.7	24%	0.241	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-41.8	176.8	-65.9	160.3	0	0	0	110.6	R199 G205 P244 P247	R199-I203 HydrophobicContact CG-CD1 3.72Å; R199-I203 WeakPolarHBondContact O-CB 3.31Å; R199-I203 VanDerWaalsContact O-CD1 3.27Å; R199-I203 WeakPolarHBondContact O-CD1 3.45Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 2.96Å; I203-G205 PolarHBondContact O-N 2.87Å; I203-P244 HydrophobicContact CD1-CB 3.95Å; I203-P244 HydrophobicContact CD1-CG 3.89Å; I203-P244 VanDerWaalsContact CD1-O 3.26Å; I203-P244 WeakPolarHBondContact CD1-O 3.5Å; I203-P244 HydrophobicContact CG1-CB 4.14Å; I203-P244 HydrophobicContact CG2-CB 3.89Å; I203-P247 WeakPolarHBondContact O-CA 3.14Å
204	S	78.4	Confident	86.4	Confident	22 Å²	22	29 Å²	29	15%	0.154	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.8	169.3	68.7	0	0	0	0	112.7	R48 Q200 D201 Q206	R48-S204 PolarHBondContact NE-O 2.8Å; R48-S204 VanDerWaalsContact NH2-C 3.32Å; R48-S204 PolarHBondContact NH2-O 3.43Å; Q200-S204 VanDerWaalsContact O-CB 3.22Å; Q200-S204 WeakPolarHBondContact O-CB 3.25Å; Q200-S204 PolarHBondContact O-N 2.99Å; Q200-S204 PolarHBondContact O-OG 2.83Å; D201-S204 WeakPolarHBondContact CA-OG 3.5Å; D201-S204 PolarHBondContact O-OG 2.91Å; S204-Q206 PolarHBondContact O-N 3.4Å
205	G	78.2	Confident	86.4	Confident	21 Å²	21	29.2 Å²	29.2	22%	0.216	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	37.8	-178.6	0	0	0	0	0	114	R48 D201 I202 I203	R48-G205 VanDerWaalsContact NH2-CA 3.29Å; D201-G205 CarbonylContact O-C 3.57Å; D201-G205 WeakPolarHBondContact O-CA 3.31Å; D201-G205 PolarHBondContact O-N 3.24Å; D201-G205 VanDerWaalsContact O-N 3.09Å; I202-G205 VanDerWaalsContact O-CA 3.25Å; I202-G205 WeakPolarHBondContact O-CA 3.35Å; I202-G205 PolarHBondContact O-N 3.35Å; I203-G205 PolarHBondContact O-N 2.87Å
206	Q	77.8	Confident	86.3	Confident	108 Å²	108	29.8 Å²	29.8	51%	0.505	16%	0.162	S	C	.	.	S	Bend	trans	-65.1	-32.9	157.3	176.7	174.5	-42.7	0	0	109.4	D201 S204	D201-Q206 HydrophobicContact CB-CB 4.46Å; D201-Q206 PolarHBondContact O-N 3.33Å; S204-Q206 PolarHBondContact O-N 3.4Å
207	I	82.8	Confident	86.4	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-106.6	101.4	165.9	-54.7	173.4	0	0	0	108.2	L198 D201 I202 L285 L287	L198-I207 HydrophobicContact CD2-CD1 3.8Å; D201-I207 HydrophobicContact CB-CD1 3.77Å; D201-I207 HydrophobicContact CB-CG1 3.98Å; D201-I207 PolarHBondContact O-N 3.47Å; I202-I207 HydrophobicContact CG1-CB 4.22Å; I207-L285 HydrophobicContact CG2-CB 3.64Å; I207-L285 HydrophobicContact CG2-CD1 3.6Å; I207-L285 HydrophobicContact CG2-CG 4.12Å; I207-L287 HydrophobicContact CG1-CB 4.39Å; I207-L287 HydrophobicContact CG2-CB 4.44Å
208	P	78.1	Confident	86.5	Confident	35 Å²	35	29 Å²	29	23%	0.227	16%	0.159	C	C	.	.			trans	-73.3	133.8	175.6	30.9	-32.2	0	0	0	110	L287 P489	P208-L287 VanDerWaalsContact CD-CD1 3.46Å; P208-L287 HydrophobicContact CG-CD1 4.05Å; P208-P489 HydrophobicContact CB-CG 4.45Å; P208-P489 HydrophobicContact CG-CG 3.93Å
209	C	78.3	Confident	86.5	Confident	9 Å²	9	29 Å²	29	6%	0.061	16%	0.159	C	C	.	.			trans	-113.2	160.4	178.4	-61.9	0	0	0	0	111.2	T213 Y214	C209-T213 HydrophobicContact CB-CG2 4.31Å; C209-Y214 HydrophobicContact CB-CD1 3.85Å; C209-Y214 HydrophobicContact CB-CD2 3.92Å; C209-Y214 HydrophobicContact CB-CE1 3.72Å; C209-Y214 HydrophobicContact CB-CE2 3.79Å; C209-Y214 HydrophobicContact CB-CG 3.94Å; C209-Y214 PolarHBondContact N-OH 2.8Å; C209-Y214 WeakPolarHBondContact O-CE2 3.3Å
210	S	86.1	Confident	86.7	Confident	58 Å²	58	28.1 Å²	28.1	41%	0.406	16%	0.156	S	C	.	.			trans	-71.3	161.2	164.3	85.6	0	0	0	0	110.5	H212 T213 Y214	S210-H212 VanDerWaalsContact C-N 3.34Å; S210-H212 PolarHBondContact O-N 2.9Å; S210-H212 PolarHBondContact OG-N 3.33Å; S210-T213 PolarHBondContact O-N 2.78Å; S210-T213 VanDerWaalsContact O-N 3.11Å; S210-T213 WeakPolarHBondContact OG-CB 3.48Å; S210-T213 PolarHBondContact OG-N 2.94Å; S210-T213 PolarHBondContact OG-OG1 2.87Å; S210-Y214 WeakPolarHBondContact O-CD2 3.36Å; S210-Y214 PolarHBondContact O-N 2.67Å
211	H	86.4	Confident	87	Confident	80 Å²	80	26.5 Å²	26.5	37%	0.37	15%	0.149	S	C	.	.	H	α-helix	trans	-54.2	-49.1	174	178.7	86.2	0	0	0	111.9	T213 Y214 V215 Q258	H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 PolarHBondContact O-N 2.92Å; H211-Y214 PolarHBondContact O-N 3.45Å; H211-V215 WeakPolarHBondContact O-CG2 3.03Å; H211-V215 PolarHBondContact O-N 3.05Å; H211-V215 VanDerWaalsContact O-N 3.12Å; H211-Q258 PolarHBondContact NE2-OE1 2.81Å
212	H	88.2	Confident	87.3	Confident	66 Å²	66	26 Å²	26	31%	0.306	15%	0.146	S	C	.	.	H	α-helix	trans	-59.5	-40	176.9	-179.8	87.4	0	0	0	111.7	S210 V215 V216 P529	S210-H212 VanDerWaalsContact C-N 3.34Å; S210-H212 PolarHBondContact O-N 2.9Å; S210-H212 PolarHBondContact OG-N 3.33Å; H212-V215 WeakPolarHBondContact O-CB 3.14Å; H212-V215 PolarHBondContact O-N 3.02Å; H212-V216 WeakPolarHBondContact O-CG2 3.45Å; H212-V216 PolarHBondContact O-N 2.86Å; H212-P529 HydrophobicContact CB-CG 4.19Å
213	T	88.7	Confident	87.5	Confident	34 Å²	34	25.9 Å²	25.9	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-36.3	179.1	-44.3	0	0	0	0	112.8	C209 S210 H211 V215 V216 L217 L285	C209-T213 HydrophobicContact CB-CG2 4.31Å; S210-T213 PolarHBondContact O-N 2.78Å; S210-T213 VanDerWaalsContact O-N 3.11Å; S210-T213 WeakPolarHBondContact OG-CB 3.48Å; S210-T213 PolarHBondContact OG-N 2.94Å; S210-T213 PolarHBondContact OG-OG1 2.87Å; H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 PolarHBondContact O-N 2.92Å; T213-V215 VanDerWaalsContact C-N 3.31Å; T213-V215 PolarHBondContact O-N 3.37Å; T213-V216 PolarHBondContact O-N 2.72Å; T213-L217 HydrophobicContact CG2-CD1 3.87Å; T213-L217 HydrophobicContact CG2-CG 4.27Å; T213-L217 WeakPolarHBondContact O-CB 3.33Å; T213-L217 WeakPolarHBondContact O-CG 3.19Å; T213-L217 PolarHBondContact O-N 3.06Å; T213-L285 HydrophobicContact CG2-CD2 3.9Å
214	Y	91.1	Very high	87.6	Confident	10 Å²	10	24 Å²	24	4%	0.039	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-39	170.1	-70.9	-68.9	0	0	0	111.6	I202 C209 S210 H211 G218 A246 P247 L250 M255	I202-Y214 HydrophobicContact CG2-CD1 3.79Å; I202-Y214 HydrophobicContact CG2-CE1 3.63Å; C209-Y214 HydrophobicContact CB-CD1 3.85Å; C209-Y214 HydrophobicContact CB-CD2 3.92Å; C209-Y214 HydrophobicContact CB-CE1 3.72Å; C209-Y214 HydrophobicContact CB-CE2 3.79Å; C209-Y214 HydrophobicContact CB-CG 3.94Å; C209-Y214 PolarHBondContact N-OH 2.8Å; C209-Y214 WeakPolarHBondContact O-CE2 3.3Å; S210-Y214 WeakPolarHBondContact O-CD2 3.36Å; S210-Y214 PolarHBondContact O-N 2.67Å; H211-Y214 PolarHBondContact O-N 3.45Å; Y214-G218 WeakPolarHBondContact O-CA 3.34Å; Y214-G218 PolarHBondContact O-N 3.13Å; Y214-A246 HydrophobicContact CD1-CB 3.53Å; Y214-A246 HydrophobicContact CD2-CB 4.3Å; Y214-A246 HydrophobicContact CE1-CB 3.74Å; Y214-A246 HydrophobicContact CE2-CB 4.48Å; Y214-A246 HydrophobicContact CG-CB 3.85Å; Y214-P247 WeakPolarHBondContact OH-CD 3.24Å; Y214-L250 HydrophobicContact CE2-CD1 4.02Å; Y214-M255 HydrophobicContact CD2-CE 3.98Å; Y214-M255 HydrophobicContact CG-CE 4.06Å
215	V	93.1	Very high	88	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-49.2	176.8	175.6	0	0	0	0	110.9	H211 H212 T213 G218 A219 M255 Q258 I259 L262	H211-V215 WeakPolarHBondContact O-CG2 3.03Å; H211-V215 PolarHBondContact O-N 3.05Å; H211-V215 VanDerWaalsContact O-N 3.12Å; H212-V215 WeakPolarHBondContact O-CB 3.14Å; H212-V215 PolarHBondContact O-N 3.02Å; T213-V215 VanDerWaalsContact C-N 3.31Å; T213-V215 PolarHBondContact O-N 3.37Å; V215-G218 PolarHBondContact O-N 3.27Å; V215-A219 WeakPolarHBondContact O-CB 3.22Å; V215-A219 PolarHBondContact O-N 2.86Å; V215-M255 HydrophobicContact CG2-CB 4.47Å; V215-M255 HydrophobicContact CG2-CG 3.74Å; V215-Q258 HydrophobicContact CG1-CB 3.57Å; V215-Q258 HydrophobicContact CG2-CB 4.02Å; V215-I259 HydrophobicContact CB-CG1 4.3Å; V215-I259 HydrophobicContact CG1-CG1 4.04Å; V215-I259 HydrophobicContact CG2-CG1 4.5Å; V215-L262 HydrophobicContact CG1-CD1 3.65Å; V215-L262 HydrophobicContact CG1-CG 3.86Å
216	V	92.8	Very high	88.4	Confident	22 Å²	22	25.5 Å²	25.5	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-48.2	179.2	171.8	0	0	0	0	111.9	H212 T213 G218 A219 Y220 L262	H212-V216 WeakPolarHBondContact O-CG2 3.45Å; H212-V216 PolarHBondContact O-N 2.86Å; T213-V216 PolarHBondContact O-N 2.72Å; V216-G218 VanDerWaalsContact C-N 3.32Å; V216-G218 PolarHBondContact O-N 2.69Å; V216-A219 PolarHBondContact O-N 3.11Å; V216-Y220 HydrophobicContact CG1-CD2 4.14Å; V216-Y220 HydrophobicContact CG1-CE2 3.71Å; V216-Y220 WeakPolarHBondContact O-CD2 3.47Å; V216-Y220 PolarHBondContact O-N 2.87Å; V216-L262 HydrophobicContact CB-CD1 4.34Å; V216-L262 HydrophobicContact CG2-CD1 3.81Å
217	L	93.2	Very high	88.9	Confident	5 Å²	5	21.3 Å²	21.3	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-33.5	178.3	-66.7	175.9	0	0	0	111.9	I202 T213 V221 F278 N281 A282 L285	I202-L217 HydrophobicContact CD1-CD1 3.74Å; T213-L217 HydrophobicContact CG2-CD1 3.87Å; T213-L217 HydrophobicContact CG2-CG 4.27Å; T213-L217 WeakPolarHBondContact O-CB 3.33Å; T213-L217 WeakPolarHBondContact O-CG 3.19Å; T213-L217 PolarHBondContact O-N 3.06Å; L217-V221 WeakPolarHBondContact O-CB 3.4Å; L217-V221 WeakPolarHBondContact O-CG2 3.05Å; L217-V221 PolarHBondContact O-N 3.01Å; L217-V221 VanDerWaalsContact O-N 3.11Å; L217-F278 HydrophobicContact CB-CD2 4.05Å; L217-F278 HydrophobicContact CB-CE2 3.86Å; L217-F278 HydrophobicContact CD2-CD2 3.75Å; L217-F278 HydrophobicContact CD2-CE2 4.03Å; L217-F278 HydrophobicContact CD2-CG 4.17Å; L217-F278 WeakPolarHBondContact CD2-O 3.49Å; L217-F278 HydrophobicContact CG-CD2 4.49Å; L217-F278 HydrophobicContact CG-CE2 4.42Å; L217-N281 HydrophobicContact CD2-CB 3.62Å; L217-A282 HydrophobicContact CD2-CB 4.27Å; L217-L285 HydrophobicContact CD1-CD1 4.04Å
218	G	92.5	Very high	89.2	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-38.9	171.9	0	0	0	0	0	112.9	Y214 V215 V216 V221 V222 F245	Y214-G218 WeakPolarHBondContact O-CA 3.34Å; Y214-G218 PolarHBondContact O-N 3.13Å; V215-G218 PolarHBondContact O-N 3.27Å; V216-G218 VanDerWaalsContact C-N 3.32Å; V216-G218 PolarHBondContact O-N 2.69Å; G218-V221 WeakPolarHBondContact O-CB 3.19Å; G218-V221 PolarHBondContact O-N 2.88Å; G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 3.03Å; G218-F245 VanDerWaalsContact CA-CD1 3.44Å
219	A	93.7	Very high	89.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-44.7	178.7	0	0	0	0	0	113	V215 V216 V221 V222 Q223 L262 H266	V215-A219 WeakPolarHBondContact O-CB 3.22Å; V215-A219 PolarHBondContact O-N 2.86Å; V216-A219 PolarHBondContact O-N 3.11Å; A219-V221 VanDerWaalsContact C-N 3.32Å; A219-V221 PolarHBondContact O-N 3.42Å; A219-V222 PolarHBondContact O-N 3.41Å; A219-Q223 PolarHBondContact O-N 2.86Å; A219-L262 HydrophobicContact CB-CB 3.32Å; A219-L262 HydrophobicContact CB-CD1 3.91Å; A219-L262 HydrophobicContact CB-CG 4.24Å; A219-H266 WeakPolarHBondContact CB-NE2 3.49Å
220	Y	94.4	Very high	90.1	Very high	6 Å²	6	27.1 Å²	27.1	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-39	172.5	-71.5	-63.3	0	0	0	112.4	V216 Q223 S224 H266 F278 N281	V216-Y220 HydrophobicContact CG1-CD2 4.14Å; V216-Y220 HydrophobicContact CG1-CE2 3.71Å; V216-Y220 WeakPolarHBondContact O-CD2 3.47Å; V216-Y220 PolarHBondContact O-N 2.87Å; Y220-Q223 PolarHBondContact O-N 3.24Å; Y220-S224 WeakPolarHBondContact O-CB 3.22Å; Y220-S224 PolarHBondContact O-N 3.01Å; Y220-H266 AromaticContact CE1-CE1 3.41Å; Y220-H266 VanDerWaalsContact CE1-CE1 3.41Å; Y220-H266 WeakPolarHBondContact CE1-CE1 3.35Å; Y220-H266 AromaticContact CE1-ND1 3.76Å; Y220-H266 AromaticContact CZ-CE1 3.49Å; Y220-H266 VanDerWaalsContact CZ-CE1 3.49Å; Y220-F278 HydrophobicContact CG-CB 4.41Å; Y220-N281 WeakPolarHBondContact CE2-ND2 3.45Å
221	V	92	Very high	90	Very high	10 Å²	10	28 Å²	28	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-42.9	173.5	159.1	0	0	0	0	111.7	L217 G218 A219 S224 D225 I243 F245 F278	L217-V221 WeakPolarHBondContact O-CB 3.4Å; L217-V221 WeakPolarHBondContact O-CG2 3.05Å; L217-V221 PolarHBondContact O-N 3.01Å; L217-V221 VanDerWaalsContact O-N 3.11Å; G218-V221 WeakPolarHBondContact O-CB 3.19Å; G218-V221 PolarHBondContact O-N 2.88Å; A219-V221 VanDerWaalsContact C-N 3.32Å; A219-V221 PolarHBondContact O-N 3.42Å; V221-S224 PolarHBondContact O-N 2.9Å; V221-D225 WeakPolarHBondContact O-CB 3.43Å; V221-D225 PolarHBondContact O-N 2.94Å; V221-I243 HydrophobicContact CG1-CG2 4.49Å; V221-F245 HydrophobicContact CB-CE1 4.36Å; V221-F245 HydrophobicContact CG1-CD1 4.24Å; V221-F245 HydrophobicContact CG1-CE1 3.83Å; V221-F278 HydrophobicContact CG2-CD2 3.81Å; V221-F278 HydrophobicContact CG2-CE2 3.67Å
222	V	92.2	Very high	89.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-46.8	177.6	177	0	0	0	0	110.7	G218 A219 S224 D225 A226 Y239 I240 F245 I259 H263	G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 3.03Å; A219-V222 PolarHBondContact O-N 3.41Å; V222-S224 PolarHBondContact O-N 2.82Å; V222-D225 PolarHBondContact O-N 2.91Å; V222-A226 HydrophobicContact CG1-CB 4.34Å; V222-A226 WeakPolarHBondContact O-CA 3.27Å; V222-A226 VanDerWaalsContact O-CB 3.26Å; V222-A226 WeakPolarHBondContact O-CB 3.13Å; V222-A226 PolarHBondContact O-N 3.04Å; V222-Y239 HydrophobicContact CG1-CE2 3.75Å; V222-I240 HydrophobicContact CG1-CG2 3.96Å; V222-I240 HydrophobicContact CG2-CB 4.49Å; V222-I240 HydrophobicContact CG2-CG2 3.63Å; V222-F245 HydrophobicContact CG2-CE1 3.68Å; V222-F245 HydrophobicContact CG2-CZ 3.52Å; V222-I259 HydrophobicContact CG2-CG2 3.78Å; V222-H263 HydrophobicContact CG1-CB 4.2Å
223	Q	92.2	Very high	89.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-34.5	175.4	-175.8	71.4	28.7	0	0	111.8	A219 Y220 G227 D228 H266 Q269 A274	A219-Q223 PolarHBondContact O-N 2.86Å; Y220-Q223 PolarHBondContact O-N 3.24Å; Q223-G227 WeakPolarHBondContact O-CA 3.23Å; Q223-G227 PolarHBondContact O-N 3.38Å; Q223-G227 VanDerWaalsContact O-N 3.1Å; Q223-G227 PolarHBondContact OE1-O 2.95Å; Q223-D228 PolarHBondContact NE2-OD1 3.02Å; Q223-H266 HydrophobicContact CB-CB 4.15Å; Q223-H266 HydrophobicContact CG-CB 3.93Å; Q223-H266 PolarHBondContact NE2-O 2.98Å; Q223-Q269 HydrophobicContact CG-CB 4.29Å; Q223-Q269 PolarHBondContact NE2-O 2.74Å; Q223-A274 HydrophobicContact CB-CB 4.08Å; Q223-A274 HydrophobicContact CG-CB 3.85Å
224	S	90.1	Very high	89.5	Confident	8 Å²	8	30.8 Å²	30.8	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-91.1	-12.1	-177.3	98.5	0	0	0	0	115.9	Y220 V221 V222 D275 R458	Y220-S224 WeakPolarHBondContact O-CB 3.22Å; Y220-S224 PolarHBondContact O-N 3.01Å; V221-S224 PolarHBondContact O-N 2.9Å; V222-S224 PolarHBondContact O-N 2.82Å; S224-D275 VanDerWaalsContact CB-OD1 3.3Å; S224-D275 WeakPolarHBondContact CB-OD1 3.44Å; S224-D275 PolarHBondContact OG-OD1 2.97Å; S224-D275 VanDerWaalsContact OG-OD1 3.05Å; S224-R458 VanDerWaalsContact CB-NH1 3.33Å; S224-R458 WeakPolarHBondContact O-CD 3.3Å; S224-R458 PolarHBondContact O-NH1 3.01Å; S224-R458 VanDerWaalsContact O-NH1 3.13Å; S224-R458 PolarHBondContact OG-NH1 3.24Å
225	D	86.3	Confident	89	Confident	25 Å²	25	36 Å²	36	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-101.6	-30.6	171.6	-80.5	-21.2	0	0	0	113.3	R199 V221 V222	R199-D225 IonicContact CZ-OD2 3.82Å; R199-D225 VanDerWaalsContact CZ-OD2 3.22Å; R199-D225 IonicContact NH1-OD1 2.67Å; R199-D225 IonicContact NH1-OD2 2.9Å; R199-D225 PolarHBondContact NH1-OD2 3.13Å; R199-D225 IonicContact NH2-OD2 3.89Å; R199-D225 PolarHBondContact NH2-OD2 2.87Å; V221-D225 WeakPolarHBondContact O-CB 3.43Å; V221-D225 PolarHBondContact O-N 2.94Å; V222-D225 PolarHBondContact O-N 2.91Å
226	A	85.9	Confident	88.5	Confident	50 Å²	50	38 Å²	38	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-112.4	-22.9	-173.7	0	0	0	0	0	114.8	V222	V222-A226 HydrophobicContact CG1-CB 4.34Å; V222-A226 WeakPolarHBondContact O-CA 3.27Å; V222-A226 VanDerWaalsContact O-CB 3.26Å; V222-A226 WeakPolarHBondContact O-CB 3.13Å; V222-A226 PolarHBondContact O-N 3.04Å
227	G	87.9	Confident	88.1	Confident	20 Å²	20	38.4 Å²	38.4	21%	0.206	23%	0.233	C	C	.	.			trans	86.2	-150.5	-170.8	0	0	0	0	0	112.1	Q223 H263	Q223-G227 WeakPolarHBondContact O-CA 3.23Å; Q223-G227 PolarHBondContact O-N 3.38Å; Q223-G227 VanDerWaalsContact O-N 3.1Å; Q223-G227 PolarHBondContact OE1-O 2.95Å; G227-H263 PolarHBondContact O-NE2 3.25Å
228	D	89.7	Confident	87.7	Confident	67 Å²	67	43.9 Å²	43.9	36%	0.358	26%	0.262	S	S	.	.	S	Bend	trans	-72.6	149.8	-179.1	-83.2	-1.5	0	0	0	113.5	Q223 D230 H234 K267 G268	Q223-D228 PolarHBondContact NE2-OD1 3.02Å; D228-D230 PolarHBondContact O-N 3.21Å; D228-H234 PolarHBondContact O-CE1 3.08Å; D228-K267 HydrophobicContact CB-CG 4.23Å; D228-K267 WeakPolarHBondContact OD1-CA 3.17Å; D228-K267 WeakPolarHBondContact OD2-CG 3.42Å; D228-G268 VanDerWaalsContact CG-N 3.34Å; D228-G268 PolarHBondContact OD1-N 3.01Å; D228-G268 PolarHBondContact OD2-N 3.19Å
229	Y	88	Confident	87.4	Confident	38 Å²	38	46.1 Å²	46.1	15%	0.149	27%	0.27	C	S	.	.			trans	-65	98.6	169.5	-173.6	-94.2	0	0	0	112.6	P231 H234 V260 H263 K264	Y229-P231 HydrophobicContact CD1-CG 4.31Å; Y229-P231 HydrophobicContact CE1-CB 4.26Å; Y229-P231 HydrophobicContact CE1-CG 3.89Å; Y229-H234 HydrophobicContact CD2-CB 3.56Å; Y229-H234 HydrophobicContact CE2-CB 3.35Å; Y229-H234 VanDerWaalsContact CE2-O 3.24Å; Y229-H234 WeakPolarHBondContact CE2-O 3.46Å; Y229-H234 PolarHBondContact OH-O 2.89Å; Y229-V260 HydrophobicContact CE2-CG1 4.01Å; Y229-H263 AromaticContact CD2-CE1 3.91Å; Y229-H263 AromaticContact CD2-ND1 3.52Å; Y229-K264 HydrophobicContact CD1-CG 3.63Å; Y229-K264 HydrophobicContact CD2-CG 4.01Å; Y229-K264 HydrophobicContact CE1-CD 4.38Å; Y229-K264 HydrophobicContact CE1-CG 3.77Å; Y229-K264 HydrophobicContact CE2-CG 4.14Å; Y229-K264 HydrophobicContact CG-CG 3.76Å
230	D	87.1	Confident	87.2	Confident	62 Å²	62	46.1 Å²	46.1	33%	0.332	27%	0.27	S	S	.	.			trans	-87.4	119.3	158	179.4	9.1	0	0	0	111.4	D228 N232 T233 H234	D228-D230 PolarHBondContact O-N 3.21Å; D230-N232 PolarHBondContact O-N 3.45Å; D230-N232 WeakPolarHBondContact OD1-CB 3.47Å; D230-N232 PolarHBondContact OD1-N 3.4Å; D230-N232 PolarHBondContact OD1-ND2 3.11Å; D230-T233 PolarHBondContact O-N 3.32Å; D230-T233 PolarHBondContact O-OG1 2.74Å; D230-H234 PolarHBondContact N-ND1 2.66Å; D230-H234 WeakPolarHBondContact O-CB 3.41Å; D230-H234 PolarHBondContact O-N 3.37Å; D230-H234 PolarHBondContact O-ND1 2.93Å
231	P	84.8	Confident	86.7	Confident	78 Å²	78	47.7 Å²	47.7	51%	0.506	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	174.2	-23.4	32.3	0	0	0	115.1	Y229	Y229-P231 HydrophobicContact CD1-CG 4.31Å; Y229-P231 HydrophobicContact CE1-CB 4.26Å; Y229-P231 HydrophobicContact CE1-CG 3.89Å
232	N	83.3	Confident	86.1	Confident	133 Å²	133	52 Å²	52	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.5	-178.3	-58.1	-79.3	0	0	0	112.7	D230	D230-N232 PolarHBondContact O-N 3.45Å; D230-N232 WeakPolarHBondContact OD1-CB 3.47Å; D230-N232 PolarHBondContact OD1-N 3.4Å; D230-N232 PolarHBondContact OD1-ND2 3.11Å
233	T	82.7	Confident	85.7	Confident	85 Å²	85	53 Å²	53	52%	0.521	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-24.7	-179.6	60.6	0	0	0	0	113.3	D230	D230-T233 PolarHBondContact O-N 3.32Å; D230-T233 PolarHBondContact O-OG1 2.74Å
234	H	86.7	Confident	85.4	Confident	20 Å²	20	55.6 Å²	55.6	9%	0.093	33%	0.329	C	S	.	.			trans	-109.4	57.5	-172.1	-55.8	131.3	0	0	0	111.8	D228 Y229 D230 Y239 H263	D228-H234 PolarHBondContact O-CE1 3.08Å; Y229-H234 HydrophobicContact CD2-CB 3.56Å; Y229-H234 HydrophobicContact CE2-CB 3.35Å; Y229-H234 VanDerWaalsContact CE2-O 3.24Å; Y229-H234 WeakPolarHBondContact CE2-O 3.46Å; Y229-H234 PolarHBondContact OH-O 2.89Å; D230-H234 PolarHBondContact N-ND1 2.66Å; D230-H234 WeakPolarHBondContact O-CB 3.41Å; D230-H234 PolarHBondContact O-N 3.37Å; D230-H234 PolarHBondContact O-ND1 2.93Å; H234-Y239 HydrophobicContact CB-CD1 3.88Å; H234-Y239 HydrophobicContact CB-CD2 4.16Å; H234-Y239 HydrophobicContact CB-CE1 3.72Å; H234-Y239 HydrophobicContact CB-CE2 3.98Å; H234-Y239 HydrophobicContact CB-CG 4.13Å; H234-Y239 AromaticContact CD2-CD2 3.23Å; H234-Y239 WeakPolarHBondContact CD2-CD2 3.4Å; H234-Y239 AromaticContact CD2-CE2 3.57Å; H234-Y239 AromaticContact CD2-CG 3.68Å; H234-Y239 AromaticContact CG-CD2 3.87Å; H234-Y239 AromaticContact CG-CE2 3.8Å; H234-H263 AromaticContact ND1-CE1 3.93Å
235	I	80.7	Confident	85.4	Confident	119 Å²	119	55.8 Å²	55.8	61%	0.61	33%	0.329	S	S	*	.			trans	-78.3	129.6	178.5	-57.1	175.2	0	0	0	109.4
236	G	81.8	Confident	85.4	Confident	46 Å²	46	54.7 Å²	54.7	47%	0.474	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-143.6	177.1	0	0	0	0	0	113.4	Y239	G236-Y239 WeakPolarHBondContact O-CE1 3.29Å
237	T	85.7	Confident	85.3	Confident	29 Å²	29	52.5 Å²	52.5	18%	0.178	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.4	175.5	45	0	0	0	0	113.5	Y239 I240 A241 L256 Q257 V260	T237-Y239 VanDerWaalsContact C-N 3.3Å; T237-Y239 PolarHBondContact O-N 3.18Å; T237-I240 CarbonylContact O-C 3.59Å; T237-I240 WeakPolarHBondContact O-CG1 3.45Å; T237-I240 PolarHBondContact O-N 2.9Å; T237-A241 PolarHBondContact O-N 2.76Å; T237-L256 HydrophobicContact CG2-CB 3.76Å; T237-Q257 HydrophobicContact CG2-CG 4Å; T237-V260 HydrophobicContact CG2-CG2 4.11Å
238	D	83.7	Confident	85	Confident	120 Å²	120	57.5 Å²	57.5	64%	0.642	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-31.5	-162.3	-59.7	-12.6	0	0	0	112.9	I240 N242	D238-I240 PolarHBondContact O-N 3.32Å; D238-N242 PolarHBondContact O-ND2 2.83Å
239	Y	87.1	Confident	84.5	Confident	50 Å²	50	60.9 Å²	60.9	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.9	175.9	79.9	-78.6	0	0	0	113.4	V222 H234 G236 T237 V260 H263	V222-Y239 HydrophobicContact CG1-CE2 3.75Å; H234-Y239 HydrophobicContact CB-CD1 3.88Å; H234-Y239 HydrophobicContact CB-CD2 4.16Å; H234-Y239 HydrophobicContact CB-CE1 3.72Å; H234-Y239 HydrophobicContact CB-CE2 3.98Å; H234-Y239 HydrophobicContact CB-CG 4.13Å; H234-Y239 AromaticContact CD2-CD2 3.23Å; H234-Y239 WeakPolarHBondContact CD2-CD2 3.4Å; H234-Y239 AromaticContact CD2-CE2 3.57Å; H234-Y239 AromaticContact CD2-CG 3.68Å; H234-Y239 AromaticContact CG-CD2 3.87Å; H234-Y239 AromaticContact CG-CE2 3.8Å; G236-Y239 WeakPolarHBondContact O-CE1 3.29Å; T237-Y239 VanDerWaalsContact C-N 3.3Å; T237-Y239 PolarHBondContact O-N 3.18Å; Y239-V260 HydrophobicContact CE1-CG1 4.36Å; Y239-V260 HydrophobicContact CE1-CG2 3.88Å; Y239-H263 AromaticContact CE2-CE1 3.87Å; Y239-H263 AromaticContact CE2-ND1 3.78Å; Y239-H263 AromaticContact CZ-ND1 3.68Å; Y239-H263 PolarHBondContact OH-ND1 3.05Å
240	I	89.6	Confident	84.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-14.8	178	63.9	165	0	0	0	114.7	V222 T237 D238 N242 I243 F245 L256 I259 V260	V222-I240 HydrophobicContact CG1-CG2 3.96Å; V222-I240 HydrophobicContact CG2-CB 4.49Å; V222-I240 HydrophobicContact CG2-CG2 3.63Å; T237-I240 CarbonylContact O-C 3.59Å; T237-I240 WeakPolarHBondContact O-CG1 3.45Å; T237-I240 PolarHBondContact O-N 2.9Å; D238-I240 PolarHBondContact O-N 3.32Å; I240-N242 PolarHBondContact O-N 3.43Å; I240-I243 HydrophobicContact CB-CD1 4.42Å; I240-I243 HydrophobicContact CG2-CD1 4.33Å; I240-I243 WeakPolarHBondContact O-CB 3.2Å; I240-I243 PolarHBondContact O-N 2.93Å; I240-F245 HydrophobicContact CB-CE2 4.02Å; I240-F245 HydrophobicContact CB-CZ 4Å; I240-F245 HydrophobicContact CD1-CE2 4.34Å; I240-F245 HydrophobicContact CG2-CZ 4.4Å; I240-L256 HydrophobicContact CD1-CB 4.03Å; I240-L256 HydrophobicContact CD1-CD2 3.89Å; I240-L256 WeakPolarHBondContact CD1-O 3.32Å; I240-L256 HydrophobicContact CG1-CD2 4.14Å; I240-I259 HydrophobicContact CD1-CB 3.96Å; I240-I259 HydrophobicContact CD1-CG2 3.72Å; I240-V260 HydrophobicContact CD1-CG2 3.63Å; I240-V260 HydrophobicContact CG1-CG2 4.23Å
241	A	83.8	Confident	84.3	Confident	39 Å²	39	62.4 Å²	62.4	32%	0.322	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.9	-173.7	0	0	0	0	0	113.9	T237 L256	T237-A241 PolarHBondContact O-N 2.76Å; A241-L256 HydrophobicContact CB-CD1 4.3Å
242	N	79	Confident	84.4	Confident	100 Å²	100	61.8 Å²	61.8	54%	0.535	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.3	-176.4	-51.7	-60.2	0	0	0	113.4	D238 I240 P465	D238-N242 PolarHBondContact O-ND2 2.83Å; I240-N242 PolarHBondContact O-N 3.43Å; N242-P465 HydrophobicContact CB-CB 4.02Å; N242-P465 HydrophobicContact CB-CG 4.34Å; N242-P465 VanDerWaalsContact CG-CB 3.49Å; N242-P465 WeakPolarHBondContact OD1-CB 3.32Å; N242-P465 WeakPolarHBondContact OD1-CG 3.45Å
243	I	84.6	Confident	84.6	Confident	23 Å²	23	59.9 Å²	59.9	12%	0.118	33%	0.334	C	S	.	.	S	Bend	trans	-95	123.5	178.4	-55.2	178.1	0	0	0	108.2	R199 V221 I240 F245 Q251	R199-I243 VanDerWaalsContact NH2-CG2 3.32Å; V221-I243 HydrophobicContact CG1-CG2 4.49Å; I240-I243 HydrophobicContact CB-CD1 4.42Å; I240-I243 HydrophobicContact CG2-CD1 4.33Å; I240-I243 WeakPolarHBondContact O-CB 3.2Å; I240-I243 PolarHBondContact O-N 2.93Å; I243-F245 HydrophobicContact CB-CE1 4.16Å; I243-F245 HydrophobicContact CB-CE2 3.85Å; I243-F245 HydrophobicContact CB-CZ 3.6Å; I243-F245 HydrophobicContact CD1-CZ 4.23Å; I243-F245 HydrophobicContact CG1-CZ 4.47Å; I243-F245 HydrophobicContact CG2-CD1 4.16Å; I243-F245 HydrophobicContact CG2-CE1 3.6Å; I243-F245 HydrophobicContact CG2-CE2 4.16Å; I243-F245 HydrophobicContact CG2-CZ 3.6Å; I243-F245 VanDerWaalsContact O-CD2 3.27Å; I243-F245 WeakPolarHBondContact O-CD2 3.4Å; I243-F245 WeakPolarHBondContact O-CE2 3.41Å; I243-F245 PolarHBondContact O-N 2.82Å; I243-Q251 PolarHBondContact O-NE2 2.96Å
244	P	85.6	Confident	84.9	Confident	56 Å²	56	62.4 Å²	62.4	36%	0.364	34%	0.338	S	S	.	.			trans	-74.1	123.3	171.7	28.7	-32.3	0	0	0	110.5	I203	I203-P244 HydrophobicContact CD1-CB 3.95Å; I203-P244 HydrophobicContact CD1-CG 3.89Å; I203-P244 VanDerWaalsContact CD1-O 3.26Å; I203-P244 WeakPolarHBondContact CD1-O 3.5Å; I203-P244 HydrophobicContact CG1-CB 4.14Å; I203-P244 HydrophobicContact CG2-CB 3.89Å
245	F	88.7	Confident	85	Confident	11 Å²	11	61.5 Å²	61.5	5%	0.048	33%	0.333	C	S	.	.			trans	-112.7	-32.8	174.7	-58.7	-69.2	0	0	0	112	G218 V221 V222 I240 I243 L256 I259	G218-F245 VanDerWaalsContact CA-CD1 3.44Å; V221-F245 HydrophobicContact CB-CE1 4.36Å; V221-F245 HydrophobicContact CG1-CD1 4.24Å; V221-F245 HydrophobicContact CG1-CE1 3.83Å; V222-F245 HydrophobicContact CG2-CE1 3.68Å; V222-F245 HydrophobicContact CG2-CZ 3.52Å; I240-F245 HydrophobicContact CB-CE2 4.02Å; I240-F245 HydrophobicContact CB-CZ 4Å; I240-F245 HydrophobicContact CD1-CE2 4.34Å; I240-F245 HydrophobicContact CG2-CZ 4.4Å; I243-F245 HydrophobicContact CB-CE1 4.16Å; I243-F245 HydrophobicContact CB-CE2 3.85Å; I243-F245 HydrophobicContact CB-CZ 3.6Å; I243-F245 HydrophobicContact CD1-CZ 4.23Å; I243-F245 HydrophobicContact CG1-CZ 4.47Å; I243-F245 HydrophobicContact CG2-CD1 4.16Å; I243-F245 HydrophobicContact CG2-CE1 3.6Å; I243-F245 HydrophobicContact CG2-CE2 4.16Å; I243-F245 HydrophobicContact CG2-CZ 3.6Å; I243-F245 VanDerWaalsContact O-CD2 3.27Å; I243-F245 WeakPolarHBondContact O-CD2 3.4Å; I243-F245 WeakPolarHBondContact O-CE2 3.41Å; I243-F245 PolarHBondContact O-N 2.82Å; F245-L256 HydrophobicContact CD2-CD2 3.85Å; F245-L256 HydrophobicContact CE2-CD2 3.74Å; F245-I259 HydrophobicContact CB-CD1 4.13Å; F245-I259 HydrophobicContact CD1-CD1 4.24Å; F245-I259 HydrophobicContact CD2-CD1 3.59Å; F245-I259 HydrophobicContact CE2-CD1 3.98Å; F245-I259 HydrophobicContact CG-CD1 3.72Å; F245-I259 HydrophobicContact CZ-CD1 4.43Å; F245-I259 HydrophobicContact CZ-CG2 4.29Å
246	A	87.1	Confident	85.6	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	31%	0.308	C	S	.	.	S	Bend	trans	-131.6	170.1	-178.2	0	0	0	0	0	109.8	Y214 Q248 L250 Q251 M255	Y214-A246 HydrophobicContact CD1-CB 3.53Å; Y214-A246 HydrophobicContact CD2-CB 4.3Å; Y214-A246 HydrophobicContact CE1-CB 3.74Å; Y214-A246 HydrophobicContact CE2-CB 4.48Å; Y214-A246 HydrophobicContact CG-CB 3.85Å; A246-Q248 PolarHBondContact O-N 3.4Å; A246-L250 HydrophobicContact CB-CB 4.31Å; A246-Q251 HydrophobicContact CB-CB 4.37Å; A246-M255 HydrophobicContact CB-CE 3.92Å; A246-M255 HydrophobicContact CB-SD 3.76Å
247	P	84.3	Confident	86.1	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.032	31%	0.31	C	S	.	.			trans	-50.7	140	163.3	-28.1	37	0	0	0	111.3	R48 I203 Y214 Q249 L250 Q251	R48-P247 VanDerWaalsContact NH2-CG 3.3Å; I203-P247 WeakPolarHBondContact O-CA 3.14Å; Y214-P247 WeakPolarHBondContact OH-CD 3.24Å; P247-Q249 PolarHBondContact O-N 2.93Å; P247-L250 HydrophobicContact CB-CD1 4.35Å; P247-L250 HydrophobicContact CB-CG 4.47Å; P247-L250 HydrophobicContact CG-CD1 4.2Å; P247-L250 PolarHBondContact O-N 3.05Å; P247-Q251 PolarHBondContact O-N 2.89Å
248	Q	80.5	Confident	86.4	Confident	125 Å²	125	60.6 Å²	60.6	58%	0.584	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.4	-173.6	-168.4	-179.1	18.3	0	0	114	A246 L250	A246-Q248 PolarHBondContact O-N 3.4Å; Q248-L250 VanDerWaalsContact C-N 3.28Å; Q248-L250 PolarHBondContact O-N 3.32Å
249	Q	80.8	Confident	86.8	Confident	138 Å²	138	54.9 Å²	54.9	65%	0.645	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.1	177.7	-59	75.9	27.3	0	0	114.1	P247	P247-Q249 PolarHBondContact O-N 2.93Å
250	L	83.8	Confident	87.1	Confident	86 Å²	86	52.8 Å²	52.8	45%	0.45	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-13.3	-175.1	-59.1	179.2	0	0	0	113	Y214 A246 P247 Q248 T252 M255	Y214-L250 HydrophobicContact CE2-CD1 4.02Å; A246-L250 HydrophobicContact CB-CB 4.31Å; P247-L250 HydrophobicContact CB-CD1 4.35Å; P247-L250 HydrophobicContact CB-CG 4.47Å; P247-L250 HydrophobicContact CG-CD1 4.2Å; P247-L250 PolarHBondContact O-N 3.05Å; Q248-L250 VanDerWaalsContact C-N 3.28Å; Q248-L250 PolarHBondContact O-N 3.32Å; L250-T252 PolarHBondContact O-N 2.86Å; L250-M255 VanDerWaalsContact O-CE 3.24Å; L250-M255 WeakPolarHBondContact O-CE 2.81Å
251	Q	85.7	Confident	87.2	Confident	45 Å²	45	57 Å²	57	21%	0.21	29%	0.294	C	S	.	.			trans	-78.4	86	-178.7	-175.3	156.6	-38.3	0	0	111.1	I243 A246 P247 L256	I243-Q251 PolarHBondContact O-NE2 2.96Å; A246-Q251 HydrophobicContact CB-CB 4.37Å; P247-Q251 PolarHBondContact O-N 2.89Å; Q251-L256 HydrophobicContact CG-CD2 4.43Å
252	T	87.5	Confident	87.6	Confident	66 Å²	66	55.3 Å²	55.3	41%	0.405	28%	0.28	S	S	.	.			trans	-88.5	158.5	-179	59.4	0	0	0	0	112.8	L250 K254 M255 L256	L250-T252 PolarHBondContact O-N 2.86Å; T252-K254 PolarHBondContact O-N 2.88Å; T252-M255 VanDerWaalsContact O-CB 3.29Å; T252-M255 WeakPolarHBondContact O-CB 3.29Å; T252-M255 PolarHBondContact O-N 2.96Å; T252-M255 PolarHBondContact OG1-N 2.78Å; T252-L256 PolarHBondContact O-N 2.7Å; T252-L256 VanDerWaalsContact O-N 3.13Å
253	T	86.9	Confident	88.2	Confident	93 Å²	93	50.6 Å²	50.6	57%	0.571	25%	0.254	S	S	*	.	H	α-helix	trans	-56.9	-36	172.4	-40.9	0	0	0	0	112	L256 Q257	T253-L256 PolarHBondContact O-N 2.76Å; T253-Q257 WeakPolarHBondContact O-CG 3.32Å; T253-Q257 PolarHBondContact O-N 2.81Å
254	K	89	Confident	88.6	Confident	137 Å²	137	52.6 Å²	52.6	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-42.2	173.9	-174	174.5	-178.5	175.3	0	112	T252 Q257 Q258	T252-K254 PolarHBondContact O-N 2.88Å; K254-Q257 PolarHBondContact O-N 2.88Å; K254-Q258 VanDerWaalsContact O-CG 3.32Å; K254-Q258 WeakPolarHBondContact O-CG 3.36Å; K254-Q258 PolarHBondContact O-N 2.69Å; K254-Q258 PolarHBondContact O-OE1 2.9Å
255	M	90.3	Very high	88.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173.4	-171.7	-176.5	-74.4	0	0	111.2	Y214 V215 A246 L250 T252 Q258 I259	Y214-M255 HydrophobicContact CD2-CE 3.98Å; Y214-M255 HydrophobicContact CG-CE 4.06Å; V215-M255 HydrophobicContact CG2-CB 4.47Å; V215-M255 HydrophobicContact CG2-CG 3.74Å; A246-M255 HydrophobicContact CB-CE 3.92Å; A246-M255 HydrophobicContact CB-SD 3.76Å; L250-M255 VanDerWaalsContact O-CE 3.24Å; L250-M255 WeakPolarHBondContact O-CE 2.81Å; T252-M255 VanDerWaalsContact O-CB 3.29Å; T252-M255 WeakPolarHBondContact O-CB 3.29Å; T252-M255 PolarHBondContact O-N 2.96Å; T252-M255 PolarHBondContact OG1-N 2.78Å; M255-Q258 PolarHBondContact O-N 2.76Å; M255-I259 HydrophobicContact CG-CD1 3.99Å; M255-I259 VanDerWaalsContact O-CG1 3.29Å; M255-I259 WeakPolarHBondContact O-CG1 3.38Å; M255-I259 PolarHBondContact O-N 2.84Å
256	L	92.1	Very high	88.8	Confident	15 Å²	15	52.6 Å²	52.6	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-47.6	178.7	-64	176.1	0	0	0	111.9	T237 I240 A241 F245 Q251 T252 T253 Q258 I259 V260	T237-L256 HydrophobicContact CG2-CB 3.76Å; I240-L256 HydrophobicContact CD1-CB 4.03Å; I240-L256 HydrophobicContact CD1-CD2 3.89Å; I240-L256 WeakPolarHBondContact CD1-O 3.32Å; I240-L256 HydrophobicContact CG1-CD2 4.14Å; A241-L256 HydrophobicContact CB-CD1 4.3Å; F245-L256 HydrophobicContact CD2-CD2 3.85Å; F245-L256 HydrophobicContact CE2-CD2 3.74Å; Q251-L256 HydrophobicContact CG-CD2 4.43Å; T252-L256 PolarHBondContact O-N 2.7Å; T252-L256 VanDerWaalsContact O-N 3.13Å; T253-L256 PolarHBondContact O-N 2.76Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 2.93Å; L256-I259 WeakPolarHBondContact O-CB 3.39Å; L256-I259 PolarHBondContact O-N 2.96Å; L256-I259 VanDerWaalsContact O-N 3.08Å; L256-V260 WeakPolarHBondContact O-CG2 3.37Å; L256-V260 PolarHBondContact O-N 3.15Å
257	Q	91.9	Very high	88.9	Confident	108 Å²	108	58.2 Å²	58.2	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-55.7	-45.9	175.9	-73	169.1	-23.8	0	0	111.7	T237 T253 K254 I259 V260 E261	T237-Q257 HydrophobicContact CG2-CG 4Å; T253-Q257 WeakPolarHBondContact O-CG 3.32Å; T253-Q257 PolarHBondContact O-N 2.81Å; K254-Q257 PolarHBondContact O-N 2.88Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.15Å; Q257-V260 PolarHBondContact O-N 3.37Å; Q257-E261 PolarHBondContact O-N 2.77Å
258	Q	91.9	Very high	89	Confident	52 Å²	52	60.7 Å²	60.7	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-34.3	177.1	-65.6	178.7	-78	0	0	112.5	H211 V215 K254 M255 L256 V260 E261 L262	H211-Q258 PolarHBondContact NE2-OE1 2.81Å; V215-Q258 HydrophobicContact CG1-CB 3.57Å; V215-Q258 HydrophobicContact CG2-CB 4.02Å; K254-Q258 VanDerWaalsContact O-CG 3.32Å; K254-Q258 WeakPolarHBondContact O-CG 3.36Å; K254-Q258 PolarHBondContact O-N 2.69Å; K254-Q258 PolarHBondContact O-OE1 2.9Å; M255-Q258 PolarHBondContact O-N 2.76Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 2.93Å; Q258-V260 VanDerWaalsContact C-N 3.33Å; Q258-V260 PolarHBondContact O-N 2.94Å; Q258-E261 PolarHBondContact O-N 2.87Å; Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 3.5Å
259	I	93.4	Very high	89.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-37.4	173	-71.3	165.3	0	0	0	111.1	V215 V222 I240 F245 M255 L256 Q257 L262 H263	V215-I259 HydrophobicContact CB-CG1 4.3Å; V215-I259 HydrophobicContact CG1-CG1 4.04Å; V215-I259 HydrophobicContact CG2-CG1 4.5Å; V222-I259 HydrophobicContact CG2-CG2 3.78Å; I240-I259 HydrophobicContact CD1-CB 3.96Å; I240-I259 HydrophobicContact CD1-CG2 3.72Å; F245-I259 HydrophobicContact CB-CD1 4.13Å; F245-I259 HydrophobicContact CD1-CD1 4.24Å; F245-I259 HydrophobicContact CD2-CD1 3.59Å; F245-I259 HydrophobicContact CE2-CD1 3.98Å; F245-I259 HydrophobicContact CG-CD1 3.72Å; F245-I259 HydrophobicContact CZ-CD1 4.43Å; F245-I259 HydrophobicContact CZ-CG2 4.29Å; M255-I259 HydrophobicContact CG-CD1 3.99Å; M255-I259 VanDerWaalsContact O-CG1 3.29Å; M255-I259 WeakPolarHBondContact O-CG1 3.38Å; M255-I259 PolarHBondContact O-N 2.84Å; L256-I259 WeakPolarHBondContact O-CB 3.39Å; L256-I259 PolarHBondContact O-N 2.96Å; L256-I259 VanDerWaalsContact O-N 3.08Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.15Å; I259-L262 PolarHBondContact O-N 2.76Å; I259-H263 VanDerWaalsContact O-CB 3.27Å; I259-H263 WeakPolarHBondContact O-CB 3.41Å; I259-H263 PolarHBondContact O-N 3.43Å
260	V	92.4	Very high	89.7	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-44.7	174.2	-179.4	0	0	0	0	111	Y229 T237 Y239 I240 L256 Q257 Q258 L262 H263 K264	Y229-V260 HydrophobicContact CE2-CG1 4.01Å; T237-V260 HydrophobicContact CG2-CG2 4.11Å; Y239-V260 HydrophobicContact CE1-CG1 4.36Å; Y239-V260 HydrophobicContact CE1-CG2 3.88Å; I240-V260 HydrophobicContact CD1-CG2 3.63Å; I240-V260 HydrophobicContact CG1-CG2 4.23Å; L256-V260 WeakPolarHBondContact O-CG2 3.37Å; L256-V260 PolarHBondContact O-N 3.15Å; Q257-V260 PolarHBondContact O-N 3.37Å; Q258-V260 VanDerWaalsContact C-N 3.33Å; Q258-V260 PolarHBondContact O-N 2.94Å; V260-L262 VanDerWaalsContact C-N 3.31Å; V260-L262 PolarHBondContact O-N 2.74Å; V260-H263 PolarHBondContact O-N 2.81Å; V260-K264 WeakPolarHBondContact O-CG 3.15Å; V260-K264 PolarHBondContact O-N 3.22Å; V260-K264 VanDerWaalsContact O-N 3.07Å
261	E	92.2	Very high	90	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-32.6	175.8	-60	-42.7	124.6	0	0	113	Q257 Q258 K264	Q257-E261 PolarHBondContact O-N 2.77Å; Q258-E261 PolarHBondContact O-N 2.87Å; E261-K264 IonicContact OE1-NZ 3.48Å; E261-K264 PolarHBondContact OE1-NZ 2.93Å; E261-K264 WeakPolarHBondContact OE2-CD 3.42Å; E261-K264 IonicContact OE2-NZ 3.28Å; E261-K264 PolarHBondContact OE2-NZ 2.84Å
262	L	91.2	Very high	90.1	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-71.8	-46.6	172.6	-67.1	-155.3	0	0	0	111.9	V215 V216 A219 Q258 I259 V260 K264 L265 H266 A525 Y526	V215-L262 HydrophobicContact CG1-CD1 3.65Å; V215-L262 HydrophobicContact CG1-CG 3.86Å; V216-L262 HydrophobicContact CB-CD1 4.34Å; V216-L262 HydrophobicContact CG2-CD1 3.81Å; A219-L262 HydrophobicContact CB-CB 3.32Å; A219-L262 HydrophobicContact CB-CD1 3.91Å; A219-L262 HydrophobicContact CB-CG 4.24Å; Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 3.5Å; I259-L262 PolarHBondContact O-N 2.76Å; V260-L262 VanDerWaalsContact C-N 3.31Å; V260-L262 PolarHBondContact O-N 2.74Å; L262-K264 PolarHBondContact O-N 3.27Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-L265 VanDerWaalsContact O-N 3.12Å; L262-H266 PolarHBondContact O-CD2 3.44Å; L262-H266 PolarHBondContact O-N 2.8Å; L262-A525 HydrophobicContact CD2-CB 4.2Å; L262-Y526 VanDerWaalsContact CA-OH 3.23Å; L262-Y526 WeakPolarHBondContact CA-OH 3.34Å; L262-Y526 HydrophobicContact CD2-CD1 4.28Å; L262-Y526 HydrophobicContact CD2-CD2 3.81Å; L262-Y526 HydrophobicContact CD2-CE1 3.9Å; L262-Y526 HydrophobicContact CD2-CE2 3.36Å; L262-Y526 HydrophobicContact CD2-CG 4.26Å; L262-Y526 VanDerWaalsContact CD2-CZ 3.44Å; L262-Y526 PolarHBondContact O-OH 2.74Å
263	H	93	Very high	90.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.3	-37.1	177.7	175.7	-135.7	0	0	0	112.9	V222 G227 Y229 H234 Y239 I259 V260 L265 H266	V222-H263 HydrophobicContact CG1-CB 4.2Å; G227-H263 PolarHBondContact O-NE2 3.25Å; Y229-H263 AromaticContact CD2-CE1 3.91Å; Y229-H263 AromaticContact CD2-ND1 3.52Å; H234-H263 AromaticContact ND1-CE1 3.93Å; Y239-H263 AromaticContact CE2-CE1 3.87Å; Y239-H263 AromaticContact CE2-ND1 3.78Å; Y239-H263 AromaticContact CZ-ND1 3.68Å; Y239-H263 PolarHBondContact OH-ND1 3.05Å; I259-H263 VanDerWaalsContact O-CB 3.27Å; I259-H263 WeakPolarHBondContact O-CB 3.41Å; I259-H263 PolarHBondContact O-N 3.43Å; V260-H263 PolarHBondContact O-N 2.81Å; H263-L265 VanDerWaalsContact C-N 3.27Å; H263-L265 PolarHBondContact O-N 2.74Å; H263-H266 PolarHBondContact O-N 2.76Å
264	K	92.2	Very high	90.4	Very high	65 Å²	65	46.6 Å²	46.6	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-54	-36.5	176.7	-79.8	169.6	-178.1	166.2	0	114.6	Y229 V260 E261 L262	Y229-K264 HydrophobicContact CD1-CG 3.63Å; Y229-K264 HydrophobicContact CD2-CG 4.01Å; Y229-K264 HydrophobicContact CE1-CD 4.38Å; Y229-K264 HydrophobicContact CE1-CG 3.77Å; Y229-K264 HydrophobicContact CE2-CG 4.14Å; Y229-K264 HydrophobicContact CG-CG 3.76Å; V260-K264 WeakPolarHBondContact O-CG 3.15Å; V260-K264 PolarHBondContact O-N 3.22Å; V260-K264 VanDerWaalsContact O-N 3.07Å; E261-K264 IonicContact OE1-NZ 3.48Å; E261-K264 PolarHBondContact OE1-NZ 2.93Å; E261-K264 WeakPolarHBondContact OE2-CD 3.42Å; E261-K264 IonicContact OE2-NZ 3.28Å; E261-K264 PolarHBondContact OE2-NZ 2.84Å; L262-K264 PolarHBondContact O-N 3.27Å
265	L	90.4	Very high	90.6	Very high	61 Å²	61	40.2 Å²	40.2	32%	0.319	21%	0.214	S	C	.	.	H	α-helix	trans	-98.4	-12.1	-177.1	-36.3	-173.1	0	0	0	113.4	L262 H263 K267 P503 P523 Y526	L262-L265 PolarHBondContact O-N 3.33Å; L262-L265 VanDerWaalsContact O-N 3.12Å; H263-L265 VanDerWaalsContact C-N 3.27Å; H263-L265 PolarHBondContact O-N 2.74Å; L265-K267 PolarHBondContact O-N 3.37Å; L265-P503 HydrophobicContact CB-CB 3.39Å; L265-P503 HydrophobicContact CB-CG 3.77Å; L265-P503 HydrophobicContact CD1-CB 4.41Å; L265-P503 HydrophobicContact CD1-CG 3.89Å; L265-P503 WeakPolarHBondContact O-CB 3.42Å; L265-P523 HydrophobicContact CD1-CG 4.33Å; L265-Y526 HydrophobicContact CB-CE2 4.36Å; L265-Y526 VanDerWaalsContact CB-OH 3.29Å; L265-Y526 WeakPolarHBondContact CB-OH 3.35Å; L265-Y526 HydrophobicContact CD1-CD2 3.82Å; L265-Y526 HydrophobicContact CD1-CE1 4.36Å; L265-Y526 HydrophobicContact CD1-CE2 3.31Å; L265-Y526 HydrophobicContact CG-CE2 3.73Å
266	H	89.1	Confident	90.6	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.032	23%	0.226	C	C	.	.	S	Bend	trans	-68.2	-7.2	169.5	-70.4	-51.9	0	0	0	113.6	A219 Y220 Q223 L262 H263 G268 Q269	A219-H266 WeakPolarHBondContact CB-NE2 3.49Å; Y220-H266 AromaticContact CE1-CE1 3.41Å; Y220-H266 VanDerWaalsContact CE1-CE1 3.41Å; Y220-H266 WeakPolarHBondContact CE1-CE1 3.35Å; Y220-H266 AromaticContact CE1-ND1 3.76Å; Y220-H266 AromaticContact CZ-CE1 3.49Å; Y220-H266 VanDerWaalsContact CZ-CE1 3.49Å; Q223-H266 HydrophobicContact CB-CB 4.15Å; Q223-H266 HydrophobicContact CG-CB 3.93Å; Q223-H266 PolarHBondContact NE2-O 2.98Å; L262-H266 PolarHBondContact O-CD2 3.44Å; L262-H266 PolarHBondContact O-N 2.8Å; H263-H266 PolarHBondContact O-N 2.76Å; H266-G268 PolarHBondContact O-N 3.19Å; H266-Q269 PolarHBondContact ND1-OE1 3.02Å; H266-Q269 VanDerWaalsContact ND1-OE1 3.13Å; H266-Q269 VanDerWaalsContact O-CB 3.24Å; H266-Q269 WeakPolarHBondContact O-CB 3.32Å; H266-Q269 WeakPolarHBondContact O-CG 3.39Å; H266-Q269 PolarHBondContact O-N 2.91Å
267	K	88	Confident	90.6	Very high	120 Å²	120	43 Å²	43	52%	0.522	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.7	127	174.7	-173.2	167.6	-172.5	154.7	0	113.3	D228 L265	D228-K267 HydrophobicContact CB-CG 4.23Å; D228-K267 WeakPolarHBondContact OD1-CA 3.17Å; D228-K267 WeakPolarHBondContact OD2-CG 3.42Å; L265-K267 PolarHBondContact O-N 3.37Å
268	G	87.6	Confident	90.7	Very high	56 Å²	56	38.2 Å²	38.2	58%	0.577	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	-11.8	-175.9	0	0	0	0	0	114.5	D228 H266	D228-G268 VanDerWaalsContact CG-N 3.34Å; D228-G268 PolarHBondContact OD1-N 3.01Å; D228-G268 PolarHBondContact OD2-N 3.19Å; H266-G268 PolarHBondContact O-N 3.19Å
269	Q	87.9	Confident	90.8	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	19%	0.192	C	C	.	.			trans	-74.3	126.5	172.6	-70.5	-177.5	-20.6	0	0	110.8	Q223 H266 Q273 T505	Q223-Q269 HydrophobicContact CG-CB 4.29Å; Q223-Q269 PolarHBondContact NE2-O 2.74Å; H266-Q269 PolarHBondContact ND1-OE1 3.02Å; H266-Q269 VanDerWaalsContact ND1-OE1 3.13Å; H266-Q269 VanDerWaalsContact O-CB 3.24Å; H266-Q269 WeakPolarHBondContact O-CB 3.32Å; H266-Q269 WeakPolarHBondContact O-CG 3.39Å; H266-Q269 PolarHBondContact O-N 2.91Å; Q269-Q273 HydrophobicContact CB-CB 4.31Å; Q269-T505 PolarHBondContact NE2-O 3.18Å
270	S	88.5	Confident	90.7	Very high	54 Å²	54	36.6 Å²	36.6	38%	0.378	20%	0.196	S	C	.	.			trans	-68.1	160	175	83.1	0	0	0	0	111.8	V272 Q273 A274	S270-V272 PolarHBondContact O-N 3.24Å; S270-V272 VanDerWaalsContact O-N 3.08Å; S270-Q273 WeakPolarHBondContact O-CA 3.5Å; S270-Q273 WeakPolarHBondContact O-CB 3.14Å; S270-Q273 PolarHBondContact O-N 2.83Å; S270-Q273 WeakPolarHBondContact OG-CG 3.42Å; S270-Q273 PolarHBondContact OG-N 3.19Å; S270-A274 PolarHBondContact O-N 3.47Å
271	L	89	Confident	90.6	Very high	78 Å²	78	37.7 Å²	37.7	41%	0.408	20%	0.202	S	C	.	.	H	α-helix	trans	-54.1	-32.2	178.1	-54	176.7	0	0	0	113	D275 R458	L271-D275 PolarHBondContact O-N 2.96Å; L271-D275 VanDerWaalsContact O-N 3.14Å; L271-R458 PolarHBondContact O-NH2 3.36Å
272	V	87.8	Confident	90.5	Very high	50 Å²	50	33.5 Å²	33.5	30%	0.303	18%	0.182	S	C	.	.	H	α-helix	trans	-77.8	-35.9	177.1	178.8	0	0	0	0	111.7	D188 S270 R276	D188-V272 HydrophobicContact CB-CG2 4.41Å; D188-V272 VanDerWaalsContact OD1-CG1 3.3Å; D188-V272 WeakPolarHBondContact OD1-CG1 3.25Å; S270-V272 PolarHBondContact O-N 3.24Å; S270-V272 VanDerWaalsContact O-N 3.08Å; V272-R276 WeakPolarHBondContact O-CB 3.43Å; V272-R276 PolarHBondContact O-N 3.04Å
273	Q	90.1	Very high	90.5	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-69.7	-38.8	175.2	-69.4	162.6	-8.1	0	0	111.2	Q269 S270 R276 G277 P506	Q269-Q273 HydrophobicContact CB-CB 4.31Å; S270-Q273 WeakPolarHBondContact O-CA 3.5Å; S270-Q273 WeakPolarHBondContact O-CB 3.14Å; S270-Q273 PolarHBondContact O-N 2.83Å; S270-Q273 WeakPolarHBondContact OG-CG 3.42Å; S270-Q273 PolarHBondContact OG-N 3.19Å; Q273-R276 PolarHBondContact O-N 3.04Å; Q273-G277 PolarHBondContact O-N 3.09Å; Q273-P506 HydrophobicContact CG-CB 3.85Å
274	A	91.2	Very high	90.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-44.1	173.7	0	0	0	0	0	111.9	Q223 S270 G277 F278	Q223-A274 HydrophobicContact CB-CB 4.08Å; Q223-A274 HydrophobicContact CG-CB 3.85Å; S270-A274 PolarHBondContact O-N 3.47Å; A274-G277 PolarHBondContact O-N 2.9Å; A274-F278 WeakPolarHBondContact O-CB 3.41Å; A274-F278 PolarHBondContact O-N 3.4Å
275	D	91.8	Very high	89.9	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-45.1	172.2	-80	15.8	0	0	0	112	S224 L271 G277 F278 L279 R458	S224-D275 VanDerWaalsContact CB-OD1 3.3Å; S224-D275 WeakPolarHBondContact CB-OD1 3.44Å; S224-D275 PolarHBondContact OG-OD1 2.97Å; S224-D275 VanDerWaalsContact OG-OD1 3.05Å; L271-D275 PolarHBondContact O-N 2.96Å; L271-D275 VanDerWaalsContact O-N 3.14Å; D275-G277 VanDerWaalsContact C-N 3.33Å; D275-G277 PolarHBondContact O-N 2.81Å; D275-F278 WeakPolarHBondContact O-CB 3.24Å; D275-F278 PolarHBondContact O-N 3.26Å; D275-L279 VanDerWaalsContact O-CG 3.31Å; D275-L279 WeakPolarHBondContact O-CG 3.45Å; D275-L279 PolarHBondContact O-N 3.01Å; D275-R458 VanDerWaalsContact CG-NH2 3.25Å; D275-R458 IonicContact OD1-CZ 2.72Å; D275-R458 IonicContact OD1-NH1 3.14Å; D275-R458 PolarHBondContact OD1-NH1 3.2Å; D275-R458 IonicContact OD1-NH2 3.35Å; D275-R458 PolarHBondContact OD1-NH2 3.11Å; D275-R458 IonicContact OD2-CZ 2.82Å; D275-R458 IonicContact OD2-NH1 2.73Å; D275-R458 PolarHBondContact OD2-NH1 2.88Å; D275-R458 IonicContact OD2-NH2 3.71Å; D275-R458 PolarHBondContact OD2-NH2 3.04Å
276	R	91.6	Very high	89.4	Confident	67 Å²	67	38.8 Å²	38.8	25%	0.253	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-38.5	176.5	-166.6	173.5	179.3	-128.5	1.9	111.7	I182 D183 V272 Q273 L279 E280 P506 S507	I182-R276 HydrophobicContact CD1-CG 3.87Å; D183-R276 IonicContact OD1-CZ 2.78Å; D183-R276 IonicContact OD1-NE 3.57Å; D183-R276 PolarHBondContact OD1-NE 3.1Å; D183-R276 IonicContact OD1-NH2 2.64Å; D183-R276 PolarHBondContact OD1-NH2 2.74Å; D183-R276 IonicContact OD2-CZ 2.61Å; D183-R276 IonicContact OD2-NE 3.55Å; D183-R276 IonicContact OD2-NH2 3.68Å; D183-R276 PolarHBondContact OD2-NH2 3.08Å; V272-R276 WeakPolarHBondContact O-CB 3.43Å; V272-R276 PolarHBondContact O-N 3.04Å; Q273-R276 PolarHBondContact O-N 3.04Å; R276-L279 PolarHBondContact O-N 2.76Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.21Å; R276-P506 PolarHBondContact NH1-O 3.3Å; R276-S507 PolarHBondContact NH1-OG 3.38Å
277	G	91.2	Very high	89.2	Confident	8 Å²	8	39.5 Å²	39.5	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-41.5	173.7	0	0	0	0	0	113.1	Q273 A274 D275 N281	Q273-G277 PolarHBondContact O-N 3.09Å; A274-G277 PolarHBondContact O-N 2.9Å; D275-G277 VanDerWaalsContact C-N 3.33Å; D275-G277 PolarHBondContact O-N 2.81Å; G277-N281 PolarHBondContact O-N 3.11Å; G277-N281 PolarHBondContact O-ND2 2.93Å
278	F	94.1	Very high	89.4	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-49.5	171.3	178.7	-87.8	0	0	0	111	C195 L198 R199 I202 L217 Y220 V221 A274 D275 N281 A282	C195-F278 HydrophobicContact CB-CD1 4.03Å; C195-F278 HydrophobicContact CB-CE1 4.24Å; L198-F278 HydrophobicContact CB-CE1 3.97Å; L198-F278 HydrophobicContact CB-CZ 4.38Å; L198-F278 HydrophobicContact CD1-CE1 4.49Å; R199-F278 HydrophobicContact CB-CZ 4.22Å; I202-F278 HydrophobicContact CD1-CZ 4.15Å; L217-F278 HydrophobicContact CB-CD2 4.05Å; L217-F278 HydrophobicContact CB-CE2 3.86Å; L217-F278 HydrophobicContact CD2-CD2 3.75Å; L217-F278 HydrophobicContact CD2-CE2 4.03Å; L217-F278 HydrophobicContact CD2-CG 4.17Å; L217-F278 WeakPolarHBondContact CD2-O 3.49Å; L217-F278 HydrophobicContact CG-CD2 4.49Å; L217-F278 HydrophobicContact CG-CE2 4.42Å; Y220-F278 HydrophobicContact CG-CB 4.41Å; V221-F278 HydrophobicContact CG2-CD2 3.81Å; V221-F278 HydrophobicContact CG2-CE2 3.67Å; A274-F278 WeakPolarHBondContact O-CB 3.41Å; A274-F278 PolarHBondContact O-N 3.4Å; D275-F278 WeakPolarHBondContact O-CB 3.24Å; D275-F278 PolarHBondContact O-N 3.26Å; F278-N281 PolarHBondContact O-N 3.34Å; F278-A282 HydrophobicContact CD1-CB 4.43Å; F278-A282 HydrophobicContact CE1-CB 4.2Å; F278-A282 VanDerWaalsContact O-CB 3.29Å; F278-A282 WeakPolarHBondContact O-CB 3.45Å; F278-A282 PolarHBondContact O-N 2.91Å
279	L	93.7	Very high	89.4	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-40.8	-178.7	-70	-179.6	0	0	0	113.5	I182 R191 L194 C195 L198 D275 R276 N281 A282 R283	I182-L279 HydrophobicContact CB-CD1 4.5Å; I182-L279 HydrophobicContact CD1-CB 3.47Å; I182-L279 VanDerWaalsContact CD1-CB 3.47Å; I182-L279 HydrophobicContact CD1-CD1 4.29Å; I182-L279 HydrophobicContact CG2-CB 4.19Å; R191-L279 HydrophobicContact CB-CD1 3.92Å; R191-L279 HydrophobicContact CG-CD1 3.89Å; L194-L279 HydrophobicContact CB-CD2 3.99Å; L194-L279 HydrophobicContact CD2-CD1 4.36Å; L194-L279 HydrophobicContact CD2-CD2 3.74Å; L194-L279 HydrophobicContact CG-CD2 3.59Å; C195-L279 VanDerWaalsContact SG-CG 3.58Å; L198-L279 HydrophobicContact CD1-CD2 3.72Å; D275-L279 VanDerWaalsContact O-CG 3.31Å; D275-L279 WeakPolarHBondContact O-CG 3.45Å; D275-L279 PolarHBondContact O-N 3.01Å; R276-L279 PolarHBondContact O-N 2.76Å; L279-N281 PolarHBondContact O-N 3.49Å; L279-A282 PolarHBondContact O-N 2.97Å; L279-R283 WeakPolarHBondContact O-CB 3.41Å; L279-R283 WeakPolarHBondContact O-CG 3.39Å; L279-R283 PolarHBondContact O-N 2.9Å
280	E	91.3	Very high	89.5	Confident	16 Å²	16	32 Å²	32	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-33.4	175.9	-87.1	-56.8	110.4	0	0	112.8	I182 R276 R283 R284 P508	I182-E280 HydrophobicContact CD1-CG 4.01Å; I182-E280 WeakPolarHBondContact CD1-OE1 3.48Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.21Å; E280-R283 VanDerWaalsContact CD-NE 3.3Å; E280-R283 IonicContact OE1-CZ 3.95Å; E280-R283 IonicContact OE1-NE 3.62Å; E280-R283 PolarHBondContact OE1-NE 3.09Å; E280-R283 IonicContact OE1-NH2 3.92Å; E280-R283 PolarHBondContact OE1-NH2 3.01Å; E280-R283 IonicContact OE2-CZ 3.72Å; E280-R283 IonicContact OE2-NE 3.39Å; E280-R283 PolarHBondContact OE2-NE 2.84Å; E280-R283 IonicContact OE2-NH2 3.84Å; E280-R283 PolarHBondContact OE2-NH2 2.87Å; E280-R284 PolarHBondContact O-NH1 2.85Å; E280-R284 VanDerWaalsContact O-NH1 3.15Å; E280-R284 IonicContact OE2-NH2 2.84Å; E280-R284 PolarHBondContact OE2-NH2 3.16Å; E280-P508 HydrophobicContact CG-CG 4.46Å
281	N	90.9	Very high	89.6	Confident	30 Å²	30	30.9 Å²	30.9	16%	0.16	15%	0.152	C	C	.	.	H	α-helix	trans	-83.4	-39.6	175.3	-72.1	-71.7	0	0	0	112	L217 Y220 G277 F278 L279 R283 R284 L501	L217-N281 HydrophobicContact CD2-CB 3.62Å; Y220-N281 WeakPolarHBondContact CE2-ND2 3.45Å; G277-N281 PolarHBondContact O-N 3.11Å; G277-N281 PolarHBondContact O-ND2 2.93Å; F278-N281 PolarHBondContact O-N 3.34Å; L279-N281 PolarHBondContact O-N 3.49Å; N281-R283 PolarHBondContact O-N 2.87Å; N281-R284 PolarHBondContact O-N 2.79Å; N281-L501 WeakPolarHBondContact ND2-CD1 3.41Å
282	A	89.9	Confident	89.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.4	-31.2	-178.7	0	0	0	0	0	113.2	L198 L217 F278 L279 R284 L285	L198-A282 HydrophobicContact CD1-CB 3.85Å; L217-A282 HydrophobicContact CD2-CB 4.27Å; F278-A282 HydrophobicContact CD1-CB 4.43Å; F278-A282 HydrophobicContact CE1-CB 4.2Å; F278-A282 VanDerWaalsContact O-CB 3.29Å; F278-A282 WeakPolarHBondContact O-CB 3.45Å; F278-A282 PolarHBondContact O-N 2.91Å; L279-A282 PolarHBondContact O-N 2.97Å; A282-R284 PolarHBondContact O-N 2.84Å; A282-L285 HydrophobicContact CB-CD1 4.3Å; A282-L285 VanDerWaalsContact O-CB 3.32Å; A282-L285 WeakPolarHBondContact O-CB 3.44Å; A282-L285 WeakPolarHBondContact O-CG 3.34Å; A282-L285 PolarHBondContact O-N 2.87Å
283	R	90.6	Very high	89.8	Confident	82 Å²	82	29 Å²	29	31%	0.309	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	176.9	75.7	-178.8	-176.3	79.1	9.6	114.3	P180 L279 E280 N281 L285 Y288	P180-R283 PolarHBondContact O-NH1 2.89Å; L279-R283 WeakPolarHBondContact O-CB 3.41Å; L279-R283 WeakPolarHBondContact O-CG 3.39Å; L279-R283 PolarHBondContact O-N 2.9Å; E280-R283 VanDerWaalsContact CD-NE 3.3Å; E280-R283 IonicContact OE1-CZ 3.95Å; E280-R283 IonicContact OE1-NE 3.62Å; E280-R283 PolarHBondContact OE1-NE 3.09Å; E280-R283 IonicContact OE1-NH2 3.92Å; E280-R283 PolarHBondContact OE1-NH2 3.01Å; E280-R283 IonicContact OE2-CZ 3.72Å; E280-R283 IonicContact OE2-NE 3.39Å; E280-R283 PolarHBondContact OE2-NE 2.84Å; E280-R283 IonicContact OE2-NH2 3.84Å; E280-R283 PolarHBondContact OE2-NH2 2.87Å; N281-R283 PolarHBondContact O-N 2.87Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-Y288 HydrophobicContact CB-CD1 4.31Å; R283-Y288 HydrophobicContact CB-CD2 4.32Å; R283-Y288 HydrophobicContact CB-CE1 4.06Å; R283-Y288 HydrophobicContact CB-CE2 4.07Å; R283-Y288 HydrophobicContact CB-CG 4.44Å
284	R	87.4	Confident	89.8	Confident	94 Å²	94	34.6 Å²	34.6	36%	0.355	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.4	174.5	-61.9	178.7	-179.6	114.5	7.6	113	E280 N281 A282	E280-R284 PolarHBondContact O-NH1 2.85Å; E280-R284 VanDerWaalsContact O-NH1 3.15Å; E280-R284 IonicContact OE2-NH2 2.84Å; E280-R284 PolarHBondContact OE2-NH2 3.16Å; N281-R284 PolarHBondContact O-N 2.79Å; A282-R284 PolarHBondContact O-N 2.84Å
285	L	85.2	Confident	89.8	Confident	21 Å²	21	35 Å²	35	11%	0.11	16%	0.158	C	C	.	.	S	Bend	trans	-71.4	131	178.3	-65.7	168.2	0	0	0	110.1	I202 I207 T213 L217 A282 R283 L287 Y288	I202-L285 HydrophobicContact CD1-CD1 4.08Å; I202-L285 HydrophobicContact CG1-CD1 4.39Å; I207-L285 HydrophobicContact CG2-CB 3.64Å; I207-L285 HydrophobicContact CG2-CD1 3.6Å; I207-L285 HydrophobicContact CG2-CG 4.12Å; T213-L285 HydrophobicContact CG2-CD2 3.9Å; L217-L285 HydrophobicContact CD1-CD1 4.04Å; A282-L285 HydrophobicContact CB-CD1 4.3Å; A282-L285 VanDerWaalsContact O-CB 3.32Å; A282-L285 WeakPolarHBondContact O-CB 3.44Å; A282-L285 WeakPolarHBondContact O-CG 3.34Å; A282-L285 PolarHBondContact O-N 2.87Å; R283-L285 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 3.43Å; L285-Y288 WeakPolarHBondContact O-CB 3.25Å; L285-Y288 PolarHBondContact O-N 3.09Å
286	S	80.7	Confident	89.8	Confident	44 Å²	44	38.8 Å²	38.8	31%	0.308	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.8	-171.2	63.5	0	0	0	0	115.9	A491	S286-A491 WeakPolarHBondContact OG-CB 3.49Å
287	L	85.9	Confident	89.7	Confident	22 Å²	22	36.6 Å²	36.6	12%	0.115	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	12	176.1	-50.8	-169.5	0	0	0	113.4	I207 P208 L285 G289 V290 F292 Y315	I207-L287 HydrophobicContact CG1-CB 4.39Å; I207-L287 HydrophobicContact CG2-CB 4.44Å; P208-L287 VanDerWaalsContact CD-CD1 3.46Å; P208-L287 HydrophobicContact CG-CD1 4.05Å; L285-L287 PolarHBondContact O-N 3.43Å; L287-G289 PolarHBondContact O-N 2.61Å; L287-V290 PolarHBondContact O-N 3.07Å; L287-V290 VanDerWaalsContact O-N 3.11Å; L287-F292 HydrophobicContact CD1-CE2 3.93Å; L287-F292 HydrophobicContact CD1-CZ 4.08Å; L287-F292 HydrophobicContact CD2-CE2 4.2Å; L287-F292 HydrophobicContact CD2-CZ 3.76Å; L287-F292 HydrophobicContact CG-CE2 4.48Å; L287-F292 HydrophobicContact CG-CZ 4.48Å; L287-Y315 HydrophobicContact CD2-CE1 4.31Å; L287-Y315 VanDerWaalsContact CD2-OH 3.28Å; L287-Y315 WeakPolarHBondContact CD2-OH 3.34Å
288	Y	90.4	Very high	89.2	Confident	8 Å²	8	41.8 Å²	41.8	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	117.8	175.2	170.5	-104	0	0	0	111.3	Y178 P179 L198 R283 L285 V290	Y178-Y288 HydrophobicContact CD1-CE2 4.16Å; P179-Y288 WeakPolarHBondContact O-CE1 3.4Å; P179-Y288 PolarHBondContact O-OH 3.15Å; L198-Y288 HydrophobicContact CD1-CD2 4.2Å; L198-Y288 HydrophobicContact CD1-CE2 3.86Å; L198-Y288 HydrophobicContact CD2-CD2 3.72Å; L198-Y288 HydrophobicContact CD2-CE2 3.99Å; R283-Y288 HydrophobicContact CB-CD1 4.31Å; R283-Y288 HydrophobicContact CB-CD2 4.32Å; R283-Y288 HydrophobicContact CB-CE1 4.06Å; R283-Y288 HydrophobicContact CB-CE2 4.07Å; R283-Y288 HydrophobicContact CB-CG 4.44Å; L285-Y288 WeakPolarHBondContact O-CB 3.25Å; L285-Y288 PolarHBondContact O-N 3.09Å; Y288-V290 PolarHBondContact O-N 2.88Å
289	G	89.1	Confident	88.6	Confident	11 Å²	11	44 Å²	44	11%	0.113	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	14.1	-179.8	0	0	0	0	0	116	Y178 L287 E291	Y178-G289 VanDerWaalsContact CG-CA 3.4Å; L287-G289 PolarHBondContact O-N 2.61Å; G289-E291 PolarHBondContact O-N 2.91Å
290	V	89.5	Confident	88.1	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.042	23%	0.228	C	C	.	.			trans	-84.2	110.4	-177.1	-179.1	0	0	0	0	111.4	L287 Y288 F292 L313	L287-V290 PolarHBondContact O-N 3.07Å; L287-V290 VanDerWaalsContact O-N 3.11Å; Y288-V290 PolarHBondContact O-N 2.88Å; V290-F292 HydrophobicContact CB-CE2 4.36Å; V290-F292 HydrophobicContact CG1-CD1 4.47Å; V290-F292 HydrophobicContact CG1-CD2 4.23Å; V290-F292 HydrophobicContact CG1-CE1 4.16Å; V290-F292 HydrophobicContact CG1-CE2 3.88Å; V290-F292 HydrophobicContact CG1-CZ 3.86Å; V290-L313 HydrophobicContact CG1-CD1 4.4Å; V290-L313 HydrophobicContact CG2-CD1 4.12Å
291	E	90.5	Very high	87.8	Confident	32 Å²	32	47 Å²	47	15%	0.15	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.8	172.3	-170	-177	179.2	0	0	111	G289 H293 G306 V307 R396 S400	G289-E291 PolarHBondContact O-N 2.91Å; E291-H293 PolarHBondContact O-CD2 3.21Å; E291-H293 IonicContact OE1-CE1 2.95Å; E291-H293 IonicContact OE1-NE2 3.44Å; E291-H293 PolarHBondContact OE1-NE2 3.1Å; E291-H293 IonicContact OE2-NE2 2.67Å; E291-G306 CarbonylContact O-C 3.58Å; E291-G306 WeakPolarHBondContact O-CA 3.41Å; E291-V307 PolarHBondContact N-O 2.89Å; E291-V307 PolarHBondContact O-N 2.85Å; E291-R396 IonicContact OE1-CZ 3.16Å; E291-R396 IonicContact OE1-NH1 3.89Å; E291-R396 PolarHBondContact OE1-NH1 2.99Å; E291-R396 IonicContact OE1-NH2 2.71Å; E291-R396 PolarHBondContact OE1-NH2 2.99Å; E291-S400 WeakPolarHBondContact OE2-CB 3.12Å; E291-S400 PolarHBondContact OE2-OG 3.23Å
292	F	90.4	Very high	87.6	Confident	76 Å²	76	49.3 Å²	49.3	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.6	-179.4	-75.8	-75.7	0	0	0	114.6	L287 V290 C304 L305 Y315	L287-F292 HydrophobicContact CD1-CE2 3.93Å; L287-F292 HydrophobicContact CD1-CZ 4.08Å; L287-F292 HydrophobicContact CD2-CE2 4.2Å; L287-F292 HydrophobicContact CD2-CZ 3.76Å; L287-F292 HydrophobicContact CG-CE2 4.48Å; L287-F292 HydrophobicContact CG-CZ 4.48Å; V290-F292 HydrophobicContact CB-CE2 4.36Å; V290-F292 HydrophobicContact CG1-CD1 4.47Å; V290-F292 HydrophobicContact CG1-CD2 4.23Å; V290-F292 HydrophobicContact CG1-CE1 4.16Å; V290-F292 HydrophobicContact CG1-CE2 3.88Å; V290-F292 HydrophobicContact CG1-CZ 3.86Å; F292-C304 HydrophobicContact CD1-CB 3.97Å; F292-C304 HydrophobicContact CE1-CB 4.48Å; F292-L305 CarbonylContact C-O 3.25Å; F292-L305 WeakPolarHBondContact CA-O 3.49Å; F292-Y315 AromaticContact CE1-CD2 3.75Å; F292-Y315 HydrophobicContact CE1-CD2 3.75Å; F292-Y315 AromaticContact CE1-CE2 3.84Å; F292-Y315 HydrophobicContact CE1-CE2 3.84Å; F292-Y315 HydrophobicContact CE1-CG 4.14Å; F292-Y315 HydrophobicContact CZ-CE2 4.21Å
293	H	90.9	Very high	87.6	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.9	174.1	-60.8	-114.9	0	0	0	110.4	E291 C304 L305 R396 L397	E291-H293 PolarHBondContact O-CD2 3.21Å; E291-H293 IonicContact OE1-CE1 2.95Å; E291-H293 IonicContact OE1-NE2 3.44Å; E291-H293 PolarHBondContact OE1-NE2 3.1Å; E291-H293 IonicContact OE2-NE2 2.67Å; H293-C304 WeakPolarHBondContact O-CA 3.42Å; H293-L305 PolarHBondContact N-O 3.12Å; H293-L305 PolarHBondContact O-N 2.92Å; H293-R396 PolarHBondContact CE1-NH1 3.18Å; H293-R396 PolarHBondContact ND1-NH1 2.87Å; H293-L397 HydrophobicContact CB-CB 4.4Å; H293-L397 HydrophobicContact CB-CD1 3.95Å; H293-L397 HydrophobicContact CB-CD2 4.17Å; H293-L397 HydrophobicContact CB-CG 4.39Å; H293-L397 WeakPolarHBondContact CE1-CA 3.24Å; H293-L397 WeakPolarHBondContact ND1-CA 3.19Å; H293-L397 WeakPolarHBondContact ND1-CB 3.45Å
294	R	90.3	Very high	87.5	Confident	184 Å²	184	47.6 Å²	47.6	69%	0.694	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.3	176	-65.1	-177.6	-178.2	-178.3	0.4	111
295	A	91.4	Very high	87.8	Confident	8 Å²	8	43.1 Å²	43.1	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	180	175.7	0	0	0	0	0	110.8	I303 L305 F386 Q387	A295-I303 HydrophobicContact CB-CD1 4.24Å; A295-I303 HydrophobicContact CB-CG1 4.14Å; A295-I303 PolarHBondContact N-O 2.86Å; A295-I303 WeakPolarHBondContact O-CG1 3.47Å; A295-I303 PolarHBondContact O-N 3.43Å; A295-L305 HydrophobicContact CB-CD1 4.39Å; A295-F386 HydrophobicContact CB-CB 4.09Å; A295-Q387 CarbonylContact C-O 3.51Å; A295-Q387 WeakPolarHBondContact CA-O 3.32Å
296	K	91.8	Very high	88	Confident	85 Å²	85	42.1 Å²	42.1	37%	0.37	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152	170.1	-70.6	-174.6	161.6	-130.6	0	111.7	G300 E301 F386 Q387	K296-G300 WeakPolarHBondContact CD-O 3.14Å; K296-G300 WeakPolarHBondContact CE-O 3.46Å; K296-G300 PolarHBondContact NZ-O 2.91Å; K296-E301 CarbonylContact C-O 3.59Å; K296-E301 WeakPolarHBondContact CA-O 3.29Å; K296-E301 WeakPolarHBondContact CB-O 3.32Å; K296-F386 CarbonylContact O-C 3.56Å; K296-F386 WeakPolarHBondContact O-CA 3.32Å; K296-Q387 PolarHBondContact N-O 2.97Å; K296-Q387 PolarHBondContact O-N 2.9Å
297	T	88.2	Confident	88.6	Confident	20 Å²	20	40 Å²	40	12%	0.123	22%	0.216	C	C	.	.			trans	-71.9	171.1	167.8	67.2	0	0	0	0	110.4	A299 G300 E301 I303 L361	T297-A299 PolarHBondContact O-N 3.04Å; T297-A299 PolarHBondContact OG1-N 2.73Å; T297-G300 PolarHBondContact O-N 3.02Å; T297-E301 HydrophobicContact CG2-CB 4.3Å; T297-E301 WeakPolarHBondContact CG2-OE2 3.38Å; T297-E301 PolarHBondContact N-O 2.83Å; T297-E301 WeakPolarHBondContact OG1-CB 3.34Å; T297-E301 PolarHBondContact OG1-N 2.98Å; T297-E301 PolarHBondContact OG1-OE2 3.27Å; T297-I303 HydrophobicContact CG2-CD1 4.14Å; T297-I303 HydrophobicContact CG2-CG1 4.42Å; T297-I303 HydrophobicContact CG2-CG2 3.86Å; T297-L361 HydrophobicContact CG2-CD2 4.48Å
298	I	82.1	Confident	89	Confident	117 Å²	117	39.8 Å²	39.8	60%	0.6	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.5	172.7	-56.2	175.7	0	0	0	111	G300	I298-G300 VanDerWaalsContact C-N 3.26Å; I298-G300 PolarHBondContact O-N 2.82Å
299	A	80.2	Confident	88.9	Confident	54 Å²	54	41.5 Å²	41.5	45%	0.446	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.9	174.2	0	0	0	0	0	114	T297 E301 L361	T297-A299 PolarHBondContact O-N 3.04Å; T297-A299 PolarHBondContact OG1-N 2.73Å; A299-E301 WeakPolarHBondContact CB-OE1 3.39Å; A299-L361 HydrophobicContact CB-CD2 4.14Å
300	G	82.6	Confident	88.9	Confident	32 Å²	32	41.6 Å²	41.6	33%	0.33	22%	0.222	S	C	.	.			trans	88.5	-2.1	177	0	0	0	0	0	115.6	K296 T297 I298	K296-G300 WeakPolarHBondContact CD-O 3.14Å; K296-G300 WeakPolarHBondContact CE-O 3.46Å; K296-G300 PolarHBondContact NZ-O 2.91Å; T297-G300 PolarHBondContact O-N 3.02Å; I298-G300 VanDerWaalsContact C-N 3.26Å; I298-G300 PolarHBondContact O-N 2.82Å
301	E	85	Confident	89.1	Confident	48 Å²	48	41.2 Å²	41.2	22%	0.224	22%	0.22	C	C	.	.			trans	-60.1	144.6	173.2	-58.5	138.4	-166.1	0	0	110.5	K296 T297 A299 L361	K296-E301 CarbonylContact C-O 3.59Å; K296-E301 WeakPolarHBondContact CA-O 3.29Å; K296-E301 WeakPolarHBondContact CB-O 3.32Å; T297-E301 HydrophobicContact CG2-CB 4.3Å; T297-E301 WeakPolarHBondContact CG2-OE2 3.38Å; T297-E301 PolarHBondContact N-O 2.83Å; T297-E301 WeakPolarHBondContact OG1-CB 3.34Å; T297-E301 PolarHBondContact OG1-N 2.98Å; T297-E301 PolarHBondContact OG1-OE2 3.27Å; A299-E301 WeakPolarHBondContact CB-OE1 3.39Å; E301-L361 WeakPolarHBondContact OE1-CD2 3.47Å; E301-L361 WeakPolarHBondContact OE2-CD2 3.45Å; E301-L361 WeakPolarHBondContact OE2-CG 3.34Å
302	S	86.5	Confident	89.2	Confident	78 Å²	78	39.7 Å²	39.7	55%	0.545	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134	178.9	-57.4	0	0	0	0	111.2	H316	S302-H316 PolarHBondContact O-ND1 3.48Å; S302-H316 VanDerWaalsContact O-ND1 3.15Å
303	I	90.8	Very high	89.2	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.4	-178.6	53.5	160.8	0	0	0	110.8	A295 T297 L314 Y315 F386	A295-I303 HydrophobicContact CB-CD1 4.24Å; A295-I303 HydrophobicContact CB-CG1 4.14Å; A295-I303 PolarHBondContact N-O 2.86Å; A295-I303 WeakPolarHBondContact O-CG1 3.47Å; A295-I303 PolarHBondContact O-N 3.43Å; T297-I303 HydrophobicContact CG2-CD1 4.14Å; T297-I303 HydrophobicContact CG2-CG1 4.42Å; T297-I303 HydrophobicContact CG2-CG2 3.86Å; I303-L314 HydrophobicContact CB-CD1 4.14Å; I303-L314 HydrophobicContact CD1-CD1 3.73Å; I303-L314 HydrophobicContact CG2-CD1 4.35Å; I303-Y315 WeakPolarHBondContact CA-O 3.31Å; I303-Y315 WeakPolarHBondContact CB-O 3.25Å; I303-F386 HydrophobicContact CD1-CB 4.39Å; I303-F386 HydrophobicContact CD1-CD1 3.31Å; I303-F386 HydrophobicContact CD1-CE1 3.78Å; I303-F386 HydrophobicContact CD1-CG 4.1Å
304	C	89.2	Confident	89.2	Confident	35 Å²	35	36.9 Å²	36.9	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.2	169.6	-71	0	0	0	0	109.9	F292 H293 Y315	F292-C304 HydrophobicContact CD1-CB 3.97Å; F292-C304 HydrophobicContact CE1-CB 4.48Å; H293-C304 WeakPolarHBondContact O-CA 3.42Å; C304-Y315 PolarHBondContact N-O 2.86Å; C304-Y315 PolarHBondContact O-N 3.37Å
305	L	92.2	Very high	88.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.6	170.9	-67.9	167	0	0	0	108.2	F292 H293 A295 I312 L313 L314 F339 F386 L397	F292-L305 CarbonylContact C-O 3.25Å; F292-L305 WeakPolarHBondContact CA-O 3.49Å; H293-L305 PolarHBondContact N-O 3.12Å; H293-L305 PolarHBondContact O-N 2.92Å; A295-L305 HydrophobicContact CB-CD1 4.39Å; L305-I312 HydrophobicContact CD2-CG2 4.15Å; L305-L313 CarbonylContact C-O 3.56Å; L305-L313 WeakPolarHBondContact CA-O 3.31Å; L305-L314 HydrophobicContact CD2-CB 4.39Å; L305-L314 HydrophobicContact CD2-CD1 3.74Å; L305-F339 HydrophobicContact CD1-CD1 3.98Å; L305-F339 HydrophobicContact CD1-CE1 4.27Å; L305-F386 HydrophobicContact CD1-CB 4.15Å; L305-F386 HydrophobicContact CD1-CD2 3.75Å; L305-F386 HydrophobicContact CD1-CE2 4.3Å; L305-F386 HydrophobicContact CD1-CG 3.97Å; L305-F386 HydrophobicContact CD2-CD2 4.38Å; L305-F386 HydrophobicContact CD2-CE2 4.13Å; L305-F386 HydrophobicContact CD2-CZ 4.27Å; L305-L397 HydrophobicContact CD1-CD2 3.71Å
306	G	91.3	Very high	88.4	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123	177.2	0	0	0	0	0	110.6	E291 I312 L313	E291-G306 CarbonylContact O-C 3.58Å; E291-G306 WeakPolarHBondContact O-CA 3.41Å; G306-I312 CarbonylContact O-C 3.58Å; G306-I312 WeakPolarHBondContact O-CA 3.37Å; G306-L313 PolarHBondContact N-O 2.95Å; G306-L313 PolarHBondContact O-N 2.82Å
307	V	93.1	Very high	87.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.8	177.8	-161.9	0	0	0	0	109	E291 W326 L397 C401 Q404	E291-V307 PolarHBondContact N-O 2.89Å; E291-V307 PolarHBondContact O-N 2.85Å; V307-W326 HydrophobicContact CG1-CH2 3.93Å; V307-W326 HydrophobicContact CG1-CZ2 4.19Å; V307-L397 HydrophobicContact CG2-CD1 3.73Å; V307-C401 HydrophobicContact CG1-CB 4.44Å; V307-C401 VanDerWaalsContact CG2-SG 3.55Å; V307-Q404 HydrophobicContact CG1-CB 4.12Å; V307-Q404 HydrophobicContact CG1-CG 3.79Å
308	Y	93.1	Very high	86.6	Confident	17 Å²	17	37.5 Å²	37.5	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	-177.8	-176.4	83.7	-62.8	0	0	0	111.5	G310 G311 L313 R323 W326	Y308-G310 VanDerWaalsContact C-N 3.28Å; Y308-G310 PolarHBondContact O-N 3.15Å; Y308-G311 VanDerWaalsContact CD1-O 3.29Å; Y308-G311 WeakPolarHBondContact CD1-O 3.36Å; Y308-G311 VanDerWaalsContact CE1-N 3.29Å; Y308-G311 PolarHBondContact N-O 3.48Å; Y308-G311 VanDerWaalsContact N-O 3.11Å; Y308-G311 PolarHBondContact O-N 2.78Å; Y308-L313 HydrophobicContact CD1-CD1 4.17Å; Y308-L313 HydrophobicContact CD1-CD2 4.23Å; Y308-L313 HydrophobicContact CD1-CG 3.86Å; Y308-L313 HydrophobicContact CE1-CD1 4.32Å; Y308-L313 HydrophobicContact CE1-CD2 3.64Å; Y308-L313 HydrophobicContact CE1-CG 3.8Å; Y308-R323 VanDerWaalsContact OH-CZ 3.32Å; Y308-R323 PolarHBondContact OH-NE 2.71Å; Y308-W326 WeakPolarHBondContact O-CZ2 3.38Å
309	H	89.6	Confident	85.9	Confident	45 Å²	45	38.3 Å²	38.3	21%	0.208	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.6	-173.9	65.4	80	0	0	0	114.3	W326 F408	H309-W326 PolarHBondContact O-NE1 2.87Å; H309-F408 HydrophobicContact CB-CD1 4.06Å; H309-F408 HydrophobicContact CB-CD2 3.83Å; H309-F408 HydrophobicContact CB-CE1 3.86Å; H309-F408 HydrophobicContact CB-CE2 3.6Å; H309-F408 HydrophobicContact CB-CG 4.05Å; H309-F408 HydrophobicContact CB-CZ 3.62Å
310	G	88.4	Confident	85.9	Confident	12 Å²	12	41 Å²	41	12%	0.124	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-16	-177.1	0	0	0	0	0	115.7	Y308 L325 W326	Y308-G310 VanDerWaalsContact C-N 3.28Å; Y308-G310 PolarHBondContact O-N 3.15Å; G310-L325 WeakPolarHBondContact O-CA 3.3Å; G310-W326 VanDerWaalsContact C-CD1 3.47Å; G310-W326 PolarHBondContact O-N 3.49Å
311	G	92.6	Very high	85.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-145.3	-174	0	0	0	0	0	115.9	Y308 F324 W326	Y308-G311 VanDerWaalsContact CD1-O 3.29Å; Y308-G311 WeakPolarHBondContact CD1-O 3.36Å; Y308-G311 VanDerWaalsContact CE1-N 3.29Å; Y308-G311 PolarHBondContact N-O 3.48Å; Y308-G311 VanDerWaalsContact N-O 3.11Å; Y308-G311 PolarHBondContact O-N 2.78Å; G311-F324 VanDerWaalsContact CA-O 3.3Å; G311-F324 WeakPolarHBondContact CA-O 3.49Å; G311-W326 VanDerWaalsContact CA-CE2 3.46Å
312	I	93.9	Very high	86	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.3	178.9	-57.7	172.2	0	0	0	109.2	L305 G306 F324 W326 I329 I332 F339 I341 C401	L305-I312 HydrophobicContact CD2-CG2 4.15Å; G306-I312 CarbonylContact O-C 3.58Å; G306-I312 WeakPolarHBondContact O-CA 3.37Å; I312-F324 PolarHBondContact N-O 2.74Å; I312-F324 WeakPolarHBondContact O-CD2 3.3Å; I312-F324 PolarHBondContact O-N 2.84Å; I312-W326 HydrophobicContact CD1-CH2 4.39Å; I312-W326 HydrophobicContact CD1-CZ3 4.06Å; I312-W326 HydrophobicContact CG1-CH2 3.88Å; I312-W326 HydrophobicContact CG1-CZ3 3.87Å; I312-I329 HydrophobicContact CD1-CD1 3.99Å; I312-I329 HydrophobicContact CG1-CD1 4.18Å; I312-I332 HydrophobicContact CD1-CD1 4.15Å; I312-F339 HydrophobicContact CD1-CZ 4.45Å; I312-I341 HydrophobicContact CD1-CD1 3.84Å; I312-I341 HydrophobicContact CG2-CD1 4.14Å; I312-C401 HydrophobicContact CD1-CB 4.22Å; I312-C401 VanDerWaalsContact CD1-SG 3.57Å
313	L	91.1	Very high	86.2	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.1	174	-53.5	178.9	0	0	0	110.2	V290 L305 G306 Y308 Y315 N322 R323	V290-L313 HydrophobicContact CG1-CD1 4.4Å; V290-L313 HydrophobicContact CG2-CD1 4.12Å; L305-L313 CarbonylContact C-O 3.56Å; L305-L313 WeakPolarHBondContact CA-O 3.31Å; G306-L313 PolarHBondContact N-O 2.95Å; G306-L313 PolarHBondContact O-N 2.82Å; Y308-L313 HydrophobicContact CD1-CD1 4.17Å; Y308-L313 HydrophobicContact CD1-CD2 4.23Å; Y308-L313 HydrophobicContact CD1-CG 3.86Å; Y308-L313 HydrophobicContact CE1-CD1 4.32Å; Y308-L313 HydrophobicContact CE1-CD2 3.64Å; Y308-L313 HydrophobicContact CE1-CG 3.8Å; L313-Y315 HydrophobicContact CB-CD2 4.14Å; L313-Y315 HydrophobicContact CB-CE2 3.6Å; L313-Y315 HydrophobicContact CD1-CE2 3.95Å; L313-Y315 HydrophobicContact CG-CE2 4.43Å; L313-N322 WeakPolarHBondContact CA-O 3.41Å; L313-R323 HydrophobicContact CD2-CB 3.83Å; L313-R323 HydrophobicContact CD2-CG 3.84Å
314	L	89.4	Confident	86.2	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.12	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.6	173.1	175.7	64.8	0	0	0	109.6	I303 L305 V321 N322 F324 F386	I303-L314 HydrophobicContact CB-CD1 4.14Å; I303-L314 HydrophobicContact CD1-CD1 3.73Å; I303-L314 HydrophobicContact CG2-CD1 4.35Å; L305-L314 HydrophobicContact CD2-CB 4.39Å; L305-L314 HydrophobicContact CD2-CD1 3.74Å; L314-V321 HydrophobicContact CG-CB 4.42Å; L314-V321 PolarHBondContact O-N 3.01Å; L314-N322 HydrophobicContact CB-CB 3.99Å; L314-N322 HydrophobicContact CD2-CB 4.27Å; L314-N322 PolarHBondContact N-O 2.61Å; L314-N322 PolarHBondContact O-N 3.08Å; L314-F324 HydrophobicContact CB-CE2 4.2Å; L314-F386 HydrophobicContact CD1-CE1 4.26Å
315	Y	84.1	Confident	86.3	Confident	15 Å²	15	41.8 Å²	41.8	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.7	178	-72.5	-105.2	0	0	0	111.6	L287 F292 I303 C304 L313 L319 R320	L287-Y315 HydrophobicContact CD2-CE1 4.31Å; L287-Y315 VanDerWaalsContact CD2-OH 3.28Å; L287-Y315 WeakPolarHBondContact CD2-OH 3.34Å; F292-Y315 AromaticContact CE1-CD2 3.75Å; F292-Y315 HydrophobicContact CE1-CD2 3.75Å; F292-Y315 AromaticContact CE1-CE2 3.84Å; F292-Y315 HydrophobicContact CE1-CE2 3.84Å; F292-Y315 HydrophobicContact CE1-CG 4.14Å; F292-Y315 HydrophobicContact CZ-CE2 4.21Å; I303-Y315 WeakPolarHBondContact CA-O 3.31Å; I303-Y315 WeakPolarHBondContact CB-O 3.25Å; C304-Y315 PolarHBondContact N-O 2.86Å; C304-Y315 PolarHBondContact O-N 3.37Å; L313-Y315 HydrophobicContact CB-CD2 4.14Å; L313-Y315 HydrophobicContact CB-CE2 3.6Å; L313-Y315 HydrophobicContact CD1-CE2 3.95Å; L313-Y315 HydrophobicContact CG-CE2 4.43Å; Y315-L319 CarbonylContact C-O 3.46Å; Y315-L319 WeakPolarHBondContact CA-O 3.3Å; Y315-R320 HydrophobicContact CD1-CB 4.07Å; Y315-R320 HydrophobicContact CE1-CB 3.65Å; Y315-R320 HydrophobicContact CE1-CG 4.3Å; Y315-R320 HydrophobicContact CE2-CB 4.46Å; Y315-R320 HydrophobicContact CE2-CG 4.26Å
316	H	81.7	Confident	86.3	Confident	97 Å²	97	42.1 Å²	42.1	45%	0.449	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.2	168.3	-176.4	72.5	0	0	0	108.5	S302 M318 L319 V321	S302-H316 PolarHBondContact O-ND1 3.48Å; S302-H316 VanDerWaalsContact O-ND1 3.15Å; H316-M318 PolarHBondContact O-N 3Å; H316-L319 PolarHBondContact N-O 2.84Å; H316-L319 PolarHBondContact O-N 2.8Å; H316-V321 HydrophobicContact CB-CG2 3.67Å
317	G	73.6	Confident	86	Confident	61 Å²	61	44.8 Å²	44.8	63%	0.629	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-123.9	-163.3	0	0	0	0	0	110.9
318	M	67.5	Low	85.7	Confident	137 Å²	137	46.1 Å²	46.1	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.3	175.3	-61.2	-63.2	-69.9	0	0	113.6	H316 P489	H316-M318 PolarHBondContact O-N 3Å; M318-P489 HydrophobicContact CE-CG 4.08Å
319	L	69	Low	85.5	Confident	134 Å²	134	46 Å²	46	70%	0.702	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.8	-171.6	-63.2	175.4	0	0	0	111.9	Y315 H316 V321	Y315-L319 CarbonylContact C-O 3.46Å; Y315-L319 WeakPolarHBondContact CA-O 3.3Å; H316-L319 PolarHBondContact N-O 2.84Å; H316-L319 PolarHBondContact O-N 2.8Å; L319-V321 PolarHBondContact O-N 3.16Å
320	R	80.3	Confident	85.5	Confident	110 Å²	110	46.4 Å²	46.4	42%	0.415	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.8	173.7	-175	175.2	63.5	-169.2	-3.4	109.4	Y315 Y492	Y315-R320 HydrophobicContact CD1-CB 4.07Å; Y315-R320 HydrophobicContact CE1-CB 3.65Å; Y315-R320 HydrophobicContact CE1-CG 4.3Å; Y315-R320 HydrophobicContact CE2-CB 4.46Å; Y315-R320 HydrophobicContact CE2-CG 4.26Å; R320-Y492 PolarHBondContact NH2-O 2.97Å
321	V	82.3	Confident	85.5	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.436	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-31.6	-176.4	-179.3	0	0	0	0	112.4	L314 H316 L319	L314-V321 HydrophobicContact CG-CB 4.42Å; L314-V321 PolarHBondContact O-N 3.01Å; H316-V321 HydrophobicContact CB-CG2 3.67Å; L319-V321 PolarHBondContact O-N 3.16Å
322	N	86	Confident	85.5	Confident	45 Å²	45	51.8 Å²	51.8	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.7	-178.7	-146.6	-16.6	0	0	0	113.5	L313 L314 F324	L313-N322 WeakPolarHBondContact CA-O 3.41Å; L314-N322 HydrophobicContact CB-CB 3.99Å; L314-N322 HydrophobicContact CD2-CB 4.27Å; L314-N322 PolarHBondContact N-O 2.61Å; L314-N322 PolarHBondContact O-N 3.08Å; N322-F324 HydrophobicContact CB-CE2 4.26Å; N322-F324 HydrophobicContact CB-CZ 4.01Å; N322-F324 WeakPolarHBondContact ND2-CE1 3.37Å; N322-F324 WeakPolarHBondContact ND2-CZ 3.32Å
323	R	90.3	Very high	85.5	Confident	79 Å²	79	55 Å²	55	30%	0.298	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.9	173.7	171.1	174.4	170.4	171.9	-6	107.7	Y308 L313 L325 E494 D1117	Y308-R323 VanDerWaalsContact OH-CZ 3.32Å; Y308-R323 PolarHBondContact OH-NE 2.71Å; L313-R323 HydrophobicContact CD2-CB 3.83Å; L313-R323 HydrophobicContact CD2-CG 3.84Å; R323-L325 HydrophobicContact CG-CD2 3.93Å; R323-E494 IonicContact NH1-OE1 2.79Å; R323-D1117 IonicContact CZ-OD2 2.76Å; R323-D1117 IonicContact NH2-OD1 2.73Å; R323-D1117 PolarHBondContact NH2-OD1 3.24Å; R323-D1117 IonicContact NH2-OD2 3.52Å; R323-D1117 PolarHBondContact NH2-OD2 2.88Å
324	F	91.5	Very high	85.6	Confident	13 Å²	13	59 Å²	59	6%	0.057	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.8	174.9	-53.5	-70.3	0	0	0	108.8	G311 I312 L314 N322 I329 V343 L384	G311-F324 VanDerWaalsContact CA-O 3.3Å; G311-F324 WeakPolarHBondContact CA-O 3.49Å; I312-F324 PolarHBondContact N-O 2.74Å; I312-F324 WeakPolarHBondContact O-CD2 3.3Å; I312-F324 PolarHBondContact O-N 2.84Å; L314-F324 HydrophobicContact CB-CE2 4.2Å; N322-F324 HydrophobicContact CB-CE2 4.26Å; N322-F324 HydrophobicContact CB-CZ 4.01Å; N322-F324 WeakPolarHBondContact ND2-CE1 3.37Å; N322-F324 WeakPolarHBondContact ND2-CZ 3.32Å; F324-I329 HydrophobicContact CB-CD1 4.03Å; F324-I329 HydrophobicContact CB-CG1 4.11Å; F324-V343 HydrophobicContact CD1-CG1 4.35Å; F324-V343 HydrophobicContact CD1-CG2 4.06Å; F324-L384 HydrophobicContact CE1-CD1 3.59Å; F324-L384 HydrophobicContact CE2-CD1 3.98Å; F324-L384 HydrophobicContact CZ-CD1 3.26Å
325	L	90.9	Very high	85.7	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	150.9	-178.7	-55.5	178.3	0	0	0	111.3	G310 R323 P327 Q328 I329 D1117	G310-L325 WeakPolarHBondContact O-CA 3.3Å; R323-L325 HydrophobicContact CG-CD2 3.93Å; L325-P327 VanDerWaalsContact C-CD 3.49Å; L325-P327 VanDerWaalsContact C-N 3.3Å; L325-Q328 HydrophobicContact CB-CG 4.07Å; L325-Q328 WeakPolarHBondContact O-CB 3.22Å; L325-Q328 PolarHBondContact O-N 2.78Å; L325-I329 PolarHBondContact O-N 3.16Å; L325-D1117 VanDerWaalsContact CD2-OD2 3.24Å; L325-D1117 WeakPolarHBondContact CD2-OD2 3.32Å
326	W	91.7	Very high	86	Confident	8 Å²	8	68.9 Å²	68.9	3%	0.03	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.3	174.4	-64.7	131.1	0	0	0	114.1	V307 Y308 H309 G310 G311 I312 Q328 I329 I332 C401 Q404 H405 R409	V307-W326 HydrophobicContact CG1-CH2 3.93Å; V307-W326 HydrophobicContact CG1-CZ2 4.19Å; Y308-W326 WeakPolarHBondContact O-CZ2 3.38Å; H309-W326 PolarHBondContact O-NE1 2.87Å; G310-W326 VanDerWaalsContact C-CD1 3.47Å; G310-W326 PolarHBondContact O-N 3.49Å; G311-W326 VanDerWaalsContact CA-CE2 3.46Å; I312-W326 HydrophobicContact CD1-CH2 4.39Å; I312-W326 HydrophobicContact CD1-CZ3 4.06Å; I312-W326 HydrophobicContact CG1-CH2 3.88Å; I312-W326 HydrophobicContact CG1-CZ3 3.87Å; W326-Q328 VanDerWaalsContact C-N 3.32Å; W326-Q328 PolarHBondContact O-N 3.3Å; W326-I329 HydrophobicContact CE3-CD1 3.79Å; W326-I329 HydrophobicContact CZ3-CD1 3.99Å; W326-I329 PolarHBondContact O-N 3.34Å; W326-I332 HydrophobicContact CZ3-CD1 3.93Å; W326-C401 HydrophobicContact CH2-CB 4.26Å; W326-Q404 HydrophobicContact CH2-CB 4.23Å; W326-Q404 HydrophobicContact CZ2-CB 3.61Å; W326-H405 HydrophobicContact CD2-CB 3.94Å; W326-H405 AromaticContact CD2-CD2 3.8Å; W326-H405 HydrophobicContact CE3-CB 3.81Å; W326-H405 AromaticContact CE3-CD2 3.63Å; W326-H405 AromaticContact CG-CD2 3.92Å; W326-H405 HydrophobicContact CH2-CB 4.28Å; W326-H405 HydrophobicContact CZ2-CB 4.39Å; W326-H405 HydrophobicContact CZ3-CB 3.99Å; W326-R409 PolarHBondContact O-NH1 3.1Å
327	P	87	Confident	86.6	Confident	56 Å²	56	68.5 Å²	68.5	36%	0.364	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.9	174.3	-25.5	37.6	0	0	0	115.7	L325	L325-P327 VanDerWaalsContact C-CD 3.49Å; L325-P327 VanDerWaalsContact C-N 3.3Å
328	Q	86.9	Confident	87.5	Confident	28 Å²	28	68.2 Å²	68.2	13%	0.131	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-28.4	-178.7	-62.1	166.5	-13.4	0	0	112	L325 W326 V330 V343 R344 M346	L325-Q328 HydrophobicContact CB-CG 4.07Å; L325-Q328 WeakPolarHBondContact O-CB 3.22Å; L325-Q328 PolarHBondContact O-N 2.78Å; W326-Q328 VanDerWaalsContact C-N 3.32Å; W326-Q328 PolarHBondContact O-N 3.3Å; Q328-V330 PolarHBondContact O-N 3.23Å; Q328-V343 HydrophobicContact CB-CG1 3.97Å; Q328-V343 WeakPolarHBondContact O-CA 3.44Å; Q328-V343 WeakPolarHBondContact O-CG1 3.37Å; Q328-R344 PolarHBondContact O-N 2.64Å; Q328-M346 HydrophobicContact CG-CE 4.11Å
329	I	88.8	Confident	88.8	Confident	13 Å²	13	61.7 Å²	61.7	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.2	-178	-63.3	162.9	0	0	0	110.5	I312 F324 L325 W326 I332 I341 V343	I312-I329 HydrophobicContact CD1-CD1 3.99Å; I312-I329 HydrophobicContact CG1-CD1 4.18Å; F324-I329 HydrophobicContact CB-CD1 4.03Å; F324-I329 HydrophobicContact CB-CG1 4.11Å; L325-I329 PolarHBondContact O-N 3.16Å; W326-I329 HydrophobicContact CE3-CD1 3.79Å; W326-I329 HydrophobicContact CZ3-CD1 3.99Å; W326-I329 PolarHBondContact O-N 3.34Å; I329-I332 HydrophobicContact CG2-CD1 4.01Å; I329-I332 HydrophobicContact CG2-CG1 3.56Å; I329-I341 HydrophobicContact CG1-CG2 4.07Å; I329-I341 HydrophobicContact CG2-CG2 3.88Å; I329-V343 HydrophobicContact CG1-CG2 4.45Å
330	V	87.8	Confident	89.9	Confident	54 Å²	54	57 Å²	57	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-39.5	176.7	-176.9	0	0	0	0	111.5	Q328 V342 R344	Q328-V330 PolarHBondContact O-N 3.23Å; V330-V342 HydrophobicContact CB-CB 4.37Å; V330-V342 HydrophobicContact CB-CG1 4.17Å; V330-V342 PolarHBondContact N-O 3.27Å; V330-R344 HydrophobicContact CG2-CB 4.43Å; V330-R344 HydrophobicContact CG2-CG 3.33Å
331	K	90	Very high	90.5	Very high	99 Å²	99	51.8 Å²	51.8	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	142.8	-172.3	-157.4	176.8	-175.4	178.1	0	112.3	L333 V342	K331-L333 HydrophobicContact CD-CD1 3.99Å; K331-L333 HydrophobicContact CD-CG 4.23Å; K331-L333 HydrophobicContact CG-CD1 4.48Å; K331-L333 HydrophobicContact CG-CG 4.26Å; K331-V342 HydrophobicContact CB-CB 3.95Å; K331-V342 HydrophobicContact CB-CG2 4.06Å; K331-V342 PolarHBondContact N-O 3.49Å; K331-V342 PolarHBondContact O-N 3.44Å
332	I	92.6	Very high	90.9	Very high	26 Å²	26	49.2 Å²	49.2	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.6	173.4	-45.7	-178.7	0	0	0	108.9	I312 W326 I329 F339 W398 C401	I312-I332 HydrophobicContact CD1-CD1 4.15Å; W326-I332 HydrophobicContact CZ3-CD1 3.93Å; I329-I332 HydrophobicContact CG2-CD1 4.01Å; I329-I332 HydrophobicContact CG2-CG1 3.56Å; I332-F339 HydrophobicContact CG2-CD2 4.45Å; I332-F339 HydrophobicContact CG2-CE1 4.43Å; I332-F339 HydrophobicContact CG2-CE2 3.33Å; I332-F339 HydrophobicContact CG2-CZ 3.33Å; I332-W398 PolarHBondContact O-NE1 2.82Å; I332-W398 VanDerWaalsContact O-NE1 3.14Å; I332-C401 HydrophobicContact CD1-CB 3.83Å; I332-C401 HydrophobicContact CG2-CB 4.37Å
333	L	93.2	Very high	91.1	Very high	69 Å²	69	47.7 Å²	47.7	36%	0.361	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.5	-174.9	-75.6	170	0	0	0	110.7	K331 F339 I340	K331-L333 HydrophobicContact CD-CD1 3.99Å; K331-L333 HydrophobicContact CD-CG 4.23Å; K331-L333 HydrophobicContact CG-CD1 4.48Å; K331-L333 HydrophobicContact CG-CG 4.26Å; L333-F339 WeakPolarHBondContact O-CD2 3.48Å; L333-I340 HydrophobicContact CB-CB 4.16Å; L333-I340 PolarHBondContact N-O 3.12Å; L333-I340 PolarHBondContact O-N 3.46Å
334	Y	92.6	Very high	90.6	Very high	87 Å²	87	50.4 Å²	50.4	34%	0.341	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.3	162	78.9	-79.2	0	0	0	110.1	N338 K395 W398	Y334-N338 CarbonylContact C-O 3.56Å; Y334-N338 VanDerWaalsContact CA-O 3.29Å; Y334-N338 WeakPolarHBondContact CA-O 3.34Å; Y334-K395 HydrophobicContact CD2-CB 4.14Å; Y334-K395 HydrophobicContact CE1-CG 4.3Å; Y334-K395 HydrophobicContact CE2-CB 3.82Å; Y334-K395 HydrophobicContact CE2-CD 4.47Å; Y334-K395 HydrophobicContact CE2-CG 4.04Å; Y334-W398 HydrophobicContact CD1-CB 3.69Å; Y334-W398 AromaticContact CD1-CD1 3.89Å; Y334-W398 AromaticContact CD1-CD2 3.65Å; Y334-W398 HydrophobicContact CD1-CD2 3.65Å; Y334-W398 HydrophobicContact CD1-CE3 4.11Å; Y334-W398 AromaticContact CD1-CG 3.45Å; Y334-W398 HydrophobicContact CD1-CG 3.45Å; Y334-W398 VanDerWaalsContact CD1-CG 3.45Å; Y334-W398 HydrophobicContact CE1-CB 4.47Å; Y334-W398 AromaticContact CE1-CD2 3.84Å; Y334-W398 HydrophobicContact CE1-CD2 3.84Å; Y334-W398 AromaticContact CE1-CE3 3.85Å; Y334-W398 HydrophobicContact CE1-CE3 3.85Å; Y334-W398 HydrophobicContact CE1-CG 4.13Å; Y334-W398 HydrophobicContact CE1-CZ3 4.41Å; Y334-W398 HydrophobicContact CG-CB 4.18Å; Y334-W398 HydrophobicContact CG-CG 4.34Å
335	K	91.6	Very high	89.2	Confident	164 Å²	164	51 Å²	51	71%	0.713	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.8	110.6	176.6	-173.6	-178.3	-179.9	-175.7	0	109.5	K337 N338	K335-K337 PolarHBondContact O-N 2.9Å; K335-N338 PolarHBondContact N-O 3.28Å; K335-N338 PolarHBondContact O-N 3.37Å
336	S	91.5	Very high	87.3	Confident	82 Å²	82	54.6 Å²	54.6	57%	0.573	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-126.5	-170.2	-174.5	0	0	0	0	110.2	N338 P391	S336-N338 VanDerWaalsContact C-N 3.3Å; S336-N338 PolarHBondContact O-N 3.21Å; S336-P391 WeakPolarHBondContact O-CA 3.26Å
337	K	92.7	Very high	84.6	Confident	89 Å²	89	61.9 Å²	61.9	39%	0.387	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.6	176.7	-66.5	-166.6	-175.9	-160	0	115	K335 Q387 C388 T389 P391	K335-K337 PolarHBondContact O-N 2.9Å; K337-Q387 HydrophobicContact CB-CG 4.26Å; K337-C388 WeakPolarHBondContact CB-O 3.43Å; K337-C388 PolarHBondContact O-N 2.83Å; K337-T389 WeakPolarHBondContact CD-O 3.49Å; K337-T389 WeakPolarHBondContact CE-O 3.45Å; K337-T389 PolarHBondContact NZ-O 3.13Å; K337-P391 HydrophobicContact CG-CG 3.88Å
338	N	93.3	Very high	81.9	Confident	56 Å²	56	64.2 Å²	64.2	30%	0.299	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.3	-172	-64.6	5.7	0	0	0	111.3	Y334 K335 S336 T385 F386	Y334-N338 CarbonylContact C-O 3.56Å; Y334-N338 VanDerWaalsContact CA-O 3.29Å; Y334-N338 WeakPolarHBondContact CA-O 3.34Å; K335-N338 PolarHBondContact N-O 3.28Å; K335-N338 PolarHBondContact O-N 3.37Å; S336-N338 VanDerWaalsContact C-N 3.3Å; S336-N338 PolarHBondContact O-N 3.21Å; N338-T385 HydrophobicContact CB-CG2 4.1Å; N338-F386 CarbonylContact C-O 3.52Å; N338-F386 WeakPolarHBondContact CA-O 3.29Å
339	F	94.1	Very high	79.2	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.4	166.6	-178.8	-110.2	0	0	0	108.9	L305 I312 I332 L333 I341 T385 F386 L397 W398 C401	L305-F339 HydrophobicContact CD1-CD1 3.98Å; L305-F339 HydrophobicContact CD1-CE1 4.27Å; I312-F339 HydrophobicContact CD1-CZ 4.45Å; I332-F339 HydrophobicContact CG2-CD2 4.45Å; I332-F339 HydrophobicContact CG2-CE1 4.43Å; I332-F339 HydrophobicContact CG2-CE2 3.33Å; I332-F339 HydrophobicContact CG2-CZ 3.33Å; L333-F339 WeakPolarHBondContact O-CD2 3.48Å; F339-I341 HydrophobicContact CD1-CG1 4.21Å; F339-I341 HydrophobicContact CE1-CD1 3.87Å; F339-I341 HydrophobicContact CE1-CG1 3.62Å; F339-I341 HydrophobicContact CZ-CG1 4.25Å; F339-T385 WeakPolarHBondContact O-CA 3.37Å; F339-F386 HydrophobicContact CD1-CD2 4.21Å; F339-F386 PolarHBondContact N-O 2.79Å; F339-F386 PolarHBondContact O-N 3.11Å; F339-L397 HydrophobicContact CB-CD2 4Å; F339-L397 HydrophobicContact CD1-CD2 3.36Å; F339-L397 HydrophobicContact CD1-CG 3.92Å; F339-L397 HydrophobicContact CD2-CB 4.43Å; F339-L397 HydrophobicContact CD2-CD2 3.99Å; F339-L397 HydrophobicContact CD2-CG 3.88Å; F339-L397 HydrophobicContact CE1-CD1 4.27Å; F339-L397 HydrophobicContact CE1-CD2 3.7Å; F339-L397 HydrophobicContact CE1-CG 3.81Å; F339-L397 HydrophobicContact CE2-CD2 4.29Å; F339-L397 HydrophobicContact CE2-CG 3.78Å; F339-L397 HydrophobicContact CG-CD2 3.52Å; F339-L397 HydrophobicContact CG-CG 3.94Å; F339-L397 HydrophobicContact CZ-CD1 4.23Å; F339-L397 HydrophobicContact CZ-CD2 4.15Å; F339-L397 HydrophobicContact CZ-CG 3.74Å; F339-W398 HydrophobicContact CD2-CB 4.29Å; F339-W398 HydrophobicContact CE2-CB 4.03Å; F339-C401 HydrophobicContact CZ-CB 4.44Å
340	I	93.2	Very high	76.5	Confident	35 Å²	35	69.7 Å²	69.7	18%	0.179	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.6	-169.8	-54.3	175	0	0	0	109.3	L333 T383 L384 T385	L333-I340 HydrophobicContact CB-CB 4.16Å; L333-I340 PolarHBondContact N-O 3.12Å; L333-I340 PolarHBondContact O-N 3.46Å; I340-T383 HydrophobicContact CG2-CG2 3.61Å; I340-L384 WeakPolarHBondContact CA-O 3.21Å; I340-T385 HydrophobicContact CG1-CG2 4.08Å
341	I	92.8	Very high	74	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.6	174.2	-44.2	178.1	0	0	0	108	I312 I329 F339 V343 L384 F386	I312-I341 HydrophobicContact CD1-CD1 3.84Å; I312-I341 HydrophobicContact CG2-CD1 4.14Å; I329-I341 HydrophobicContact CG1-CG2 4.07Å; I329-I341 HydrophobicContact CG2-CG2 3.88Å; F339-I341 HydrophobicContact CD1-CG1 4.21Å; F339-I341 HydrophobicContact CE1-CD1 3.87Å; F339-I341 HydrophobicContact CE1-CG1 3.62Å; F339-I341 HydrophobicContact CZ-CG1 4.25Å; I341-V343 HydrophobicContact CG2-CG2 3.71Å; I341-L384 PolarHBondContact N-O 3.17Å; I341-L384 PolarHBondContact O-N 3.4Å; I341-F386 HydrophobicContact CD1-CD2 4.5Å; I341-F386 HydrophobicContact CD1-CE2 3.82Å; I341-F386 HydrophobicContact CG1-CE2 4.15Å
342	V	90.8	Very high	71.1	Confident	18 Å²	18	72 Å²	72	11%	0.109	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	168.8	-173.3	0	0	0	0	107.8	V330 K331 D381 V382 T383	V330-V342 HydrophobicContact CB-CB 4.37Å; V330-V342 HydrophobicContact CB-CG1 4.17Å; V330-V342 PolarHBondContact N-O 3.27Å; K331-V342 HydrophobicContact CB-CB 3.95Å; K331-V342 HydrophobicContact CB-CG2 4.06Å; K331-V342 PolarHBondContact N-O 3.49Å; K331-V342 PolarHBondContact O-N 3.44Å; V342-D381 HydrophobicContact CG1-CB 3.68Å; V342-V382 WeakPolarHBondContact CA-O 3.23Å; V342-T383 HydrophobicContact CG2-CG2 4.33Å
343	V	88.9	Confident	68.3	Low	13 Å²	13	78.6 Å²	78.6	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	-173.4	-172	0	0	0	0	108.8	F324 Q328 I329 I341 S345 V382	F324-V343 HydrophobicContact CD1-CG1 4.35Å; F324-V343 HydrophobicContact CD1-CG2 4.06Å; Q328-V343 HydrophobicContact CB-CG1 3.97Å; Q328-V343 WeakPolarHBondContact O-CA 3.44Å; Q328-V343 WeakPolarHBondContact O-CG1 3.37Å; I329-V343 HydrophobicContact CG1-CG2 4.45Å; I341-V343 HydrophobicContact CG2-CG2 3.71Å; V343-S345 PolarHBondContact O-N 3.39Å; V343-V382 PolarHBondContact N-O 3.3Å; V343-V382 PolarHBondContact O-N 2.81Å
344	R	81.6	Confident	65.3	Low	136 Å²	136	78.9 Å²	78.9	51%	0.513	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	132.6	175.8	-61.4	-176.6	177	162	-1.2	110	Q328 V330 M346	Q328-R344 PolarHBondContact O-N 2.64Å; V330-R344 HydrophobicContact CG2-CB 4.43Å; V330-R344 HydrophobicContact CG2-CG 3.33Å; R344-M346 PolarHBondContact O-N 3.5Å
345	S	61.8	Low	62.3	Low	27 Å²	27	76.6 Å²	76.6	19%	0.189	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-74.3	122.4	168.3	-165.3	0	0	0	0	109.8	V343 H380	V343-S345 PolarHBondContact O-N 3.39Å; S345-H380 WeakPolarHBondContact CB-O 3.39Å; S345-H380 PolarHBondContact N-O 3.48Å
346	M	50.6	Low	59.5	Low	86 Å²	86	71.6 Å²	71.6	42%	0.424	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-87.2	126.7	168	-56.3	-55	-174.9	0	0	108.6	Q328 R344	Q328-M346 HydrophobicContact CG-CE 4.11Å; R344-M346 PolarHBondContact O-N 3.5Å
347	H	35.3	Very low	56.7	Low	161 Å²	161	71 Å²	71	75%	0.745	37%	0.371	S	S	*	.			trans	12.4	124.5	177.1	-61.5	98	0	0	0	119.4	E349 T350	H347-E349 VanDerWaalsContact C-N 3.27Å; H347-E349 PolarHBondContact O-N 2.8Å; H347-T350 PolarHBondContact O-N 3.43Å; H347-T350 PolarHBondContact O-OG1 2.86Å
348	S	30.4	Very low	53.8	Low	105 Å²	105	76.6 Å²	76.6	73%	0.734	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	-34.1	-163.5	-157.7	0	0	0	0	117.8	T350	S348-T350 VanDerWaalsContact C-N 3.34Å; S348-T350 PolarHBondContact O-N 3.47Å
349	E	29	Very low	50.8	Low	129 Å²	129	84.7 Å²	84.7	60%	0.603	42%	0.416	S	S	*	.	H	α-helix	trans	-66.6	-32.5	-174.6	-57.2	-146.1	157.1	0	0	114.3	H347 L351 S352 K353	H347-E349 VanDerWaalsContact C-N 3.27Å; H347-E349 PolarHBondContact O-N 2.8Å; E349-L351 VanDerWaalsContact C-N 3.25Å; E349-L351 PolarHBondContact O-N 3.05Å; E349-S352 PolarHBondContact O-N 3.4Å; E349-K353 PolarHBondContact O-N 3.25Å; E349-K353 IonicContact OE2-NZ 2.7Å; E349-K353 PolarHBondContact OE2-NZ 2.99Å
350	T	33.5	Very low	47.8	Very low	28 Å²	28	89.5 Å²	89.5	17%	0.172	45%	0.446	C	S	.	.	H	α-helix	trans	-74.7	-13.8	-166.6	-30.3	0	0	0	0	113.7	H347 S348 R354 H1133	H347-T350 PolarHBondContact O-N 3.43Å; H347-T350 PolarHBondContact O-OG1 2.86Å; S348-T350 VanDerWaalsContact C-N 3.34Å; S348-T350 PolarHBondContact O-N 3.47Å; T350-R354 WeakPolarHBondContact O-CD 3.34Å; T350-R354 VanDerWaalsContact O-CG 3.27Å; T350-R354 WeakPolarHBondContact O-CG 3.32Å; T350-R354 PolarHBondContact O-NE 3.09Å; T350-H1133 HydrophobicContact CG2-CB 3.59Å
351	L	33.7	Very low	44.7	Very low	93 Å²	93	90 Å²	90	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-102.3	-21.8	175	-79.9	163.8	0	0	0	113.4	E349	E349-L351 VanDerWaalsContact C-N 3.25Å; E349-L351 PolarHBondContact O-N 3.05Å
352	S	29.5	Very low	41.6	Very low	109 Å²	109	94.6 Å²	94.6	76%	0.762	48%	0.481	S	S	*	.	H	α-helix	trans	-80.8	-30.1	175.5	-84.1	0	0	0	0	113.6	E349	E349-S352 PolarHBondContact O-N 3.4Å
353	K	34.3	Very low	38.5	Very low	163 Å²	163	99.8 Å²	99.8	71%	0.709	52%	0.515	S	S	*	.	S	Bend	trans	-84.7	-8.7	177.9	-68.7	170.5	179.6	164.9	0	113.8	E349 G355	E349-K353 PolarHBondContact O-N 3.25Å; E349-K353 IonicContact OE2-NZ 2.7Å; E349-K353 PolarHBondContact OE2-NZ 2.99Å; K353-G355 PolarHBondContact O-N 3.08Å
354	R	30.5	Very low	35.7	Very low	76 Å²	76	102.6 Å²	102.6	29%	0.287	55%	0.547	S	S	.	.			trans	-85.2	80.8	178.9	-78.1	179.2	175.4	-162.8	1.1	112.7	T350 T356 H1133	T350-R354 WeakPolarHBondContact O-CD 3.34Å; T350-R354 VanDerWaalsContact O-CG 3.27Å; T350-R354 WeakPolarHBondContact O-CG 3.32Å; T350-R354 PolarHBondContact O-NE 3.09Å; R354-T356 VanDerWaalsContact C-N 3.26Å; R354-T356 PolarHBondContact O-N 3.13Å; R354-H1133 VanDerWaalsContact CZ-O 3.27Å; R354-H1133 PolarHBondContact NE-O 3.42Å; R354-H1133 PolarHBondContact NH2-O 3.43Å
355	G	28.6	Very low	33.2	Very low	38 Å²	38	97.6 Å²	97.6	39%	0.392	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.2	-177.9	0	0	0	0	0	116.2	K353 L357 R358	K353-G355 PolarHBondContact O-N 3.08Å; G355-L357 PolarHBondContact O-N 2.95Å; G355-R358 PolarHBondContact O-N 2.88Å
356	T	33.8	Very low	31.8	Very low	59 Å²	59	102.3 Å²	102.3	36%	0.362	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-64.7	-42.8	-171.3	-25.2	0	0	0	0	113.6	R354 R358 R359 T360 L1137	R354-T356 VanDerWaalsContact C-N 3.26Å; R354-T356 PolarHBondContact O-N 3.13Å; T356-R358 PolarHBondContact O-N 2.81Å; T356-R358 VanDerWaalsContact O-N 3.09Å; T356-R359 PolarHBondContact O-N 2.88Å; T356-T360 PolarHBondContact O-N 2.96Å; T356-L1137 HydrophobicContact CG2-CD2 4.04Å
357	L	32.7	Very low	30.8	Very low	70 Å²	70	108 Å²	108	37%	0.366	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-71.6	-1.9	-177.8	-79	169.1	0	0	0	114.3	G355 L361	G355-L357 PolarHBondContact O-N 2.95Å; L357-L361 HydrophobicContact CD2-CD1 4.32Å
358	R	31	Very low	30.7	Very low	207 Å²	207	105.2 Å²	105.2	78%	0.781	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-105	-4.6	170.9	-86.4	-172.2	172.2	-167.3	-0.2	114.2	G355 T356	G355-R358 PolarHBondContact O-N 2.88Å; T356-R358 PolarHBondContact O-N 2.81Å; T356-R358 VanDerWaalsContact O-N 3.09Å
359	R	29.7	Very low	30.7	Very low	225 Å²	225	105.6 Å²	105.6	85%	0.849	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-31.4	-175.8	-66.7	-172	-177.1	179.5	1.8	114.3	T356	T356-R359 PolarHBondContact O-N 2.88Å
360	T	31.1	Very low	30.8	Very low	101 Å²	101	105.8 Å²	105.8	62%	0.62	58%	0.584	S	S	*	*	S	Bend	trans	-90.4	-3.5	175.3	65.3	0	0	0	0	113.9	T356	T356-T360 PolarHBondContact O-N 2.96Å
361	L	29.1	Very low	30.8	Very low	45 Å²	45	113.9 Å²	113.9	24%	0.236	62%	0.617	C	S	.	*	S	Bend	trans	-126.5	119.5	172	-92.5	141.8	0	0	0	106.2	T297 A299 E301 L357	T297-L361 HydrophobicContact CG2-CD2 4.48Å; A299-L361 HydrophobicContact CB-CD2 4.14Å; E301-L361 WeakPolarHBondContact OE1-CD2 3.47Å; E301-L361 WeakPolarHBondContact OE2-CD2 3.45Å; E301-L361 WeakPolarHBondContact OE2-CG 3.34Å; L357-L361 HydrophobicContact CD2-CD1 4.32Å
362	S	26.8	Very low	30.5	Very low	97 Å²	97	119.1 Å²	119.1	68%	0.678	64%	0.636	S	S	*	*			trans	-56.5	136.4	-177.2	-67.7	0	0	0	0	111.7	G364	S362-G364 PolarHBondContact O-N 3.04Å
363	P	26.9	Very low	30.6	Very low	128 Å²	128	123.9 Å²	123.9	83%	0.831	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	44.8	-163.3	31.4	-38.2	0	0	0	115.5
364	G	29	Very low	30.2	Very low	72 Å²	72	121.6 Å²	121.6	74%	0.742	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	-2.3	175.2	0	0	0	0	0	115.5	S362	S362-G364 PolarHBondContact O-N 3.04Å
365	G	30.5	Very low	30	Very low	31 Å²	31	121.2 Å²	121.2	32%	0.32	67%	0.668	S	S	.	*			trans	-82.5	-21	-171.9	0	0	0	0	0	116.9
366	L	31.4	Very low	30	Very low	126 Å²	126	124.9 Å²	124.9	66%	0.66	69%	0.687	S	S	*	*			trans	-99.3	93	-173.8	-85.2	135.3	0	0	0	112.1	V368	L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.17Å
367	K	30.3	Very low	29.8	Very low	204 Å²	204	130.3 Å²	130.3	89%	0.887	71%	0.714	S	S	*	*			trans	-75.5	85.4	164.1	-82	-169.3	169.4	-179.1	0	110.9	S369	K367-S369 PolarHBondContact O-N 2.95Å
368	V	33.1	Very low	29.9	Very low	103 Å²	103	130.7 Å²	130.7	62%	0.624	72%	0.723	S	S	*	*			trans	-64.5	124.9	158	-173.8	0	0	0	0	107.5	L366 D370	L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.17Å; V368-D370 WeakPolarHBondContact CG1-OD1 3.29Å; V368-D370 PolarHBondContact O-N 2.61Å
369	S	30.1	Very low	30.8	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	72%	0.719	S	S	*	*			trans	-101.4	72.2	-176.6	65.4	0	0	0	0	111.2	K367 K371	K367-S369 PolarHBondContact O-N 2.95Å; S369-K371 PolarHBondContact O-N 2.91Å
370	D	31.1	Very low	32.4	Very low	134 Å²	134	123 Å²	123	72%	0.717	71%	0.708	S	S	*	*			trans	-68.8	92.9	-176.9	-67.3	-43.3	0	0	0	112.4	V368 K372	V368-D370 WeakPolarHBondContact CG1-OD1 3.29Å; V368-D370 PolarHBondContact O-N 2.61Å; D370-K372 PolarHBondContact O-N 2.86Å; D370-K372 VanDerWaalsContact O-N 3.17Å
371	K	33.3	Very low	34.6	Very low	197 Å²	197	122 Å²	122	86%	0.857	70%	0.699	S	S	*	*			trans	-75.6	97.2	161	-84.5	-168.1	170.5	-171.7	0	108.8	S369 F373	S369-K371 PolarHBondContact O-N 2.91Å; K371-F373 PolarHBondContact O-N 2.81Å; K371-F373 VanDerWaalsContact O-N 3.12Å
372	K	27.8	Very low	37.3	Very low	204 Å²	204	122.4 Å²	122.4	89%	0.887	70%	0.703	S	S	*	*			trans	-47.5	117.9	170.7	-69.3	-174.9	175.7	-175.6	0	110.8	D370	D370-K372 PolarHBondContact O-N 2.86Å; D370-K372 VanDerWaalsContact O-N 3.17Å
373	F	31.5	Very low	40.2	Very low	208 Å²	208	121.6 Å²	121.6	91%	0.912	69%	0.694	S	S	*	*			trans	-139.6	135.8	162.4	-121.4	-91.8	0	0	0	107.3	K371	K371-F373 PolarHBondContact O-N 2.81Å; K371-F373 VanDerWaalsContact O-N 3.12Å
374	S	26.3	Very low	43.2	Very low	116 Å²	116	117.4 Å²	117.4	81%	0.811	66%	0.664	S	S	*	*			trans	-97.2	128.4	-173	53.2	0	0	0	0	111.7
375	G	26.2	Very low	46.2	Very low	68 Å²	68	115.6 Å²	115.6	70%	0.701	64%	0.639	S	S	*	*	S	Bend	trans	111.1	142.5	165.3	0	0	0	0	0	115.5
376	S	29	Very low	49.1	Very low	114 Å²	114	114.7 Å²	114.7	80%	0.797	63%	0.626	S	S	*	*	S	Bend	trans	61.7	141.4	178.6	68.6	0	0	0	0	118.5	S378	S376-S378 PolarHBondContact O-N 2.85Å; S376-S378 VanDerWaalsContact O-N 3.15Å
377	D	29.8	Very low	52.1	Low	173 Å²	173	113.4 Å²	113.4	93%	0.925	62%	0.617	S	S	*	*			trans	-67.3	108	-173.7	-54.6	-82.2	0	0	0	111.6
378	S	35	Very low	55	Low	79 Å²	79	103.8 Å²	103.8	55%	0.552	58%	0.575	S	S	*	*			trans	-120.1	119.6	178.8	58.8	0	0	0	0	111.3	S376 H380	S376-S378 PolarHBondContact O-N 2.85Å; S376-S378 VanDerWaalsContact O-N 3.15Å; S378-H380 PolarHBondContact O-CE1 2.84Å; S378-H380 PolarHBondContact O-N 2.85Å; S378-H380 PolarHBondContact O-ND1 2.88Å
379	I	49.3	Very low	57.7	Low	136 Å²	136	103.9 Å²	103.9	70%	0.697	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.2	120.8	173.4	-60.3	169.5	0	0	0	108.3
380	H	62.6	Low	60.6	Low	135 Å²	135	99.9 Å²	99.9	63%	0.625	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-83.6	140.9	177.2	-62.3	-30.1	0	0	0	111.2	S345 S378	S345-H380 WeakPolarHBondContact CB-O 3.39Å; S345-H380 PolarHBondContact N-O 3.48Å; S378-H380 PolarHBondContact O-CE1 2.84Å; S378-H380 PolarHBondContact O-N 2.85Å; S378-H380 PolarHBondContact O-ND1 2.88Å
381	D	78.6	Confident	63.5	Low	80 Å²	80	96 Å²	96	43%	0.428	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.7	173.8	-83.9	-17.4	0	0	0	110.4	V342	V342-D381 HydrophobicContact CG1-CB 3.68Å
382	V	84.1	Confident	66.2	Low	53 Å²	53	93 Å²	93	32%	0.321	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.9	175.9	-177.3	0	0	0	0	109.6	V342 V343 L384	V342-V382 WeakPolarHBondContact CA-O 3.23Å; V343-V382 PolarHBondContact N-O 3.3Å; V343-V382 PolarHBondContact O-N 2.81Å; V382-L384 HydrophobicContact CG1-CD2 4.06Å; V382-L384 HydrophobicContact CG1-CG 4.42Å
383	T	87.8	Confident	69.2	Low	79 Å²	79	84.8 Å²	84.8	49%	0.485	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.4	177.2	-60.7	0	0	0	0	111	I340 V342	I340-T383 HydrophobicContact CG2-CG2 3.61Å; V342-T383 HydrophobicContact CG2-CG2 4.33Å
384	L	89.8	Confident	72.1	Confident	40 Å²	40	74.9 Å²	74.9	21%	0.209	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.1	176.4	-57.1	177.4	0	0	0	109.8	F324 I340 I341 V382 F386	F324-L384 HydrophobicContact CE1-CD1 3.59Å; F324-L384 HydrophobicContact CE2-CD1 3.98Å; F324-L384 HydrophobicContact CZ-CD1 3.26Å; I340-L384 WeakPolarHBondContact CA-O 3.21Å; I341-L384 PolarHBondContact N-O 3.17Å; I341-L384 PolarHBondContact O-N 3.4Å; V382-L384 HydrophobicContact CG1-CD2 4.06Å; V382-L384 HydrophobicContact CG1-CG 4.42Å; L384-F386 HydrophobicContact CB-CE2 3.87Å; L384-F386 HydrophobicContact CB-CZ 3.84Å; L384-F386 HydrophobicContact CD1-CZ 4.23Å
385	T	92	Very high	75.3	Confident	35 Å²	35	73.6 Å²	73.6	22%	0.215	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.2	178.7	-62	0	0	0	0	110.7	N338 F339 I340	N338-T385 HydrophobicContact CB-CG2 4.1Å; F339-T385 WeakPolarHBondContact O-CA 3.37Å; I340-T385 HydrophobicContact CG1-CG2 4.08Å
386	F	93	Very high	78.5	Confident	12 Å²	12	72.2 Å²	72.2	5%	0.053	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.9	-178.4	-50.3	-71.1	0	0	0	109.8	A295 K296 I303 L305 L314 N338 F339 I341 L384	A295-F386 HydrophobicContact CB-CB 4.09Å; K296-F386 CarbonylContact O-C 3.56Å; K296-F386 WeakPolarHBondContact O-CA 3.32Å; I303-F386 HydrophobicContact CD1-CB 4.39Å; I303-F386 HydrophobicContact CD1-CD1 3.31Å; I303-F386 HydrophobicContact CD1-CE1 3.78Å; I303-F386 HydrophobicContact CD1-CG 4.1Å; L305-F386 HydrophobicContact CD1-CB 4.15Å; L305-F386 HydrophobicContact CD1-CD2 3.75Å; L305-F386 HydrophobicContact CD1-CE2 4.3Å; L305-F386 HydrophobicContact CD1-CG 3.97Å; L305-F386 HydrophobicContact CD2-CD2 4.38Å; L305-F386 HydrophobicContact CD2-CE2 4.13Å; L305-F386 HydrophobicContact CD2-CZ 4.27Å; L314-F386 HydrophobicContact CD1-CE1 4.26Å; N338-F386 CarbonylContact C-O 3.52Å; N338-F386 WeakPolarHBondContact CA-O 3.29Å; F339-F386 HydrophobicContact CD1-CD2 4.21Å; F339-F386 PolarHBondContact N-O 2.79Å; F339-F386 PolarHBondContact O-N 3.11Å; I341-F386 HydrophobicContact CD1-CD2 4.5Å; I341-F386 HydrophobicContact CD1-CE2 3.82Å; I341-F386 HydrophobicContact CG1-CE2 4.15Å; L384-F386 HydrophobicContact CB-CE2 3.87Å; L384-F386 HydrophobicContact CB-CZ 3.84Å; L384-F386 HydrophobicContact CD1-CZ 4.23Å
387	Q	93	Very high	81.6	Confident	98 Å²	98	66.8 Å²	66.8	46%	0.458	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	-176.5	-175.7	176.5	86.6	0	0	111.3	A295 K296 K337	A295-Q387 CarbonylContact C-O 3.51Å; A295-Q387 WeakPolarHBondContact CA-O 3.32Å; K296-Q387 PolarHBondContact N-O 2.97Å; K296-Q387 PolarHBondContact O-N 2.9Å; K337-Q387 HydrophobicContact CB-CG 4.26Å
388	C	91.6	Very high	84.7	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.02	32%	0.318	C	S	.	.			trans	-82.9	158.8	168.9	-63.1	0	0	0	0	110.9	K337 D390 L393 A394	K337-C388 WeakPolarHBondContact CB-O 3.43Å; K337-C388 PolarHBondContact O-N 2.83Å; C388-D390 VanDerWaalsContact C-N 3.33Å; C388-D390 PolarHBondContact O-N 3.17Å; C388-L393 HydrophobicContact CB-CB 4.06Å; C388-A394 HydrophobicContact CB-CB 4.09Å
389	T	90.6	Very high	87.4	Confident	104 Å²	104	60.4 Å²	60.4	64%	0.638	30%	0.303	S	S	*	.	S	Bend	trans	-69	-29.8	178.9	49.6	0	0	0	0	113.3	K337 L393	K337-T389 WeakPolarHBondContact CD-O 3.49Å; K337-T389 WeakPolarHBondContact CE-O 3.45Å; K337-T389 PolarHBondContact NZ-O 3.13Å; T389-L393 WeakPolarHBondContact OG1-CD1 3.14Å
390	D	90.4	Very high	89.5	Confident	29 Å²	29	54.2 Å²	54.2	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-135.2	139.4	-176.6	-173.5	-59.4	0	0	0	110.5	L148 C388 R392 L393 A394	L148-D390 HydrophobicContact CD1-CB 4.37Å; C388-D390 VanDerWaalsContact C-N 3.33Å; C388-D390 PolarHBondContact O-N 3.17Å; D390-R392 PolarHBondContact O-N 2.85Å; D390-R392 WeakPolarHBondContact OD1-CA 3.34Å; D390-R392 WeakPolarHBondContact OD1-CB 3.44Å; D390-R392 VanDerWaalsContact OD1-CG 3.25Å; D390-R392 WeakPolarHBondContact OD1-CG 3.17Å; D390-R392 IonicContact OD1-CZ 3.92Å; D390-R392 PolarHBondContact OD1-N 3.27Å; D390-R392 IonicContact OD1-NE 2.72Å; D390-R392 PolarHBondContact OD1-NE 3.38Å; D390-R392 IonicContact OD2-CZ 3.68Å; D390-R392 IonicContact OD2-NE 3.66Å; D390-R392 PolarHBondContact OD2-NE 2.67Å; D390-R392 VanDerWaalsContact OD2-NE 3.14Å; D390-R392 IonicContact OD2-NH2 2.7Å; D390-R392 PolarHBondContact OD2-NH2 3.16Å; D390-L393 HydrophobicContact CB-CD1 4.18Å; D390-L393 HydrophobicContact CB-CG 4.19Å; D390-L393 WeakPolarHBondContact O-CB 3.37Å; D390-L393 PolarHBondContact O-N 2.76Å; D390-A394 PolarHBondContact O-N 2.85Å
391	P	91.8	Very high	91	Very high	52 Å²	52	47.8 Å²	47.8	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-28.4	177	-25.2	35.7	0	0	0	114.6	S336 K337 L393 A394 K395	S336-P391 WeakPolarHBondContact O-CA 3.26Å; K337-P391 HydrophobicContact CG-CG 3.88Å; P391-L393 VanDerWaalsContact C-N 3.29Å; P391-L393 PolarHBondContact O-N 3.19Å; P391-A394 PolarHBondContact O-N 2.98Å; P391-K395 WeakPolarHBondContact O-CB 3Å; P391-K395 PolarHBondContact O-N 2.94Å
392	R	90.2	Very high	91.6	Very high	134 Å²	134	46 Å²	46	51%	0.506	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-33.6	174.5	-62	173.6	-76	-179.9	-2.4	111.4	L148 D390 R396	L148-R392 HydrophobicContact CD1-CB 3.96Å; D390-R392 PolarHBondContact O-N 2.85Å; D390-R392 WeakPolarHBondContact OD1-CA 3.34Å; D390-R392 WeakPolarHBondContact OD1-CB 3.44Å; D390-R392 VanDerWaalsContact OD1-CG 3.25Å; D390-R392 WeakPolarHBondContact OD1-CG 3.17Å; D390-R392 IonicContact OD1-CZ 3.92Å; D390-R392 PolarHBondContact OD1-N 3.27Å; D390-R392 IonicContact OD1-NE 2.72Å; D390-R392 PolarHBondContact OD1-NE 3.38Å; D390-R392 IonicContact OD2-CZ 3.68Å; D390-R392 IonicContact OD2-NE 3.66Å; D390-R392 PolarHBondContact OD2-NE 2.67Å; D390-R392 VanDerWaalsContact OD2-NE 3.14Å; D390-R392 IonicContact OD2-NH2 2.7Å; D390-R392 PolarHBondContact OD2-NH2 3.16Å; R392-R396 WeakPolarHBondContact O-CB 3.4Å; R392-R396 PolarHBondContact O-N 2.72Å
393	L	91.5	Very high	92	Very high	32 Å²	32	44.3 Å²	44.3	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-75	-39.8	176.5	-63.6	175.4	0	0	0	112.1	L148 V150 C388 T389 D390 P391 K395 R396 L397	L148-L393 HydrophobicContact CD1-CD2 4.17Å; L148-L393 HydrophobicContact CD1-CG 4.15Å; V150-L393 HydrophobicContact CG1-CD2 4.25Å; V150-L393 HydrophobicContact CG2-CD2 3.73Å; C388-L393 HydrophobicContact CB-CB 4.06Å; T389-L393 WeakPolarHBondContact OG1-CD1 3.14Å; D390-L393 HydrophobicContact CB-CD1 4.18Å; D390-L393 HydrophobicContact CB-CG 4.19Å; D390-L393 WeakPolarHBondContact O-CB 3.37Å; D390-L393 PolarHBondContact O-N 2.76Å; P391-L393 VanDerWaalsContact C-N 3.29Å; P391-L393 PolarHBondContact O-N 3.19Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 2.91Å; L393-R396 PolarHBondContact O-N 2.79Å; L393-L397 WeakPolarHBondContact O-CB 3.2Å; L393-L397 PolarHBondContact O-N 3Å
394	A	92.7	Very high	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-39.1	172.3	0	0	0	0	0	111.4	C388 D390 P391 W398	C388-A394 HydrophobicContact CB-CB 4.09Å; D390-A394 PolarHBondContact O-N 2.85Å; P391-A394 PolarHBondContact O-N 2.98Å; A394-W398 PolarHBondContact O-N 3.2Å
395	K	93.2	Very high	92.2	Very high	90 Å²	90	40.9 Å²	40.9	39%	0.391	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-43.3	171.8	-174.2	-177.7	176	-173	0	112.7	Y334 P391 L393 L397 W398 D399	Y334-K395 HydrophobicContact CD2-CB 4.14Å; Y334-K395 HydrophobicContact CE1-CG 4.3Å; Y334-K395 HydrophobicContact CE2-CB 3.82Å; Y334-K395 HydrophobicContact CE2-CD 4.47Å; Y334-K395 HydrophobicContact CE2-CG 4.04Å; P391-K395 WeakPolarHBondContact O-CB 3Å; P391-K395 PolarHBondContact O-N 2.94Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 2.91Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 3.45Å; K395-W398 PolarHBondContact O-N 3.46Å; K395-D399 WeakPolarHBondContact O-CB 3.46Å; K395-D399 PolarHBondContact O-N 2.71Å
396	R	92.4	Very high	92	Very high	38 Å²	38	42.4 Å²	42.4	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-42.1	175.8	-176.9	-172.8	178.1	-68.4	-12.9	111.6	D151 E291 H293 R392 L393 S400	D151-R396 PolarHBondContact O-NE 3.14Å; D151-R396 PolarHBondContact O-NH2 3.36Å; E291-R396 IonicContact OE1-CZ 3.16Å; E291-R396 IonicContact OE1-NH1 3.89Å; E291-R396 PolarHBondContact OE1-NH1 2.99Å; E291-R396 IonicContact OE1-NH2 2.71Å; E291-R396 PolarHBondContact OE1-NH2 2.99Å; H293-R396 PolarHBondContact CE1-NH1 3.18Å; H293-R396 PolarHBondContact ND1-NH1 2.87Å; R392-R396 WeakPolarHBondContact O-CB 3.4Å; R392-R396 PolarHBondContact O-N 2.72Å; L393-R396 PolarHBondContact O-N 2.79Å; R396-S400 PolarHBondContact O-N 3.39Å
397	L	93.6	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-46.4	173.7	176.3	53.4	0	0	0	112	H293 L305 V307 F339 L393 K395 S400 C401	H293-L397 HydrophobicContact CB-CB 4.4Å; H293-L397 HydrophobicContact CB-CD1 3.95Å; H293-L397 HydrophobicContact CB-CD2 4.17Å; H293-L397 HydrophobicContact CB-CG 4.39Å; H293-L397 WeakPolarHBondContact CE1-CA 3.24Å; H293-L397 WeakPolarHBondContact ND1-CA 3.19Å; H293-L397 WeakPolarHBondContact ND1-CB 3.45Å; L305-L397 HydrophobicContact CD1-CD2 3.71Å; V307-L397 HydrophobicContact CG2-CD1 3.73Å; F339-L397 HydrophobicContact CB-CD2 4Å; F339-L397 HydrophobicContact CD1-CD2 3.36Å; F339-L397 HydrophobicContact CD1-CG 3.92Å; F339-L397 HydrophobicContact CD2-CB 4.43Å; F339-L397 HydrophobicContact CD2-CD2 3.99Å; F339-L397 HydrophobicContact CD2-CG 3.88Å; F339-L397 HydrophobicContact CE1-CD1 4.27Å; F339-L397 HydrophobicContact CE1-CD2 3.7Å; F339-L397 HydrophobicContact CE1-CG 3.81Å; F339-L397 HydrophobicContact CE2-CD2 4.29Å; F339-L397 HydrophobicContact CE2-CG 3.78Å; F339-L397 HydrophobicContact CG-CD2 3.52Å; F339-L397 HydrophobicContact CG-CG 3.94Å; F339-L397 HydrophobicContact CZ-CD1 4.23Å; F339-L397 HydrophobicContact CZ-CD2 4.15Å; F339-L397 HydrophobicContact CZ-CG 3.74Å; L393-L397 WeakPolarHBondContact O-CB 3.2Å; L393-L397 PolarHBondContact O-N 3Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 3.45Å; L397-S400 PolarHBondContact O-N 3.19Å; L397-C401 PolarHBondContact O-N 3.23Å; L397-C401 PolarHBondContact O-SG 2.81Å
398	W	95	Very high	91.6	Very high	75 Å²	75	40.5 Å²	40.5	28%	0.284	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-41.8	175.5	-178	90.5	0	0	0	113.4	I332 Y334 F339 A394 K395 S400 T402	I332-W398 PolarHBondContact O-NE1 2.82Å; I332-W398 VanDerWaalsContact O-NE1 3.14Å; Y334-W398 HydrophobicContact CD1-CB 3.69Å; Y334-W398 AromaticContact CD1-CD1 3.89Å; Y334-W398 AromaticContact CD1-CD2 3.65Å; Y334-W398 HydrophobicContact CD1-CD2 3.65Å; Y334-W398 HydrophobicContact CD1-CE3 4.11Å; Y334-W398 AromaticContact CD1-CG 3.45Å; Y334-W398 HydrophobicContact CD1-CG 3.45Å; Y334-W398 VanDerWaalsContact CD1-CG 3.45Å; Y334-W398 HydrophobicContact CE1-CB 4.47Å; Y334-W398 AromaticContact CE1-CD2 3.84Å; Y334-W398 HydrophobicContact CE1-CD2 3.84Å; Y334-W398 AromaticContact CE1-CE3 3.85Å; Y334-W398 HydrophobicContact CE1-CE3 3.85Å; Y334-W398 HydrophobicContact CE1-CG 4.13Å; Y334-W398 HydrophobicContact CE1-CZ3 4.41Å; Y334-W398 HydrophobicContact CG-CB 4.18Å; Y334-W398 HydrophobicContact CG-CG 4.34Å; F339-W398 HydrophobicContact CD2-CB 4.29Å; F339-W398 HydrophobicContact CE2-CB 4.03Å; A394-W398 PolarHBondContact O-N 3.2Å; K395-W398 PolarHBondContact O-N 3.46Å; W398-S400 VanDerWaalsContact C-N 3.31Å; W398-S400 PolarHBondContact O-N 3.37Å; W398-T402 HydrophobicContact CD2-CG2 4.05Å; W398-T402 HydrophobicContact CG-CG2 4.47Å; W398-T402 HydrophobicContact CH2-CG2 4.4Å; W398-T402 HydrophobicContact CZ2-CG2 3.89Å; W398-T402 WeakPolarHBondContact O-CB 3.28Å; W398-T402 WeakPolarHBondContact O-CG2 3.21Å; W398-T402 PolarHBondContact O-N 2.9Å; W398-T402 PolarHBondContact O-OG1 3.24Å
399	D	93.1	Very high	90.9	Very high	43 Å²	43	45 Å²	45	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-38.8	173.8	-83.8	-44	0	0	0	111.2	K155 K395 T402 S403	K155-D399 IonicContact NZ-OD1 2.93Å; K155-D399 PolarHBondContact NZ-OD1 2.74Å; K155-D399 IonicContact NZ-OD2 3.32Å; K155-D399 PolarHBondContact NZ-OD2 3.03Å; K395-D399 WeakPolarHBondContact O-CB 3.46Å; K395-D399 PolarHBondContact O-N 2.71Å; D399-T402 PolarHBondContact O-OG1 2.88Å; D399-S403 WeakPolarHBondContact O-CB 3.12Å; D399-S403 PolarHBondContact O-N 3.07Å; D399-S403 VanDerWaalsContact O-N 3.16Å
400	S	91.9	Very high	89.7	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-70.4	-53.5	175	-173.9	0	0	0	0	111.8	E291 R396 L397 W398 T402 S403 Q404	E291-S400 WeakPolarHBondContact OE2-CB 3.12Å; E291-S400 PolarHBondContact OE2-OG 3.23Å; R396-S400 PolarHBondContact O-N 3.39Å; L397-S400 PolarHBondContact O-N 3.19Å; W398-S400 VanDerWaalsContact C-N 3.31Å; W398-S400 PolarHBondContact O-N 3.37Å; S400-T402 VanDerWaalsContact C-N 3.32Å; S400-T402 PolarHBondContact O-N 3.3Å; S400-S403 WeakPolarHBondContact O-CA 3.31Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3.35Å; S400-Q404 WeakPolarHBondContact O-CG 3.22Å; S400-Q404 PolarHBondContact O-N 3.33Å
401	C	94	Very high	88.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-42.6	-179.3	-64	0	0	0	0	112.9	V307 I312 W326 I332 F339 L397 H405	V307-C401 HydrophobicContact CG1-CB 4.44Å; V307-C401 VanDerWaalsContact CG2-SG 3.55Å; I312-C401 HydrophobicContact CD1-CB 4.22Å; I312-C401 VanDerWaalsContact CD1-SG 3.57Å; W326-C401 HydrophobicContact CH2-CB 4.26Å; I332-C401 HydrophobicContact CD1-CB 3.83Å; I332-C401 HydrophobicContact CG2-CB 4.37Å; F339-C401 HydrophobicContact CZ-CB 4.44Å; L397-C401 PolarHBondContact O-N 3.23Å; L397-C401 PolarHBondContact O-SG 2.81Å; C401-H405 VanDerWaalsContact O-CB 3.29Å; C401-H405 WeakPolarHBondContact O-CB 3.31Å; C401-H405 PolarHBondContact O-N 3.45Å
402	T	92.2	Very high	85.8	Confident	42 Å²	42	52.9 Å²	52.9	26%	0.258	25%	0.245	S	C	.	.	H	α-helix	trans	-68.3	-35.5	176.6	52.4	0	0	0	0	112.1	W398 D399 S400 T406	W398-T402 HydrophobicContact CD2-CG2 4.05Å; W398-T402 HydrophobicContact CG-CG2 4.47Å; W398-T402 HydrophobicContact CH2-CG2 4.4Å; W398-T402 HydrophobicContact CZ2-CG2 3.89Å; W398-T402 WeakPolarHBondContact O-CB 3.28Å; W398-T402 WeakPolarHBondContact O-CG2 3.21Å; W398-T402 PolarHBondContact O-N 2.9Å; W398-T402 PolarHBondContact O-OG1 3.24Å; D399-T402 PolarHBondContact O-OG1 2.88Å; S400-T402 VanDerWaalsContact C-N 3.32Å; S400-T402 PolarHBondContact O-N 3.3Å; T402-T406 VanDerWaalsContact O-CB 3.25Å; T402-T406 WeakPolarHBondContact O-CB 3.49Å; T402-T406 PolarHBondContact O-N 2.83Å; T402-T406 PolarHBondContact O-OG1 3.48Å
403	S	91.7	Very high	83.1	Confident	18 Å²	18	52.6 Å²	52.6	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-50.5	173	-175.9	0	0	0	0	112	R176 F177 D399 S400 T406 F407	R176-S403 PolarHBondContact NE-OG 3.11Å; R176-S403 PolarHBondContact NH2-OG 3.07Å; F177-S403 WeakPolarHBondContact CE1-OG 3.45Å; F177-S403 VanDerWaalsContact CZ-OG 3.28Å; F177-S403 WeakPolarHBondContact CZ-OG 3.37Å; D399-S403 WeakPolarHBondContact O-CB 3.12Å; D399-S403 PolarHBondContact O-N 3.07Å; D399-S403 VanDerWaalsContact O-N 3.16Å; S400-S403 WeakPolarHBondContact O-CA 3.31Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3.35Å; S403-T406 PolarHBondContact O-N 3.27Å; S403-F407 WeakPolarHBondContact O-CB 3.28Å; S403-F407 PolarHBondContact O-N 3.16Å
404	Q	91.8	Very high	80.1	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-48.4	-178	-64.2	-67.1	-6.4	0	0	111.2	R176 F177 V307 W326 S400 T406 F407 F408	R176-Q404 PolarHBondContact O-NE2 2.85Å; F177-Q404 VanDerWaalsContact CD1-OE1 3.27Å; V307-Q404 HydrophobicContact CG1-CB 4.12Å; V307-Q404 HydrophobicContact CG1-CG 3.79Å; W326-Q404 HydrophobicContact CH2-CB 4.23Å; W326-Q404 HydrophobicContact CZ2-CB 3.61Å; S400-Q404 WeakPolarHBondContact O-CG 3.22Å; S400-Q404 PolarHBondContact O-N 3.33Å; Q404-T406 VanDerWaalsContact C-N 3.32Å; Q404-T406 PolarHBondContact O-N 3.29Å; Q404-F407 PolarHBondContact O-N 3.22Å; Q404-F408 PolarHBondContact O-N 3.44Å
405	H	90.3	Very high	77.3	Confident	40 Å²	40	59.1 Å²	59.1	19%	0.185	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-39	175.2	179.3	-82.2	0	0	0	112.8	W326 C401 R409	W326-H405 HydrophobicContact CD2-CB 3.94Å; W326-H405 AromaticContact CD2-CD2 3.8Å; W326-H405 HydrophobicContact CE3-CB 3.81Å; W326-H405 AromaticContact CE3-CD2 3.63Å; W326-H405 AromaticContact CG-CD2 3.92Å; W326-H405 HydrophobicContact CH2-CB 4.28Å; W326-H405 HydrophobicContact CZ2-CB 4.39Å; W326-H405 HydrophobicContact CZ3-CB 3.99Å; C401-H405 VanDerWaalsContact O-CB 3.29Å; C401-H405 WeakPolarHBondContact O-CB 3.31Å; C401-H405 PolarHBondContact O-N 3.45Å; H405-R409 PolarHBondContact NE2-NH1 3.3Å; H405-R409 VanDerWaalsContact O-CB 3.3Å; H405-R409 WeakPolarHBondContact O-CB 3.37Å; H405-R409 PolarHBondContact O-N 2.85Å
406	T	88.7	Confident	74.4	Confident	68 Å²	68	59.6 Å²	59.6	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-44	177.3	-59.6	0	0	0	0	111.1	T402 S403 Q404 L410	T402-T406 VanDerWaalsContact O-CB 3.25Å; T402-T406 WeakPolarHBondContact O-CB 3.49Å; T402-T406 PolarHBondContact O-N 2.83Å; T402-T406 PolarHBondContact O-OG1 3.48Å; S403-T406 PolarHBondContact O-N 3.27Å; Q404-T406 VanDerWaalsContact C-N 3.32Å; Q404-T406 PolarHBondContact O-N 3.29Å; T406-L410 HydrophobicContact CG2-CB 4.37Å; T406-L410 HydrophobicContact CG2-CD1 4.26Å; T406-L410 WeakPolarHBondContact O-CB 3.42Å; T406-L410 PolarHBondContact O-N 3.38Å; T406-L410 VanDerWaalsContact O-N 3.09Å
407	F	89.3	Confident	71.5	Confident	25 Å²	25	66.9 Å²	66.9	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-49.8	-178	-171.1	-84.5	0	0	0	112.6	E138 Y139 F177 S403 Q404 R411	E138-F407 HydrophobicContact CB-CE2 4.04Å; E138-F407 HydrophobicContact CG-CE2 4.27Å; E138-F407 HydrophobicContact CG-CZ 4.38Å; E138-F407 WeakPolarHBondContact O-CE2 3.5Å; Y139-F407 HydrophobicContact CD1-CE1 4.08Å; Y139-F407 AromaticContact CD1-CZ 3.55Å; Y139-F407 HydrophobicContact CD1-CZ 3.55Å; Y139-F407 AromaticContact CE1-CE1 3.87Å; Y139-F407 HydrophobicContact CE1-CE1 3.87Å; Y139-F407 AromaticContact CE1-CZ 3.52Å; Y139-F407 HydrophobicContact CE1-CZ 3.52Å; Y139-F407 HydrophobicContact CG-CZ 4.39Å; F177-F407 HydrophobicContact CB-CD1 3.82Å; F177-F407 HydrophobicContact CB-CD2 4.27Å; F177-F407 HydrophobicContact CB-CE1 3.65Å; F177-F407 HydrophobicContact CB-CE2 4.09Å; F177-F407 HydrophobicContact CB-CG 4.14Å; F177-F407 HydrophobicContact CB-CZ 3.8Å; F177-F407 HydrophobicContact CD1-CB 3.5Å; F177-F407 VanDerWaalsContact CD1-CB 3.5Å; F177-F407 AromaticContact CD1-CD1 3.76Å; F177-F407 HydrophobicContact CD1-CD1 3.76Å; F177-F407 AromaticContact CD1-CD2 3.72Å; F177-F407 HydrophobicContact CD1-CD2 3.72Å; F177-F407 HydrophobicContact CD1-CE1 4.43Å; F177-F407 HydrophobicContact CD1-CE2 4.37Å; F177-F407 AromaticContact CD1-CG 3.37Å; F177-F407 HydrophobicContact CD1-CG 3.37Å; F177-F407 HydrophobicContact CD2-CD1 4.48Å; F177-F407 AromaticContact CD2-CD2 3.43Å; F177-F407 HydrophobicContact CD2-CD2 3.43Å; F177-F407 VanDerWaalsContact CD2-CD2 3.43Å; F177-F407 AromaticContact CD2-CE2 3.47Å; F177-F407 HydrophobicContact CD2-CE2 3.47Å; F177-F407 VanDerWaalsContact CD2-CE2 3.47Å; F177-F407 AromaticContact CD2-CG 3.98Å; F177-F407 HydrophobicContact CD2-CG 3.98Å; F177-F407 HydrophobicContact CD2-CZ 4.06Å; F177-F407 HydrophobicContact CE1-CB 3.33Å; F177-F407 HydrophobicContact CE1-CD1 4.44Å; F177-F407 AromaticContact CE1-CD2 3.8Å; F177-F407 HydrophobicContact CE1-CD2 3.8Å; F177-F407 AromaticContact CE1-CG 3.62Å; F177-F407 HydrophobicContact CE1-CG 3.62Å; F177-F407 AromaticContact CE2-CD2 3.48Å; F177-F407 HydrophobicContact CE2-CD2 3.48Å; F177-F407 VanDerWaalsContact CE2-CD2 3.48Å; F177-F407 AromaticContact CE2-CE2 3.87Å; F177-F407 HydrophobicContact CE2-CE2 3.87Å; F177-F407 HydrophobicContact CE2-CG 4.16Å; F177-F407 HydrophobicContact CG-CB 4.21Å; F177-F407 AromaticContact CG-CD1 3.78Å; F177-F407 HydrophobicContact CG-CD1 3.78Å; F177-F407 AromaticContact CG-CD2 3.54Å; F177-F407 HydrophobicContact CG-CD2 3.54Å; F177-F407 AromaticContact CG-CE1 3.98Å; F177-F407 HydrophobicContact CG-CE1 3.98Å; F177-F407 AromaticContact CG-CE2 3.73Å; F177-F407 HydrophobicContact CG-CE2 3.73Å; F177-F407 AromaticContact CG-CG 3.56Å; F177-F407 HydrophobicContact CG-CG 3.56Å; F177-F407 AromaticContact CG-CZ 3.96Å; F177-F407 HydrophobicContact CG-CZ 3.96Å; F177-F407 HydrophobicContact CZ-CB 3.89Å; F177-F407 AromaticContact CZ-CD2 3.65Å; F177-F407 HydrophobicContact CZ-CD2 3.65Å; F177-F407 HydrophobicContact CZ-CE2 4.48Å; F177-F407 AromaticContact CZ-CG 3.98Å; F177-F407 HydrophobicContact CZ-CG 3.98Å; S403-F407 WeakPolarHBondContact O-CB 3.28Å; S403-F407 PolarHBondContact O-N 3.16Å; Q404-F407 PolarHBondContact O-N 3.22Å; F407-R411 WeakPolarHBondContact O-CD 3.46Å
408	F	86.9	Confident	68.6	Low	45 Å²	45	77.3 Å²	77.3	20%	0.197	40%	0.399	C	S	.	.	H	α-helix	trans	-90.1	3.8	-171.9	-73.7	-68.5	0	0	0	115.2	F177 Y178 H309 Q404	F177-F408 HydrophobicContact CB-CE2 4.04Å; F177-F408 HydrophobicContact CB-CZ 3.99Å; F177-F408 HydrophobicContact CD1-CE2 4.08Å; Y178-F408 WeakPolarHBondContact O-CZ 3.32Å; H309-F408 HydrophobicContact CB-CD1 4.06Å; H309-F408 HydrophobicContact CB-CD2 3.83Å; H309-F408 HydrophobicContact CB-CE1 3.86Å; H309-F408 HydrophobicContact CB-CE2 3.6Å; H309-F408 HydrophobicContact CB-CG 4.05Å; H309-F408 HydrophobicContact CB-CZ 3.62Å; Q404-F408 PolarHBondContact O-N 3.44Å
409	R	77.7	Confident	65.5	Low	98 Å²	98	78.2 Å²	78.2	37%	0.37	42%	0.417	S	S	.	.	H	α-helix	trans	-145.8	-21.9	-178.6	-158.5	-174.2	178.3	-172.7	5.2	116	W326 H405	W326-R409 PolarHBondContact O-NH1 3.1Å; H405-R409 PolarHBondContact NE2-NH1 3.3Å; H405-R409 VanDerWaalsContact O-CB 3.3Å; H405-R409 WeakPolarHBondContact O-CB 3.37Å; H405-R409 PolarHBondContact O-N 2.85Å
410	L	66.5	Low	62.5	Low	117 Å²	117	82.8 Å²	82.8	61%	0.613	44%	0.442	S	S	*	.	S	Bend	trans	-102.6	6.7	178.8	-56.2	-178.9	0	0	0	112.8	T406	T406-L410 HydrophobicContact CG2-CB 4.37Å; T406-L410 HydrophobicContact CG2-CD1 4.26Å; T406-L410 WeakPolarHBondContact O-CB 3.42Å; T406-L410 PolarHBondContact O-N 3.38Å; T406-L410 VanDerWaalsContact O-N 3.09Å
411	R	57.3	Low	59.9	Low	111 Å²	111	89.9 Å²	89.9	42%	0.419	48%	0.479	S	S	.	.	S	Bend	trans	-95.2	-22.8	170.5	-78.1	-177.2	142.3	-149.7	-12.9	113.2	E138 F407 T413	E138-R411 IonicContact OE1-CZ 2.8Å; E138-R411 IonicContact OE1-NH1 4Å; E138-R411 PolarHBondContact OE1-NH1 2.9Å; E138-R411 IonicContact OE1-NH2 3.18Å; E138-R411 PolarHBondContact OE1-NH2 2.9Å; F407-R411 WeakPolarHBondContact O-CD 3.46Å; R411-T413 PolarHBondContact O-N 2.82Å
412	D	41.4	Very low	57.3	Low	121 Å²	121	95.5 Å²	95.5	65%	0.647	51%	0.513	S	S	*	.	S	Bend	trans	-65.5	119	176.4	-58.7	-53.8	0	0	0	110
413	T	34.3	Very low	54.4	Low	128 Å²	128	99.6 Å²	99.6	79%	0.785	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-75.9	129.6	-172.6	-55.2	0	0	0	0	109.6	R411 G415	R411-T413 PolarHBondContact O-N 2.82Å; T413-G415 PolarHBondContact O-N 3.2Å
414	P	29.2	Very low	51.6	Low	115 Å²	115	102.3 Å²	102.3	75%	0.747	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-63.7	130.3	179.5	26.2	-34.2	0	0	0	110.5
415	G	33.7	Very low	48.9	Very low	54 Å²	54	111.6 Å²	111.6	56%	0.557	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-57.4	151	173	0	0	0	0	0	112	T413 Q417	T413-G415 PolarHBondContact O-N 3.2Å; G415-Q417 PolarHBondContact O-N 3.22Å
416	P	31.6	Very low	46.1	Very low	101 Å²	101	115.3 Å²	115.3	66%	0.656	63%	0.633	S	S	*	*			trans	-61.8	105.7	-172.5	25.4	-35.8	0	0	0	111.9	R418 P1110	P416-R418 PolarHBondContact O-N 3.23Å; P416-P1110 HydrophobicContact CG-CG 3.81Å
417	Q	32.3	Very low	43.3	Very low	190 Å²	190	117.4 Å²	117.4	89%	0.888	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-67.9	126.1	169.1	-72.9	-151.7	-41.7	0	0	110.2	G415	G415-Q417 PolarHBondContact O-N 3.22Å
418	R	31	Very low	40.7	Very low	219 Å²	219	126.9 Å²	126.9	83%	0.826	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-63.6	145.8	170.2	-66	-177.1	176.7	-172.6	-0.9	109.9	P416	P416-R418 PolarHBondContact O-N 3.23Å
419	S	30.2	Very low	38.1	Very low	94 Å²	94	131.9 Å²	131.9	66%	0.657	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-86.7	154.2	-172.1	54.1	0	0	0	0	114
420	N	31.1	Very low	36.1	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	72%	0.722	S	S	*	*			trans	67.1	110.8	151.5	-60.1	-15.3	0	0	0	116.2
421	L	37.4	Very low	34.5	Very low	155 Å²	155	138.5 Å²	138.5	81%	0.812	73%	0.727	S	S	*	*				-176.3	161.1	66.1	-98.2	138.1	0	0	0	114.4
422	T	37.8	Very low	33.3	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	74%	0.743	S	S	*	*			trans	60.3	111.5	152	46.9	0	0	0	0	123.3
423	T	32.9	Very low	32.9	Very low	129 Å²	129	142 Å²	142	79%	0.791	75%	0.751	S	S	*	*				87.5	106.4	127	-51.6	0	0	0	0	121.3
424	A	32.6	Very low	32.6	Very low	75 Å²	75	140.7 Å²	140.7	62%	0.62	75%	0.747	S	S	*	*			trans	28.8	133.9	144.8	0	0	0	0	0	120.6
425	F	33.8	Very low	32.7	Very low	201 Å²	201	144.3 Å²	144.3	88%	0.882	75%	0.751	S	S	*	*				-157.5	169.5	54.2	-97	-88.9	0	0	0	114.2
426	S	33.2	Very low	32.7	Very low	118 Å²	118	146.2 Å²	146.2	83%	0.825	76%	0.756	S	S	*	*			trans	66	90.4	163.2	-156.2	0	0	0	0	118.5
427	T	29.3	Very low	32.8	Very low	112 Å²	112	146.7 Å²	146.7	69%	0.687	75%	0.748	S	S	*	*			trans	-96.3	123.7	177.3	63.3	0	0	0	0	113.6
428	R	33.9	Very low	32.7	Very low	225 Å²	225	144.4 Å²	144.4	85%	0.849	74%	0.742	S	S	*	*			trans	-99	101.7	157.1	-71.7	-169.2	-166.5	-170.7	7.1	110.3	Y430	R428-Y430 PolarHBondContact O-N 3.44Å
429	K	33.2	Very low	32.9	Very low	150 Å²	150	136.9 Å²	136.9	65%	0.652	73%	0.726	S	S	*	*			trans	-83.3	109.6	-179	-62.8	177.6	-178.2	176.2	0	111.1	H431	K429-H431 PolarHBondContact O-N 3.18Å; K429-H431 VanDerWaalsContact O-N 3.13Å
430	Y	35.7	Very low	33.3	Very low	200 Å²	200	137.3 Å²	137.3	78%	0.784	71%	0.714	S	S	*	*			trans	-79.5	88.2	167.4	-74	-89.6	0	0	0	110.2	R428 F432	R428-Y430 PolarHBondContact O-N 3.44Å; Y430-F432 PolarHBondContact O-N 3.49Å; Y430-F432 VanDerWaalsContact O-N 3.15Å
431	H	32.2	Very low	33.2	Very low	153 Å²	153	135.8 Å²	135.8	71%	0.708	71%	0.714	S	S	*	*			trans	-74.8	99.6	173.4	-74.6	-76.9	0	0	0	111.1	K429	K429-H431 PolarHBondContact O-N 3.18Å; K429-H431 VanDerWaalsContact O-N 3.13Å
432	F	31.4	Very low	33	Very low	172 Å²	172	138.4 Å²	138.4	75%	0.754	71%	0.713	S	S	*	*			trans	-69	128.1	154.6	-98.9	-91.6	0	0	0	108.9	Y430 S434	Y430-F432 PolarHBondContact O-N 3.49Å; Y430-F432 VanDerWaalsContact O-N 3.15Å; F432-S434 PolarHBondContact O-N 3.28Å
433	T	32.9	Very low	32.5	Very low	134 Å²	134	140.8 Å²	140.8	82%	0.822	72%	0.716	S	S	*	*			trans	-84.1	67.4	175	54.3	0	0	0	0	110.4	K435	T433-K435 PolarHBondContact O-N 2.93Å; T433-K435 VanDerWaalsContact O-N 3.1Å
434	S	30	Very low	32.4	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	72%	0.718	S	S	*	*			trans	-67.3	103.8	171.3	47.9	0	0	0	0	110	F432	F432-S434 PolarHBondContact O-N 3.28Å
435	K	31	Very low	32.2	Very low	191 Å²	191	140.7 Å²	140.7	83%	0.83	71%	0.714	S	S	*	*			trans	-124.4	133	159.8	-72.8	-169.1	174.9	-174.5	0	107.6	T433	T433-K435 PolarHBondContact O-N 2.93Å; T433-K435 VanDerWaalsContact O-N 3.1Å
436	S	33.6	Very low	32.3	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	71%	0.706	S	S	*	*	S	Bend	trans	53.4	88.6	-170.6	61.9	0	0	0	0	114.8
437	F	32.2	Very low	32.4	Very low	110 Å²	110	139.3 Å²	139.3	48%	0.482	71%	0.705	S	S	.	*			trans	-162.5	26.4	138.9	-128.3	-120.4	0	0	0	115	A439 Y440	F437-A439 PolarHBondContact O-N 2.82Å; F437-Y440 AromaticContact CD1-CD2 3.71Å; F437-Y440 HydrophobicContact CD1-CD2 3.71Å; F437-Y440 AromaticContact CD1-CE2 3.91Å; F437-Y440 HydrophobicContact CD1-CE2 3.91Å; F437-Y440 AromaticContact CE1-CD2 3.43Å; F437-Y440 HydrophobicContact CE1-CD2 3.43Å; F437-Y440 VanDerWaalsContact CE1-CD2 3.43Å; F437-Y440 AromaticContact CE1-CE2 3.2Å; F437-Y440 HydrophobicContact CE1-CE2 3.2Å; F437-Y440 HydrophobicContact CE1-CG 4.47Å; F437-Y440 HydrophobicContact CE2-CE2 4.33Å; F437-Y440 HydrophobicContact CZ-CD2 4.14Å; F437-Y440 AromaticContact CZ-CE2 3.46Å; F437-Y440 HydrophobicContact CZ-CE2 3.46Å; F437-Y440 VanDerWaalsContact CZ-CE2 3.46Å
438	D	30.6	Very low	33.1	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	29.3	-173.5	-46.8	-80.4	0	0	0	115.2
439	A	36.4	Very low	34.1	Very low	61 Å²	61	134.3 Å²	134.3	50%	0.504	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.6	-16.2	-168.2	0	0	0	0	0	115.3	F437	F437-A439 PolarHBondContact O-N 2.82Å
440	Y	38.7	Very low	35.1	Very low	103 Å²	103	133 Å²	133	40%	0.404	69%	0.689	S	S	.	*	S	Bend	trans	-91	-7.5	175.7	-68	-97.3	0	0	0	112.7	F437 R442	F437-Y440 AromaticContact CD1-CD2 3.71Å; F437-Y440 HydrophobicContact CD1-CD2 3.71Å; F437-Y440 AromaticContact CD1-CE2 3.91Å; F437-Y440 HydrophobicContact CD1-CE2 3.91Å; F437-Y440 AromaticContact CE1-CD2 3.43Å; F437-Y440 HydrophobicContact CE1-CD2 3.43Å; F437-Y440 VanDerWaalsContact CE1-CD2 3.43Å; F437-Y440 AromaticContact CE1-CE2 3.2Å; F437-Y440 HydrophobicContact CE1-CE2 3.2Å; F437-Y440 HydrophobicContact CE1-CG 4.47Å; F437-Y440 HydrophobicContact CE2-CE2 4.33Å; F437-Y440 HydrophobicContact CZ-CD2 4.14Å; F437-Y440 AromaticContact CZ-CE2 3.46Å; F437-Y440 HydrophobicContact CZ-CE2 3.46Å; F437-Y440 VanDerWaalsContact CZ-CE2 3.46Å; Y440-R442 PolarHBondContact O-N 2.94Å
441	S	28.7	Very low	36.6	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	66%	0.664	S	S	*	*			trans	-80.4	58.7	168.3	-53	0	0	0	0	110.8	E443	S441-E443 PolarHBondContact O-N 3.39Å
442	R	33.5	Very low	37.9	Very low	210 Å²	210	128 Å²	128	79%	0.792	67%	0.67	S	S	*	*			trans	-75.3	105.6	159.2	-168	179.7	-170.7	171.6	4.1	105.7	Y440	Y440-R442 PolarHBondContact O-N 2.94Å
443	E	27.5	Very low	39.6	Very low	167 Å²	167	123.6 Å²	123.6	78%	0.78	65%	0.652	S	S	*	*			trans	-52.5	144.8	165.4	-71.9	-174.3	171.6	0	0	108.7	S441 S445	S441-E443 PolarHBondContact O-N 3.39Å; E443-S445 PolarHBondContact O-N 2.87Å
444	P	29.3	Very low	41.1	Very low	126 Å²	126	118 Å²	118	82%	0.818	62%	0.618	S	S	*	*			trans	-69	79.2	176.8	29.2	-34.3	0	0	0	110	T446	P444-T446 PolarHBondContact O-N 2.81Å
445	S	29.5	Very low	42.7	Very low	76 Å²	76	119 Å²	119	53%	0.531	62%	0.622	S	S	.	*			trans	-66.8	117.6	176.3	57.9	0	0	0	0	109.4	E443	E443-S445 PolarHBondContact O-N 2.87Å
446	T	34.9	Very low	44.7	Very low	119 Å²	119	111.9 Å²	111.9	73%	0.73	59%	0.593	S	S	*	*	S	Bend	trans	70.4	152.5	-175.7	1.5	0	0	0	0	115.2	P444	P444-T446 PolarHBondContact O-N 2.81Å
447	E	35.4	Very low	46.4	Very low	171 Å²	171	116.1 Å²	116.1	80%	0.799	60%	0.599	S	S	*	*			trans	-55.6	151.5	173.4	-63.6	158.3	113.4	0	0	111.2	I449	E447-I449 VanDerWaalsContact C-N 3.32Å; E447-I449 PolarHBondContact O-N 3.24Å
448	W	45.3	Very low	48.1	Very low	102 Å²	102	113.1 Å²	113.1	39%	0.386	59%	0.585	S	S	.	*			trans	-75.8	86.9	178.4	-152.6	84.7	0	0	0	109.5	K186 P450	K186-W448 HydrophobicContact CB-CE3 4.4Å; K186-W448 HydrophobicContact CB-CH2 3.41Å; K186-W448 VanDerWaalsContact CB-CH2 3.41Å; K186-W448 HydrophobicContact CB-CZ2 3.58Å; K186-W448 HydrophobicContact CB-CZ3 3.85Å; K186-W448 HydrophobicContact CD-CD2 3.49Å; K186-W448 VanDerWaalsContact CD-CD2 3.49Å; K186-W448 VanDerWaalsContact CD-CE2 3.42Å; K186-W448 HydrophobicContact CD-CE3 3.89Å; K186-W448 HydrophobicContact CD-CG 3.92Å; K186-W448 HydrophobicContact CD-CH2 4.15Å; K186-W448 HydrophobicContact CD-CZ2 3.78Å; K186-W448 HydrophobicContact CD-CZ3 4.2Å; K186-W448 HydrophobicContact CG-CH2 4.44Å; K186-W448 HydrophobicContact CG-CZ2 4.35Å; W448-P450 VanDerWaalsContact O-CD 3.29Å; W448-P450 WeakPolarHBondContact O-CD 3.46Å
449	I	53.8	Low	49.3	Very low	131 Å²	131	108.4 Å²	108.4	67%	0.672	56%	0.561	S	S	*	*			trans	-53.9	117.9	-175.5	-55.7	177.8	0	0	0	109.4	E447 R451	E447-I449 VanDerWaalsContact C-N 3.32Å; E447-I449 PolarHBondContact O-N 3.24Å; I449-R451 PolarHBondContact O-N 3.34Å
450	P	55.2	Low	49.8	Very low	122 Å²	122	110.1 Å²	110.1	79%	0.792	56%	0.559	S	S	*	*			trans	-63.4	104.2	179.7	-23.8	35.2	0	0	0	111.2	W448	W448-P450 VanDerWaalsContact O-CD 3.29Å; W448-P450 WeakPolarHBondContact O-CD 3.46Å
451	R	66.7	Low	49.8	Very low	68 Å²	68	107.6 Å²	107.6	26%	0.257	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-84.4	155.3	172	70.6	175.2	-58	174	14.1	110.7	D133 I449 Q453	D133-R451 PolarHBondContact O-NH1 3.32Å; D133-R451 IonicContact OD1-CZ 3.29Å; D133-R451 IonicContact OD1-NH1 2.75Å; D133-R451 PolarHBondContact OD1-NH1 2.79Å; D133-R451 IonicContact OD1-NH2 2.72Å; D133-R451 PolarHBondContact OD1-NH2 2.96Å; D133-R451 VanDerWaalsContact OD1-NH2 3.08Å; D133-R451 IonicContact OD2-CZ 3.8Å; D133-R451 IonicContact OD2-NH1 3.88Å; D133-R451 IonicContact OD2-NH2 3.33Å; D133-R451 PolarHBondContact OD2-NH2 3.29Å; I449-R451 PolarHBondContact O-N 3.34Å; R451-Q453 PolarHBondContact O-N 3.28Å
452	Q	59.8	Low	50	Low	181 Å²	181	110 Å²	110	85%	0.846	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-64.9	133	155.4	-71.5	-178.3	-14.1	0	0	108.5
453	Q	67	Low	49.7	Very low	78 Å²	78	109.5 Å²	109.5	36%	0.364	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-57.4	136	176.9	-62.5	-71.4	-12.9	0	0	109.3	K186 D187 R451	K186-Q453 PolarHBondContact O-NE2 3.11Å; D187-Q453 PolarHBondContact OD1-OE1 2.86Å; D187-Q453 VanDerWaalsContact OD1-OE1 3.13Å; R451-Q453 PolarHBondContact O-N 3.28Å
454	P	64.2	Low	49.6	Very low	16 Å²	16	109.4 Å²	109.4	10%	0.104	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-65.2	141.7	179.8	27.3	-33.5	0	0	0	110.8	D133 L189 I456	D133-P454 HydrophobicContact CB-CB 4.44Å; L189-P454 HydrophobicContact CB-CG 4.19Å; L189-P454 HydrophobicContact CD2-CG 4.12Å; P454-I456 PolarHBondContact O-N 2.61Å
455	P	63.9	Low	49.4	Very low	122 Å²	122	106.9 Å²	106.9	79%	0.792	53%	0.532	S	S	*	.			trans	-68.4	99.3	-179.4	27	-34	0	0	0	110.9	K457	P455-K457 PolarHBondContact O-N 3.12Å
456	I	73.1	Confident	49.3	Very low	43 Å²	43	110 Å²	110	22%	0.221	54%	0.541	C	S	.	.			trans	-63.2	107.2	-176.6	-52.6	178.5	0	0	0	109.9	D188 L189 Y192 P454 R458	D188-I456 HydrophobicContact CB-CD1 4.04Å; L189-I456 HydrophobicContact CD1-CG1 4.28Å; L189-I456 HydrophobicContact CD1-CG2 4.39Å; Y192-I456 HydrophobicContact CD1-CG2 3.47Å; Y192-I456 VanDerWaalsContact CD1-CG2 3.47Å; Y192-I456 HydrophobicContact CD2-CG2 4.43Å; Y192-I456 HydrophobicContact CE1-CG2 3.74Å; Y192-I456 HydrophobicContact CG-CG2 3.85Å; P454-I456 PolarHBondContact O-N 2.61Å; I456-R458 HydrophobicContact CG2-CG 3.99Å; I456-R458 PolarHBondContact O-N 2.87Å
457	K	68.3	Low	49.1	Very low	183 Å²	183	112 Å²	112	80%	0.796	54%	0.542	S	S	*	.			trans	-77.3	70.5	175.3	-68.8	-172.9	177.6	-178.7	0	111	P455 V459	P455-K457 PolarHBondContact O-N 3.12Å; K457-V459 PolarHBondContact O-N 2.87Å
458	R	67.4	Low	48.8	Very low	47 Å²	47	110 Å²	110	18%	0.177	53%	0.528	C	S	.	.			trans	-51.2	121.8	178.8	-65.3	-172.4	180	-113.1	-17.1	110.9	Y192 S224 L271 D275 I456 Q460	Y192-R458 HydrophobicContact CD2-CG 4.49Å; Y192-R458 HydrophobicContact CE2-CG 3.87Å; Y192-R458 WeakPolarHBondContact OH-CA 3.48Å; S224-R458 VanDerWaalsContact CB-NH1 3.33Å; S224-R458 WeakPolarHBondContact O-CD 3.3Å; S224-R458 PolarHBondContact O-NH1 3.01Å; S224-R458 VanDerWaalsContact O-NH1 3.13Å; S224-R458 PolarHBondContact OG-NH1 3.24Å; L271-R458 PolarHBondContact O-NH2 3.36Å; D275-R458 VanDerWaalsContact CG-NH2 3.25Å; D275-R458 IonicContact OD1-CZ 2.72Å; D275-R458 IonicContact OD1-NH1 3.14Å; D275-R458 PolarHBondContact OD1-NH1 3.2Å; D275-R458 IonicContact OD1-NH2 3.35Å; D275-R458 PolarHBondContact OD1-NH2 3.11Å; D275-R458 IonicContact OD2-CZ 2.82Å; D275-R458 IonicContact OD2-NH1 2.73Å; D275-R458 PolarHBondContact OD2-NH1 2.88Å; D275-R458 IonicContact OD2-NH2 3.71Å; D275-R458 PolarHBondContact OD2-NH2 3.04Å; I456-R458 HydrophobicContact CG2-CG 3.99Å; I456-R458 PolarHBondContact O-N 2.87Å; R458-Q460 PolarHBondContact O-N 3.05Å
459	V	56.5	Low	47.9	Very low	43 Å²	43	110.5 Å²	110.5	26%	0.261	54%	0.542	S	S	.	.			trans	-80.6	105.4	172	179.1	0	0	0	0	107.8	E107 Y192 K457 T461 Q462	E107-V459 HydrophobicContact CB-CG2 4.13Å; E107-V459 HydrophobicContact CG-CG2 4.2Å; Y192-V459 PolarHBondContact OH-N 2.82Å; K457-V459 PolarHBondContact O-N 2.87Å; V459-T461 PolarHBondContact O-N 2.95Å; V459-Q462 HydrophobicContact CG1-CG 4.5Å
460	Q	47.4	Very low	46.6	Very low	98 Å²	98	114.1 Å²	114.1	46%	0.458	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-50.1	117.7	164.8	-74	-173.5	-16.4	0	0	108.1	R458 Q462	R458-Q460 PolarHBondContact O-N 3.05Å; Q460-Q462 WeakPolarHBondContact O-CA 3.42Å; Q460-Q462 PolarHBondContact O-N 3.1Å; Q460-Q462 VanDerWaalsContact O-N 3.07Å
461	T	38.9	Very low	45.2	Very low	50 Å²	50	113.5 Å²	113.5	31%	0.307	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-54.8	120.4	-173.4	49.2	0	0	0	0	110	R199 V459 R463	R199-T461 VanDerWaalsContact NH2-CG2 3.33Å; R199-T461 PolarHBondContact NH2-OG1 2.88Å; V459-T461 PolarHBondContact O-N 2.95Å; T461-R463 PolarHBondContact O-N 2.88Å; T461-R463 VanDerWaalsContact O-N 3.15Å
462	Q	33	Very low	43.4	Very low	157 Å²	157	116.4 Å²	116.4	73%	0.734	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-56.7	117.7	-145.1	-72	-168.9	-3.2	0	0	114.2	V459 Q460 K464	V459-Q462 HydrophobicContact CG1-CG 4.5Å; Q460-Q462 WeakPolarHBondContact O-CA 3.42Å; Q460-Q462 PolarHBondContact O-N 3.1Å; Q460-Q462 VanDerWaalsContact O-N 3.07Å; Q462-K464 PolarHBondContact O-N 3.37Å
463	R	26.5	Very low	41.9	Very low	200 Å²	200	112.6 Å²	112.6	76%	0.755	57%	0.573	S	S	*	*			trans	-56.9	96.1	173.6	-65.8	171.8	169.8	-178	-5.7	111.5	T461	T461-R463 PolarHBondContact O-N 2.88Å; T461-R463 VanDerWaalsContact O-N 3.15Å
464	K	26.4	Very low	40.3	Very low	165 Å²	165	114.7 Å²	114.7	72%	0.717	60%	0.596	S	S	*	*			trans	-167.6	85.6	158.7	-112.3	167.7	-170.8	-179.1	0	113.7	Q462 I466	Q462-K464 PolarHBondContact O-N 3.37Å; K464-I466 PolarHBondContact O-N 2.99Å
465	P	25	Very low	38.7	Very low	72 Å²	72	119.4 Å²	119.4	47%	0.468	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	64.9	175	35.2	-36.7	0	0	0	112.2	N242	N242-P465 HydrophobicContact CB-CB 4.02Å; N242-P465 HydrophobicContact CB-CG 4.34Å; N242-P465 VanDerWaalsContact CG-CB 3.49Å; N242-P465 WeakPolarHBondContact OD1-CB 3.32Å; N242-P465 WeakPolarHBondContact OD1-CG 3.45Å
466	I	26.3	Very low	37.2	Very low	141 Å²	141	119 Å²	119	72%	0.723	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	-1.9	-176.8	-103.3	167.4	0	0	0	113.3	K464	K464-I466 PolarHBondContact O-N 2.99Å
467	Q	30	Very low	35	Very low	162 Å²	162	122.3 Å²	122.3	76%	0.757	65%	0.654	S	S	*	*	S	Bend	trans	-111.9	-13.5	180	-69.7	-175.6	-38.8	0	0	114.6
468	Y	30.5	Very low	32.9	Very low	130 Å²	130	120.9 Å²	120.9	51%	0.51	66%	0.655	S	S	.	*	S	Bend	trans	-96.7	8.2	-177.6	-64.3	-66.6	0	0	0	114.3	E41	E41-Y468 HydrophobicContact CB-CE1 4.07Å; E41-Y468 HydrophobicContact CG-CD1 4.37Å; E41-Y468 HydrophobicContact CG-CE1 3.99Å; E41-Y468 VanDerWaalsContact OE2-CD1 3.3Å; E41-Y468 WeakPolarHBondContact OE2-CD1 3.48Å
469	T	25.6	Very low	31.2	Very low	111 Å²	111	128 Å²	128	68%	0.681	69%	0.69	S	S	*	*			trans	-138.1	75.1	-173.4	43.7	0	0	0	0	112
470	K	25.8	Very low	29.6	Very low	208 Å²	208	134.9 Å²	134.9	90%	0.904	72%	0.72	S	S	*	*			trans	-106.6	96.2	158.2	-87.2	-167.8	173	-174.9	0	109.9
471	S	26.3	Very low	28.9	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	74%	0.737	S	S	*	*			trans	-67.5	124.1	171.5	50.3	0	0	0	0	111.1	S473	S471-S473 PolarHBondContact O-N 3.41Å
472	P	29.5	Very low	28.2	Very low	128 Å²	128	144 Å²	144	83%	0.831	76%	0.759	S	S	*	*			trans	-77.6	113.9	159.9	14.6	-0.3	0	0	0	108.6
473	S	28.6	Very low	27.9	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	76%	0.758	S	S	*	*			trans	-75.1	164	166.8	52.1	0	0	0	0	111.2	S471	S471-S473 PolarHBondContact O-N 3.41Å
474	S	33.4	Very low	28	Very low	123 Å²	123	137.8 Å²	137.8	86%	0.86	76%	0.758	S	S	*	*			trans	67.3	124.1	176.8	48.4	0	0	0	0	117.8
475	S	29.6	Very low	28	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	76%	0.756	S	S	*	*			trans	-102.5	-169.9	176.7	55.3	0	0	0	0	110.7
476	P	33.8	Very low	28.1	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	77%	0.766	S	S	*	*			cis	-128.5	170.5	-24	30.9	-12.7	0	0	0	113.5
477	S	25.4	Very low	28.2	Very low	114 Å²	114	134 Å²	134	80%	0.797	77%	0.77	S	S	*	*				170	147.5	125	45.6	0	0	0	0	114.8
478	N	25.8	Very low	28	Very low	152 Å²	152	128.9 Å²	128.9	81%	0.813	76%	0.756	S	S	*	*			trans	2.1	111.2	165.3	-58.1	-1.4	0	0	0	120.6
479	Q	30.2	Very low	27.8	Very low	198 Å²	198	125.3 Å²	125.3	93%	0.925	75%	0.749	S	S	*	*				-161.6	135.9	122.3	-111.5	155.3	74.8	0	0	111.4
480	Q	24.4	Very low	27.9	Very low	187 Å²	187	125.4 Å²	125.4	87%	0.874	75%	0.749	S	S	*	*			trans	-84.8	137.6	-179.9	-65.1	158.1	-53.5	0	0	110.6
481	H	31	Very low	28	Very low	178 Å²	178	118 Å²	118	82%	0.824	73%	0.726	S	S	*	*			trans	-152.5	137.4	154.6	-99.9	-46.7	0	0	0	111.6
482	Q	25.1	Very low	28	Very low	162 Å²	162	121.5 Å²	121.5	76%	0.757	72%	0.724	S	S	*	*			trans	-66.2	139.6	-176.5	-58.2	143.4	-33.6	0	0	111.6
483	V	27.8	Very low	28	Very low	119 Å²	119	118.1 Å²	118.1	72%	0.721	71%	0.713	S	S	*	*			trans	-132.9	93.9	166.9	-174.5	0	0	0	0	109
484	S	27.8	Very low	28.1	Very low	107 Å²	107	120.1 Å²	120.1	75%	0.748	71%	0.711	S	S	*	*			trans	-63.6	142.2	180	-174.7	0	0	0	0	112.6	S486	S484-S486 PolarHBondContact O-N 3.14Å
485	G	25.8	Very low	28	Very low	66 Å²	66	119.5 Å²	119.5	68%	0.68	70%	0.695	S	S	*	*			trans	-67.2	121.1	-176.1	0	0	0	0	0	112.6	V487	G485-V487 PolarHBondContact O-N 3.25Å
486	S	27.9	Very low	28.3	Very low	98 Å²	98	118.2 Å²	118.2	69%	0.685	68%	0.684	S	S	*	*			trans	-89.8	82.3	-173.6	-172.3	0	0	0	0	111.7	S484	S484-S486 PolarHBondContact O-N 3.14Å
487	V	27.7	Very low	28.6	Very low	133 Å²	133	116.3 Å²	116.3	81%	0.806	67%	0.667	S	S	*	*			trans	-54.1	142.9	171.9	-177.3	0	0	0	0	110.7	G485	G485-V487 PolarHBondContact O-N 3.25Å
488	A	26.5	Very low	29.4	Very low	55 Å²	55	115.2 Å²	115.2	46%	0.455	65%	0.649	S	S	.	*			trans	-75.1	144.7	-178.5	0	0	0	0	0	112	V490	A488-V490 PolarHBondContact O-N 2.75Å; A488-V490 VanDerWaalsContact O-N 3.15Å
489	P	26.8	Very low	30	Very low	55 Å²	55	113.4 Å²	113.4	36%	0.357	63%	0.632	S	S	.	*			trans	-71.3	108.9	177.4	29.4	-34.1	0	0	0	110.9	P208 M318 A491	P208-P489 HydrophobicContact CB-CG 4.45Å; P208-P489 HydrophobicContact CG-CG 3.93Å; M318-P489 HydrophobicContact CE-CG 4.08Å; P489-A491 PolarHBondContact O-N 2.91Å
490	V	25.9	Very low	30.7	Very low	114 Å²	114	106.9 Å²	106.9	69%	0.691	60%	0.599	S	S	*	*			trans	-65.7	130.6	170	-178.8	0	0	0	0	109	A488 Y492	A488-V490 PolarHBondContact O-N 2.75Å; A488-V490 VanDerWaalsContact O-N 3.15Å; V490-Y492 HydrophobicContact CG1-CD2 4.11Å; V490-Y492 HydrophobicContact CG1-CE2 3.83Å
491	A	27.9	Very low	31.6	Very low	52 Å²	52	100 Å²	100	43%	0.43	57%	0.569	S	S	.	*			trans	-120.7	98.2	-178.1	0	0	0	0	0	110.9	S286 P489	S286-A491 WeakPolarHBondContact OG-CB 3.49Å; P489-A491 PolarHBondContact O-N 2.91Å
492	Y	26.3	Very low	32.5	Very low	182 Å²	182	94.1 Å²	94.1	71%	0.714	54%	0.542	S	S	*	.			trans	-68.5	132.2	167.9	-70.4	-95.7	0	0	0	110.4	R320 V490	R320-Y492 PolarHBondContact NH2-O 2.97Å; V490-Y492 HydrophobicContact CG1-CD2 4.11Å; V490-Y492 HydrophobicContact CG1-CE2 3.83Å
493	G	29.4	Very low	33.3	Very low	58 Å²	58	88 Å²	88	60%	0.598	52%	0.516	S	S	*	.			trans	149.6	118	173.6	0	0	0	0	0	112.6
494	E	32.6	Very low	34.2	Very low	143 Å²	143	84.1 Å²	84.1	67%	0.668	50%	0.5	S	S	*	.	S	Bend	trans	72.6	120.9	179.2	-62.2	162.4	-138.8	0	0	114.2	R323 L1120	R323-E494 IonicContact NH1-OE1 2.79Å; E494-L1120 HydrophobicContact CG-CD2 4.42Å
495	E	31.2	Very low	35.1	Very low	110 Å²	110	80.3 Å²	80.3	51%	0.514	47%	0.473	S	S	.	.			trans	-65.4	125.5	-170.6	-66.6	167.2	175.3	0	0	112.3	D497 Q498	E495-D497 HydrophobicContact CB-CB 4.47Å; E495-D497 PolarHBondContact O-N 2.89Å; E495-Q498 PolarHBondContact OE2-NE2 3.3Å
496	P	34.4	Very low	35.7	Very low	88 Å²	88	80.4 Å²	80.4	57%	0.571	46%	0.461	S	S	*	.	S	Bend	trans	-71.7	-8.2	164.1	32	-35.5	0	0	0	112.4
497	D	41.2	Very low	36.5	Very low	72 Å²	72	78 Å²	78	39%	0.385	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.1	-159.9	-60.5	-73.4	0	0	0	115.7	E495 Y499 A511 K528	E495-D497 HydrophobicContact CB-CB 4.47Å; E495-D497 PolarHBondContact O-N 2.89Å; D497-Y499 VanDerWaalsContact C-N 3.28Å; D497-Y499 PolarHBondContact O-N 2.61Å; D497-A511 WeakPolarHBondContact O-CB 3.13Å; D497-K528 IonicContact OD1-NZ 2.8Å; D497-K528 PolarHBondContact OD1-NZ 3.48Å
498	Q	41.7	Very low	37.2	Very low	90 Å²	90	73.1 Å²	73.1	42%	0.421	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.2	-176.7	-66.6	-175.3	9.7	0	0	114.5	E495 P510 A511	E495-Q498 PolarHBondContact OE2-NE2 3.3Å; Q498-P510 CarbonylContact O-C 3.54Å; Q498-P510 WeakPolarHBondContact O-CA 3.42Å; Q498-A511 PolarHBondContact O-N 2.95Å
499	Y	38.1	Very low	38	Very low	114 Å²	114	73.2 Å²	73.2	45%	0.447	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	132.4	-175.9	-56.5	-95.6	0	0	0	114.2	D497 P508 L509 P510	D497-Y499 VanDerWaalsContact C-N 3.28Å; D497-Y499 PolarHBondContact O-N 2.61Å; Y499-P508 HydrophobicContact CD1-CB 3.91Å; Y499-P508 HydrophobicContact CG-CB 3.99Å; Y499-L509 CarbonylContact C-O 3.54Å; Y499-L509 VanDerWaalsContact CA-O 3.24Å; Y499-L509 WeakPolarHBondContact CA-O 3.38Å; Y499-P510 HydrophobicContact CD1-CG 4.43Å; Y499-P510 HydrophobicContact CE1-CG 4.22Å
500	Y	44.4	Very low	38.9	Very low	61 Å²	61	73.4 Å²	73.4	24%	0.239	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.7	168.4	-64.2	-77.6	0	0	0	111.5	P508 L509 A511 I514 L519	Y500-P508 WeakPolarHBondContact O-CA 2.89Å; Y500-L509 PolarHBondContact N-O 2.88Å; Y500-L509 PolarHBondContact O-N 3.12Å; Y500-A511 HydrophobicContact CD2-CB 4.33Å; Y500-A511 HydrophobicContact CE2-CB 3.9Å; Y500-I514 VanDerWaalsContact CB-CD1 3.47Å; Y500-I514 HydrophobicContact CD2-CB 4.1Å; Y500-I514 HydrophobicContact CD2-CD1 3.59Å; Y500-I514 HydrophobicContact CD2-CG1 3.83Å; Y500-I514 HydrophobicContact CE2-CB 4.32Å; Y500-I514 HydrophobicContact CG-CD1 3.77Å; Y500-I514 HydrophobicContact CG-CG1 4.49Å; Y500-L519 HydrophobicContact CD1-CD2 3.93Å; Y500-L519 HydrophobicContact CE1-CD1 4.13Å; Y500-L519 HydrophobicContact CE1-CD2 3.49Å; Y500-L519 VanDerWaalsContact CE1-CD2 3.49Å; Y500-L519 HydrophobicContact CE1-CG 4.44Å; Y500-L519 HydrophobicContact CE2-CD1 4.02Å; Y500-L519 WeakPolarHBondContact OH-CD1 3.3Å
501	L	44.8	Very low	39.8	Very low	44 Å²	44	69.3 Å²	69.3	23%	0.23	39%	0.387	C	S	.	.			trans	-95.9	88.2	164.6	-79.7	158.8	0	0	0	108.6	N281 P508	N281-L501 WeakPolarHBondContact ND2-CD1 3.41Å; L501-P508 HydrophobicContact CD2-CB 4.36Å; L501-P508 HydrophobicContact CD2-CG 4.05Å; L501-P508 HydrophobicContact CG-CB 4.48Å; L501-P508 HydrophobicContact CG-CG 4.49Å
502	M	49.3	Very low	40.9	Very low	54 Å²	54	72.5 Å²	72.5	27%	0.266	40%	0.397	S	S	.	.			trans	-66.6	141.1	172.5	-89.1	-164.1	75.2	0	0	110.5	G504 T505 L509 I514 V518	M502-G504 PolarHBondContact O-N 3.25Å; M502-T505 HydrophobicContact CB-CG2 3.57Å; M502-T505 PolarHBondContact N-OG1 3.47Å; M502-T505 PolarHBondContact O-N 2.96Å; M502-T505 PolarHBondContact O-OG1 3.13Å; M502-L509 HydrophobicContact CG-CD1 4.37Å; M502-L509 HydrophobicContact SD-CD1 4.06Å; M502-I514 HydrophobicContact CG-CD1 3.6Å; M502-I514 HydrophobicContact SD-CD1 3.82Å; M502-V518 HydrophobicContact CE-CG1 3.62Å; M502-V518 HydrophobicContact SD-CG1 4.34Å
503	P	42.1	Very low	42.1	Very low	33 Å²	33	67.1 Å²	67.1	21%	0.214	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	138.7	173.3	-15.8	26.9	0	0	0	111.4	L265 T505 L522 Y526	L265-P503 HydrophobicContact CB-CB 3.39Å; L265-P503 HydrophobicContact CB-CG 3.77Å; L265-P503 HydrophobicContact CD1-CB 4.41Å; L265-P503 HydrophobicContact CD1-CG 3.89Å; L265-P503 WeakPolarHBondContact O-CB 3.42Å; P503-T505 PolarHBondContact O-N 3.08Å; P503-L522 HydrophobicContact CG-CD2 4.4Å; P503-Y526 HydrophobicContact CG-CD1 4.25Å; P503-Y526 HydrophobicContact CG-CE1 3.87Å
504	G	46.2	Very low	43.1	Very low	37 Å²	37	65.4 Å²	65.4	38%	0.381	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-9	-174.1	0	0	0	0	0	116.3	M502	M502-G504 PolarHBondContact O-N 3.25Å
505	T	46.2	Very low	44.1	Very low	28 Å²	28	62.8 Å²	62.8	17%	0.172	35%	0.353	C	S	.	.			trans	-80.7	140	176.8	61	0	0	0	0	112.2	Q269 M502 P503 L509	Q269-T505 PolarHBondContact NE2-O 3.18Å; M502-T505 HydrophobicContact CB-CG2 3.57Å; M502-T505 PolarHBondContact N-OG1 3.47Å; M502-T505 PolarHBondContact O-N 2.96Å; M502-T505 PolarHBondContact O-OG1 3.13Å; P503-T505 PolarHBondContact O-N 3.08Å; T505-L509 HydrophobicContact CG2-CD1 4.15Å
506	P	39.5	Very low	45	Very low	67 Å²	67	61.9 Å²	61.9	44%	0.435	36%	0.356	S	S	.	.	S	Bend	trans	-93.1	3.9	-176.5	38.1	-38.4	0	0	0	113.9	Q273 R276	Q273-P506 HydrophobicContact CG-CB 3.85Å; R276-P506 PolarHBondContact NH1-O 3.3Å
507	S	44.2	Very low	45.8	Very low	48 Å²	48	62.2 Å²	62.2	34%	0.336	35%	0.353	S	S	.	.	S	Bend	trans	-156.8	148.1	178.3	-67.3	0	0	0	0	108.8	R276 L509	R276-S507 PolarHBondContact NH1-OG 3.38Å; S507-L509 PolarHBondContact O-N 2.72Å
508	P	42.3	Very low	46.4	Very low	30 Å²	30	61.6 Å²	61.6	20%	0.195	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-62.3	130.5	177.5	-17.1	30	0	0	0	110.9	E280 Y499 Y500 L501	E280-P508 HydrophobicContact CG-CG 4.46Å; Y499-P508 HydrophobicContact CD1-CB 3.91Å; Y499-P508 HydrophobicContact CG-CB 3.99Å; Y500-P508 WeakPolarHBondContact O-CA 2.89Å; L501-P508 HydrophobicContact CD2-CB 4.36Å; L501-P508 HydrophobicContact CD2-CG 4.05Å; L501-P508 HydrophobicContact CG-CB 4.48Å; L501-P508 HydrophobicContact CG-CG 4.49Å
509	L	44.5	Very low	46.8	Very low	58 Å²	58	59 Å²	59	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.6	174.7	-72.7	175.5	0	0	0	109.5	Y499 Y500 M502 T505 S507 I514	Y499-L509 CarbonylContact C-O 3.54Å; Y499-L509 VanDerWaalsContact CA-O 3.24Å; Y499-L509 WeakPolarHBondContact CA-O 3.38Å; Y500-L509 PolarHBondContact N-O 2.88Å; Y500-L509 PolarHBondContact O-N 3.12Å; M502-L509 HydrophobicContact CG-CD1 4.37Å; M502-L509 HydrophobicContact SD-CD1 4.06Å; T505-L509 HydrophobicContact CG2-CD1 4.15Å; S507-L509 PolarHBondContact O-N 2.72Å; L509-I514 HydrophobicContact CB-CD1 4.12Å; L509-I514 HydrophobicContact CB-CG1 4.15Å; L509-I514 HydrophobicContact CD1-CD1 3.99Å; L509-I514 HydrophobicContact CD1-CG1 4.19Å
510	P	45.8	Very low	47.3	Very low	58 Å²	58	58.8 Å²	58.8	38%	0.377	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	144.1	171.2	-27.9	35.1	0	0	0	112.3	Q498 Y499 N512 S513	Q498-P510 CarbonylContact O-C 3.54Å; Q498-P510 WeakPolarHBondContact O-CA 3.42Å; Y499-P510 HydrophobicContact CD1-CG 4.43Å; Y499-P510 HydrophobicContact CE1-CG 4.22Å; P510-N512 PolarHBondContact O-N 3.49Å; P510-S513 WeakPolarHBondContact CD-OG 3.48Å; P510-S513 PolarHBondContact O-N 2.8Å; P510-S513 PolarHBondContact O-OG 3.49Å
511	A	44.3	Very low	47.7	Very low	28 Å²	28	62.5 Å²	62.5	23%	0.231	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-56.7	-41.4	-177.7	0	0	0	0	0	112.3	D497 Q498 Y500 S513 I514	D497-A511 WeakPolarHBondContact O-CB 3.13Å; Q498-A511 PolarHBondContact O-N 2.95Å; Y500-A511 HydrophobicContact CD2-CB 4.33Å; Y500-A511 HydrophobicContact CE2-CB 3.9Å; A511-S513 PolarHBondContact O-N 3.3Å; A511-S513 VanDerWaalsContact O-N 3.13Å; A511-I514 PolarHBondContact O-N 2.62Å
512	N	51.4	Low	47.8	Very low	119 Å²	119	61.7 Å²	61.7	64%	0.636	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-67	-6.8	177.6	-44.5	71.5	0	0	0	114.2	P510	P510-N512 PolarHBondContact O-N 3.49Å
513	S	50.4	Low	47.6	Very low	70 Å²	70	62 Å²	62	49%	0.49	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-109.2	15.1	-178.1	73	0	0	0	0	114.4	P510 A511	P510-S513 WeakPolarHBondContact CD-OG 3.48Å; P510-S513 PolarHBondContact O-N 2.8Å; P510-S513 PolarHBondContact O-OG 3.49Å; A511-S513 PolarHBondContact O-N 3.3Å; A511-S513 VanDerWaalsContact O-N 3.13Å
514	I	50.3	Low	47.6	Very low	22 Å²	22	65.5 Å²	65.5	11%	0.113	39%	0.392	C	S	.	.	S	Bend	trans	-112.6	129.3	176.8	-65	-150	0	0	0	110.7	Y500 M502 L509 A511 V516 L519	Y500-I514 VanDerWaalsContact CB-CD1 3.47Å; Y500-I514 HydrophobicContact CD2-CB 4.1Å; Y500-I514 HydrophobicContact CD2-CD1 3.59Å; Y500-I514 HydrophobicContact CD2-CG1 3.83Å; Y500-I514 HydrophobicContact CE2-CB 4.32Å; Y500-I514 HydrophobicContact CG-CD1 3.77Å; Y500-I514 HydrophobicContact CG-CG1 4.49Å; M502-I514 HydrophobicContact CG-CD1 3.6Å; M502-I514 HydrophobicContact SD-CD1 3.82Å; L509-I514 HydrophobicContact CB-CD1 4.12Å; L509-I514 HydrophobicContact CB-CG1 4.15Å; L509-I514 HydrophobicContact CD1-CD1 3.99Å; L509-I514 HydrophobicContact CD1-CG1 4.19Å; A511-I514 PolarHBondContact O-N 2.62Å; I514-V516 PolarHBondContact O-N 2.79Å; I514-L519 HydrophobicContact CG2-CD1 3.78Å; I514-L519 HydrophobicContact CG2-CG 3.95Å
515	N	54.6	Low	47.1	Very low	87 Å²	87	65 Å²	65	47%	0.465	38%	0.383	S	S	.	.			trans	-66	125.6	170.1	178.8	0.1	0	0	0	109.8	D517 V518	N515-D517 PolarHBondContact ND2-OD2 2.73Å; N515-D517 PolarHBondContact O-N 2.94Å; N515-D517 VanDerWaalsContact OD1-CG 3.32Å; N515-D517 PolarHBondContact OD1-N 3.41Å; N515-D517 PolarHBondContact OD1-OD2 3Å; N515-V518 HydrophobicContact CB-CG2 4.14Å; N515-V518 WeakPolarHBondContact O-CB 3.42Å; N515-V518 PolarHBondContact O-N 2.86Å
516	V	49.5	Very low	46.6	Very low	92 Å²	92	65.7 Å²	65.7	56%	0.558	38%	0.383	S	S	*	.	H	α-helix	trans	-52.8	-36	178.5	-168.6	0	0	0	0	112.3	I514 V518 L519 Q520	I514-V516 PolarHBondContact O-N 2.79Å; V516-V518 PolarHBondContact O-N 3.49Å; V516-L519 WeakPolarHBondContact O-CB 3.27Å; V516-L519 PolarHBondContact O-N 3.39Å; V516-L519 VanDerWaalsContact O-N 3.12Å; V516-Q520 PolarHBondContact O-N 3.06Å
517	D	51.1	Low	46.9	Very low	95 Å²	95	67.4 Å²	67.4	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-56	-35.4	176.4	-57.3	-34.4	0	0	0	112.2	N515 N521	N515-D517 PolarHBondContact ND2-OD2 2.73Å; N515-D517 PolarHBondContact O-N 2.94Å; N515-D517 VanDerWaalsContact OD1-CG 3.32Å; N515-D517 PolarHBondContact OD1-N 3.41Å; N515-D517 PolarHBondContact OD1-OD2 3Å; D517-N521 PolarHBondContact O-ND2 2.95Å
518	V	54.8	Low	46.7	Very low	58 Å²	58	68.9 Å²	68.9	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-74.2	-35.1	-177.1	-176.6	0	0	0	0	110.7	M502 N515 V516 N521	M502-V518 HydrophobicContact CE-CG1 3.62Å; M502-V518 HydrophobicContact SD-CG1 4.34Å; N515-V518 HydrophobicContact CB-CG2 4.14Å; N515-V518 WeakPolarHBondContact O-CB 3.42Å; N515-V518 PolarHBondContact O-N 2.86Å; V516-V518 PolarHBondContact O-N 3.49Å; V518-N521 PolarHBondContact O-N 3.3Å
519	L	48.4	Very low	46.6	Very low	37 Å²	37	71.5 Å²	71.5	19%	0.194	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-43	176.3	-82	155.5	0	0	0	112	Y500 I514 V516 N521 L522	Y500-L519 HydrophobicContact CD1-CD2 3.93Å; Y500-L519 HydrophobicContact CE1-CD1 4.13Å; Y500-L519 HydrophobicContact CE1-CD2 3.49Å; Y500-L519 VanDerWaalsContact CE1-CD2 3.49Å; Y500-L519 HydrophobicContact CE1-CG 4.44Å; Y500-L519 HydrophobicContact CE2-CD1 4.02Å; Y500-L519 WeakPolarHBondContact OH-CD1 3.3Å; I514-L519 HydrophobicContact CG2-CD1 3.78Å; I514-L519 HydrophobicContact CG2-CG 3.95Å; V516-L519 WeakPolarHBondContact O-CB 3.27Å; V516-L519 PolarHBondContact O-N 3.39Å; V516-L519 VanDerWaalsContact O-N 3.12Å; L519-N521 PolarHBondContact O-N 3.33Å; L519-L522 HydrophobicContact CD2-CD1 4.25Å; L519-L522 PolarHBondContact O-N 3.48Å
520	Q	48.9	Very low	46.6	Very low	109 Å²	109	69.9 Å²	69.9	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-28.6	178.5	-66.7	-178.4	2.7	0	0	112.9	V516 R527	V516-Q520 PolarHBondContact O-N 3.06Å; Q520-R527 PolarHBondContact O-NH2 3.09Å
521	N	52.9	Low	46.9	Very low	138 Å²	138	70.2 Å²	70.2	74%	0.738	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.8	-180	-79	-76.7	0	0	0	114.6	D517 V518 L519	D517-N521 PolarHBondContact O-ND2 2.95Å; V518-N521 PolarHBondContact O-N 3.3Å; L519-N521 PolarHBondContact O-N 3.33Å
522	L	47.8	Very low	47.5	Very low	28 Å²	28	76.5 Å²	76.5	15%	0.147	43%	0.426	C	S	.	.	S	Bend	trans	-74.9	148	177.8	-72.5	172.3	0	0	0	112.4	P503 L519 R527	P503-L522 HydrophobicContact CG-CD2 4.4Å; L519-L522 HydrophobicContact CD2-CD1 4.25Å; L519-L522 PolarHBondContact O-N 3.48Å; L522-R527 VanDerWaalsContact O-CZ 3.31Å; L522-R527 PolarHBondContact O-NE 3.45Å; L522-R527 PolarHBondContact O-NH2 3.04Å
523	P	44.2	Very low	48.4	Very low	59 Å²	59	72.6 Å²	72.6	38%	0.383	40%	0.403	S	S	.	.			trans	-60.9	153.1	173.2	-21.6	32.9	0	0	0	112.2	L265 A525 Y526 R527	L265-P523 HydrophobicContact CD1-CG 4.33Å; P523-A525 PolarHBondContact O-N 3.47Å; P523-Y526 HydrophobicContact CB-CD2 4.37Å; P523-Y526 HydrophobicContact CG-CD2 4.27Å; P523-Y526 WeakPolarHBondContact O-CB 3.17Å; P523-Y526 PolarHBondContact O-N 2.97Å; P523-R527 PolarHBondContact O-N 3.46Å
524	P	41.4	Very low	49.5	Very low	108 Å²	108	71.7 Å²	71.7	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.4	-178.8	-28.8	36.3	0	0	0	115.7	Y526	P524-Y526 PolarHBondContact O-N 2.79Å
525	A	36.1	Very low	50.8	Low	25 Å²	25	76 Å²	76	21%	0.207	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.2	175	0	0	0	0	0	114.5	L262 P523	L262-A525 HydrophobicContact CD2-CB 4.2Å; P523-A525 PolarHBondContact O-N 3.47Å
526	Y	37.1	Very low	52.1	Low	43 Å²	43	73.7 Å²	73.7	17%	0.169	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-14.8	180	-79.6	-86.4	0	0	0	113.8	L262 L265 P503 P523 P524	L262-Y526 VanDerWaalsContact CA-OH 3.23Å; L262-Y526 WeakPolarHBondContact CA-OH 3.34Å; L262-Y526 HydrophobicContact CD2-CD1 4.28Å; L262-Y526 HydrophobicContact CD2-CD2 3.81Å; L262-Y526 HydrophobicContact CD2-CE1 3.9Å; L262-Y526 HydrophobicContact CD2-CE2 3.36Å; L262-Y526 HydrophobicContact CD2-CG 4.26Å; L262-Y526 VanDerWaalsContact CD2-CZ 3.44Å; L262-Y526 PolarHBondContact O-OH 2.74Å; L265-Y526 HydrophobicContact CB-CE2 4.36Å; L265-Y526 VanDerWaalsContact CB-OH 3.29Å; L265-Y526 WeakPolarHBondContact CB-OH 3.35Å; L265-Y526 HydrophobicContact CD1-CD2 3.82Å; L265-Y526 HydrophobicContact CD1-CE1 4.36Å; L265-Y526 HydrophobicContact CD1-CE2 3.31Å; L265-Y526 HydrophobicContact CG-CE2 3.73Å; P503-Y526 HydrophobicContact CG-CD1 4.25Å; P503-Y526 HydrophobicContact CG-CE1 3.87Å; P523-Y526 HydrophobicContact CB-CD2 4.37Å; P523-Y526 HydrophobicContact CG-CD2 4.27Å; P523-Y526 WeakPolarHBondContact O-CB 3.17Å; P523-Y526 PolarHBondContact O-N 2.97Å; P524-Y526 PolarHBondContact O-N 2.79Å
527	R	45.5	Very low	53.3	Low	103 Å²	103	71.6 Å²	71.6	39%	0.389	40%	0.399	S	S	.	.	S	Bend	trans	-66.9	143.6	164.5	-58.2	177.7	-164	-156.4	-6.1	106.9	Q520 L522 P523	Q520-R527 PolarHBondContact O-NH2 3.09Å; L522-R527 VanDerWaalsContact O-CZ 3.31Å; L522-R527 PolarHBondContact O-NE 3.45Å; L522-R527 PolarHBondContact O-NH2 3.04Å; P523-R527 PolarHBondContact O-N 3.46Å
528	K	40.2	Very low	54.3	Low	80 Å²	80	75.5 Å²	75.5	35%	0.348	41%	0.414	S	S	.	.			trans	-55.7	134.1	175	-69.1	-179.1	-179.2	176	0	107.9	D497 G530	D497-K528 IonicContact OD1-NZ 2.8Å; D497-K528 PolarHBondContact OD1-NZ 3.48Å; K528-G530 PolarHBondContact O-N 2.89Å; K528-G530 VanDerWaalsContact O-N 3.11Å
529	P	40.3	Very low	55.1	Low	84 Å²	84	74.1 Å²	74.1	55%	0.545	41%	0.405	S	S	.	.			trans	-59.6	112.8	149.7	-6.9	23.1	0	0	0	104.9	H212	H212-P529 HydrophobicContact CB-CG 4.19Å
530	G	44.7	Very low	56.7	Low	25 Å²	25	75.8 Å²	75.8	26%	0.258	41%	0.411	S	S	.	.			trans	-65.2	174.7	-177.2	0	0	0	0	0	112.9	K528 E780	K528-G530 PolarHBondContact O-N 2.89Å; K528-G530 VanDerWaalsContact O-N 3.11Å; G530-E780 WeakPolarHBondContact CA-OE1 3.46Å; G530-E780 WeakPolarHBondContact CA-OE2 3.48Å; G530-E780 PolarHBondContact N-OE2 2.92Å
531	P	51.2	Low	58.7	Low	64 Å²	64	70.9 Å²	70.9	42%	0.416	39%	0.388	S	S	.	.			trans	-54.9	145.6	169.8	26.9	-34.1	0	0	0	109.4	R533	P531-R533 VanDerWaalsContact C-N 3.34Å; P531-R533 VanDerWaalsContact O-CD 3.27Å; P531-R533 WeakPolarHBondContact O-CD 3.48Å; P531-R533 PolarHBondContact O-N 3.16Å
532	I	56	Low	60.5	Low	161 Å²	161	65.3 Å²	65.3	83%	0.826	36%	0.358	S	S	*	.			trans	-64.3	101.5	174.7	-61.7	174.9	0	0	0	107.1
533	R	70.7	Confident	62.6	Low	37 Å²	37	64 Å²	64	14%	0.14	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-59.8	140.6	-172.1	-55.7	-53.4	-62.6	-83.9	5.1	110.4	P531 P535 A778 E780 E807 T915	P531-R533 VanDerWaalsContact C-N 3.34Å; P531-R533 VanDerWaalsContact O-CD 3.27Å; P531-R533 WeakPolarHBondContact O-CD 3.48Å; P531-R533 PolarHBondContact O-N 3.16Å; R533-P535 VanDerWaalsContact O-CD 3.31Å; R533-P535 WeakPolarHBondContact O-CD 3.39Å; R533-A778 PolarHBondContact NH1-O 3.08Å; R533-A778 PolarHBondContact NH2-O 2.87Å; R533-E780 VanDerWaalsContact CD-OE1 3.31Å; R533-E780 WeakPolarHBondContact CD-OE1 3.43Å; R533-E780 HydrophobicContact CG-CG 4.45Å; R533-E780 WeakPolarHBondContact CG-OE1 3.35Å; R533-E807 VanDerWaalsContact CA-OE1 3.24Å; R533-E807 WeakPolarHBondContact CA-OE1 3.32Å; R533-E807 IonicContact CZ-OE1 3.33Å; R533-E807 IonicContact CZ-OE2 3.39Å; R533-E807 IonicContact NE-OE1 3.22Å; R533-E807 PolarHBondContact NE-OE1 3.11Å; R533-E807 IonicContact NE-OE2 2.79Å; R533-E807 PolarHBondContact NE-OE2 3.34Å; R533-E807 VanDerWaalsContact NE-OE2 3.14Å; R533-E807 IonicContact NH2-OE1 2.74Å; R533-E807 IonicContact NH2-OE2 3.4Å; R533-E807 PolarHBondContact NH2-OE2 3.44Å; R533-T915 VanDerWaalsContact NH2-C 3.33Å; R533-T915 PolarHBondContact NH2-O 3.04Å; R533-T915 VanDerWaalsContact NH2-O 3.11Å
534	V	73.5	Confident	64.7	Low	51 Å²	51	61.6 Å²	61.6	31%	0.309	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-65.2	121.1	173	176.6	0	0	0	0	107.2	L536 Q777 V806 E807	V534-L536 PolarHBondContact O-N 3.34Å; V534-Q777 PolarHBondContact O-NE2 2.93Å; V534-V806 HydrophobicContact CB-CG1 4.3Å; V534-V806 HydrophobicContact CG1-CG1 4.02Å; V534-V806 HydrophobicContact CG2-CG1 4.31Å; V534-E807 HydrophobicContact CB-CG 4.29Å; V534-E807 HydrophobicContact CG2-CG 3.81Å; V534-E807 PolarHBondContact N-OE1 2.92Å
535	P	77.5	Confident	66.6	Low	111 Å²	111	57 Å²	57	72%	0.721	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-57.8	130.8	174.9	-23.4	34.6	0	0	0	109.5	R533	R533-P535 VanDerWaalsContact O-CD 3.31Å; R533-P535 WeakPolarHBondContact O-CD 3.39Å
536	L	82.1	Confident	68.7	Low	39 Å²	39	56.3 Å²	56.3	20%	0.204	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.8	132.3	172.8	-74	175.1	0	0	0	108.8	V534 E538 L768 F775 Q777 T916	V534-L536 PolarHBondContact O-N 3.34Å; L536-E538 PolarHBondContact O-N 2.99Å; L536-L768 HydrophobicContact CD1-CB 3.62Å; L536-F775 HydrophobicContact CD2-CB 3.61Å; L536-Q777 HydrophobicContact CD1-CB 4.26Å; L536-Q777 HydrophobicContact CD2-CB 3.86Å; L536-Q777 HydrophobicContact CG-CB 4.17Å; L536-T916 HydrophobicContact CD2-CG2 4.29Å
537	P	75.6	Confident	71	Confident	49 Å²	49	54.6 Å²	54.6	32%	0.318	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.9	129	176.9	-26	36	0	0	0	111.3	F775	P537-F775 HydrophobicContact CG-CD1 4.26Å; P537-F775 HydrophobicContact CG-CD2 3.97Å; P537-F775 HydrophobicContact CG-CE1 4.07Å; P537-F775 HydrophobicContact CG-CE2 3.79Å; P537-F775 HydrophobicContact CG-CG 4.22Å; P537-F775 HydrophobicContact CG-CZ 3.84Å
538	E	71.6	Confident	72.9	Confident	177 Å²	177	50.7 Å²	50.7	83%	0.827	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-68.9	155.3	165.2	-62.5	-175	166.3	0	0	109.7	L536	L536-E538 PolarHBondContact O-N 2.99Å
539	D	72.5	Confident	75	Confident	29 Å²	29	48.5 Å²	48.5	16%	0.155	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-84.9	140.2	174.1	-85	30.7	0	0	0	110.8	W576 P771 N772	D539-W576 HydrophobicContact CB-CH2 3.51Å; D539-W576 HydrophobicContact CB-CZ2 3.5Å; D539-W576 HydrophobicContact CB-CZ3 4.47Å; D539-W576 VanDerWaalsContact O-CH2 3.24Å; D539-W576 WeakPolarHBondContact O-CH2 3.05Å; D539-P771 HydrophobicContact CB-CB 4.1Å; D539-N772 VanDerWaalsContact CG-N 3.27Å; D539-N772 WeakPolarHBondContact OD1-CA 3.49Å; D539-N772 WeakPolarHBondContact OD1-CB 3.42Å; D539-N772 VanDerWaalsContact OD1-CG 3.27Å; D539-N772 PolarHBondContact OD1-N 2.9Å; D539-N772 PolarHBondContact OD1-ND2 3.45Å; D539-N772 WeakPolarHBondContact OD2-CA 3.47Å; D539-N772 WeakPolarHBondContact OD2-CB 3.34Å; D539-N772 PolarHBondContact OD2-N 3.08Å
540	H	82.1	Confident	76.7	Confident	71 Å²	71	52.9 Å²	52.9	33%	0.329	29%	0.289	S	S	.	.			trans	-107.4	168.2	165.6	65.5	-73.3	0	0	0	110.7	Q542 D557 N575	H540-Q542 PolarHBondContact CE1-NE2 3.33Å; H540-Q542 VanDerWaalsContact CE1-NE2 3.27Å; H540-Q542 PolarHBondContact O-N 2.94Å; H540-D557 PolarHBondContact NE2-O 3.03Å; H540-N575 PolarHBondContact O-ND2 2.85Å
541	W	89.8	Confident	78.5	Confident	6 Å²	6	52 Å²	52	2%	0.023	28%	0.281	C	S	.	.			trans	-68.7	124.2	174.4	-78.9	73.4	0	0	0	110.3	W576 L578 P703 F716 V738 S739 A741 I746	W541-W576 AromaticContact CD1-CE3 3.46Å; W541-W576 VanDerWaalsContact CD1-CE3 3.46Å; W541-W576 AromaticContact CD1-CZ3 3.59Å; W541-W576 HydrophobicContact CD2-CB 4.29Å; W541-W576 AromaticContact CD2-CE3 3.9Å; W541-W576 HydrophobicContact CD2-CE3 3.9Å; W541-W576 AromaticContact CE2-CE3 3.67Å; W541-W576 HydrophobicContact CE3-CB 4.13Å; W541-W576 AromaticContact CG-CE3 3.79Å; W541-W576 HydrophobicContact CG-CE3 3.79Å; W541-W576 HydrophobicContact CG-CZ3 4.24Å; W541-W576 HydrophobicContact CH2-CB 3.73Å; W541-W576 HydrophobicContact CZ2-CB 3.91Å; W541-W576 HydrophobicContact CZ2-CE3 4.36Å; W541-W576 HydrophobicContact CZ3-CB 3.85Å; W541-W576 WeakPolarHBondContact CZ3-O 3.47Å; W541-W576 AromaticContact NE1-CE3 3.39Å; W541-W576 AromaticContact NE1-CZ3 3.74Å; W541-L578 HydrophobicContact CH2-CD1 4.49Å; W541-L578 HydrophobicContact CH2-CD2 3.96Å; W541-L578 HydrophobicContact CH2-CG 4.04Å; W541-L578 HydrophobicContact CZ2-CD2 4.26Å; W541-P703 HydrophobicContact CZ3-CG 4.05Å; W541-F716 HydrophobicContact CB-CB 3.64Å; W541-F716 HydrophobicContact CB-CD1 4.35Å; W541-F716 HydrophobicContact CB-CD2 3.77Å; W541-F716 HydrophobicContact CB-CG 3.65Å; W541-F716 HydrophobicContact CG-CB 4.34Å; W541-F716 WeakPolarHBondContact O-CD2 3.37Å; W541-F716 WeakPolarHBondContact O-CE2 3.39Å; W541-V738 HydrophobicContact CD2-CB 4.19Å; W541-V738 HydrophobicContact CD2-CG2 3.8Å; W541-V738 HydrophobicContact CE3-CB 4Å; W541-V738 HydrophobicContact CE3-CG2 3.58Å; W541-V738 HydrophobicContact CG-CG2 4.34Å; W541-V738 HydrophobicContact CH2-CB 3.99Å; W541-V738 HydrophobicContact CH2-CG2 4.48Å; W541-V738 HydrophobicContact CZ2-CB 4.15Å; W541-V738 VanDerWaalsContact CZ2-O 3.23Å; W541-V738 WeakPolarHBondContact CZ2-O 3.38Å; W541-V738 HydrophobicContact CZ3-CB 3.9Å; W541-V738 HydrophobicContact CZ3-CG2 3.96Å; W541-V738 PolarHBondContact NE1-O 3.28Å; W541-V738 VanDerWaalsContact NE1-O 3.14Å; W541-S739 VanDerWaalsContact CD1-CA 3.46Å; W541-A741 HydrophobicContact CZ2-CB 4.47Å; W541-I746 HydrophobicContact CZ2-CD1 4.12Å; W541-I746 HydrophobicContact CZ2-CG1 4.22Å
542	Q	90.4	Very high	80.2	Confident	22 Å²	22	49.9 Å²	49.9	10%	0.103	27%	0.266	C	S	.	.			trans	-151.6	154.4	-177.4	67.1	-178.6	-98	0	0	111.8	H540 S544 D557 T574 N575	H540-Q542 PolarHBondContact CE1-NE2 3.33Å; H540-Q542 VanDerWaalsContact CE1-NE2 3.27Å; H540-Q542 PolarHBondContact O-N 2.94Å; Q542-S544 PolarHBondContact O-N 2.83Å; Q542-D557 WeakPolarHBondContact CB-O 3.28Å; Q542-T574 CarbonylContact O-C 3.56Å; Q542-T574 WeakPolarHBondContact O-CA 3.44Å; Q542-T574 WeakPolarHBondContact O-CB 3.45Å; Q542-N575 HydrophobicContact CG-CB 4.28Å; Q542-N575 PolarHBondContact N-OD1 2.67Å; Q542-N575 VanDerWaalsContact N-OD1 3.09Å; Q542-N575 PolarHBondContact O-N 3.25Å; Q542-N575 PolarHBondContact O-OD1 3.33Å; Q542-N575 VanDerWaalsContact O-OD1 3.07Å
543	M	91.7	Very high	81.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-64.8	124.8	167	-59.6	-56.8	-62.7	0	0	110	A545 R554 G558 I561 C572 T574 V705 F716	M543-A545 PolarHBondContact O-N 2.8Å; M543-R554 PolarHBondContact O-NH1 2.88Å; M543-G558 WeakPolarHBondContact CB-O 3.4Å; M543-G558 WeakPolarHBondContact CG-O 3.19Å; M543-G558 PolarHBondContact N-O 2.67Å; M543-I561 HydrophobicContact CE-CD1 4.14Å; M543-I561 HydrophobicContact CG-CD1 3.57Å; M543-I561 HydrophobicContact CG-CG1 3.96Å; M543-I561 HydrophobicContact SD-CD1 4.14Å; M543-C572 VanDerWaalsContact CE-C 3.49Å; M543-C572 HydrophobicContact CE-CB 3.81Å; M543-C572 VanDerWaalsContact CE-O 3.24Å; M543-C572 WeakPolarHBondContact CE-O 3.25Å; M543-T574 HydrophobicContact SD-CG2 3.73Å; M543-V705 HydrophobicContact CE-CB 4.16Å; M543-V705 HydrophobicContact CE-CG2 4.04Å; M543-V705 HydrophobicContact SD-CG2 4.39Å; M543-F716 HydrophobicContact CG-CZ 4.36Å; M543-F716 HydrophobicContact SD-CZ 3.97Å
544	S	88.5	Confident	82.3	Confident	8 Å²	8	44.1 Å²	44.1	6%	0.056	24%	0.244	C	C	.	.			trans	-78.8	108.7	-173	-176.2	0	0	0	0	110.9	Q542 A546 D547 C548 C572 R573 N751	Q542-S544 PolarHBondContact O-N 2.83Å; S544-A546 PolarHBondContact O-N 2.79Å; S544-D547 CarbonylContact O-C 3.57Å; S544-D547 PolarHBondContact O-N 3.02Å; S544-C548 PolarHBondContact O-N 2.76Å; S544-C548 PolarHBondContact O-SG 2.85Å; S544-C572 PolarHBondContact O-SG 2.89Å; S544-R573 WeakPolarHBondContact CB-O 3.28Å; S544-R573 PolarHBondContact N-O 3.31Å; S544-N751 PolarHBondContact OG-O 2.85Å
545	A	82.5	Confident	82.9	Confident	10 Å²	10	43.6 Å²	43.6	8%	0.083	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-46.7	-42.2	175.4	0	0	0	0	0	112.8	M543 D547 C548 R554 D923 F938	M543-A545 PolarHBondContact O-N 2.8Å; A545-D547 PolarHBondContact O-N 3.04Å; A545-D547 VanDerWaalsContact O-N 3.15Å; A545-C548 WeakPolarHBondContact O-CB 3.25Å; A545-C548 PolarHBondContact O-N 2.73Å; A545-C548 VanDerWaalsContact O-N 3.11Å; A545-R554 VanDerWaalsContact CB-CZ 3.49Å; A545-D923 HydrophobicContact CB-CB 3.92Å; A545-F938 HydrophobicContact CB-CZ 4.45Å; A545-F938 VanDerWaalsContact O-CZ 3.26Å; A545-F938 WeakPolarHBondContact O-CZ 3.29Å
546	A	80	Confident	82.9	Confident	12 Å²	12	43.9 Å²	43.9	10%	0.099	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55	-30.9	179.2	0	0	0	0	0	114.6	S544 N751 G753 F938	S544-A546 PolarHBondContact O-N 2.79Å; A546-N751 WeakPolarHBondContact CB-O 3.39Å; A546-N751 PolarHBondContact O-ND2 2.98Å; A546-N751 PolarHBondContact O-OD1 2.76Å; A546-G753 VanDerWaalsContact CB-CA 3.41Å; A546-F938 HydrophobicContact CB-CE2 4.33Å
547	D	84.7	Confident	82.9	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.032	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-111.9	16.1	-174.5	-148.5	33.2	0	0	0	111.7	S544 A545 C572 R573 L607 N749 N751	S544-D547 CarbonylContact O-C 3.57Å; S544-D547 PolarHBondContact O-N 3.02Å; A545-D547 PolarHBondContact O-N 3.04Å; A545-D547 VanDerWaalsContact O-N 3.15Å; D547-C572 VanDerWaalsContact C-SG 3.58Å; D547-C572 WeakPolarHBondContact O-CA 3.4Å; D547-R573 VanDerWaalsContact CG-NH2 3.27Å; D547-R573 IonicContact OD1-CZ 3.51Å; D547-R573 IonicContact OD1-NH2 2.74Å; D547-R573 PolarHBondContact OD1-NH2 2.95Å; D547-R573 WeakPolarHBondContact OD2-CB 3.35Å; D547-R573 IonicContact OD2-CZ 2.71Å; D547-R573 IonicContact OD2-NE 3.2Å; D547-R573 PolarHBondContact OD2-NE 3.48Å; D547-R573 IonicContact OD2-NH2 2.67Å; D547-R573 PolarHBondContact OD2-NH2 3.13Å; D547-L607 VanDerWaalsContact O-CD1 3.31Å; D547-L607 WeakPolarHBondContact O-CD1 3.27Å; D547-L607 VanDerWaalsContact O-CD2 3.26Å; D547-L607 WeakPolarHBondContact O-CD2 3.2Å; D547-N749 PolarHBondContact OD2-ND2 2.81Å; D547-N751 WeakPolarHBondContact CA-ND2 3.44Å; D547-N751 HydrophobicContact CB-CB 4.11Å; D547-N751 WeakPolarHBondContact OD1-CB 3.47Å; D547-N751 PolarHBondContact OD1-ND2 3.47Å
548	C	84.4	Confident	83.4	Confident	21 Å²	21	43.6 Å²	43.6	14%	0.142	23%	0.23	C	C	.	.	S	Bend	trans	-96	139.5	170.7	-65.3	0	0	0	0	110	S544 A545 L552 G571 C572	S544-C548 PolarHBondContact O-N 2.76Å; S544-C548 PolarHBondContact O-SG 2.85Å; A545-C548 WeakPolarHBondContact O-CB 3.25Å; A545-C548 PolarHBondContact O-N 2.73Å; A545-C548 VanDerWaalsContact O-N 3.11Å; C548-L552 HydrophobicContact CB-CB 4.36Å; C548-L552 HydrophobicContact CB-CD2 3.94Å; C548-G571 WeakPolarHBondContact CA-O 3.18Å; C548-C572 WeakPolarHBondContact CA-SG 3.45Å; C548-C572 HydrophobicContact CB-CB 3.68Å; C548-C572 WeakPolarHBondContact CB-SG 3.31Å; C548-C572 PolarHBondContact N-SG 3.14Å; C548-C572 VanDerWaalsContact N-SG 3.36Å; C548-C572 WeakPolarHBondContact SG-CB 3.31Å; C548-C572 CovalentContact SG-SG 2.04Å; C548-C572 PolarHBondContact SG-SG 2.9Å
549	T	85.1	Confident	84.3	Confident	35 Å²	35	35.8 Å²	35.8	22%	0.215	19%	0.194	C	C	.	.			trans	-69.7	153.5	174.1	56.9	0	0	0	0	112.1	G551 L552 Q570 G571 L607	T549-G551 VanDerWaalsContact C-N 3.25Å; T549-G551 PolarHBondContact O-N 3.29Å; T549-L552 VanDerWaalsContact O-CB 3.26Å; T549-L552 WeakPolarHBondContact O-CB 3.48Å; T549-L552 PolarHBondContact O-N 2.93Å; T549-Q570 VanDerWaalsContact CB-OE1 3.25Å; T549-Q570 WeakPolarHBondContact OG1-CA 3.3Å; T549-Q570 VanDerWaalsContact OG1-CB 3.29Å; T549-Q570 WeakPolarHBondContact OG1-CB 3.28Å; T549-Q570 PolarHBondContact OG1-OE1 2.92Å; T549-G571 PolarHBondContact N-O 3.38Å; T549-G571 PolarHBondContact OG1-N 2.83Å; T549-L607 HydrophobicContact CG2-CB 4.22Å; T549-L607 HydrophobicContact CG2-CD1 3.69Å
550	Q	76.2	Confident	85.3	Confident	175 Å²	175	35.8 Å²	35.8	82%	0.818	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.9	-169.6	-69.8	-178.9	-19.3	0	0	115.8	L552	Q550-L552 VanDerWaalsContact C-N 3.28Å; Q550-L552 PolarHBondContact O-N 3.45Å
551	G	82.5	Confident	85.8	Confident	8 Å²	8	32.5 Å²	32.5	8%	0.082	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	8.2	176.1	0	0	0	0	0	114.5	T549 M564 Q570	T549-G551 VanDerWaalsContact C-N 3.25Å; T549-G551 PolarHBondContact O-N 3.29Å; G551-M564 WeakPolarHBondContact O-CG 3.47Å; G551-M564 PolarHBondContact O-N 2.97Å; G551-Q570 VanDerWaalsContact CA-OE1 3.23Å
552	L	86	Confident	85.9	Confident	18 Å²	18	33.7 Å²	33.7	9%	0.094	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.9	-177.3	-157	80.9	0	0	0	111.3	C548 T549 Q550 I561 A562 A563 Q570 C572 L707	C548-L552 HydrophobicContact CB-CB 4.36Å; C548-L552 HydrophobicContact CB-CD2 3.94Å; T549-L552 VanDerWaalsContact O-CB 3.26Å; T549-L552 WeakPolarHBondContact O-CB 3.48Å; T549-L552 PolarHBondContact O-N 2.93Å; Q550-L552 VanDerWaalsContact C-N 3.28Å; Q550-L552 PolarHBondContact O-N 3.45Å; L552-I561 HydrophobicContact CD1-CG2 3.84Å; L552-I561 HydrophobicContact CD2-CG2 3.59Å; L552-I561 HydrophobicContact CG-CG2 3.63Å; L552-A562 CarbonylContact C-O 3.56Å; L552-A562 WeakPolarHBondContact CA-O 3.39Å; L552-A563 HydrophobicContact CD1-CB 4.38Å; L552-Q570 HydrophobicContact CB-CB 4.14Å; L552-Q570 HydrophobicContact CD1-CB 3.63Å; L552-Q570 HydrophobicContact CG-CB 4.47Å; L552-C572 HydrophobicContact CD2-CB 3.41Å; L552-C572 VanDerWaalsContact CD2-CB 3.41Å; L552-L707 HydrophobicContact CD1-CB 4.23Å; L552-L707 HydrophobicContact CD1-CD1 4.16Å; L552-L707 HydrophobicContact CD1-CG 4.42Å
553	G	83.2	Confident	86	Confident	33 Å²	33	33.1 Å²	33.1	34%	0.34	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	155	169.4	0	0	0	0	0	112.2	I561 A562	G553-I561 WeakPolarHBondContact O-CA 3.48Å; G553-A562 PolarHBondContact N-O 2.72Å; G553-A562 PolarHBondContact O-N 2.88Å
554	R	87.6	Confident	85.7	Confident	44 Å²	44	38.2 Å²	38.2	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.5	169.3	65.3	172	-169	152.7	6.9	111.7	M543 A545 D560 R774 D923	M543-R554 PolarHBondContact O-NH1 2.88Å; A545-R554 VanDerWaalsContact CB-CZ 3.49Å; R554-D560 CarbonylContact C-O 3.59Å; R554-D560 WeakPolarHBondContact CA-O 3.14Å; R554-R774 VanDerWaalsContact NH2-NH2 3.13Å; R554-D923 PolarHBondContact NH2-O 3.24Å
555	N	86.1	Confident	85.4	Confident	41 Å²	41	43 Å²	43	22%	0.219	25%	0.245	C	C	.	.			trans	-68.9	170.5	166.4	72.3	-25.6	0	0	0	111.9	D557 G558 T559 D560	N555-D557 VanDerWaalsContact C-N 3.26Å; N555-D557 PolarHBondContact ND2-OD2 2.98Å; N555-D557 VanDerWaalsContact ND2-OD2 3.16Å; N555-D557 PolarHBondContact O-N 3.44Å; N555-G558 PolarHBondContact O-N 3.12Å; N555-G558 WeakPolarHBondContact OD1-CA 3.22Å; N555-G558 PolarHBondContact OD1-N 3.11Å; N555-T559 PolarHBondContact ND2-OG1 3.44Å; N555-T559 VanDerWaalsContact ND2-OG1 3.08Å; N555-T559 PolarHBondContact OD1-N 2.82Å; N555-D560 HydrophobicContact CB-CB 4.03Å; N555-D560 PolarHBondContact N-O 3.31Å; N555-D560 PolarHBondContact OD1-N 3.23Å; N555-D560 PolarHBondContact OD1-O 3.21Å
556	I	77.4	Confident	85.4	Confident	116 Å²	116	51.7 Å²	51.7	60%	0.595	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.1	-179.2	-170.6	164.1	0	0	0	113	G558 L924	I556-G558 VanDerWaalsContact C-N 3.28Å; I556-G558 PolarHBondContact O-N 2.99Å; I556-L924 HydrophobicContact CD1-CD1 4.42Å; I556-L924 HydrophobicContact CG1-CD1 4.19Å; I556-L924 HydrophobicContact CG1-CD2 4.11Å
557	D	82.4	Confident	85.5	Confident	82 Å²	82	52.5 Å²	52.5	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.5	177.6	-43.1	-58.1	0	0	0	112.6	H540 Q542 N555 T559	H540-D557 PolarHBondContact NE2-O 3.03Å; Q542-D557 WeakPolarHBondContact CB-O 3.28Å; N555-D557 VanDerWaalsContact C-N 3.26Å; N555-D557 PolarHBondContact ND2-OD2 2.98Å; N555-D557 VanDerWaalsContact ND2-OD2 3.16Å; N555-D557 PolarHBondContact O-N 3.44Å; D557-T559 VanDerWaalsContact C-N 3.33Å; D557-T559 HydrophobicContact CB-CG2 4.3Å; D557-T559 PolarHBondContact O-N 3.47Å
558	G	86.1	Confident	85.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	65.1	29.8	-176.3	0	0	0	0	0	115	M543 N555 I556	M543-G558 WeakPolarHBondContact CB-O 3.4Å; M543-G558 WeakPolarHBondContact CG-O 3.19Å; M543-G558 PolarHBondContact N-O 2.67Å; N555-G558 PolarHBondContact O-N 3.12Å; N555-G558 WeakPolarHBondContact OD1-CA 3.22Å; N555-G558 PolarHBondContact OD1-N 3.11Å; I556-G558 VanDerWaalsContact C-N 3.28Å; I556-G558 PolarHBondContact O-N 2.99Å
559	T	91.8	Very high	85.9	Confident	13 Å²	13	58.5 Å²	58.5	8%	0.08	31%	0.313	C	S	.	.			trans	-102.4	-36.5	175.5	58.9	0	0	0	0	112.7	N555 D557 E713 V714	N555-T559 PolarHBondContact ND2-OG1 3.44Å; N555-T559 VanDerWaalsContact ND2-OG1 3.08Å; N555-T559 PolarHBondContact OD1-N 2.82Å; D557-T559 VanDerWaalsContact C-N 3.33Å; D557-T559 HydrophobicContact CB-CG2 4.3Å; D557-T559 PolarHBondContact O-N 3.47Å; T559-E713 CarbonylContact O-C 3.55Å; T559-E713 WeakPolarHBondContact O-CA 3.09Å; T559-V714 WeakPolarHBondContact CB-O 3.48Å; T559-V714 PolarHBondContact O-N 3.41Å
560	D	92.2	Very high	86.3	Confident	30 Å²	30	58 Å²	58	16%	0.16	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.9	-179.6	174.1	6.5	0	0	0	109	R554 N555 R711	R554-D560 CarbonylContact C-O 3.59Å; R554-D560 WeakPolarHBondContact CA-O 3.14Å; N555-D560 HydrophobicContact CB-CB 4.03Å; N555-D560 PolarHBondContact N-O 3.31Å; N555-D560 PolarHBondContact OD1-N 3.23Å; N555-D560 PolarHBondContact OD1-O 3.21Å; D560-R711 IonicContact OD1-CZ 3.04Å; D560-R711 IonicContact OD1-NE 3.71Å; D560-R711 PolarHBondContact OD1-NE 3.48Å; D560-R711 IonicContact OD1-NH2 2.72Å; D560-R711 IonicContact OD2-CZ 3.14Å; D560-R711 IonicContact OD2-NE 3.66Å; D560-R711 IonicContact OD2-NH2 4Å; D560-R711 PolarHBondContact OD2-NH2 3.08Å
561	I	92.9	Very high	87	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.8	-167.6	-39.1	166.1	0	0	0	109.2	M543 L552 G553 V705 L707 R711 V712 V714	M543-I561 HydrophobicContact CE-CD1 4.14Å; M543-I561 HydrophobicContact CG-CD1 3.57Å; M543-I561 HydrophobicContact CG-CG1 3.96Å; M543-I561 HydrophobicContact SD-CD1 4.14Å; L552-I561 HydrophobicContact CD1-CG2 3.84Å; L552-I561 HydrophobicContact CD2-CG2 3.59Å; L552-I561 HydrophobicContact CG-CG2 3.63Å; G553-I561 WeakPolarHBondContact O-CA 3.48Å; I561-V705 HydrophobicContact CD1-CB 3.86Å; I561-V705 HydrophobicContact CD1-CG1 3.98Å; I561-V705 HydrophobicContact CD1-CG2 3.68Å; I561-L707 HydrophobicContact CB-CD1 4.07Å; I561-L707 HydrophobicContact CG2-CD1 3.89Å; I561-L707 WeakPolarHBondContact O-CD1 3.11Å; I561-R711 CarbonylContact O-C 3.53Å; I561-R711 VanDerWaalsContact O-CA 3.22Å; I561-R711 WeakPolarHBondContact O-CA 3.34Å; I561-R711 WeakPolarHBondContact O-CG 3.45Å; I561-V712 PolarHBondContact N-O 3.4Å; I561-V712 PolarHBondContact O-N 2.78Å; I561-V714 HydrophobicContact CD1-CG2 3.73Å
562	A	92.4	Very high	87.5	Confident	32 Å²	32	49.4 Å²	49.4	26%	0.264	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136	175.7	0	0	0	0	0	111.5	L552 G553 R711	L552-A562 CarbonylContact C-O 3.56Å; L552-A562 WeakPolarHBondContact CA-O 3.39Å; G553-A562 PolarHBondContact N-O 2.72Å; G553-A562 PolarHBondContact O-N 2.88Å; A562-R711 HydrophobicContact CB-CB 4.23Å; A562-R711 HydrophobicContact CB-CG 3.93Å
563	A	91.8	Very high	87.9	Confident	9 Å²	9	49.2 Å²	49.2	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.6	161.7	0	0	0	0	0	110.1	L552 Q570 L707 A710	L552-A563 HydrophobicContact CD1-CB 4.38Å; A563-Q570 HydrophobicContact CB-CB 4.42Å; A563-Q570 HydrophobicContact CB-CG 4.28Å; A563-L707 HydrophobicContact CB-CB 3.78Å; A563-A710 PolarHBondContact N-O 3.25Å
564	M	85	Confident	88.4	Confident	108 Å²	108	47.6 Å²	47.6	53%	0.532	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-61.6	141.1	170.7	-71.9	-176.2	-175.8	0	0	110.5	G551 T567	G551-M564 WeakPolarHBondContact O-CG 3.47Å; G551-M564 PolarHBondContact O-N 2.97Å; M564-T567 HydrophobicContact CB-CG2 3.74Å; M564-T567 WeakPolarHBondContact O-CB 3.48Å; M564-T567 PolarHBondContact O-N 2.82Å; M564-T567 PolarHBondContact O-OG1 3.18Å
565	P	84.1	Confident	88.5	Confident	110 Å²	110	46.4 Å²	46.4	71%	0.714	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	148.1	173.9	-26.3	35	0	0	0	112.8	T567	P565-T567 PolarHBondContact O-N 3.13Å; P565-T567 VanDerWaalsContact O-N 3.07Å
566	E	80.9	Confident	88.8	Confident	191 Å²	191	45.8 Å²	45.8	89%	0.893	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	3.8	178.7	-53.3	-172.2	169.4	0	0	115.3	N709	E566-N709 PolarHBondContact N-OD1 2.84Å
567	T	81.8	Confident	89.4	Confident	30 Å²	30	40.3 Å²	40.3	18%	0.184	21%	0.21	C	C	.	.			trans	-75.1	153.1	171.7	61	0	0	0	0	112.3	M564 P565 K708	M564-T567 HydrophobicContact CB-CG2 3.74Å; M564-T567 WeakPolarHBondContact O-CB 3.48Å; M564-T567 PolarHBondContact O-N 2.82Å; M564-T567 PolarHBondContact O-OG1 3.18Å; P565-T567 PolarHBondContact O-N 3.13Å; P565-T567 VanDerWaalsContact O-N 3.07Å; T567-K708 WeakPolarHBondContact O-CE 3.29Å; T567-K708 WeakPolarHBondContact O-CG 3.48Å
568	E	88.1	Confident	89.9	Confident	124 Å²	124	36.4 Å²	36.4	58%	0.579	19%	0.19	S	C	*	.			trans	-71.2	173.2	161.6	-84.4	-56.2	143.6	0	0	111.2	Q570 K708	E568-Q570 WeakPolarHBondContact O-CG 3.48Å; E568-Q570 PolarHBondContact O-N 2.87Å; E568-Q570 VanDerWaalsContact O-N 3.08Å; E568-Q570 PolarHBondContact O-NE2 3.01Å; E568-K708 IonicContact OE1-NZ 2.65Å; E568-K708 PolarHBondContact OE1-NZ 3.27Å; E568-K708 WeakPolarHBondContact OE2-CE 3.2Å; E568-K708 IonicContact OE2-NZ 2.73Å; E568-K708 PolarHBondContact OE2-NZ 3.26Å
569	W	91	Very high	89.9	Confident	29 Å²	29	39.6 Å²	39.6	11%	0.11	20%	0.204	C	C	.	.			trans	-43.3	118.7	179	-76.4	88.3	0	0	0	112.7	Q595 R597 I608 A620 D621 K708	W569-Q595 HydrophobicContact CH2-CB 3.69Å; W569-Q595 HydrophobicContact CZ2-CB 3.6Å; W569-R597 HydrophobicContact CH2-CG 3.84Å; W569-R597 HydrophobicContact CZ3-CB 4.34Å; W569-R597 HydrophobicContact CZ3-CG 3.77Å; W569-I608 HydrophobicContact CB-CD1 4.1Å; W569-I608 HydrophobicContact CB-CG2 3.85Å; W569-I608 HydrophobicContact CG-CG2 4.24Å; W569-I608 WeakPolarHBondContact O-CD1 2.92Å; W569-A620 HydrophobicContact CH2-CB 4.4Å; W569-D621 WeakPolarHBondContact CZ2-O 3.44Å; W569-K708 HydrophobicContact CD2-CB 4.12Å; W569-K708 HydrophobicContact CE3-CB 4.43Å; W569-K708 HydrophobicContact CG-CB 4.3Å; W569-K708 HydrophobicContact CG-CD 4.41Å
570	Q	91.9	Very high	89.2	Confident	25 Å²	25	39.4 Å²	39.4	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	161.2	172.7	-59.6	-53.5	-60.9	0	0	109.4	T549 G551 L552 A563 E568 S706 L707	T549-Q570 VanDerWaalsContact CB-OE1 3.25Å; T549-Q570 WeakPolarHBondContact OG1-CA 3.3Å; T549-Q570 VanDerWaalsContact OG1-CB 3.29Å; T549-Q570 WeakPolarHBondContact OG1-CB 3.28Å; T549-Q570 PolarHBondContact OG1-OE1 2.92Å; G551-Q570 VanDerWaalsContact CA-OE1 3.23Å; L552-Q570 HydrophobicContact CB-CB 4.14Å; L552-Q570 HydrophobicContact CD1-CB 3.63Å; L552-Q570 HydrophobicContact CG-CB 4.47Å; A563-Q570 HydrophobicContact CB-CB 4.42Å; A563-Q570 HydrophobicContact CB-CG 4.28Å; E568-Q570 WeakPolarHBondContact O-CG 3.48Å; E568-Q570 PolarHBondContact O-N 2.87Å; E568-Q570 VanDerWaalsContact O-N 3.08Å; E568-Q570 PolarHBondContact O-NE2 3.01Å; Q570-S706 CarbonylContact O-C 3.5Å; Q570-S706 WeakPolarHBondContact O-CA 3.47Å; Q570-S706 VanDerWaalsContact O-CB 3.29Å; Q570-S706 WeakPolarHBondContact O-CB 3.35Å; Q570-L707 PolarHBondContact N-O 3.31Å; Q570-L707 PolarHBondContact O-N 2.84Å
571	G	92.1	Very high	88.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	161.3	178.9	0	0	0	0	0	115.2	C548 T549 L607 V705	C548-G571 WeakPolarHBondContact CA-O 3.18Å; T549-G571 PolarHBondContact N-O 3.38Å; T549-G571 PolarHBondContact OG1-N 2.83Å; G571-L607 WeakPolarHBondContact CA-O 3.48Å; G571-V705 CarbonylContact C-O 3.49Å; G571-V705 VanDerWaalsContact CA-O 3.25Å; G571-V705 WeakPolarHBondContact CA-O 3.26Å
572	C	92.9	Very high	88.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.3	-177.1	-163.8	0	0	0	0	113	M543 S544 D547 C548 L552 A704 V705	M543-C572 VanDerWaalsContact CE-C 3.49Å; M543-C572 HydrophobicContact CE-CB 3.81Å; M543-C572 VanDerWaalsContact CE-O 3.24Å; M543-C572 WeakPolarHBondContact CE-O 3.25Å; S544-C572 PolarHBondContact O-SG 2.89Å; D547-C572 VanDerWaalsContact C-SG 3.58Å; D547-C572 WeakPolarHBondContact O-CA 3.4Å; C548-C572 WeakPolarHBondContact CA-SG 3.45Å; C548-C572 HydrophobicContact CB-CB 3.68Å; C548-C572 WeakPolarHBondContact CB-SG 3.31Å; C548-C572 PolarHBondContact N-SG 3.14Å; C548-C572 VanDerWaalsContact N-SG 3.36Å; C548-C572 WeakPolarHBondContact SG-CB 3.31Å; C548-C572 CovalentContact SG-SG 2.04Å; C548-C572 PolarHBondContact SG-SG 2.9Å; L552-C572 HydrophobicContact CD2-CB 3.41Å; L552-C572 VanDerWaalsContact CD2-CB 3.41Å; C572-A704 WeakPolarHBondContact O-CA 3.32Å; C572-V705 PolarHBondContact N-O 3.21Å; C572-V705 PolarHBondContact O-N 3.27Å
573	R	94.4	Very high	88.2	Confident	14 Å²	14	40.6 Å²	40.6	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	161.1	172.9	-60.9	179.9	-71.4	-126.7	-14.3	110.6	S544 D547 S601 T602 N603 A605 L607 F702 A704	S544-R573 WeakPolarHBondContact CB-O 3.28Å; S544-R573 PolarHBondContact N-O 3.31Å; D547-R573 VanDerWaalsContact CG-NH2 3.27Å; D547-R573 IonicContact OD1-CZ 3.51Å; D547-R573 IonicContact OD1-NH2 2.74Å; D547-R573 PolarHBondContact OD1-NH2 2.95Å; D547-R573 WeakPolarHBondContact OD2-CB 3.35Å; D547-R573 IonicContact OD2-CZ 2.71Å; D547-R573 IonicContact OD2-NE 3.2Å; D547-R573 PolarHBondContact OD2-NE 3.48Å; D547-R573 IonicContact OD2-NH2 2.67Å; D547-R573 PolarHBondContact OD2-NH2 3.13Å; R573-S601 WeakPolarHBondContact CD-OG 3.41Å; R573-S601 WeakPolarHBondContact CG-OG 3.44Å; R573-T602 PolarHBondContact NH1-O 2.92Å; R573-N603 PolarHBondContact NH1-O 2.85Å; R573-A605 PolarHBondContact NH1-O 3.15Å; R573-L607 HydrophobicContact CG-CD2 4.01Å; R573-F702 HydrophobicContact CB-CB 4.15Å; R573-A704 HydrophobicContact CG-CB 4.09Å
574	T	93.9	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-67.8	164.9	174.7	40.7	0	0	0	0	114.3	Q542 M543 W576 P703 F716 N749	Q542-T574 CarbonylContact O-C 3.56Å; Q542-T574 WeakPolarHBondContact O-CA 3.44Å; Q542-T574 WeakPolarHBondContact O-CB 3.45Å; M543-T574 HydrophobicContact SD-CG2 3.73Å; T574-W576 WeakPolarHBondContact CB-O 3.47Å; T574-W576 PolarHBondContact O-N 3.36Å; T574-W576 PolarHBondContact OG1-O 3.34Å; T574-P703 HydrophobicContact CG2-CB 3.78Å; T574-P703 HydrophobicContact CG2-CG 4.29Å; T574-P703 PolarHBondContact N-O 3.26Å; T574-P703 VanDerWaalsContact OG1-CD 3.28Å; T574-P703 WeakPolarHBondContact OG1-CD 3.48Å; T574-P703 PolarHBondContact OG1-O 3.06Å; T574-F716 HydrophobicContact CG2-CE1 3.53Å; T574-F716 HydrophobicContact CG2-CZ 3.53Å; T574-N749 WeakPolarHBondContact O-CB 3.14Å; T574-N749 PolarHBondContact O-ND2 2.67Å
575	N	89	Confident	88.6	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.102	19%	0.185	C	C	.	.	S	Bend	trans	-61.6	-29.1	167.9	61	-25.7	0	0	0	112.8	H540 Q542 N749	H540-N575 PolarHBondContact O-ND2 2.85Å; Q542-N575 HydrophobicContact CG-CB 4.28Å; Q542-N575 PolarHBondContact N-OD1 2.67Å; Q542-N575 VanDerWaalsContact N-OD1 3.09Å; Q542-N575 PolarHBondContact O-N 3.25Å; Q542-N575 PolarHBondContact O-OD1 3.33Å; Q542-N575 VanDerWaalsContact O-OD1 3.07Å; N575-N749 WeakPolarHBondContact O-CB 3.49Å; N575-N749 PolarHBondContact O-N 3.04Å
576	W	91.6	Very high	89.2	Confident	28 Å²	28	30.1 Å²	30.1	11%	0.106	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	-176.6	-67.2	-32.1	0	0	0	113.1	D539 W541 T574 F702 I746 Y748	D539-W576 HydrophobicContact CB-CH2 3.51Å; D539-W576 HydrophobicContact CB-CZ2 3.5Å; D539-W576 HydrophobicContact CB-CZ3 4.47Å; D539-W576 VanDerWaalsContact O-CH2 3.24Å; D539-W576 WeakPolarHBondContact O-CH2 3.05Å; W541-W576 AromaticContact CD1-CE3 3.46Å; W541-W576 VanDerWaalsContact CD1-CE3 3.46Å; W541-W576 AromaticContact CD1-CZ3 3.59Å; W541-W576 HydrophobicContact CD2-CB 4.29Å; W541-W576 AromaticContact CD2-CE3 3.9Å; W541-W576 HydrophobicContact CD2-CE3 3.9Å; W541-W576 AromaticContact CE2-CE3 3.67Å; W541-W576 HydrophobicContact CE3-CB 4.13Å; W541-W576 AromaticContact CG-CE3 3.79Å; W541-W576 HydrophobicContact CG-CE3 3.79Å; W541-W576 HydrophobicContact CG-CZ3 4.24Å; W541-W576 HydrophobicContact CH2-CB 3.73Å; W541-W576 HydrophobicContact CZ2-CB 3.91Å; W541-W576 HydrophobicContact CZ2-CE3 4.36Å; W541-W576 HydrophobicContact CZ3-CB 3.85Å; W541-W576 WeakPolarHBondContact CZ3-O 3.47Å; W541-W576 AromaticContact NE1-CE3 3.39Å; W541-W576 AromaticContact NE1-CZ3 3.74Å; T574-W576 WeakPolarHBondContact CB-O 3.47Å; T574-W576 PolarHBondContact O-N 3.36Å; T574-W576 PolarHBondContact OG1-O 3.34Å; W576-F702 VanDerWaalsContact C-CE1 3.43Å; W576-F702 VanDerWaalsContact O-CD1 3.29Å; W576-F702 WeakPolarHBondContact O-CD1 3.34Å; W576-I746 HydrophobicContact CB-CG2 4Å; W576-I746 HydrophobicContact CD2-CG2 4.31Å; W576-I746 HydrophobicContact CG-CG2 3.86Å; W576-Y748 AromaticContact CD1-CD1 3.72Å; W576-Y748 AromaticContact CD1-CE1 3.98Å; W576-Y748 HydrophobicContact CZ2-CE1 4.48Å; W576-Y748 AromaticContact NE1-CD1 3.31Å; W576-Y748 VanDerWaalsContact NE1-CD1 3.31Å; W576-Y748 AromaticContact NE1-CE1 3.12Å; W576-Y748 AromaticContact NE1-CZ 3.69Å
577	G	92.1	Very high	89.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	174.4	177.6	0	0	0	0	0	111.3	L701 F702 I746 V747	G577-L701 CarbonylContact C-O 3.54Å; G577-L701 VanDerWaalsContact CA-O 3.23Å; G577-L701 WeakPolarHBondContact CA-O 3.3Å; G577-F702 VanDerWaalsContact N-CD1 3.35Å; G577-I746 CarbonylContact O-C 3.58Å; G577-I746 WeakPolarHBondContact O-CA 3.49Å; G577-V747 PolarHBondContact N-O 3.18Å; G577-V747 PolarHBondContact O-N 2.6Å
578	L	91.5	Very high	90.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.3	-164.8	-62.7	168.2	0	0	0	111.8	W541 Y584 W600 L660 I662 A700 L701 V738 A741 S745 I746	W541-L578 HydrophobicContact CH2-CD1 4.49Å; W541-L578 HydrophobicContact CH2-CD2 3.96Å; W541-L578 HydrophobicContact CH2-CG 4.04Å; W541-L578 HydrophobicContact CZ2-CD2 4.26Å; L578-Y584 HydrophobicContact CD1-CD1 3.87Å; L578-Y584 HydrophobicContact CD1-CD2 3.86Å; L578-Y584 HydrophobicContact CD1-CE1 4.45Å; L578-Y584 HydrophobicContact CD1-CE2 4.43Å; L578-Y584 HydrophobicContact CD1-CG 3.53Å; L578-Y584 HydrophobicContact CD2-CD1 4.37Å; L578-Y584 HydrophobicContact CD2-CE1 4.22Å; L578-W600 HydrophobicContact CD1-CH2 4.27Å; L578-W600 HydrophobicContact CD1-CZ3 4.07Å; L578-L660 HydrophobicContact CB-CD2 4.45Å; L578-L660 HydrophobicContact CD1-CD2 4.46Å; L578-I662 HydrophobicContact CB-CD1 4.17Å; L578-A700 CarbonylContact O-C 3.56Å; L578-A700 VanDerWaalsContact O-CA 3.26Å; L578-A700 WeakPolarHBondContact O-CA 3.46Å; L578-L701 PolarHBondContact N-O 3.45Å; L578-L701 PolarHBondContact O-N 2.99Å; L578-V738 HydrophobicContact CD1-CB 4.46Å; L578-V738 HydrophobicContact CD1-CG1 3.91Å; L578-A741 HydrophobicContact CD2-CB 3.58Å; L578-S745 WeakPolarHBondContact CA-O 3.34Å; L578-I746 HydrophobicContact CD2-CG1 4.43Å
579	K	87	Confident	90.9	Very high	68 Å²	68	15.2 Å²	15.2	30%	0.296	8%	0.082	S	C	.	.			trans	-123.5	-35.5	-179.4	174.6	179.9	172.3	169.9	0	113.2	R671 P697 D698 A700 S745 V747	K579-R671 PolarHBondContact O-NH1 2.86Å; K579-P697 VanDerWaalsContact CE-O 3.28Å; K579-P697 WeakPolarHBondContact CE-O 3.45Å; K579-D698 IonicContact NZ-OD1 3.4Å; K579-D698 PolarHBondContact NZ-OD1 3.44Å; K579-A700 HydrophobicContact CB-CB 4.18Å; K579-S745 PolarHBondContact N-O 2.8Å; K579-V747 HydrophobicContact CB-CG2 3.61Å; K579-V747 HydrophobicContact CD-CG2 4Å; K579-V747 HydrophobicContact CG-CG2 4.44Å
580	G	76.8	Confident	91.1	Very high	9 Å²	9	14 Å²	14	9%	0.093	8%	0.078	C	C	.	.	S	Bend	trans	-75.4	161.7	-174.7	0	0	0	0	0	113.9	G582 I662 S745	G580-G582 PolarHBondContact O-N 2.96Å; G580-I662 WeakPolarHBondContact O-CB 3.18Å; G580-S745 WeakPolarHBondContact CA-OG 3.46Å
581	P	81.9	Confident	91.1	Very high	79 Å²	79	16 Å²	16	51%	0.513	9%	0.089	S	C	.	.	S	Bend	trans	-83.2	101.8	-170.1	31.6	-34.9	0	0	0	113.4	I662 K733	P581-I662 CarbonylContact C-O 3.47Å; P581-I662 VanDerWaalsContact C-O 3.32Å; P581-I662 WeakPolarHBondContact CA-O 3.48Å; P581-I662 WeakPolarHBondContact CB-O 3.33Å; P581-K733 PolarHBondContact O-NZ 3.29Å
582	G	85.1	Confident	91.1	Very high	8 Å²	8	20.2 Å²	20.2	8%	0.082	11%	0.109	C	C	.	.	S	Bend	trans	-156.7	176.9	-178.5	0	0	0	0	0	112.9	G580 Y584 I662	G580-G582 PolarHBondContact O-N 2.96Å; G582-Y584 VanDerWaalsContact CA-CE2 3.48Å; G582-I662 PolarHBondContact N-O 2.69Å; G582-I662 VanDerWaalsContact N-O 3.11Å; G582-I662 PolarHBondContact O-N 3.17Å
583	A	89.5	Confident	90.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.6	174.4	0	0	0	0	0	108.4	E661 P729 W735 V736	A583-E661 HydrophobicContact CB-CG 4.06Å; A583-P729 HydrophobicContact CB-CB 3.73Å; A583-P729 HydrophobicContact CB-CG 3.45Å; A583-P729 VanDerWaalsContact CB-CG 3.45Å; A583-W735 HydrophobicContact CB-CD2 4.27Å; A583-W735 HydrophobicContact CB-CE3 3.7Å; A583-W735 HydrophobicContact CB-CH2 4.41Å; A583-W735 HydrophobicContact CB-CZ3 3.78Å; A583-V736 PolarHBondContact O-N 2.75Å
584	Y	92.5	Very high	90.4	Very high	5 Å²	5	26 Å²	26	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.1	-166.2	-57.9	-77.6	0	0	0	112.3	L578 G582 Y659 L660 I662 W735 V736 A741 S745	L578-Y584 HydrophobicContact CD1-CD1 3.87Å; L578-Y584 HydrophobicContact CD1-CD2 3.86Å; L578-Y584 HydrophobicContact CD1-CE1 4.45Å; L578-Y584 HydrophobicContact CD1-CE2 4.43Å; L578-Y584 HydrophobicContact CD1-CG 3.53Å; L578-Y584 HydrophobicContact CD2-CD1 4.37Å; L578-Y584 HydrophobicContact CD2-CE1 4.22Å; G582-Y584 VanDerWaalsContact CA-CE2 3.48Å; Y584-Y659 WeakPolarHBondContact O-CA 3.24Å; Y584-L660 PolarHBondContact N-O 2.89Å; Y584-L660 PolarHBondContact O-N 3.46Å; Y584-I662 HydrophobicContact CE2-CD1 4.38Å; Y584-W735 WeakPolarHBondContact O-CZ3 3.3Å; Y584-V736 CarbonylContact C-O 3.58Å; Y584-V736 VanDerWaalsContact CA-O 3.3Å; Y584-V736 WeakPolarHBondContact CA-O 3.23Å; Y584-V736 HydrophobicContact CD1-CB 4.44Å; Y584-A741 HydrophobicContact CD1-CB 4.09Å; Y584-A741 HydrophobicContact CE1-CB 3.72Å; Y584-S745 WeakPolarHBondContact OH-CB 3.5Å; Y584-S745 PolarHBondContact OH-OG 3.29Å
585	Y	93.2	Very high	90.3	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.5	-169.8	173.6	-106.9	0	0	0	113.8	E587 C658 Y659 F721 F723 P725 V736 A737 V738	Y585-E587 HydrophobicContact CE1-CG 4.07Å; Y585-E587 WeakPolarHBondContact OH-CG 3.29Å; Y585-E587 PolarHBondContact OH-OE1 3.02Å; Y585-C658 WeakPolarHBondContact CA-O 3.36Å; Y585-C658 WeakPolarHBondContact CD2-O 3.47Å; Y585-Y659 AromaticContact CD2-CD1 3.49Å; Y585-Y659 HydrophobicContact CD2-CD1 3.49Å; Y585-Y659 VanDerWaalsContact CD2-CD1 3.49Å; Y585-Y659 HydrophobicContact CD2-CD2 4.13Å; Y585-Y659 AromaticContact CD2-CE1 3.3Å; Y585-Y659 HydrophobicContact CD2-CE1 3.3Å; Y585-Y659 AromaticContact CD2-CE2 3.95Å; Y585-Y659 HydrophobicContact CD2-CE2 3.95Å; Y585-Y659 AromaticContact CD2-CG 3.9Å; Y585-Y659 HydrophobicContact CD2-CG 3.9Å; Y585-Y659 AromaticContact CD2-CZ 3.55Å; Y585-Y659 HydrophobicContact CE2-CD1 4.12Å; Y585-Y659 HydrophobicContact CE2-CD2 4.25Å; Y585-Y659 AromaticContact CE2-CE1 3.51Å; Y585-Y659 HydrophobicContact CE2-CE1 3.51Å; Y585-Y659 AromaticContact CE2-CE2 3.65Å; Y585-Y659 HydrophobicContact CE2-CE2 3.65Å; Y585-Y659 HydrophobicContact CE2-CG 4.45Å; Y585-Y659 AromaticContact CE2-CZ 3.23Å; Y585-Y659 WeakPolarHBondContact CE2-OH 3.48Å; Y585-Y659 HydrophobicContact CG-CD1 4.31Å; Y585-Y659 HydrophobicContact CG-CE1 4.17Å; Y585-F721 HydrophobicContact CD1-CD2 4.16Å; Y585-F721 HydrophobicContact CD1-CE1 4.06Å; Y585-F721 AromaticContact CD1-CE2 3.67Å; Y585-F721 HydrophobicContact CD1-CE2 3.67Å; Y585-F721 AromaticContact CD1-CZ 3.6Å; Y585-F721 HydrophobicContact CD1-CZ 3.6Å; Y585-F721 AromaticContact CE1-CD1 3.83Å; Y585-F721 HydrophobicContact CE1-CD1 3.83Å; Y585-F721 AromaticContact CE1-CD2 3.8Å; Y585-F721 HydrophobicContact CE1-CD2 3.8Å; Y585-F721 AromaticContact CE1-CE1 3.79Å; Y585-F721 HydrophobicContact CE1-CE1 3.79Å; Y585-F721 AromaticContact CE1-CE2 3.77Å; Y585-F721 HydrophobicContact CE1-CE2 3.77Å; Y585-F721 AromaticContact CE1-CG 3.83Å; Y585-F721 HydrophobicContact CE1-CG 3.83Å; Y585-F721 AromaticContact CE1-CZ 3.75Å; Y585-F721 HydrophobicContact CE1-CZ 3.75Å; Y585-F723 PolarHBondContact OH-O 3.06Å; Y585-P725 HydrophobicContact CD1-CG 3.47Å; Y585-P725 VanDerWaalsContact CD1-CG 3.47Å; Y585-P725 HydrophobicContact CD2-CG 4.03Å; Y585-P725 HydrophobicContact CE1-CG 3.62Å; Y585-P725 HydrophobicContact CE2-CG 4.15Å; Y585-P725 HydrophobicContact CG-CG 3.66Å; Y585-V736 PolarHBondContact N-O 3.33Å; Y585-A737 CarbonylContact O-C 3.58Å; Y585-A737 WeakPolarHBondContact O-CA 3.35Å; Y585-V738 PolarHBondContact O-N 3.45Å
586	Y	96.2	Very high	90.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.2	166.1	76	-91	0	0	0	111.4	A588 G599 W600 C658 P703 A704 V714 V738	Y586-A588 HydrophobicContact CE2-CB 4.45Å; Y586-G599 PolarHBondContact OH-N 2.82Å; Y586-G599 PolarHBondContact OH-O 3.15Å; Y586-W600 AromaticContact CD1-CH2 3.8Å; Y586-W600 HydrophobicContact CD1-CH2 3.8Å; Y586-W600 AromaticContact CD1-CZ2 3.69Å; Y586-W600 HydrophobicContact CD1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CD2 4.34Å; Y586-W600 AromaticContact CE1-CE2 3.88Å; Y586-W600 AromaticContact CE1-CH2 4Å; Y586-W600 HydrophobicContact CE1-CH2 4Å; Y586-W600 AromaticContact CE1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CZ3 4.42Å; Y586-C658 HydrophobicContact CD1-CB 3.78Å; Y586-C658 HydrophobicContact CD2-CB 4.33Å; Y586-C658 HydrophobicContact CE1-CB 3.34Å; Y586-C658 HydrophobicContact CE2-CB 3.95Å; Y586-C658 HydrophobicContact CG-CB 4.26Å; Y586-C658 VanDerWaalsContact CZ-CB 3.44Å; Y586-C658 PolarHBondContact N-O 2.73Å; Y586-C658 VanDerWaalsContact N-O 3.12Å; Y586-C658 PolarHBondContact O-N 3.48Å; Y586-P703 HydrophobicContact CD1-CB 3.98Å; Y586-P703 HydrophobicContact CD1-CG 4.02Å; Y586-P703 HydrophobicContact CE1-CB 3.57Å; Y586-P703 HydrophobicContact CE1-CG 3.98Å; Y586-A704 PolarHBondContact OH-O 2.75Å; Y586-V714 HydrophobicContact CD2-CG1 3.59Å; Y586-V714 HydrophobicContact CE2-CG1 3.79Å; Y586-V738 HydrophobicContact CD1-CG1 4.48Å
587	E	95.7	Very high	90.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.1	174.7	-76.7	-172.9	153.3	0	0	112	Y585 V655 V714 N715 F721 N722 F723	Y585-E587 HydrophobicContact CE1-CG 4.07Å; Y585-E587 WeakPolarHBondContact OH-CG 3.29Å; Y585-E587 PolarHBondContact OH-OE1 3.02Å; E587-V655 HydrophobicContact CB-CG1 4.03Å; E587-V655 HydrophobicContact CG-CG1 3.97Å; E587-V714 CarbonylContact O-C 3.58Å; E587-V714 WeakPolarHBondContact O-CA 3.43Å; E587-V714 WeakPolarHBondContact O-CG1 3.34Å; E587-N715 HydrophobicContact CB-CB 4.34Å; E587-N715 PolarHBondContact N-O 3.02Å; E587-N715 PolarHBondContact O-N 3.11Å; E587-F721 HydrophobicContact CB-CD1 4.06Å; E587-F721 HydrophobicContact CB-CE1 4.41Å; E587-F721 HydrophobicContact CG-CB 4.45Å; E587-F721 HydrophobicContact CG-CD1 3.6Å; E587-F721 HydrophobicContact CG-CE1 4.22Å; E587-F721 HydrophobicContact CG-CG 4.36Å; E587-F721 WeakPolarHBondContact OE2-CA 3.14Å; E587-N722 PolarHBondContact OE1-N 2.88Å; E587-N722 VanDerWaalsContact OE1-N 3.16Å; E587-N722 PolarHBondContact OE2-N 3.4Å; E587-N722 PolarHBondContact OE2-ND2 2.85Å; E587-F723 WeakPolarHBondContact OE1-CA 3.11Å; E587-F723 PolarHBondContact OE1-N 3.21Å
588	A	96.5	Very high	90.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129	167.2	0	0	0	0	0	110.8	Y586 L598 V655 V656 V712 E713 V714	Y586-A588 HydrophobicContact CE2-CB 4.45Å; A588-L598 HydrophobicContact CB-CD1 3.8Å; A588-L598 HydrophobicContact CB-CD2 3.84Å; A588-L598 HydrophobicContact CB-CG 4.38Å; A588-V655 WeakPolarHBondContact O-CA 3.4Å; A588-V656 PolarHBondContact N-O 3.33Å; A588-V656 PolarHBondContact O-N 2.76Å; A588-V712 HydrophobicContact CB-CG1 3.8Å; A588-E713 CarbonylContact C-O 2.92Å; A588-E713 WeakPolarHBondContact CA-O 3.46Å; A588-V714 HydrophobicContact CB-CG2 4.25Å
589	C	95.3	Very high	90.9	Very high	30 Å²	30	25.6 Å²	25.6	20%	0.203	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.1	-177.8	-175.6	0	0	0	0	110.4	D654 V655 V712 E713	C589-D654 WeakPolarHBondContact CA-O 3.35Å; C589-V655 HydrophobicContact CB-CG2 4.15Å; C589-V712 CarbonylContact O-C 3.57Å; C589-V712 VanDerWaalsContact O-CA 3.27Å; C589-V712 WeakPolarHBondContact O-CA 3.49Å; C589-E713 PolarHBondContact N-O 3.12Å; C589-E713 PolarHBondContact O-N 3.49Å
590	M	94.1	Very high	91.3	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.02	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125	177.2	-172	70.4	158.5	0	0	110.3	E592 V596 I650 V651 P652 G653 D654 A710 V712	M590-E592 WeakPolarHBondContact CE-O 3.15Å; M590-V596 HydrophobicContact CE-CB 4.12Å; M590-V596 HydrophobicContact CE-CG1 3.69Å; M590-V596 HydrophobicContact SD-CB 4.1Å; M590-V596 HydrophobicContact SD-CG1 3.88Å; M590-V596 HydrophobicContact SD-CG2 4.4Å; M590-I650 HydrophobicContact CB-CG2 3.8Å; M590-I650 HydrophobicContact CG-CG2 4.03Å; M590-I650 HydrophobicContact SD-CG2 4.34Å; M590-V651 WeakPolarHBondContact CB-O 3.48Å; M590-P652 HydrophobicContact CG-CG 4.47Å; M590-P652 WeakPolarHBondContact O-CA 3.38Å; M590-G653 PolarHBondContact O-N 3.02Å; M590-D654 PolarHBondContact N-O 2.86Å; M590-A710 HydrophobicContact CE-CB 3.87Å; M590-A710 HydrophobicContact SD-CB 4.44Å; M590-V712 HydrophobicContact SD-CG2 3.89Å
591	L	93	Very high	92.1	Very high	65 Å²	65	22 Å²	22	34%	0.34	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-38.6	-175.6	-61.7	-173.4	0	0	0	113.7	R711 E713	L591-R711 HydrophobicContact CB-CB 4.23Å; L591-R711 HydrophobicContact CB-CG 4.07Å; L591-R711 HydrophobicContact CD1-CG 4.12Å; L591-R711 PolarHBondContact N-O 3.47Å; L591-E713 HydrophobicContact CD1-CB 4.04Å; L591-E713 HydrophobicContact CD2-CB 4.5Å; L591-E713 HydrophobicContact CG-CB 4.4Å
592	E	90.9	Very high	92.5	Very high	90 Å²	90	18.2 Å²	18.2	42%	0.421	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.1	-175	-61.4	173.4	-161.9	0	0	110.2	M590 R711	M590-E592 WeakPolarHBondContact CE-O 3.15Å; E592-R711 HydrophobicContact CB-CB 3.81Å; E592-R711 VanDerWaalsContact CD-CD 3.43Å; E592-R711 HydrophobicContact CG-CB 3.95Å; E592-R711 PolarHBondContact N-O 2.92Å; E592-R711 WeakPolarHBondContact OE1-CD 3.39Å; E592-R711 IonicContact OE1-CZ 3.52Å; E592-R711 IonicContact OE1-NE 2.77Å; E592-R711 IonicContact OE1-NH1 2.85Å; E592-R711 PolarHBondContact OE1-NH1 3.19Å
593	E	84.9	Confident	92.6	Very high	134 Å²	134	19.1 Å²	19.1	63%	0.626	10%	0.096	S	C	*	.	S	Bend	trans	-62.4	143	-173.3	-64.2	-174.1	149.1	0	0	112.9	P652 N709	E593-P652 HydrophobicContact CB-CG 4.32Å; E593-P652 HydrophobicContact CG-CG 3.47Å; E593-P652 VanDerWaalsContact CG-CG 3.47Å; E593-N709 VanDerWaalsContact O-O 3.13Å
594	G	87.4	Confident	92.4	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	155.7	-158.4	174.7	0	0	0	0	0	112.3
595	Q	91.5	Very high	92.2	Very high	29 Å²	29	22.7 Å²	22.7	14%	0.136	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	-178.1	-42.9	-178.1	1.1	0	0	110.3	W569 A620 L707 K708	W569-Q595 HydrophobicContact CH2-CB 3.69Å; W569-Q595 HydrophobicContact CZ2-CB 3.6Å; Q595-A620 HydrophobicContact CB-CB 4.14Å; Q595-L707 CarbonylContact O-C 3.6Å; Q595-L707 WeakPolarHBondContact O-CA 3.34Å; Q595-K708 HydrophobicContact CB-CB 4.19Å; Q595-K708 PolarHBondContact N-O 3.38Å; Q595-K708 PolarHBondContact O-N 3.45Å
596	V	93.5	Very high	92.1	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.5	-171.7	52	0	0	0	0	110.5	M590 L598 G619 A620 I650 S706 L707 V712	M590-V596 HydrophobicContact CE-CB 4.12Å; M590-V596 HydrophobicContact CE-CG1 3.69Å; M590-V596 HydrophobicContact SD-CB 4.1Å; M590-V596 HydrophobicContact SD-CG1 3.88Å; M590-V596 HydrophobicContact SD-CG2 4.4Å; V596-L598 HydrophobicContact CG2-CD1 4.19Å; V596-L598 HydrophobicContact CG2-CD2 4.01Å; V596-L598 HydrophobicContact CG2-CG 3.79Å; V596-G619 WeakPolarHBondContact O-CA 3.1Å; V596-A620 PolarHBondContact O-N 2.86Å; V596-I650 HydrophobicContact CG1-CB 3.91Å; V596-I650 HydrophobicContact CG1-CD1 4.01Å; V596-I650 HydrophobicContact CG1-CG2 4.03Å; V596-S706 CarbonylContact C-O 3.26Å; V596-S706 WeakPolarHBondContact CA-O 3.49Å; V596-L707 HydrophobicContact CB-CD2 4.01Å; V596-L707 HydrophobicContact CG2-CD2 3.75Å; V596-V712 HydrophobicContact CG2-CG2 4.01Å
597	R	94.7	Very high	91.8	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.7	162.9	-65.4	179.4	-165.7	145.2	22.6	109.5	W569 L609 Y618 A620 D621 I638 V705 S706	W569-R597 HydrophobicContact CH2-CG 3.84Å; W569-R597 HydrophobicContact CZ3-CB 4.34Å; W569-R597 HydrophobicContact CZ3-CG 3.77Å; R597-L609 HydrophobicContact CB-CB 4Å; R597-L609 HydrophobicContact CB-CD1 4.3Å; R597-L609 WeakPolarHBondContact CD-O 2.96Å; R597-L609 PolarHBondContact NH1-O 3.12Å; R597-Y618 WeakPolarHBondContact CA-O 3.34Å; R597-A620 PolarHBondContact NE-O 3.28Å; R597-A620 PolarHBondContact NH2-O 3.48Å; R597-D621 PolarHBondContact NH2-O 3.28Å; R597-I638 HydrophobicContact CG-CD1 4.09Å; R597-V705 WeakPolarHBondContact O-CA 3.49Å; R597-S706 PolarHBondContact N-O 3.5Å; R597-S706 PolarHBondContact O-N 3.13Å
598	L	95.4	Very high	91.6	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.5	-179.4	-58.8	167.9	0	0	0	109.3	A588 V596 G617 Y618 I650 V656 Y677 V705 V712	A588-L598 HydrophobicContact CB-CD1 3.8Å; A588-L598 HydrophobicContact CB-CD2 3.84Å; A588-L598 HydrophobicContact CB-CG 4.38Å; V596-L598 HydrophobicContact CG2-CD1 4.19Å; V596-L598 HydrophobicContact CG2-CD2 4.01Å; V596-L598 HydrophobicContact CG2-CG 3.79Å; L598-G617 CarbonylContact O-C 3.58Å; L598-G617 WeakPolarHBondContact O-CA 3.33Å; L598-Y618 PolarHBondContact N-O 2.92Å; L598-Y618 PolarHBondContact O-N 3.23Å; L598-I650 HydrophobicContact CD1-CD1 4.3Å; L598-V656 HydrophobicContact CD1-CB 3.71Å; L598-V656 HydrophobicContact CD1-CG1 4.03Å; L598-V656 HydrophobicContact CD1-CG2 4.01Å; L598-Y677 WeakPolarHBondContact O-CE1 3.4Å; L598-V705 HydrophobicContact CD2-CB 4.33Å; L598-V705 HydrophobicContact CD2-CG1 3.87Å; L598-V705 HydrophobicContact CD2-CG2 3.82Å; L598-V712 HydrophobicContact CD2-CG1 4.15Å
599	G	94.5	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-137.1	174.2	0	0	0	0	0	113.9	Y586 F616 A704	Y586-G599 PolarHBondContact OH-N 2.82Å; Y586-G599 PolarHBondContact OH-O 3.15Å; G599-F616 WeakPolarHBondContact CA-O 3.15Å; G599-A704 PolarHBondContact N-O 2.9Å; G599-A704 VanDerWaalsContact N-O 3.11Å; G599-A704 PolarHBondContact O-N 3.26Å
600	W	94.4	Very high	91.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.9	-165	-56.4	92.5	0	0	0	111.4	L578 Y586 F616 Y659 L660 I675 L701 F702 P703 V738	L578-W600 HydrophobicContact CD1-CH2 4.27Å; L578-W600 HydrophobicContact CD1-CZ3 4.07Å; Y586-W600 AromaticContact CD1-CH2 3.8Å; Y586-W600 HydrophobicContact CD1-CH2 3.8Å; Y586-W600 AromaticContact CD1-CZ2 3.69Å; Y586-W600 HydrophobicContact CD1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CD2 4.34Å; Y586-W600 AromaticContact CE1-CE2 3.88Å; Y586-W600 AromaticContact CE1-CH2 4Å; Y586-W600 HydrophobicContact CE1-CH2 4Å; Y586-W600 AromaticContact CE1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CZ2 3.69Å; Y586-W600 HydrophobicContact CE1-CZ3 4.42Å; W600-F616 PolarHBondContact N-O 2.83Å; W600-F616 PolarHBondContact O-N 3.15Å; W600-Y659 PolarHBondContact NE1-O 3.33Å; W600-L660 HydrophobicContact CD2-CB 4.01Å; W600-L660 HydrophobicContact CD2-CD2 3.93Å; W600-L660 HydrophobicContact CD2-CG 4.49Å; W600-L660 VanDerWaalsContact CE2-CB 3.5Å; W600-L660 HydrophobicContact CE3-CB 4.36Å; W600-L660 HydrophobicContact CE3-CD2 3.57Å; W600-L660 HydrophobicContact CH2-CB 3.79Å; W600-L660 HydrophobicContact CH2-CD2 3.92Å; W600-L660 HydrophobicContact CZ2-CB 3.4Å; W600-L660 VanDerWaalsContact CZ2-CB 3.4Å; W600-L660 HydrophobicContact CZ2-CD2 4.28Å; W600-L660 HydrophobicContact CZ2-CG 4.48Å; W600-L660 HydrophobicContact CZ3-CB 4.24Å; W600-L660 HydrophobicContact CZ3-CD2 3.55Å; W600-I675 HydrophobicContact CB-CD1 4.32Å; W600-L701 HydrophobicContact CB-CB 4.5Å; W600-L701 HydrophobicContact CB-CD2 4.42Å; W600-L701 HydrophobicContact CE3-CB 4.42Å; W600-F702 WeakPolarHBondContact CA-O 3.41Å; W600-P703 HydrophobicContact CE3-CG 4.08Å; W600-P703 HydrophobicContact CH2-CG 4.12Å; W600-P703 HydrophobicContact CZ3-CG 3.56Å; W600-V738 HydrophobicContact CH2-CG1 3.81Å; W600-V738 HydrophobicContact CZ3-CG1 4.41Å
601	S	93.3	Very high	90.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.9	176.6	59.9	0	0	0	0	112.9	R573 K614 F702 A704	R573-S601 WeakPolarHBondContact CD-OG 3.41Å; R573-S601 WeakPolarHBondContact CG-OG 3.44Å; S601-K614 WeakPolarHBondContact CA-O 3.11Å; S601-F702 PolarHBondContact N-O 2.94Å; S601-F702 PolarHBondContact O-N 2.88Å; S601-A704 WeakPolarHBondContact OG-CB 3.47Å
602	T	90.7	Very high	90.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-85.9	162.1	172.2	78.8	0	0	0	0	111.1	R573 D604 A605 K614 L695 I699 L701	R573-T602 PolarHBondContact NH1-O 2.92Å; T602-D604 PolarHBondContact O-N 3.43Å; T602-D604 PolarHBondContact OG1-N 3.4Å; T602-A605 VanDerWaalsContact O-CB 3.24Å; T602-A605 WeakPolarHBondContact O-CB 3.4Å; T602-A605 PolarHBondContact O-N 3.28Å; T602-A605 PolarHBondContact OG1-N 3.39Å; T602-K614 HydrophobicContact CG2-CB 4.21Å; T602-K614 PolarHBondContact N-O 3.45Å; T602-L695 HydrophobicContact CG2-CD2 3.78Å; T602-I699 HydrophobicContact CG2-CG2 3.42Å; T602-I699 VanDerWaalsContact CG2-CG2 3.42Å; T602-L701 HydrophobicContact CG2-CD2 3.86Å
603	N	87.2	Confident	90.3	Very high	27 Å²	27	26.6 Å²	26.6	14%	0.144	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	171.7	-72.1	-19	0	0	0	114	R573 A605 F702 N749 R750	R573-N603 PolarHBondContact NH1-O 2.85Å; N603-A605 VanDerWaalsContact C-N 3.34Å; N603-F702 HydrophobicContact CB-CE2 4.49Å; N603-F702 VanDerWaalsContact CG-CE2 3.42Å; N603-F702 WeakPolarHBondContact ND2-CE2 3.37Å; N603-F702 WeakPolarHBondContact ND2-CZ 3.47Å; N603-F702 WeakPolarHBondContact OD1-CD2 3.06Å; N603-F702 WeakPolarHBondContact OD1-CE2 3.49Å; N603-F702 WeakPolarHBondContact OD1-CZ 3.27Å; N603-N749 PolarHBondContact OD1-OD1 2.74Å; N603-R750 PolarHBondContact ND2-N 2.98Å
604	D	86.2	Confident	90.4	Very high	70 Å²	70	23 Å²	23	37%	0.374	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.5	176	-56.2	-9.1	0	0	0	112.8	T602 K614 R750	T602-D604 PolarHBondContact O-N 3.43Å; T602-D604 PolarHBondContact OG1-N 3.4Å; D604-K614 HydrophobicContact CB-CD 3.71Å; D604-K614 IonicContact OD2-NZ 2.66Å; D604-K614 PolarHBondContact OD2-NZ 3.47Å; D604-R750 IonicContact OD1-CZ 3.79Å; D604-R750 IonicContact OD1-NH1 3.65Å; D604-R750 PolarHBondContact OD1-NH1 2.82Å; D604-R750 IonicContact OD1-NH2 3.66Å
605	A	88.4	Confident	90.5	Very high	10 Å²	10	23 Å²	23	8%	0.083	13%	0.131	C	C	.	.	S	Bend	trans	-84.7	157.4	-177.8	0	0	0	0	0	111.9	R573 T602 N603 D612 K614	R573-A605 PolarHBondContact NH1-O 3.15Å; T602-A605 VanDerWaalsContact O-CB 3.24Å; T602-A605 WeakPolarHBondContact O-CB 3.4Å; T602-A605 PolarHBondContact O-N 3.28Å; T602-A605 PolarHBondContact OG1-N 3.39Å; N603-A605 VanDerWaalsContact C-N 3.34Å; A605-D612 WeakPolarHBondContact CA-OD2 3.29Å; A605-K614 HydrophobicContact CB-CB 3.76Å
606	S	89.9	Confident	90.6	Very high	42 Å²	42	21.7 Å²	21.7	29%	0.294	13%	0.125	S	C	.	.			trans	-56.7	135.6	160.2	176.5	0	0	0	0	110.8	I608 T611 D612	S606-I608 PolarHBondContact O-N 2.79Å; S606-I608 PolarHBondContact OG-N 2.96Å; S606-T611 WeakPolarHBondContact CB-OG1 3.36Å; S606-T611 PolarHBondContact OG-OG1 3.24Å; S606-D612 WeakPolarHBondContact CB-OD2 3.37Å; S606-D612 PolarHBondContact N-OD2 2.84Å
607	L	90.5	Very high	90.5	Very high	38 Å²	38	21.6 Å²	21.6	20%	0.199	12%	0.124	C	C	.	.	S	Bend	trans	-64.8	-15.9	172.7	-65.6	176.8	0	0	0	112.6	D547 T549 G571 R573 L609 S706	D547-L607 VanDerWaalsContact O-CD1 3.31Å; D547-L607 WeakPolarHBondContact O-CD1 3.27Å; D547-L607 VanDerWaalsContact O-CD2 3.26Å; D547-L607 WeakPolarHBondContact O-CD2 3.2Å; T549-L607 HydrophobicContact CG2-CB 4.22Å; T549-L607 HydrophobicContact CG2-CD1 3.69Å; G571-L607 WeakPolarHBondContact CA-O 3.48Å; R573-L607 HydrophobicContact CG-CD2 4.01Å; L607-L609 PolarHBondContact O-N 3.22Å; L607-S706 PolarHBondContact O-OG 2.82Å
608	I	92.1	Very high	90.5	Very high	35 Å²	35	21.3 Å²	21.3	18%	0.179	12%	0.123	C	C	.	.	S	Bend	trans	-89.8	96.3	174.6	-46	-48.1	0	0	0	108.2	W569 S606 G610 T611	W569-I608 HydrophobicContact CB-CD1 4.1Å; W569-I608 HydrophobicContact CB-CG2 3.85Å; W569-I608 HydrophobicContact CG-CG2 4.24Å; W569-I608 WeakPolarHBondContact O-CD1 2.92Å; S606-I608 PolarHBondContact O-N 2.79Å; S606-I608 PolarHBondContact OG-N 2.96Å; I608-G610 PolarHBondContact O-N 3.43Å; I608-T611 HydrophobicContact CB-CG2 3.99Å; I608-T611 HydrophobicContact CG2-CG2 3.76Å; I608-T611 WeakPolarHBondContact O-CB 3.46Å; I608-T611 WeakPolarHBondContact O-CG2 3.49Å; I608-T611 PolarHBondContact O-N 3.19Å; I608-T611 PolarHBondContact O-OG1 3.4Å
609	L	92.3	Very high	90.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	138.4	-170.4	-81	176.1	0	0	0	112.9	R597 L607 T611 A704 S706	R597-L609 HydrophobicContact CB-CB 4Å; R597-L609 HydrophobicContact CB-CD1 4.3Å; R597-L609 WeakPolarHBondContact CD-O 2.96Å; R597-L609 PolarHBondContact NH1-O 3.12Å; L607-L609 PolarHBondContact O-N 3.22Å; L609-T611 VanDerWaalsContact C-N 3.26Å; L609-T611 PolarHBondContact O-N 2.83Å; L609-A704 HydrophobicContact CD1-CB 3.99Å; L609-A704 HydrophobicContact CD2-CB 3.87Å; L609-A704 HydrophobicContact CG-CB 4.23Å; L609-S706 WeakPolarHBondContact CB-OG 3.24Å; L609-S706 PolarHBondContact N-OG 3.18Å
610	G	88.4	Confident	90.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-2.7	179.4	0	0	0	0	0	115.7	I608 D612 G615 I638 Y639 A640 N641	I608-G610 PolarHBondContact O-N 3.43Å; G610-D612 VanDerWaalsContact C-N 3.3Å; G610-D612 PolarHBondContact O-N 2.9Å; G610-G615 WeakPolarHBondContact CA-O 3.37Å; G610-G615 PolarHBondContact N-O 3.5Å; G610-I638 WeakPolarHBondContact CA-O 3.47Å; G610-Y639 CarbonylContact O-C 3.58Å; G610-Y639 VanDerWaalsContact O-C 3.26Å; G610-Y639 WeakPolarHBondContact O-CA 3.48Å; G610-A640 PolarHBondContact O-N 2.83Å; G610-N641 PolarHBondContact O-N 3.31Å
611	T	88.8	Confident	89.7	Confident	38 Å²	38	22 Å²	22	23%	0.233	13%	0.127	C	C	.	.	S	Bend	trans	-76.5	-13.8	179.8	56.6	0	0	0	0	114.2	S606 I608 L609 N641	S606-T611 WeakPolarHBondContact CB-OG1 3.36Å; S606-T611 PolarHBondContact OG-OG1 3.24Å; I608-T611 HydrophobicContact CB-CG2 3.99Å; I608-T611 HydrophobicContact CG2-CG2 3.76Å; I608-T611 WeakPolarHBondContact O-CB 3.46Å; I608-T611 WeakPolarHBondContact O-CG2 3.49Å; I608-T611 PolarHBondContact O-N 3.19Å; I608-T611 PolarHBondContact O-OG1 3.4Å; L609-T611 VanDerWaalsContact C-N 3.26Å; L609-T611 PolarHBondContact O-N 2.83Å; T611-N641 PolarHBondContact O-ND2 2.87Å
612	D	87.2	Confident	89.1	Confident	40 Å²	40	29.1 Å²	29.1	21%	0.214	16%	0.158	C	C	.	.	S	Bend	trans	-134.1	179.4	173.1	66.5	34.1	0	0	0	111.9	A605 S606 G610 K614 G615 A640	A605-D612 WeakPolarHBondContact CA-OD2 3.29Å; S606-D612 WeakPolarHBondContact CB-OD2 3.37Å; S606-D612 PolarHBondContact N-OD2 2.84Å; G610-D612 VanDerWaalsContact C-N 3.3Å; G610-D612 PolarHBondContact O-N 2.9Å; D612-K614 PolarHBondContact O-N 3.11Å; D612-K614 WeakPolarHBondContact OD1-CA 3.46Å; D612-K614 WeakPolarHBondContact OD1-CB 3.37Å; D612-K614 PolarHBondContact OD1-N 2.75Å; D612-G615 PolarHBondContact OD1-N 3.28Å; D612-A640 VanDerWaalsContact C-CA 3.46Å; D612-A640 WeakPolarHBondContact O-CA 3.28Å; D612-A640 PolarHBondContact O-N 3.46Å
613	S	84.7	Confident	88.6	Confident	82 Å²	82	33 Å²	33	57%	0.573	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	5.9	179.8	53.2	0	0	0	0	114.8
614	K	87.3	Confident	88.2	Confident	58 Å²	58	31.7 Å²	31.7	25%	0.252	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-3.1	-176.9	-62.4	-170.7	179.5	179.9	0	113.7	S601 T602 D604 A605 D612	S601-K614 WeakPolarHBondContact CA-O 3.11Å; T602-K614 HydrophobicContact CG2-CB 4.21Å; T602-K614 PolarHBondContact N-O 3.45Å; D604-K614 HydrophobicContact CB-CD 3.71Å; D604-K614 IonicContact OD2-NZ 2.66Å; D604-K614 PolarHBondContact OD2-NZ 3.47Å; A605-K614 HydrophobicContact CB-CB 3.76Å; D612-K614 PolarHBondContact O-N 3.11Å; D612-K614 WeakPolarHBondContact OD1-CA 3.46Å; D612-K614 WeakPolarHBondContact OD1-CB 3.37Å; D612-K614 PolarHBondContact OD1-N 2.75Å
615	G	90.1	Very high	87.9	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.5	171.6	0	0	0	0	0	111.9	G610 D612	G610-G615 WeakPolarHBondContact CA-O 3.37Å; G610-G615 PolarHBondContact N-O 3.5Å; D612-G615 PolarHBondContact OD1-N 3.28Å
616	F	92.2	Very high	87.2	Confident	2 Å²	2	30 Å²	30	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.7	-176.5	-48.8	-83	0	0	0	108.5	G599 W600 F637 I675 Y677 F689 L691 L701	G599-F616 WeakPolarHBondContact CA-O 3.15Å; W600-F616 PolarHBondContact N-O 2.83Å; W600-F616 PolarHBondContact O-N 3.15Å; F616-F637 HydrophobicContact CB-CE2 4.22Å; F616-F637 HydrophobicContact CB-CZ 4.28Å; F616-F637 HydrophobicContact CD1-CZ 4.24Å; F616-I675 HydrophobicContact CB-CD1 4.05Å; F616-I675 HydrophobicContact CD2-CD1 3.56Å; F616-I675 HydrophobicContact CE2-CD1 4.18Å; F616-I675 HydrophobicContact CG-CD1 3.79Å; F616-Y677 PolarHBondContact O-OH 2.66Å; F616-F689 HydrophobicContact CD1-CE2 4.49Å; F616-F689 HydrophobicContact CE1-CD2 4.48Å; F616-F689 HydrophobicContact CE1-CE2 4.21Å; F616-L691 HydrophobicContact CE1-CD1 4.11Å; F616-L691 HydrophobicContact CE2-CD1 4.46Å; F616-L691 HydrophobicContact CZ-CD1 3.61Å; F616-L701 HydrophobicContact CE2-CD2 4.4Å
617	G	93.1	Very high	86.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.1	-177.1	0	0	0	0	0	113.6	L598 F637 I638	L598-G617 CarbonylContact O-C 3.58Å; L598-G617 WeakPolarHBondContact O-CA 3.33Å; G617-F637 WeakPolarHBondContact O-CA 3.31Å; G617-I638 PolarHBondContact N-O 2.9Å; G617-I638 VanDerWaalsContact N-O 3.1Å; G617-I638 WeakPolarHBondContact O-CD1 3.45Å; G617-I638 PolarHBondContact O-N 2.83Å
618	Y	94	Very high	85.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.8	170.7	167.6	-132.5	0	0	0	110.1	R597 L598 K636 Y646 M648 I650 V656 Y677 L684	R597-Y618 WeakPolarHBondContact CA-O 3.34Å; L598-Y618 PolarHBondContact N-O 2.92Å; L598-Y618 PolarHBondContact O-N 3.23Å; Y618-K636 WeakPolarHBondContact CA-O 3.27Å; Y618-Y646 AromaticContact CD2-CD1 3.6Å; Y618-Y646 HydrophobicContact CD2-CD1 3.6Å; Y618-Y646 HydrophobicContact CD2-CE1 4.09Å; Y618-Y646 AromaticContact CE2-CD1 3.85Å; Y618-Y646 HydrophobicContact CE2-CD1 3.85Å; Y618-Y646 HydrophobicContact CE2-CE1 4.35Å; Y618-Y646 WeakPolarHBondContact CE2-O 3.41Å; Y618-Y646 HydrophobicContact CG-CD1 4.28Å; Y618-Y646 HydrophobicContact CG-CE1 4.36Å; Y618-M648 PolarHBondContact OH-N 2.87Å; Y618-M648 PolarHBondContact OH-O 3.47Å; Y618-I650 HydrophobicContact CD1-CD1 4.44Å; Y618-I650 HydrophobicContact CE1-CD1 4.37Å; Y618-V656 HydrophobicContact CD1-CG1 3.71Å; Y618-V656 HydrophobicContact CD1-CG2 4.41Å; Y618-V656 HydrophobicContact CE1-CG1 3.94Å; Y618-V656 HydrophobicContact CE1-CG2 4.02Å; Y618-Y677 AromaticContact CD1-CD1 3.86Å; Y618-Y677 HydrophobicContact CD1-CD1 3.86Å; Y618-Y677 AromaticContact CD1-CG 3.84Å; Y618-Y677 HydrophobicContact CD1-CG 3.84Å; Y618-Y677 HydrophobicContact CG-CD1 4.21Å; Y618-Y677 HydrophobicContact CG-CD2 4.4Å; Y618-Y677 HydrophobicContact CG-CG 4.08Å; Y618-L684 HydrophobicContact CE1-CD1 4.02Å; Y618-L684 HydrophobicContact CE2-CD1 4.33Å
619	G	92.1	Very high	84.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.3	-123.4	178.3	0	0	0	0	0	112.5	V596 K636	V596-G619 WeakPolarHBondContact O-CA 3.1Å; G619-K636 PolarHBondContact N-O 3.14Å; G619-K636 WeakPolarHBondContact O-CA 3.2Å; G619-K636 WeakPolarHBondContact O-CB 3.49Å; G619-K636 PolarHBondContact O-N 2.83Å
620	A	89.4	Confident	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.			trans	-100.6	144.9	-176.6	0	0	0	0	0	113.3	W569 Q595 V596 R597	W569-A620 HydrophobicContact CH2-CB 4.4Å; Q595-A620 HydrophobicContact CB-CB 4.14Å; V596-A620 PolarHBondContact O-N 2.86Å; R597-A620 PolarHBondContact NE-O 3.28Å; R597-A620 PolarHBondContact NH2-O 3.48Å
621	D	85.6	Confident	82.8	Confident	16 Å²	16	38.8 Å²	38.8	9%	0.086	22%	0.219	C	C	.	.			trans	-78.2	-174.7	177.8	78.4	16	0	0	0	114.1	W569 R597 T623 G624 I625 K636 S643	W569-D621 WeakPolarHBondContact CZ2-O 3.44Å; R597-D621 PolarHBondContact NH2-O 3.28Å; D621-T623 PolarHBondContact O-N 3.2Å; D621-T623 VanDerWaalsContact OD1-CA 3.3Å; D621-T623 WeakPolarHBondContact OD1-CA 3.23Å; D621-T623 WeakPolarHBondContact OD1-CB 3.26Å; D621-T623 PolarHBondContact OD1-N 2.96Å; D621-T623 PolarHBondContact OD1-OG1 3.09Å; D621-T623 PolarHBondContact OD2-OG1 3.25Å; D621-G624 PolarHBondContact O-N 2.99Å; D621-G624 VanDerWaalsContact O-N 3.14Å; D621-G624 PolarHBondContact OD1-N 3.01Å; D621-I625 PolarHBondContact N-O 2.76Å; D621-I625 PolarHBondContact OD1-N 3.29Å; D621-I625 VanDerWaalsContact OD1-N 3.11Å; D621-K636 HydrophobicContact CB-CB 4.41Å; D621-K636 HydrophobicContact CB-CG 4.09Å; D621-S643 WeakPolarHBondContact CB-OG 3.41Å
622	K	80.4	Confident	81.9	Confident	151 Å²	151	39.6 Å²	39.6	66%	0.657	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.4	-179.5	69.8	-171.1	177.5	-169.7	0	114.7
623	T	81	Confident	81.4	Confident	82 Å²	82	42.8 Å²	42.8	50%	0.503	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.5	175.7	58.2	0	0	0	0	112.2	D621 I625 N630	D621-T623 PolarHBondContact O-N 3.2Å; D621-T623 VanDerWaalsContact OD1-CA 3.3Å; D621-T623 WeakPolarHBondContact OD1-CA 3.23Å; D621-T623 WeakPolarHBondContact OD1-CB 3.26Å; D621-T623 PolarHBondContact OD1-N 2.96Å; D621-T623 PolarHBondContact OD1-OG1 3.09Å; D621-T623 PolarHBondContact OD2-OG1 3.25Å; T623-I625 PolarHBondContact O-N 3.02Å; T623-I625 VanDerWaalsContact OG1-CD1 3.31Å; T623-I625 WeakPolarHBondContact OG1-CD1 3.44Å; T623-I625 WeakPolarHBondContact OG1-CG1 3.42Å; T623-N630 PolarHBondContact O-ND2 3.25Å; T623-N630 VanDerWaalsContact O-ND2 3.1Å
624	G	79.1	Confident	81.4	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	75.2	-1.3	-177.5	0	0	0	0	0	114.5	D621 G626 S627	D621-G624 PolarHBondContact O-N 2.99Å; D621-G624 VanDerWaalsContact O-N 3.14Å; D621-G624 PolarHBondContact OD1-N 3.01Å; G624-G626 PolarHBondContact O-N 3.11Å; G624-S627 VanDerWaalsContact O-CB 3.32Å; G624-S627 WeakPolarHBondContact O-CB 3.29Å; G624-S627 PolarHBondContact O-N 2.88Å; G624-S627 PolarHBondContact O-OG 2.87Å
625	I	79.7	Confident	81.3	Confident	44 Å²	44	38.2 Å²	38.2	23%	0.226	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-63.7	123.9	-179.8	-59.4	173.3	0	0	0	107.8	D621 T623 N630 H632 K636	D621-I625 PolarHBondContact N-O 2.76Å; D621-I625 PolarHBondContact OD1-N 3.29Å; D621-I625 VanDerWaalsContact OD1-N 3.11Å; T623-I625 PolarHBondContact O-N 3.02Å; T623-I625 VanDerWaalsContact OG1-CD1 3.31Å; T623-I625 WeakPolarHBondContact OG1-CD1 3.44Å; T623-I625 WeakPolarHBondContact OG1-CG1 3.42Å; I625-N630 VanDerWaalsContact CG1-ND2 3.32Å; I625-N630 WeakPolarHBondContact CG1-ND2 3.23Å; I625-H632 HydrophobicContact CG2-CB 3.51Å; I625-H632 WeakPolarHBondContact CG2-CD2 3.48Å; I625-K636 VanDerWaalsContact O-CG 3.27Å; I625-K636 WeakPolarHBondContact O-CG 3.24Å
626	G	74.1	Confident	81.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	5.5	-170.5	0	0	0	0	0	114.9	G624 P649	G624-G626 PolarHBondContact O-N 3.11Å; G626-P649 WeakPolarHBondContact O-CA 3.06Å; G626-P649 WeakPolarHBondContact O-CB 3.4Å
627	S	78.3	Confident	81.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	22%	0.218	C	C	.	.	S	Bend	trans	-95.7	173.9	162.8	66.8	0	0	0	0	111.6	G624 D629 N630	G624-S627 VanDerWaalsContact O-CB 3.32Å; G624-S627 WeakPolarHBondContact O-CB 3.29Å; G624-S627 PolarHBondContact O-N 2.88Å; G624-S627 PolarHBondContact O-OG 2.87Å; S627-D629 VanDerWaalsContact C-N 3.33Å; S627-D629 PolarHBondContact OG-N 2.82Å; S627-N630 CarbonylContact O-C 2.96Å
628	A	71	Confident	81.2	Confident	31 Å²	31	39.1 Å²	39.1	26%	0.256	22%	0.22	S	C	.	.	S	Bend	trans	-60.6	-39.8	169	0	0	0	0	0	112.6	N630 V651	A628-N630 VanDerWaalsContact C-N 3.28Å; A628-N630 PolarHBondContact O-N 2.95Å; A628-V651 HydrophobicContact CB-CG1 4.24Å
629	D	71.3	Confident	80.9	Confident	91 Å²	91	41.9 Å²	41.9	49%	0.487	23%	0.231	S	C	.	.	S	Bend	trans	-62.9	-33.3	-175.4	-44.7	-39.1	0	0	0	113.2	S627	S627-D629 VanDerWaalsContact C-N 3.33Å; S627-D629 PolarHBondContact OG-N 2.82Å
630	N	74.4	Confident	80.7	Confident	69 Å²	69	43.5 Å²	43.5	37%	0.369	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-129	74.6	-174.5	-168.2	-4.9	0	0	0	108.9	T623 I625 S627 A628 H632	T623-N630 PolarHBondContact O-ND2 3.25Å; T623-N630 VanDerWaalsContact O-ND2 3.1Å; I625-N630 VanDerWaalsContact CG1-ND2 3.32Å; I625-N630 WeakPolarHBondContact CG1-ND2 3.23Å; S627-N630 CarbonylContact O-C 2.96Å; A628-N630 VanDerWaalsContact C-N 3.28Å; A628-N630 PolarHBondContact O-N 2.95Å; N630-H632 PolarHBondContact O-N 3.37Å; N630-H632 VanDerWaalsContact O-N 3.09Å
631	P	64.2	Low	80.5	Confident	108 Å²	108	47.8 Å²	47.8	70%	0.701	27%	0.267	S	S	*	.			trans	-67.5	109.6	-164.7	25.2	-34.7	0	0	0	111.7
632	H	70.2	Confident	80.6	Confident	54 Å²	54	50.9 Å²	50.9	25%	0.25	28%	0.284	C	S	.	.			trans	-107.6	146.6	174.8	-165.1	-104.1	0	0	0	108.7	I625 N630 V634 K636 D645 P649	I625-H632 HydrophobicContact CG2-CB 3.51Å; I625-H632 WeakPolarHBondContact CG2-CD2 3.48Å; N630-H632 PolarHBondContact O-N 3.37Å; N630-H632 VanDerWaalsContact O-N 3.09Å; H632-V634 VanDerWaalsContact CE1-CG2 3.44Å; H632-V634 WeakPolarHBondContact CE1-CG2 3.33Å; H632-V634 VanDerWaalsContact ND1-CG2 3.34Å; H632-V634 WeakPolarHBondContact ND1-CG2 3.03Å; H632-V634 PolarHBondContact ND1-O 3.03Å; H632-V634 PolarHBondContact O-N 3.26Å; H632-V634 VanDerWaalsContact O-N 3.09Å; H632-K636 PolarHBondContact CE1-NZ 2.85Å; H632-K636 PolarHBondContact NE2-NZ 2.81Å; H632-D645 IonicContact CE1-OD1 3.69Å; H632-D645 IonicContact CE1-OD2 3.49Å; H632-P649 WeakPolarHBondContact O-CG 3.32Å
633	P	76.8	Confident	80.9	Confident	108 Å²	108	46.1 Å²	46.1	70%	0.701	27%	0.269	S	S	*	.	S	Bend	trans	-66.9	-11.2	-177.9	26.7	-36	0	0	0	114.5
634	V	84.5	Confident	81.3	Confident	44 Å²	44	45 Å²	45	27%	0.267	26%	0.26	S	S	.	.	S	Bend	trans	-140.2	150.4	178.3	-67.6	0	0	0	0	110.3	H632 D645 G647	H632-V634 VanDerWaalsContact CE1-CG2 3.44Å; H632-V634 WeakPolarHBondContact CE1-CG2 3.33Å; H632-V634 VanDerWaalsContact ND1-CG2 3.34Å; H632-V634 WeakPolarHBondContact ND1-CG2 3.03Å; H632-V634 PolarHBondContact ND1-O 3.03Å; H632-V634 PolarHBondContact O-N 3.26Å; H632-V634 VanDerWaalsContact O-N 3.09Å; V634-D645 HydrophobicContact CG2-CB 3.78Å; V634-G647 WeakPolarHBondContact CA-O 3.14Å; V634-G647 WeakPolarHBondContact CB-O 3.27Å
635	G	86.3	Confident	81.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.			trans	-71.9	-172.1	170.9	0	0	0	0	0	112.2	Y646 G647 M648	G635-Y646 CarbonylContact C-O 3.52Å; G635-Y646 WeakPolarHBondContact CA-O 3.2Å; G635-Y646 PolarHBondContact N-O 2.68Å; G635-Y646 PolarHBondContact O-N 2.97Å; G635-Y646 VanDerWaalsContact O-O 3.09Å; G635-G647 PolarHBondContact N-O 2.94Å; G635-M648 WeakPolarHBondContact CA-O 3.42Å; G635-M648 VanDerWaalsContact N-C 3.32Å
636	K	90.4	Very high	82.2	Confident	14 Å²	14	48.4 Å²	48.4	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	-179.2	-53.4	-69.1	177.6	171.9	0	111.5	Y618 G619 D621 I625 H632 I638 I644 D645 Y646	Y618-K636 WeakPolarHBondContact CA-O 3.27Å; G619-K636 PolarHBondContact N-O 3.14Å; G619-K636 WeakPolarHBondContact O-CA 3.2Å; G619-K636 WeakPolarHBondContact O-CB 3.49Å; G619-K636 PolarHBondContact O-N 2.83Å; D621-K636 HydrophobicContact CB-CB 4.41Å; D621-K636 HydrophobicContact CB-CG 4.09Å; I625-K636 VanDerWaalsContact O-CG 3.27Å; I625-K636 WeakPolarHBondContact O-CG 3.24Å; H632-K636 PolarHBondContact CE1-NZ 2.85Å; H632-K636 PolarHBondContact NE2-NZ 2.81Å; K636-I638 HydrophobicContact CB-CD1 4.03Å; K636-I638 HydrophobicContact CB-CG1 4.39Å; K636-I638 WeakPolarHBondContact O-CD1 3.4Å; K636-I644 CarbonylContact C-O 3.58Å; K636-I644 VanDerWaalsContact CA-O 3.32Å; K636-I644 WeakPolarHBondContact CA-O 3.25Å; K636-D645 IonicContact NZ-OD1 3.97Å; K636-D645 PolarHBondContact NZ-OD1 2.79Å; K636-Y646 PolarHBondContact N-O 2.99Å
637	F	91.3	Very high	82.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130	162	175	-102.1	0	0	0	108.7	F616 G617 Y639 S643 I644 Y646 Y677 P687 F689	F616-F637 HydrophobicContact CB-CE2 4.22Å; F616-F637 HydrophobicContact CB-CZ 4.28Å; F616-F637 HydrophobicContact CD1-CZ 4.24Å; G617-F637 WeakPolarHBondContact O-CA 3.31Å; F637-Y639 HydrophobicContact CD1-CD1 4.45Å; F637-Y639 AromaticContact CE1-CD1 3.87Å; F637-Y639 HydrophobicContact CE1-CD1 3.87Å; F637-Y639 HydrophobicContact CE1-CG 4.33Å; F637-S643 WeakPolarHBondContact O-CA 3.22Å; F637-I644 HydrophobicContact CD1-CD1 4.45Å; F637-I644 PolarHBondContact N-O 3.4Å; F637-I644 PolarHBondContact O-N 2.88Å; F637-Y646 HydrophobicContact CB-CD1 3.98Å; F637-Y646 HydrophobicContact CB-CG 3.82Å; F637-Y677 AromaticContact CD2-CE2 3.89Å; F637-Y677 HydrophobicContact CD2-CE2 3.89Å; F637-Y677 AromaticContact CE2-CE2 3.9Å; F637-Y677 HydrophobicContact CE2-CE2 3.9Å; F637-P687 HydrophobicContact CB-CB 4.35Å; F637-P687 HydrophobicContact CD1-CB 3.8Å; F637-P687 HydrophobicContact CD1-CG 4.31Å; F637-P687 HydrophobicContact CD2-CB 4.17Å; F637-P687 HydrophobicContact CD2-CG 3.96Å; F637-P687 HydrophobicContact CE1-CB 4.06Å; F637-P687 HydrophobicContact CE1-CG 4.24Å; F637-P687 HydrophobicContact CE2-CB 4.42Å; F637-P687 HydrophobicContact CE2-CG 3.89Å; F637-P687 HydrophobicContact CG-CB 3.84Å; F637-P687 HydrophobicContact CG-CG 4.16Å; F637-P687 HydrophobicContact CZ-CB 4.36Å; F637-P687 HydrophobicContact CZ-CG 4.03Å; F637-F689 HydrophobicContact CE1-CB 4.21Å; F637-F689 AromaticContact CE1-CD1 3.82Å; F637-F689 HydrophobicContact CE1-CD1 3.82Å; F637-F689 HydrophobicContact CE1-CG 4.16Å; F637-F689 AromaticContact CZ-CD1 3.76Å; F637-F689 HydrophobicContact CZ-CD1 3.76Å; F637-F689 HydrophobicContact CZ-CE1 4.02Å; F637-F689 HydrophobicContact CZ-CG 4.31Å
638	I	90.4	Very high	83.2	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.7	-172.8	-46.4	87.3	0	0	0	110	R597 G610 G617 K636 N642	R597-I638 HydrophobicContact CG-CD1 4.09Å; G610-I638 WeakPolarHBondContact CA-O 3.47Å; G617-I638 PolarHBondContact N-O 2.9Å; G617-I638 VanDerWaalsContact N-O 3.1Å; G617-I638 WeakPolarHBondContact O-CD1 3.45Å; G617-I638 PolarHBondContact O-N 2.83Å; K636-I638 HydrophobicContact CB-CD1 4.03Å; K636-I638 HydrophobicContact CB-CG1 4.39Å; K636-I638 WeakPolarHBondContact O-CD1 3.4Å; I638-N642 WeakPolarHBondContact CA-O 3.24Å
639	Y	89.2	Confident	84.1	Confident	58 Å²	58	52.8 Å²	52.8	23%	0.227	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143	168.8	93.4	-75.8	0	0	0	110.4	G610 F637 N641 N642 I644 F689	G610-Y639 CarbonylContact O-C 3.58Å; G610-Y639 VanDerWaalsContact O-C 3.26Å; G610-Y639 WeakPolarHBondContact O-CA 3.48Å; F637-Y639 HydrophobicContact CD1-CD1 4.45Å; F637-Y639 AromaticContact CE1-CD1 3.87Å; F637-Y639 HydrophobicContact CE1-CD1 3.87Å; F637-Y639 HydrophobicContact CE1-CG 4.33Å; Y639-N641 PolarHBondContact O-N 2.93Å; Y639-N642 HydrophobicContact CD1-CB 4.48Å; Y639-N642 HydrophobicContact CE1-CB 4.26Å; Y639-N642 PolarHBondContact N-O 3.04Å; Y639-N642 VanDerWaalsContact N-O 3.11Å; Y639-N642 WeakPolarHBondContact O-CA 3.34Å; Y639-N642 VanDerWaalsContact O-CB 3.31Å; Y639-N642 WeakPolarHBondContact O-CB 3.34Å; Y639-N642 PolarHBondContact O-N 2.86Å; Y639-N642 PolarHBondContact O-ND2 3.1Å; Y639-I644 HydrophobicContact CE1-CD1 4.31Å; Y639-F689 HydrophobicContact CD1-CB 4.35Å; Y639-F689 HydrophobicContact CE1-CB 4.05Å
640	A	86.3	Confident	84.9	Confident	34 Å²	34	48.5 Å²	48.5	28%	0.281	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	38.8	-179.3	0	0	0	0	0	114.9	G610 D612 N642	G610-A640 PolarHBondContact O-N 2.83Å; D612-A640 VanDerWaalsContact C-CA 3.46Å; D612-A640 WeakPolarHBondContact O-CA 3.28Å; D612-A640 PolarHBondContact O-N 3.46Å; A640-N642 PolarHBondContact O-N 3.33Å; A640-N642 VanDerWaalsContact O-N 3.09Å; A640-N642 PolarHBondContact O-ND2 3.02Å
641	N	85.4	Confident	85.6	Confident	91 Å²	91	47.9 Å²	47.9	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	3	-170.4	-75.1	-53.8	0	0	0	116.2	G610 T611 Y639	G610-N641 PolarHBondContact O-N 3.31Å; T611-N641 PolarHBondContact O-ND2 2.87Å; Y639-N641 PolarHBondContact O-N 2.93Å
642	N	87.7	Confident	86.8	Confident	81 Å²	81	45.1 Å²	45.1	43%	0.433	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.4	167.8	-54.2	-66.5	0	0	0	108.8	I638 Y639 A640	I638-N642 WeakPolarHBondContact CA-O 3.24Å; Y639-N642 HydrophobicContact CD1-CB 4.48Å; Y639-N642 HydrophobicContact CE1-CB 4.26Å; Y639-N642 PolarHBondContact N-O 3.04Å; Y639-N642 VanDerWaalsContact N-O 3.11Å; Y639-N642 WeakPolarHBondContact O-CA 3.34Å; Y639-N642 VanDerWaalsContact O-CB 3.31Å; Y639-N642 WeakPolarHBondContact O-CB 3.34Å; Y639-N642 PolarHBondContact O-N 2.86Å; Y639-N642 PolarHBondContact O-ND2 3.1Å; A640-N642 PolarHBondContact O-N 3.33Å; A640-N642 VanDerWaalsContact O-N 3.09Å; A640-N642 PolarHBondContact O-ND2 3.02Å
643	S	87.7	Confident	87.8	Confident	50 Å²	50	45.1 Å²	45.1	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	175.3	-175	0	0	0	0	108.6	D621 F637	D621-S643 WeakPolarHBondContact CB-OG 3.41Å; F637-S643 WeakPolarHBondContact O-CA 3.22Å
644	I	89.1	Confident	88.6	Confident	59 Å²	59	40.7 Å²	40.7	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.3	-176.5	-56	178	0	0	0	108.1	K636 F637 Y639 Y646	K636-I644 CarbonylContact C-O 3.58Å; K636-I644 VanDerWaalsContact CA-O 3.32Å; K636-I644 WeakPolarHBondContact CA-O 3.25Å; F637-I644 HydrophobicContact CD1-CD1 4.45Å; F637-I644 PolarHBondContact N-O 3.4Å; F637-I644 PolarHBondContact O-N 2.88Å; Y639-I644 HydrophobicContact CE1-CD1 4.31Å; I644-Y646 PolarHBondContact O-N 3Å
645	D	88.1	Confident	89	Confident	95 Å²	95	38.9 Å²	38.9	51%	0.508	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	120.5	174	-80.9	9.5	0	0	0	110.4	H632 V634 K636	H632-D645 IonicContact CE1-OD1 3.69Å; H632-D645 IonicContact CE1-OD2 3.49Å; V634-D645 HydrophobicContact CG2-CB 3.78Å; K636-D645 IonicContact NZ-OD1 3.97Å; K636-D645 PolarHBondContact NZ-OD1 2.79Å
646	Y	88.7	Confident	89.4	Confident	20 Å²	20	38.9 Å²	38.9	8%	0.078	23%	0.232	C	C	.	.			trans	-159.5	128.4	-168.5	-174.3	-100.4	0	0	0	111.8	Y618 G635 K636 F637 I644 Y677 L684 E685 P687	Y618-Y646 AromaticContact CD2-CD1 3.6Å; Y618-Y646 HydrophobicContact CD2-CD1 3.6Å; Y618-Y646 HydrophobicContact CD2-CE1 4.09Å; Y618-Y646 AromaticContact CE2-CD1 3.85Å; Y618-Y646 HydrophobicContact CE2-CD1 3.85Å; Y618-Y646 HydrophobicContact CE2-CE1 4.35Å; Y618-Y646 WeakPolarHBondContact CE2-O 3.41Å; Y618-Y646 HydrophobicContact CG-CD1 4.28Å; Y618-Y646 HydrophobicContact CG-CE1 4.36Å; G635-Y646 CarbonylContact C-O 3.52Å; G635-Y646 WeakPolarHBondContact CA-O 3.2Å; G635-Y646 PolarHBondContact N-O 2.68Å; G635-Y646 PolarHBondContact O-N 2.97Å; G635-Y646 VanDerWaalsContact O-O 3.09Å; K636-Y646 PolarHBondContact N-O 2.99Å; F637-Y646 HydrophobicContact CB-CD1 3.98Å; F637-Y646 HydrophobicContact CB-CG 3.82Å; I644-Y646 PolarHBondContact O-N 3Å; Y646-Y677 AromaticContact CE1-CD2 3.74Å; Y646-Y677 HydrophobicContact CE1-CD2 3.74Å; Y646-Y677 HydrophobicContact CE1-CG 4.32Å; Y646-L684 HydrophobicContact CD1-CD1 4.33Å; Y646-L684 HydrophobicContact CE1-CB 4.32Å; Y646-L684 HydrophobicContact CE1-CD1 3.71Å; Y646-L684 HydrophobicContact CE2-CB 4.49Å; Y646-L684 WeakPolarHBondContact OH-CB 3.34Å; Y646-E685 WeakPolarHBondContact CE2-O 3.31Å; Y646-E685 VanDerWaalsContact CZ-O 3.3Å; Y646-E685 PolarHBondContact OH-O 3.38Å; Y646-P687 HydrophobicContact CD2-CB 3.85Å; Y646-P687 HydrophobicContact CE2-CB 3.67Å; Y646-P687 HydrophobicContact CE2-CG 4.03Å
647	G	86.7	Confident	89.6	Confident	19 Å²	19	38.3 Å²	38.3	20%	0.196	23%	0.229	C	C	.	.	S	Bend	trans	60.9	-149.9	176.9	0	0	0	0	0	114.1	V634 G635	V634-G647 WeakPolarHBondContact CA-O 3.14Å; V634-G647 WeakPolarHBondContact CB-O 3.27Å; G635-G647 PolarHBondContact N-O 2.94Å
648	M	88.8	Confident	89.7	Confident	85 Å²	85	38.3 Å²	38.3	42%	0.419	23%	0.229	S	C	.	.			trans	-112.5	157.4	-177.4	-61.1	-56.9	-63.7	0	0	110.7	Y618 G635 Y679	Y618-M648 PolarHBondContact OH-N 2.87Å; Y618-M648 PolarHBondContact OH-O 3.47Å; G635-M648 WeakPolarHBondContact CA-O 3.42Å; G635-M648 VanDerWaalsContact N-C 3.32Å; M648-Y679 HydrophobicContact CB-CD1 4.03Å; M648-Y679 HydrophobicContact CB-CD2 4.23Å; M648-Y679 HydrophobicContact CB-CE1 3.75Å; M648-Y679 HydrophobicContact CB-CE2 3.97Å; M648-Y679 HydrophobicContact CB-CG 4.25Å; M648-Y679 HydrophobicContact CG-CD1 3.88Å; M648-Y679 HydrophobicContact CG-CE1 3.77Å; M648-Y679 HydrophobicContact CG-CG 4.45Å
649	P	88.2	Confident	89.9	Confident	21 Å²	21	38.2 Å²	38.2	14%	0.136	23%	0.229	C	C	.	.			trans	-58	145.1	163.5	-19.6	32.8	0	0	0	110.5	G626 H632	G626-P649 WeakPolarHBondContact O-CA 3.06Å; G626-P649 WeakPolarHBondContact O-CB 3.4Å; H632-P649 WeakPolarHBondContact O-CG 3.32Å
650	I	89.6	Confident	89.9	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	22%	0.218	C	C	.	.			trans	-95.7	122.6	178.3	-57.8	166.8	0	0	0	108.4	M590 V596 L598 Y618 D654 V656	M590-I650 HydrophobicContact CB-CG2 3.8Å; M590-I650 HydrophobicContact CG-CG2 4.03Å; M590-I650 HydrophobicContact SD-CG2 4.34Å; V596-I650 HydrophobicContact CG1-CB 3.91Å; V596-I650 HydrophobicContact CG1-CD1 4.01Å; V596-I650 HydrophobicContact CG1-CG2 4.03Å; L598-I650 HydrophobicContact CD1-CD1 4.3Å; Y618-I650 HydrophobicContact CD1-CD1 4.44Å; Y618-I650 HydrophobicContact CE1-CD1 4.37Å; I650-D654 HydrophobicContact CG2-CB 4.26Å; I650-V656 HydrophobicContact CD1-CG2 3.78Å; I650-V656 HydrophobicContact CG1-CG2 3.95Å; I650-V656 HydrophobicContact CG2-CG2 4.45Å
651	V	88.3	Confident	90	Very high	57 Å²	57	33.9 Å²	33.9	35%	0.345	21%	0.205	S	C	.	.			trans	-121.4	162	176.8	-58.1	0	0	0	0	111.2	M590 A628 G653 D654	M590-V651 WeakPolarHBondContact CB-O 3.48Å; A628-V651 HydrophobicContact CB-CG1 4.24Å; V651-G653 PolarHBondContact O-N 2.8Å; V651-D654 VanDerWaalsContact CG2-OD2 3.3Å; V651-D654 WeakPolarHBondContact CG2-OD2 3.4Å; V651-D654 PolarHBondContact N-OD2 2.74Å; V651-D654 VanDerWaalsContact O-CB 3.23Å; V651-D654 WeakPolarHBondContact O-CB 3.27Å; V651-D654 PolarHBondContact O-N 2.72Å
652	P	90.3	Very high	90	Very high	49 Å²	49	29.6 Å²	29.6	32%	0.318	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	136.3	-179	-26.6	35.7	0	0	0	113.5	M590 E593	M590-P652 HydrophobicContact CG-CG 4.47Å; M590-P652 WeakPolarHBondContact O-CA 3.38Å; E593-P652 HydrophobicContact CB-CG 4.32Å; E593-P652 HydrophobicContact CG-CG 3.47Å; E593-P652 VanDerWaalsContact CG-CG 3.47Å
653	G	89.7	Confident	89.6	Confident	55 Å²	55	26.3 Å²	26.3	57%	0.567	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-13.4	-171.3	0	0	0	0	0	114.5	M590 V651	M590-G653 PolarHBondContact O-N 3.02Å; V651-G653 PolarHBondContact O-N 2.8Å
654	D	93.1	Very high	88.9	Confident	14 Å²	14	28.3 Å²	28.3	8%	0.075	18%	0.176	C	C	.	.			trans	-73	138.1	173.1	-72.3	-28.7	0	0	0	111.9	C589 M590 I650 V651 Y679 N680	C589-D654 WeakPolarHBondContact CA-O 3.35Å; M590-D654 PolarHBondContact N-O 2.86Å; I650-D654 HydrophobicContact CG2-CB 4.26Å; V651-D654 VanDerWaalsContact CG2-OD2 3.3Å; V651-D654 WeakPolarHBondContact CG2-OD2 3.4Å; V651-D654 PolarHBondContact N-OD2 2.74Å; V651-D654 VanDerWaalsContact O-CB 3.23Å; V651-D654 WeakPolarHBondContact O-CB 3.27Å; V651-D654 PolarHBondContact O-N 2.72Å; D654-Y679 HydrophobicContact CB-CE2 3.93Å; D654-Y679 VanDerWaalsContact CG-CE2 3.45Å; D654-Y679 PolarHBondContact OD1-OH 3.46Å; D654-Y679 VanDerWaalsContact OD1-OH 3.11Å; D654-Y679 WeakPolarHBondContact OD2-CE2 3.46Å; D654-Y679 VanDerWaalsContact OD2-CZ 3.28Å; D654-Y679 PolarHBondContact OD2-OH 3.15Å; D654-N680 WeakPolarHBondContact CA-OD1 3.39Å; D654-N680 PolarHBondContact OD1-ND2 3.27Å
655	V	93.6	Very high	88	Confident	7 Å²	7	27.3 Å²	27.3	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.1	172	-174.9	0	0	0	0	109.8	E587 A588 C589 N680 N722 F723	E587-V655 HydrophobicContact CB-CG1 4.03Å; E587-V655 HydrophobicContact CG-CG1 3.97Å; A588-V655 WeakPolarHBondContact O-CA 3.4Å; C589-V655 HydrophobicContact CB-CG2 4.15Å; V655-N680 PolarHBondContact N-OD1 2.96Å; V655-N680 PolarHBondContact O-N 3.31Å; V655-N722 HydrophobicContact CG2-CB 4.32Å; V655-F723 HydrophobicContact CB-CD2 3.79Å; V655-F723 HydrophobicContact CB-CE2 3.79Å; V655-F723 HydrophobicContact CG1-CD2 4.06Å; V655-F723 HydrophobicContact CG2-CD2 4.23Å; V655-F723 HydrophobicContact CG2-CE2 3.9Å
656	V	94.9	Very high	86.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	173.3	174.7	0	0	0	0	109.5	A588 L598 Y618 I650 Y677 S678	A588-V656 PolarHBondContact N-O 3.33Å; A588-V656 PolarHBondContact O-N 2.76Å; L598-V656 HydrophobicContact CD1-CB 3.71Å; L598-V656 HydrophobicContact CD1-CG1 4.03Å; L598-V656 HydrophobicContact CD1-CG2 4.01Å; Y618-V656 HydrophobicContact CD1-CG1 3.71Å; Y618-V656 HydrophobicContact CD1-CG2 4.41Å; Y618-V656 HydrophobicContact CE1-CG1 3.94Å; Y618-V656 HydrophobicContact CE1-CG2 4.02Å; I650-V656 HydrophobicContact CD1-CG2 3.78Å; I650-V656 HydrophobicContact CG1-CG2 3.95Å; I650-V656 HydrophobicContact CG2-CG2 4.45Å; V656-Y677 HydrophobicContact CG1-CD1 4.28Å; V656-S678 CarbonylContact C-O 3.58Å; V656-S678 VanDerWaalsContact CA-O 3.29Å; V656-S678 WeakPolarHBondContact CA-O 3.49Å
657	G	94.4	Very high	85.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.1	168.1	0	0	0	0	0	110.5	Y659 Y677 S678	G657-Y659 WeakPolarHBondContact O-CE2 3.31Å; G657-Y677 CarbonylContact O-C 3.55Å; G657-Y677 VanDerWaalsContact O-CA 3.25Å; G657-Y677 WeakPolarHBondContact O-CA 3.42Å; G657-S678 WeakPolarHBondContact CA-OG 3.1Å; G657-S678 PolarHBondContact N-O 3.03Å; G657-S678 PolarHBondContact N-OG 3.32Å; G657-S678 PolarHBondContact O-N 3.34Å
658	C	94.7	Very high	84.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.8	178.5	-66.3	0	0	0	0	109.7	Y585 Y586	Y585-C658 WeakPolarHBondContact CA-O 3.36Å; Y585-C658 WeakPolarHBondContact CD2-O 3.47Å; Y586-C658 HydrophobicContact CD1-CB 3.78Å; Y586-C658 HydrophobicContact CD2-CB 4.33Å; Y586-C658 HydrophobicContact CE1-CB 3.34Å; Y586-C658 HydrophobicContact CE2-CB 3.95Å; Y586-C658 HydrophobicContact CG-CB 4.26Å; Y586-C658 VanDerWaalsContact CZ-CB 3.44Å; Y586-C658 PolarHBondContact N-O 2.73Å; Y586-C658 VanDerWaalsContact N-O 3.12Å; Y586-C658 PolarHBondContact O-N 3.48Å
659	Y	93	Very high	83.2	Confident	6 Å²	6	40.4 Å²	40.4	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.3	-173.3	-56.8	-102.8	0	0	0	110.8	Y584 Y585 W600 G657 H676 S678 L683 P725 W735	Y584-Y659 WeakPolarHBondContact O-CA 3.24Å; Y585-Y659 AromaticContact CD2-CD1 3.49Å; Y585-Y659 HydrophobicContact CD2-CD1 3.49Å; Y585-Y659 VanDerWaalsContact CD2-CD1 3.49Å; Y585-Y659 HydrophobicContact CD2-CD2 4.13Å; Y585-Y659 AromaticContact CD2-CE1 3.3Å; Y585-Y659 HydrophobicContact CD2-CE1 3.3Å; Y585-Y659 AromaticContact CD2-CE2 3.95Å; Y585-Y659 HydrophobicContact CD2-CE2 3.95Å; Y585-Y659 AromaticContact CD2-CG 3.9Å; Y585-Y659 HydrophobicContact CD2-CG 3.9Å; Y585-Y659 AromaticContact CD2-CZ 3.55Å; Y585-Y659 HydrophobicContact CE2-CD1 4.12Å; Y585-Y659 HydrophobicContact CE2-CD2 4.25Å; Y585-Y659 AromaticContact CE2-CE1 3.51Å; Y585-Y659 HydrophobicContact CE2-CE1 3.51Å; Y585-Y659 AromaticContact CE2-CE2 3.65Å; Y585-Y659 HydrophobicContact CE2-CE2 3.65Å; Y585-Y659 HydrophobicContact CE2-CG 4.45Å; Y585-Y659 AromaticContact CE2-CZ 3.23Å; Y585-Y659 WeakPolarHBondContact CE2-OH 3.48Å; Y585-Y659 HydrophobicContact CG-CD1 4.31Å; Y585-Y659 HydrophobicContact CG-CE1 4.17Å; W600-Y659 PolarHBondContact NE1-O 3.33Å; G657-Y659 WeakPolarHBondContact O-CE2 3.31Å; Y659-H676 WeakPolarHBondContact CB-O 3.31Å; Y659-H676 WeakPolarHBondContact CD2-O 3.43Å; Y659-H676 PolarHBondContact N-O 3.07Å; Y659-H676 PolarHBondContact O-N 2.93Å; Y659-S678 WeakPolarHBondContact CE2-OG 3.43Å; Y659-S678 PolarHBondContact OH-OG 3.16Å; Y659-L683 HydrophobicContact CD2-CD1 4.04Å; Y659-L683 HydrophobicContact CE2-CD1 3.8Å; Y659-P725 HydrophobicContact CE1-CB 4.1Å; Y659-P725 HydrophobicContact CE1-CG 3.95Å; Y659-W735 AromaticContact CD1-CD2 3.87Å; Y659-W735 HydrophobicContact CD1-CD2 3.87Å; Y659-W735 AromaticContact CD1-CE2 3.72Å; Y659-W735 AromaticContact CD1-CE3 3.88Å; Y659-W735 HydrophobicContact CD1-CE3 3.88Å; Y659-W735 AromaticContact CD1-CH2 3.78Å; Y659-W735 HydrophobicContact CD1-CH2 3.78Å; Y659-W735 AromaticContact CD1-CZ2 3.7Å; Y659-W735 HydrophobicContact CD1-CZ2 3.7Å; Y659-W735 AromaticContact CD1-CZ3 3.85Å; Y659-W735 HydrophobicContact CD1-CZ3 3.85Å; Y659-W735 HydrophobicContact CE1-CD2 4.36Å; Y659-W735 HydrophobicContact CE1-CZ2 4.47Å; Y659-W735 HydrophobicContact CG-CH2 4.21Å; Y659-W735 HydrophobicContact CG-CZ2 4.43Å; Y659-W735 HydrophobicContact CG-CZ3 4.36Å
660	L	90.7	Very high	82	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	117.6	178.2	169.9	63	0	0	0	110	L578 Y584 W600 I662 I673 I675 L701	L578-L660 HydrophobicContact CB-CD2 4.45Å; L578-L660 HydrophobicContact CD1-CD2 4.46Å; Y584-L660 PolarHBondContact N-O 2.89Å; Y584-L660 PolarHBondContact O-N 3.46Å; W600-L660 HydrophobicContact CD2-CB 4.01Å; W600-L660 HydrophobicContact CD2-CD2 3.93Å; W600-L660 HydrophobicContact CD2-CG 4.49Å; W600-L660 VanDerWaalsContact CE2-CB 3.5Å; W600-L660 HydrophobicContact CE3-CB 4.36Å; W600-L660 HydrophobicContact CE3-CD2 3.57Å; W600-L660 HydrophobicContact CH2-CB 3.79Å; W600-L660 HydrophobicContact CH2-CD2 3.92Å; W600-L660 HydrophobicContact CZ2-CB 3.4Å; W600-L660 VanDerWaalsContact CZ2-CB 3.4Å; W600-L660 HydrophobicContact CZ2-CD2 4.28Å; W600-L660 HydrophobicContact CZ2-CG 4.48Å; W600-L660 HydrophobicContact CZ3-CB 4.24Å; W600-L660 HydrophobicContact CZ3-CD2 3.55Å; L660-I662 HydrophobicContact CD1-CG1 4.04Å; L660-I662 HydrophobicContact CD2-CD1 4.09Å; L660-I662 HydrophobicContact CD2-CG1 4.22Å; L660-I662 HydrophobicContact CG-CD1 4.38Å; L660-I662 HydrophobicContact CG-CG1 3.97Å; L660-I673 HydrophobicContact CD1-CG2 3.49Å; L660-I673 VanDerWaalsContact CD1-CG2 3.49Å; L660-I675 HydrophobicContact CD1-CG1 4.03Å; L660-L701 HydrophobicContact CD1-CD1 3.74Å; L660-L701 HydrophobicContact CD2-CB 3.97Å; L660-L701 HydrophobicContact CD2-CD1 4.25Å
661	E	87.9	Confident	81	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.1	169.6	-150.3	177.6	142.2	0	0	109.3	A583 N663 I673 D674 P729 L730 T731	A583-E661 HydrophobicContact CB-CG 4.06Å; E661-N663 WeakPolarHBondContact CG-ND2 3.37Å; E661-N663 PolarHBondContact OE1-ND2 3.18Å; E661-I673 WeakPolarHBondContact O-CA 3.35Å; E661-D674 HydrophobicContact CB-CB 4.3Å; E661-D674 PolarHBondContact N-O 3.4Å; E661-D674 PolarHBondContact O-N 2.85Å; E661-P729 WeakPolarHBondContact OE2-CB 3.17Å; E661-L730 PolarHBondContact OE2-N 3.34Å; E661-T731 VanDerWaalsContact OE1-CB 3.31Å; E661-T731 WeakPolarHBondContact OE1-CB 3.11Å; E661-T731 WeakPolarHBondContact OE1-CG2 3.36Å; E661-T731 PolarHBondContact OE1-N 3.18Å; E661-T731 PolarHBondContact OE1-OG1 2.94Å
662	I	85.9	Confident	80.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.9	174.7	-58	176.7	0	0	0	108	L578 G580 P581 G582 Y584 L660	L578-I662 HydrophobicContact CB-CD1 4.17Å; G580-I662 WeakPolarHBondContact O-CB 3.18Å; P581-I662 CarbonylContact C-O 3.47Å; P581-I662 VanDerWaalsContact C-O 3.32Å; P581-I662 WeakPolarHBondContact CA-O 3.48Å; P581-I662 WeakPolarHBondContact CB-O 3.33Å; G582-I662 PolarHBondContact N-O 2.69Å; G582-I662 VanDerWaalsContact N-O 3.11Å; G582-I662 PolarHBondContact O-N 3.17Å; Y584-I662 HydrophobicContact CE2-CD1 4.38Å; L660-I662 HydrophobicContact CD1-CG1 4.04Å; L660-I662 HydrophobicContact CD2-CD1 4.09Å; L660-I662 HydrophobicContact CD2-CG1 4.22Å; L660-I662 HydrophobicContact CG-CD1 4.38Å; L660-I662 HydrophobicContact CG-CG1 3.97Å
663	N	78.4	Confident	79.8	Confident	12 Å²	12	43 Å²	43	6%	0.064	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.5	-173.7	-75.3	-35	0	0	0	111.5	E661 S665 L672 T731	E661-N663 WeakPolarHBondContact CG-ND2 3.37Å; E661-N663 PolarHBondContact OE1-ND2 3.18Å; N663-S665 PolarHBondContact O-N 3.18Å; N663-L672 HydrophobicContact CB-CB 4.02Å; N663-L672 PolarHBondContact N-O 2.85Å; N663-L672 PolarHBondContact O-N 2.95Å; N663-L672 VanDerWaalsContact O-O 3.13Å; N663-T731 WeakPolarHBondContact OD1-CG2 3.45Å
664	P	72.6	Confident	79.5	Confident	92 Å²	92	42.9 Å²	42.9	60%	0.597	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.5	174.3	29.4	-33.1	0	0	0	109.2
665	S	70	Confident	79.3	Confident	39 Å²	39	42.2 Å²	42.2	27%	0.273	24%	0.238	S	C	.	.			trans	-74.5	162.8	169.9	-174.6	0	0	0	0	110.4	N663 D667 N670	N663-S665 PolarHBondContact O-N 3.18Å; S665-D667 WeakPolarHBondContact CB-O 3.36Å; S665-D667 PolarHBondContact O-N 2.88Å; S665-D667 PolarHBondContact OG-N 3.11Å; S665-N670 VanDerWaalsContact CB-O 3.25Å; S665-N670 WeakPolarHBondContact CB-O 3.08Å; S665-N670 PolarHBondContact N-O 3.23Å
666	A	65.6	Low	79.1	Confident	114 Å²	114	42.5 Å²	42.5	94%	0.942	24%	0.238	S	C	*	.	S	Bend	trans	-67.7	-24.2	166.8	0	0	0	0	0	111.8
667	D	65.4	Low	79	Confident	74 Å²	74	42.5 Å²	42.5	40%	0.396	24%	0.238	S	C	.	.	S	Bend	trans	-85.2	130.7	166.6	176.4	25.4	0	0	0	110.1	S665 D669 N670	S665-D667 WeakPolarHBondContact CB-O 3.36Å; S665-D667 PolarHBondContact O-N 2.88Å; S665-D667 PolarHBondContact OG-N 3.11Å; D667-D669 VanDerWaalsContact C-N 3.29Å; D667-D669 PolarHBondContact O-N 2.95Å; D667-D669 PolarHBondContact OD1-N 3.46Å; D667-N670 PolarHBondContact O-N 3.02Å; D667-N670 PolarHBondContact OD2-ND2 3.36Å
668	K	61	Low	78.9	Confident	189 Å²	189	42.5 Å²	42.5	82%	0.822	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.8	-173.6	-71.5	-174.3	177.1	-178.6	0	113.5	N670	K668-N670 VanDerWaalsContact C-N 3.28Å
669	D	59.3	Low	78.7	Confident	117 Å²	117	44.5 Å²	44.5	63%	0.626	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.2	-175.2	-63.1	-19	0	0	0	112.2	D667 P697	D667-D669 VanDerWaalsContact C-N 3.29Å; D667-D669 PolarHBondContact O-N 2.95Å; D667-D669 PolarHBondContact OD1-N 3.46Å; D669-P697 VanDerWaalsContact O-CD 3.28Å; D669-P697 WeakPolarHBondContact O-CD 3.48Å; D669-P697 WeakPolarHBondContact O-CG 3.43Å
670	N	63.9	Low	78.7	Confident	41 Å²	41	46.9 Å²	46.9	22%	0.219	26%	0.259	C	S	.	.			trans	-129.8	156.1	-175.9	-81.3	-67.2	0	0	0	113.2	S665 D667 K668	S665-N670 VanDerWaalsContact CB-O 3.25Å; S665-N670 WeakPolarHBondContact CB-O 3.08Å; S665-N670 PolarHBondContact N-O 3.23Å; D667-N670 PolarHBondContact O-N 3.02Å; D667-N670 PolarHBondContact OD2-ND2 3.36Å; K668-N670 VanDerWaalsContact C-N 3.28Å
671	R	68.9	Low	78.5	Confident	33 Å²	33	48.3 Å²	48.3	13%	0.125	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140	167.9	-74.5	173.5	-65.6	161.2	5	109.5	K579 I673 T696 P697 I699	K579-R671 PolarHBondContact O-NH1 2.86Å; R671-I673 HydrophobicContact CB-CG1 4.31Å; R671-T696 PolarHBondContact NH2-O 3.44Å; R671-P697 VanDerWaalsContact CZ-O 3.26Å; R671-P697 PolarHBondContact NH2-O 3.23Å; R671-I699 PolarHBondContact NH1-O 3.43Å; R671-I699 VanDerWaalsContact NH1-O 3.08Å; R671-I699 PolarHBondContact NH2-O 2.85Å
672	L	73.3	Confident	78.5	Confident	100 Å²	100	55.1 Å²	55.1	52%	0.524	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.3	165.7	-66.4	169.3	0	0	0	107	N663	N663-L672 HydrophobicContact CB-CB 4.02Å; N663-L672 PolarHBondContact N-O 2.85Å; N663-L672 PolarHBondContact O-N 2.95Å; N663-L672 VanDerWaalsContact O-O 3.13Å
673	I	79.7	Confident	78.5	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.046	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	113.9	179.5	-63	165.7	0	0	0	107.8	L660 E661 R671 I675 L691 L695 L701	L660-I673 HydrophobicContact CD1-CG2 3.49Å; L660-I673 VanDerWaalsContact CD1-CG2 3.49Å; E661-I673 WeakPolarHBondContact O-CA 3.35Å; R671-I673 HydrophobicContact CB-CG1 4.31Å; I673-I675 HydrophobicContact CG2-CG1 4.31Å; I673-L691 HydrophobicContact CB-CD2 3.73Å; I673-L691 HydrophobicContact CD1-CD2 4.29Å; I673-L691 HydrophobicContact CG1-CD2 4.36Å; I673-L695 HydrophobicContact CD1-CB 4.48Å; I673-L695 HydrophobicContact CD1-CD1 4.02Å; I673-L701 HydrophobicContact CD1-CD1 4.31Å; I673-L701 HydrophobicContact CG2-CD1 3.73Å
674	D	83.5	Confident	79	Confident	52 Å²	52	59 Å²	59	28%	0.278	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.1	-179.4	-58	-69.2	0	0	0	108.9	E661	E661-D674 HydrophobicContact CB-CB 4.3Å; E661-D674 PolarHBondContact N-O 3.4Å; E661-D674 PolarHBondContact O-N 2.85Å
675	I	88.7	Confident	79.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127	-177.8	-65.1	171.4	0	0	0	108.2	W600 F616 L660 I673 Y677 P687 F689	W600-I675 HydrophobicContact CB-CD1 4.32Å; F616-I675 HydrophobicContact CB-CD1 4.05Å; F616-I675 HydrophobicContact CD2-CD1 3.56Å; F616-I675 HydrophobicContact CE2-CD1 4.18Å; F616-I675 HydrophobicContact CG-CD1 3.79Å; L660-I675 HydrophobicContact CD1-CG1 4.03Å; I673-I675 HydrophobicContact CG2-CG1 4.31Å; I675-Y677 HydrophobicContact CG2-CE2 3.81Å; I675-P687 WeakPolarHBondContact O-CD 3.39Å; I675-F689 HydrophobicContact CB-CZ 4.32Å
676	H	89.2	Confident	79.7	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162.7	-179.9	-40.5	-98	0	0	0	110.2	Y659 L683 T686	Y659-H676 WeakPolarHBondContact CB-O 3.31Å; Y659-H676 WeakPolarHBondContact CD2-O 3.43Å; Y659-H676 PolarHBondContact N-O 3.07Å; Y659-H676 PolarHBondContact O-N 2.93Å; H676-L683 HydrophobicContact CB-CD1 4.33Å; H676-T686 PolarHBondContact CE1-OG1 3.49Å; H676-T686 PolarHBondContact ND1-OG1 3.33Å; H676-T686 VanDerWaalsContact ND1-OG1 3.1Å
677	Y	93	Very high	80.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.6	176.7	-59.6	-87.9	0	0	0	110.4	L598 F616 Y618 F637 Y646 V656 G657 I675 L684	L598-Y677 WeakPolarHBondContact O-CE1 3.4Å; F616-Y677 PolarHBondContact O-OH 2.66Å; Y618-Y677 AromaticContact CD1-CD1 3.86Å; Y618-Y677 HydrophobicContact CD1-CD1 3.86Å; Y618-Y677 AromaticContact CD1-CG 3.84Å; Y618-Y677 HydrophobicContact CD1-CG 3.84Å; Y618-Y677 HydrophobicContact CG-CD1 4.21Å; Y618-Y677 HydrophobicContact CG-CD2 4.4Å; Y618-Y677 HydrophobicContact CG-CG 4.08Å; F637-Y677 AromaticContact CD2-CE2 3.89Å; F637-Y677 HydrophobicContact CD2-CE2 3.89Å; F637-Y677 AromaticContact CE2-CE2 3.9Å; F637-Y677 HydrophobicContact CE2-CE2 3.9Å; Y646-Y677 AromaticContact CE1-CD2 3.74Å; Y646-Y677 HydrophobicContact CE1-CD2 3.74Å; Y646-Y677 HydrophobicContact CE1-CG 4.32Å; V656-Y677 HydrophobicContact CG1-CD1 4.28Å; G657-Y677 CarbonylContact O-C 3.55Å; G657-Y677 VanDerWaalsContact O-CA 3.25Å; G657-Y677 WeakPolarHBondContact O-CA 3.42Å; I675-Y677 HydrophobicContact CG2-CE2 3.81Å; Y677-L684 WeakPolarHBondContact O-CB 3.33Å; Y677-L684 PolarHBondContact O-N 2.8Å
678	S	92	Very high	80.4	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154	164	69.3	0	0	0	0	110.1	V656 G657 Y659 Q682	V656-S678 CarbonylContact C-O 3.58Å; V656-S678 VanDerWaalsContact CA-O 3.29Å; V656-S678 WeakPolarHBondContact CA-O 3.49Å; G657-S678 WeakPolarHBondContact CA-OG 3.1Å; G657-S678 PolarHBondContact N-O 3.03Å; G657-S678 PolarHBondContact N-OG 3.32Å; G657-S678 PolarHBondContact O-N 3.34Å; Y659-S678 WeakPolarHBondContact CE2-OG 3.43Å; Y659-S678 PolarHBondContact OH-OG 3.16Å; S678-Q682 CarbonylContact C-O 3.46Å; S678-Q682 WeakPolarHBondContact CA-O 3.36Å; S678-Q682 VanDerWaalsContact CB-O 3.27Å; S678-Q682 WeakPolarHBondContact CB-O 3.46Å
679	Y	91.6	Very high	80.8	Confident	43 Å²	43	55 Å²	55	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.5	179.4	175.9	-98.9	0	0	0	107.8	M648 D654 G681 Q682	M648-Y679 HydrophobicContact CB-CD1 4.03Å; M648-Y679 HydrophobicContact CB-CD2 4.23Å; M648-Y679 HydrophobicContact CB-CE1 3.75Å; M648-Y679 HydrophobicContact CB-CE2 3.97Å; M648-Y679 HydrophobicContact CB-CG 4.25Å; M648-Y679 HydrophobicContact CG-CD1 3.88Å; M648-Y679 HydrophobicContact CG-CE1 3.77Å; M648-Y679 HydrophobicContact CG-CG 4.45Å; D654-Y679 HydrophobicContact CB-CE2 3.93Å; D654-Y679 VanDerWaalsContact CG-CE2 3.45Å; D654-Y679 PolarHBondContact OD1-OH 3.46Å; D654-Y679 VanDerWaalsContact OD1-OH 3.11Å; D654-Y679 WeakPolarHBondContact OD2-CE2 3.46Å; D654-Y679 VanDerWaalsContact OD2-CZ 3.28Å; D654-Y679 PolarHBondContact OD2-OH 3.15Å; Y679-G681 PolarHBondContact O-N 2.96Å; Y679-G681 VanDerWaalsContact O-N 3.15Å; Y679-Q682 PolarHBondContact N-O 3.28Å; Y679-Q682 WeakPolarHBondContact O-CB 3.5Å; Y679-Q682 PolarHBondContact O-N 2.89Å
680	N	91.5	Very high	80.7	Confident	55 Å²	55	58 Å²	58	29%	0.294	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	41.2	-173.4	-65.2	-35.9	0	0	0	113.1	D654 V655 Q682 F723	D654-N680 WeakPolarHBondContact CA-OD1 3.39Å; D654-N680 PolarHBondContact OD1-ND2 3.27Å; V655-N680 PolarHBondContact N-OD1 2.96Å; V655-N680 PolarHBondContact O-N 3.31Å; N680-Q682 VanDerWaalsContact C-N 3.29Å; N680-Q682 PolarHBondContact O-N 3.28Å; N680-F723 HydrophobicContact CB-CE2 4.37Å; N680-F723 HydrophobicContact CB-CZ 4.19Å; N680-F723 WeakPolarHBondContact O-CE1 3.36Å
681	G	86.7	Confident	80.5	Confident	31 Å²	31	58.6 Å²	58.6	32%	0.32	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-3.7	-179.5	0	0	0	0	0	116.5	Y679 F723	Y679-G681 PolarHBondContact O-N 2.96Å; Y679-G681 VanDerWaalsContact O-N 3.15Å; G681-F723 VanDerWaalsContact CA-CB 3.49Å
682	Q	88.7	Confident	79.7	Confident	143 Å²	143	62 Å²	62	67%	0.668	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.6	168.5	-179.6	173.7	-20.4	0	0	109.4	S678 Y679 N680	S678-Q682 CarbonylContact C-O 3.46Å; S678-Q682 WeakPolarHBondContact CA-O 3.36Å; S678-Q682 VanDerWaalsContact CB-O 3.27Å; S678-Q682 WeakPolarHBondContact CB-O 3.46Å; Y679-Q682 PolarHBondContact N-O 3.28Å; Y679-Q682 WeakPolarHBondContact O-CB 3.5Å; Y679-Q682 PolarHBondContact O-N 2.89Å; N680-Q682 VanDerWaalsContact C-N 3.29Å; N680-Q682 PolarHBondContact O-N 3.28Å
683	L	85.7	Confident	78.6	Confident	66 Å²	66	64.9 Å²	64.9	35%	0.346	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.1	173.6	-170.1	70.6	0	0	0	110	Y659 H676 T727	Y659-L683 HydrophobicContact CD2-CD1 4.04Å; Y659-L683 HydrophobicContact CE2-CD1 3.8Å; H676-L683 HydrophobicContact CB-CD1 4.33Å; L683-T727 HydrophobicContact CD2-CG2 3.94Å
684	L	87.9	Confident	77.2	Confident	27 Å²	27	69.3 Å²	69.3	14%	0.141	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-89.2	158.4	175.1	-56.1	175.7	0	0	0	109.8	Y618 Y646 Y677	Y618-L684 HydrophobicContact CE1-CD1 4.02Å; Y618-L684 HydrophobicContact CE2-CD1 4.33Å; Y646-L684 HydrophobicContact CD1-CD1 4.33Å; Y646-L684 HydrophobicContact CE1-CB 4.32Å; Y646-L684 HydrophobicContact CE1-CD1 3.71Å; Y646-L684 HydrophobicContact CE2-CB 4.49Å; Y646-L684 WeakPolarHBondContact OH-CB 3.34Å; Y677-L684 WeakPolarHBondContact O-CB 3.33Å; Y677-L684 PolarHBondContact O-N 2.8Å
685	E	82.4	Confident	76	Confident	167 Å²	167	67.5 Å²	67.5	78%	0.78	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-59.9	159	173.3	-62.1	-172.5	165.7	0	0	111.1	Y646	Y646-E685 WeakPolarHBondContact CE2-O 3.31Å; Y646-E685 VanDerWaalsContact CZ-O 3.3Å; Y646-E685 PolarHBondContact OH-O 3.38Å
686	T	76	Confident	74.6	Confident	66 Å²	66	71 Å²	71	41%	0.405	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-65.5	127.4	173.8	-44.7	0	0	0	0	109.4	H676 N688	H676-T686 PolarHBondContact CE1-OG1 3.49Å; H676-T686 PolarHBondContact ND1-OG1 3.33Å; H676-T686 VanDerWaalsContact ND1-OG1 3.1Å; T686-N688 PolarHBondContact O-N 2.99Å
687	P	74.6	Confident	73.2	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.039	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-63.1	136.3	176.9	21	-24.6	0	0	0	109.8	F637 Y646 I675 F689	F637-P687 HydrophobicContact CB-CB 4.35Å; F637-P687 HydrophobicContact CD1-CB 3.8Å; F637-P687 HydrophobicContact CD1-CG 4.31Å; F637-P687 HydrophobicContact CD2-CB 4.17Å; F637-P687 HydrophobicContact CD2-CG 3.96Å; F637-P687 HydrophobicContact CE1-CB 4.06Å; F637-P687 HydrophobicContact CE1-CG 4.24Å; F637-P687 HydrophobicContact CE2-CB 4.42Å; F637-P687 HydrophobicContact CE2-CG 3.89Å; F637-P687 HydrophobicContact CG-CB 3.84Å; F637-P687 HydrophobicContact CG-CG 4.16Å; F637-P687 HydrophobicContact CZ-CB 4.36Å; F637-P687 HydrophobicContact CZ-CG 4.03Å; Y646-P687 HydrophobicContact CD2-CB 3.85Å; Y646-P687 HydrophobicContact CE2-CB 3.67Å; Y646-P687 HydrophobicContact CE2-CG 4.03Å; I675-P687 WeakPolarHBondContact O-CD 3.39Å; P687-F689 HydrophobicContact CB-CD1 4.25Å; P687-F689 HydrophobicContact CG-CD1 3.94Å; P687-F689 HydrophobicContact CG-CE1 3.96Å; P687-F689 VanDerWaalsContact O-CD1 3.25Å; P687-F689 WeakPolarHBondContact O-CD1 3.27Å; P687-F689 PolarHBondContact O-N 3.32Å
688	N	70.1	Confident	71.9	Confident	155 Å²	155	78 Å²	78	83%	0.829	41%	0.411	S	S	*	.			trans	-75.7	68	-175.6	-81.7	-65.2	0	0	0	112.3	T686	T686-N688 PolarHBondContact O-N 2.99Å
689	F	70.9	Confident	71.3	Confident	32 Å²	32	79.5 Å²	79.5	14%	0.14	42%	0.419	C	S	.	.			trans	-109	151.6	169	74.9	-82.3	0	0	0	110.7	F616 F637 Y639 I675 P687 L691	F616-F689 HydrophobicContact CD1-CE2 4.49Å; F616-F689 HydrophobicContact CE1-CD2 4.48Å; F616-F689 HydrophobicContact CE1-CE2 4.21Å; F637-F689 HydrophobicContact CE1-CB 4.21Å; F637-F689 AromaticContact CE1-CD1 3.82Å; F637-F689 HydrophobicContact CE1-CD1 3.82Å; F637-F689 HydrophobicContact CE1-CG 4.16Å; F637-F689 AromaticContact CZ-CD1 3.76Å; F637-F689 HydrophobicContact CZ-CD1 3.76Å; F637-F689 HydrophobicContact CZ-CE1 4.02Å; F637-F689 HydrophobicContact CZ-CG 4.31Å; Y639-F689 HydrophobicContact CD1-CB 4.35Å; Y639-F689 HydrophobicContact CE1-CB 4.05Å; I675-F689 HydrophobicContact CB-CZ 4.32Å; P687-F689 HydrophobicContact CB-CD1 4.25Å; P687-F689 HydrophobicContact CG-CD1 3.94Å; P687-F689 HydrophobicContact CG-CE1 3.96Å; P687-F689 VanDerWaalsContact O-CD1 3.25Å; P687-F689 WeakPolarHBondContact O-CD1 3.27Å; P687-F689 PolarHBondContact O-N 3.32Å; F689-L691 HydrophobicContact CE2-CB 4.11Å; F689-L691 HydrophobicContact CE2-CD1 4.02Å
690	K	57.4	Low	71.1	Confident	178 Å²	178	77.8 Å²	77.8	77%	0.774	41%	0.413	S	S	*	.			trans	-106.8	120.9	166	-75.3	-168.7	175.6	-172.5	0	108.6	V692	K690-V692 PolarHBondContact O-N 2.7Å
691	L	59.8	Low	71.2	Confident	55 Å²	55	75.3 Å²	75.3	29%	0.288	40%	0.4	S	S	.	.			trans	-74.8	91.4	173	-166.4	77.9	0	0	0	109.3	F616 I673 F689 E693 L695	F616-L691 HydrophobicContact CE1-CD1 4.11Å; F616-L691 HydrophobicContact CE2-CD1 4.46Å; F616-L691 HydrophobicContact CZ-CD1 3.61Å; I673-L691 HydrophobicContact CB-CD2 3.73Å; I673-L691 HydrophobicContact CD1-CD2 4.29Å; I673-L691 HydrophobicContact CG1-CD2 4.36Å; F689-L691 HydrophobicContact CE2-CB 4.11Å; F689-L691 HydrophobicContact CE2-CD1 4.02Å; L691-E693 PolarHBondContact O-N 2.77Å; L691-L695 HydrophobicContact CD1-CD1 3.85Å; L691-L695 HydrophobicContact CD2-CD1 4.15Å; L691-L695 HydrophobicContact CG-CD1 4.32Å
692	V	50.1	Low	71.5	Confident	104 Å²	104	73.9 Å²	73.9	63%	0.63	39%	0.385	S	S	*	.			trans	-75.3	95.2	-175.3	-178.4	0	0	0	0	110.7	K690 T694	K690-V692 PolarHBondContact O-N 2.7Å; V692-T694 WeakPolarHBondContact O-CB 3.24Å; V692-T694 PolarHBondContact O-N 3.21Å; V692-T694 PolarHBondContact O-OG1 3.06Å
693	E	50.4	Low	71.9	Confident	160 Å²	160	67.1 Å²	67.1	75%	0.748	35%	0.353	S	S	*	.	S	Bend	trans	44.2	16.2	147.3	-63	-179.4	147.9	0	0	119.3	L691	L691-E693 PolarHBondContact O-N 2.77Å
694	T	50.9	Low	72.4	Confident	102 Å²	102	64 Å²	64	63%	0.626	34%	0.337	S	S	*	.			trans	-118.5	5.2	-171.7	-33.5	0	0	0	0	113.1	V692	V692-T694 WeakPolarHBondContact O-CB 3.24Å; V692-T694 PolarHBondContact O-N 3.21Å; V692-T694 PolarHBondContact O-OG1 3.06Å
695	L	57.9	Low	72.8	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.073	33%	0.331	C	S	.	.			trans	-101.3	83	172.8	-71.3	-179.6	0	0	0	110.2	T602 I673 L691 I699	T602-L695 HydrophobicContact CG2-CD2 3.78Å; I673-L695 HydrophobicContact CD1-CB 4.48Å; I673-L695 HydrophobicContact CD1-CD1 4.02Å; L691-L695 HydrophobicContact CD1-CD1 3.85Å; L691-L695 HydrophobicContact CD2-CD1 4.15Å; L691-L695 HydrophobicContact CG-CD1 4.32Å; L695-I699 HydrophobicContact CD2-CB 4.3Å; L695-I699 HydrophobicContact CD2-CD1 4Å; L695-I699 HydrophobicContact CD2-CG2 3.82Å
696	T	60	Low	73.4	Confident	74 Å²	74	54.9 Å²	54.9	45%	0.454	29%	0.294	S	S	.	.			trans	-53.2	160.5	178	63.3	0	0	0	0	112	R671 D698 I699	R671-T696 PolarHBondContact NH2-O 3.44Å; T696-D698 PolarHBondContact O-N 2.92Å; T696-I699 PolarHBondContact O-N 3.32Å
697	P	59.1	Low	74.2	Confident	47 Å²	47	51.7 Å²	51.7	31%	0.305	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.1	-173.4	-26.9	37.9	0	0	0	115	K579 D669 R671	K579-P697 VanDerWaalsContact CE-O 3.28Å; K579-P697 WeakPolarHBondContact CE-O 3.45Å; D669-P697 VanDerWaalsContact O-CD 3.28Å; D669-P697 WeakPolarHBondContact O-CD 3.48Å; D669-P697 WeakPolarHBondContact O-CG 3.43Å; R671-P697 VanDerWaalsContact CZ-O 3.26Å; R671-P697 PolarHBondContact NH2-O 3.23Å
698	D	66.3	Low	75.1	Confident	113 Å²	113	53.1 Å²	53.1	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.4	-176.8	-69.9	-54.5	0	0	0	116.1	K579 T696	K579-D698 IonicContact NZ-OD1 3.4Å; K579-D698 PolarHBondContact NZ-OD1 3.44Å; T696-D698 PolarHBondContact O-N 2.92Å
699	I	79.2	Confident	76	Confident	32 Å²	32	49.3 Å²	49.3	16%	0.164	26%	0.26	C	S	.	.			trans	-76	139.4	-175.6	-63.5	170.1	0	0	0	110.9	T602 R671 L695 T696	T602-I699 HydrophobicContact CG2-CG2 3.42Å; T602-I699 VanDerWaalsContact CG2-CG2 3.42Å; R671-I699 PolarHBondContact NH1-O 3.43Å; R671-I699 VanDerWaalsContact NH1-O 3.08Å; R671-I699 PolarHBondContact NH2-O 2.85Å; L695-I699 HydrophobicContact CD2-CB 4.3Å; L695-I699 HydrophobicContact CD2-CD1 4Å; L695-I699 HydrophobicContact CD2-CG2 3.82Å; T696-I699 PolarHBondContact O-N 3.32Å
700	A	88.5	Confident	77	Confident	6 Å²	6	47.9 Å²	47.9	5%	0.05	25%	0.254	C	S	.	.			trans	-110.2	151.7	177	0	0	0	0	0	111.5	L578 K579 F702 V747	L578-A700 CarbonylContact O-C 3.56Å; L578-A700 VanDerWaalsContact O-CA 3.26Å; L578-A700 WeakPolarHBondContact O-CA 3.46Å; K579-A700 HydrophobicContact CB-CB 4.18Å; A700-F702 HydrophobicContact CB-CE2 3.76Å; A700-F702 HydrophobicContact CB-CZ 4.21Å; A700-V747 HydrophobicContact CB-CB 3.66Å; A700-V747 HydrophobicContact CB-CG1 3.97Å; A700-V747 HydrophobicContact CB-CG2 3.86Å
701	L	91.8	Very high	78.7	Confident	4 Å²	4	43 Å²	43	2%	0.021	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-109.6	128.2	176.2	-74.7	170.6	0	0	0	111.1	G577 L578 W600 T602 F616 L660 I673	G577-L701 CarbonylContact C-O 3.54Å; G577-L701 VanDerWaalsContact CA-O 3.23Å; G577-L701 WeakPolarHBondContact CA-O 3.3Å; L578-L701 PolarHBondContact N-O 3.45Å; L578-L701 PolarHBondContact O-N 2.99Å; W600-L701 HydrophobicContact CB-CB 4.5Å; W600-L701 HydrophobicContact CB-CD2 4.42Å; W600-L701 HydrophobicContact CE3-CB 4.42Å; T602-L701 HydrophobicContact CG2-CD2 3.86Å; F616-L701 HydrophobicContact CE2-CD2 4.4Å; L660-L701 HydrophobicContact CD1-CD1 3.74Å; L660-L701 HydrophobicContact CD2-CB 3.97Å; L660-L701 HydrophobicContact CD2-CD1 4.25Å; I673-L701 HydrophobicContact CD1-CD1 4.31Å; I673-L701 HydrophobicContact CG2-CD1 3.73Å
702	F	94.5	Very high	80.4	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.1	-175.6	-64.7	-103.3	0	0	0	108.4	R573 W576 G577 W600 S601 N603 A700 A704 V747 N749	R573-F702 HydrophobicContact CB-CB 4.15Å; W576-F702 VanDerWaalsContact C-CE1 3.43Å; W576-F702 VanDerWaalsContact O-CD1 3.29Å; W576-F702 WeakPolarHBondContact O-CD1 3.34Å; G577-F702 VanDerWaalsContact N-CD1 3.35Å; W600-F702 WeakPolarHBondContact CA-O 3.41Å; S601-F702 PolarHBondContact N-O 2.94Å; S601-F702 PolarHBondContact O-N 2.88Å; N603-F702 HydrophobicContact CB-CE2 4.49Å; N603-F702 VanDerWaalsContact CG-CE2 3.42Å; N603-F702 WeakPolarHBondContact ND2-CE2 3.37Å; N603-F702 WeakPolarHBondContact ND2-CZ 3.47Å; N603-F702 WeakPolarHBondContact OD1-CD2 3.06Å; N603-F702 WeakPolarHBondContact OD1-CE2 3.49Å; N603-F702 WeakPolarHBondContact OD1-CZ 3.27Å; A700-F702 HydrophobicContact CB-CE2 3.76Å; A700-F702 HydrophobicContact CB-CZ 4.21Å; F702-A704 PolarHBondContact O-N 3.44Å; F702-V747 WeakPolarHBondContact CE1-O 3.47Å; F702-V747 HydrophobicContact CZ-CG1 4.43Å; F702-N749 HydrophobicContact CD1-CB 4.2Å; F702-N749 HydrophobicContact CE1-CB 3.77Å
703	P	96.2	Very high	82.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47	133.1	160.8	-28.4	33.9	0	0	0	110.8	W541 T574 Y586 W600 F716 V738	W541-P703 HydrophobicContact CZ3-CG 4.05Å; T574-P703 HydrophobicContact CG2-CB 3.78Å; T574-P703 HydrophobicContact CG2-CG 4.29Å; T574-P703 PolarHBondContact N-O 3.26Å; T574-P703 VanDerWaalsContact OG1-CD 3.28Å; T574-P703 WeakPolarHBondContact OG1-CD 3.48Å; T574-P703 PolarHBondContact OG1-O 3.06Å; Y586-P703 HydrophobicContact CD1-CB 3.98Å; Y586-P703 HydrophobicContact CD1-CG 4.02Å; Y586-P703 HydrophobicContact CE1-CB 3.57Å; Y586-P703 HydrophobicContact CE1-CG 3.98Å; W600-P703 HydrophobicContact CE3-CG 4.08Å; W600-P703 HydrophobicContact CH2-CG 4.12Å; W600-P703 HydrophobicContact CZ3-CG 3.56Å; P703-F716 HydrophobicContact CB-CE1 4.11Å; P703-V738 HydrophobicContact CG-CG1 4.39Å
704	A	96.2	Very high	84.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.2	-167.4	0	0	0	0	0	111.6	C572 R573 Y586 G599 S601 L609 F702	C572-A704 WeakPolarHBondContact O-CA 3.32Å; R573-A704 HydrophobicContact CG-CB 4.09Å; Y586-A704 PolarHBondContact OH-O 2.75Å; G599-A704 PolarHBondContact N-O 2.9Å; G599-A704 VanDerWaalsContact N-O 3.11Å; G599-A704 PolarHBondContact O-N 3.26Å; S601-A704 WeakPolarHBondContact OG-CB 3.47Å; L609-A704 HydrophobicContact CD1-CB 3.99Å; L609-A704 HydrophobicContact CD2-CB 3.87Å; L609-A704 HydrophobicContact CG-CB 4.23Å; F702-A704 PolarHBondContact O-N 3.44Å
705	V	95.7	Very high	86.9	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.3	-177.4	-178.5	0	0	0	0	109	M543 I561 G571 C572 R597 L598 L707 V714	M543-V705 HydrophobicContact CE-CB 4.16Å; M543-V705 HydrophobicContact CE-CG2 4.04Å; M543-V705 HydrophobicContact SD-CG2 4.39Å; I561-V705 HydrophobicContact CD1-CB 3.86Å; I561-V705 HydrophobicContact CD1-CG1 3.98Å; I561-V705 HydrophobicContact CD1-CG2 3.68Å; G571-V705 CarbonylContact C-O 3.49Å; G571-V705 VanDerWaalsContact CA-O 3.25Å; G571-V705 WeakPolarHBondContact CA-O 3.26Å; C572-V705 PolarHBondContact N-O 3.21Å; C572-V705 PolarHBondContact O-N 3.27Å; R597-V705 WeakPolarHBondContact O-CA 3.49Å; L598-V705 HydrophobicContact CD2-CB 4.33Å; L598-V705 HydrophobicContact CD2-CG1 3.87Å; L598-V705 HydrophobicContact CD2-CG2 3.82Å; V705-L707 HydrophobicContact CG1-CD1 4.25Å; V705-L707 HydrophobicContact CG1-CD2 3.72Å; V705-L707 HydrophobicContact CG1-CG 3.77Å; V705-V714 HydrophobicContact CG2-CG2 4.03Å
706	S	95.3	Very high	88.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.8	165.6	-45.7	0	0	0	0	110.1	Q570 V596 R597 L607 L609	Q570-S706 CarbonylContact O-C 3.5Å; Q570-S706 WeakPolarHBondContact O-CA 3.47Å; Q570-S706 VanDerWaalsContact O-CB 3.29Å; Q570-S706 WeakPolarHBondContact O-CB 3.35Å; V596-S706 CarbonylContact C-O 3.26Å; V596-S706 WeakPolarHBondContact CA-O 3.49Å; R597-S706 PolarHBondContact N-O 3.5Å; R597-S706 PolarHBondContact O-N 3.13Å; L607-S706 PolarHBondContact O-OG 2.82Å; L609-S706 WeakPolarHBondContact CB-OG 3.24Å; L609-S706 PolarHBondContact N-OG 3.18Å
707	L	94.2	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.5	-173.3	-58	178.7	0	0	0	110.5	L552 I561 A563 Q570 Q595 V596 V705 A710 V712	L552-L707 HydrophobicContact CD1-CB 4.23Å; L552-L707 HydrophobicContact CD1-CD1 4.16Å; L552-L707 HydrophobicContact CD1-CG 4.42Å; I561-L707 HydrophobicContact CB-CD1 4.07Å; I561-L707 HydrophobicContact CG2-CD1 3.89Å; I561-L707 WeakPolarHBondContact O-CD1 3.11Å; A563-L707 HydrophobicContact CB-CB 3.78Å; Q570-L707 PolarHBondContact N-O 3.31Å; Q570-L707 PolarHBondContact O-N 2.84Å; Q595-L707 CarbonylContact O-C 3.6Å; Q595-L707 WeakPolarHBondContact O-CA 3.34Å; V596-L707 HydrophobicContact CB-CD2 4.01Å; V596-L707 HydrophobicContact CG2-CD2 3.75Å; V705-L707 HydrophobicContact CG1-CD1 4.25Å; V705-L707 HydrophobicContact CG1-CD2 3.72Å; V705-L707 HydrophobicContact CG1-CG 3.77Å; L707-A710 HydrophobicContact CB-CB 4.36Å; L707-A710 WeakPolarHBondContact CD1-O 3.3Å; L707-A710 HydrophobicContact CD2-CB 4.11Å; L707-V712 HydrophobicContact CD2-CB 4.4Å; L707-V712 HydrophobicContact CD2-CG2 3.65Å
708	K	92	Very high	91.3	Very high	36 Å²	36	24.8 Å²	24.8	16%	0.157	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	116.6	166.6	-174.6	179.7	178.4	170.5	0	108.6	T567 E568 W569 Q595 A710	T567-K708 WeakPolarHBondContact O-CE 3.29Å; T567-K708 WeakPolarHBondContact O-CG 3.48Å; E568-K708 IonicContact OE1-NZ 2.65Å; E568-K708 PolarHBondContact OE1-NZ 3.27Å; E568-K708 WeakPolarHBondContact OE2-CE 3.2Å; E568-K708 IonicContact OE2-NZ 2.73Å; E568-K708 PolarHBondContact OE2-NZ 3.26Å; W569-K708 HydrophobicContact CD2-CB 4.12Å; W569-K708 HydrophobicContact CE3-CB 4.43Å; W569-K708 HydrophobicContact CG-CB 4.3Å; W569-K708 HydrophobicContact CG-CD 4.41Å; Q595-K708 HydrophobicContact CB-CB 4.19Å; Q595-K708 PolarHBondContact N-O 3.38Å; Q595-K708 PolarHBondContact O-N 3.45Å; K708-A710 PolarHBondContact O-N 2.96Å
709	N	89.4	Confident	92.3	Very high	75 Å²	75	24.3 Å²	24.3	40%	0.401	12%	0.118	S	C	.	.	S	Bend	trans	55.3	4.3	-168.8	-60.5	-24.7	0	0	0	116	E566 E593	E566-N709 PolarHBondContact N-OD1 2.84Å; E593-N709 VanDerWaalsContact O-O 3.13Å
710	A	91.9	Very high	92.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	15%	0.148	C	C	.	.			trans	-103.9	165.8	-172.7	0	0	0	0	0	113.2	A563 M590 L707 K708	A563-A710 PolarHBondContact N-O 3.25Å; M590-A710 HydrophobicContact CE-CB 3.87Å; M590-A710 HydrophobicContact SD-CB 4.44Å; L707-A710 HydrophobicContact CB-CB 4.36Å; L707-A710 WeakPolarHBondContact CD1-O 3.3Å; L707-A710 HydrophobicContact CD2-CB 4.11Å; K708-A710 PolarHBondContact O-N 2.96Å
711	R	94.1	Very high	92.9	Very high	76 Å²	76	30.4 Å²	30.4	29%	0.287	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.3	174.4	-173.8	-175	178.4	-177.8	-2.8	112.2	D560 I561 A562 L591 E592	D560-R711 IonicContact OD1-CZ 3.04Å; D560-R711 IonicContact OD1-NE 3.71Å; D560-R711 PolarHBondContact OD1-NE 3.48Å; D560-R711 IonicContact OD1-NH2 2.72Å; D560-R711 IonicContact OD2-CZ 3.14Å; D560-R711 IonicContact OD2-NE 3.66Å; D560-R711 IonicContact OD2-NH2 4Å; D560-R711 PolarHBondContact OD2-NH2 3.08Å; I561-R711 CarbonylContact O-C 3.53Å; I561-R711 VanDerWaalsContact O-CA 3.22Å; I561-R711 WeakPolarHBondContact O-CA 3.34Å; I561-R711 WeakPolarHBondContact O-CG 3.45Å; A562-R711 HydrophobicContact CB-CB 4.23Å; A562-R711 HydrophobicContact CB-CG 3.93Å; L591-R711 HydrophobicContact CB-CB 4.23Å; L591-R711 HydrophobicContact CB-CG 4.07Å; L591-R711 HydrophobicContact CD1-CG 4.12Å; L591-R711 PolarHBondContact N-O 3.47Å; E592-R711 HydrophobicContact CB-CB 3.81Å; E592-R711 VanDerWaalsContact CD-CD 3.43Å; E592-R711 HydrophobicContact CG-CB 3.95Å; E592-R711 PolarHBondContact N-O 2.92Å; E592-R711 WeakPolarHBondContact OE1-CD 3.39Å; E592-R711 IonicContact OE1-CZ 3.52Å; E592-R711 IonicContact OE1-NE 2.77Å; E592-R711 IonicContact OE1-NH1 2.85Å; E592-R711 PolarHBondContact OE1-NH1 3.19Å
712	V	95.5	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.6	-175.6	171.4	0	0	0	0	111.3	I561 A588 C589 M590 V596 L598 L707 V714	I561-V712 PolarHBondContact N-O 3.4Å; I561-V712 PolarHBondContact O-N 2.78Å; A588-V712 HydrophobicContact CB-CG1 3.8Å; C589-V712 CarbonylContact O-C 3.57Å; C589-V712 VanDerWaalsContact O-CA 3.27Å; C589-V712 WeakPolarHBondContact O-CA 3.49Å; M590-V712 HydrophobicContact SD-CG2 3.89Å; V596-V712 HydrophobicContact CG2-CG2 4.01Å; L598-V712 HydrophobicContact CD2-CG1 4.15Å; L707-V712 HydrophobicContact CD2-CB 4.4Å; L707-V712 HydrophobicContact CD2-CG2 3.65Å; V712-V714 HydrophobicContact CG1-CG2 4.04Å
713	E	95.4	Very high	92.6	Very high	64 Å²	64	38.4 Å²	38.4	30%	0.299	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.3	162.2	-178.5	178.2	-165.7	0	0	110.6	T559 A588 C589 L591 K719	T559-E713 CarbonylContact O-C 3.55Å; T559-E713 WeakPolarHBondContact O-CA 3.09Å; A588-E713 CarbonylContact C-O 2.92Å; A588-E713 WeakPolarHBondContact CA-O 3.46Å; C589-E713 PolarHBondContact N-O 3.12Å; C589-E713 PolarHBondContact O-N 3.49Å; L591-E713 HydrophobicContact CD1-CB 4.04Å; L591-E713 HydrophobicContact CD2-CB 4.5Å; L591-E713 HydrophobicContact CG-CB 4.4Å; E713-K719 IonicContact OE1-NZ 3.06Å; E713-K719 PolarHBondContact OE1-NZ 2.93Å
714	V	96.2	Very high	92.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	177.9	-169.2	0	0	0	0	109.9	T559 I561 Y586 E587 A588 V705 V712 F716	T559-V714 WeakPolarHBondContact CB-O 3.48Å; T559-V714 PolarHBondContact O-N 3.41Å; I561-V714 HydrophobicContact CD1-CG2 3.73Å; Y586-V714 HydrophobicContact CD2-CG1 3.59Å; Y586-V714 HydrophobicContact CE2-CG1 3.79Å; E587-V714 CarbonylContact O-C 3.58Å; E587-V714 WeakPolarHBondContact O-CA 3.43Å; E587-V714 WeakPolarHBondContact O-CG1 3.34Å; A588-V714 HydrophobicContact CB-CG2 4.25Å; V705-V714 HydrophobicContact CG2-CG2 4.03Å; V712-V714 HydrophobicContact CG1-CG2 4.04Å; V714-F716 HydrophobicContact CB-CE1 4.39Å; V714-F716 HydrophobicContact CB-CE2 4.34Å; V714-F716 HydrophobicContact CB-CZ 3.98Å; V714-F716 HydrophobicContact CG1-CD1 4Å; V714-F716 HydrophobicContact CG1-CE1 3.41Å; V714-F716 VanDerWaalsContact CG1-CE1 3.41Å; V714-F716 HydrophobicContact CG1-CE2 4.14Å; V714-F716 HydrophobicContact CG1-CZ 3.49Å; V714-F716 VanDerWaalsContact CG1-CZ 3.49Å
715	N	95.3	Very high	91.5	Very high	16 Å²	16	43.4 Å²	43.4	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.2	172.7	179.3	15.2	0	0	0	110	E587 G717 K719 F721	E587-N715 HydrophobicContact CB-CB 4.34Å; E587-N715 PolarHBondContact N-O 3.02Å; E587-N715 PolarHBondContact O-N 3.11Å; N715-G717 PolarHBondContact OD1-N 3.41Å; N715-K719 PolarHBondContact ND2-O 3.05Å; N715-K719 PolarHBondContact OD1-N 2.77Å; N715-K719 PolarHBondContact OD1-O 2.88Å; N715-F721 WeakPolarHBondContact ND2-CD1 3.5Å
716	F	94.8	Very high	90.6	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	27%	0.265	C	S	.	.			trans	-88.4	-7.8	-178.3	-61.2	-64	0	0	0	114.2	W541 M543 T574 P703 V714 V738 S739	W541-F716 HydrophobicContact CB-CB 3.64Å; W541-F716 HydrophobicContact CB-CD1 4.35Å; W541-F716 HydrophobicContact CB-CD2 3.77Å; W541-F716 HydrophobicContact CB-CG 3.65Å; W541-F716 HydrophobicContact CG-CB 4.34Å; W541-F716 WeakPolarHBondContact O-CD2 3.37Å; W541-F716 WeakPolarHBondContact O-CE2 3.39Å; M543-F716 HydrophobicContact CG-CZ 4.36Å; M543-F716 HydrophobicContact SD-CZ 3.97Å; T574-F716 HydrophobicContact CG2-CE1 3.53Å; T574-F716 HydrophobicContact CG2-CZ 3.53Å; P703-F716 HydrophobicContact CB-CE1 4.11Å; V714-F716 HydrophobicContact CB-CE1 4.39Å; V714-F716 HydrophobicContact CB-CE2 4.34Å; V714-F716 HydrophobicContact CB-CZ 3.98Å; V714-F716 HydrophobicContact CG1-CD1 4Å; V714-F716 HydrophobicContact CG1-CE1 3.41Å; V714-F716 VanDerWaalsContact CG1-CE1 3.41Å; V714-F716 HydrophobicContact CG1-CE2 4.14Å; V714-F716 HydrophobicContact CG1-CZ 3.49Å; V714-F716 VanDerWaalsContact CG1-CZ 3.49Å; F716-V738 HydrophobicContact CB-CG2 3.69Å; F716-V738 HydrophobicContact CD1-CG2 3.68Å; F716-V738 HydrophobicContact CG-CG2 4.12Å; F716-V738 WeakPolarHBondContact O-CG2 3.33Å; F716-V738 PolarHBondContact O-N 3.44Å; F716-S739 PolarHBondContact O-N 2.88Å; F716-S739 VanDerWaalsContact O-N 3.08Å; F716-S739 PolarHBondContact O-OG 3.36Å
717	G	89.8	Confident	89.4	Confident	7 Å²	7	54.9 Å²	54.9	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	125.6	-12.8	-179.1	0	0	0	0	0	114.8	N715 K719 S739	N715-G717 PolarHBondContact OD1-N 3.41Å; G717-K719 CarbonylContact C-O 3.58Å; G717-K719 PolarHBondContact O-N 3.45Å; G717-S739 WeakPolarHBondContact CA-OG 3.37Å
718	D	84	Confident	88	Confident	85 Å²	85	59.6 Å²	59.6	46%	0.455	31%	0.311	S	S	.	.	S	Bend	trans	-71.5	-21.5	-177.9	-51.1	-52.8	0	0	0	112.8	S739	D718-S739 WeakPolarHBondContact OD1-CB 3.39Å; D718-S739 PolarHBondContact OD1-OG 3.27Å; D718-S739 VanDerWaalsContact OD1-OG 3.13Å
719	K	87.6	Confident	87	Confident	102 Å²	102	58.1 Å²	58.1	44%	0.443	31%	0.305	S	S	.	.	S	Bend	trans	-108.1	148.7	166.5	-54.7	176	-168.7	177.4	0	108.5	E713 N715 G717 F721	E713-K719 IonicContact OE1-NZ 3.06Å; E713-K719 PolarHBondContact OE1-NZ 2.93Å; N715-K719 PolarHBondContact ND2-O 3.05Å; N715-K719 PolarHBondContact OD1-N 2.77Å; N715-K719 PolarHBondContact OD1-O 2.88Å; G717-K719 CarbonylContact C-O 3.58Å; G717-K719 PolarHBondContact O-N 3.45Å; K719-F721 PolarHBondContact O-N 3.36Å
720	P	88.3	Confident	85.8	Confident	124 Å²	124	60.6 Å²	60.6	81%	0.805	32%	0.317	S	S	*	.			trans	-52.4	130.7	171.1	-25.9	34.9	0	0	0	111.8
721	F	91.7	Very high	84.3	Confident	43 Å²	43	63.4 Å²	63.4	19%	0.189	33%	0.334	C	S	.	.			trans	-65.1	149.2	175.2	-65.4	-60.3	0	0	0	111.8	Y585 E587 N715 K719 P724 A737	Y585-F721 HydrophobicContact CD1-CD2 4.16Å; Y585-F721 HydrophobicContact CD1-CE1 4.06Å; Y585-F721 AromaticContact CD1-CE2 3.67Å; Y585-F721 HydrophobicContact CD1-CE2 3.67Å; Y585-F721 AromaticContact CD1-CZ 3.6Å; Y585-F721 HydrophobicContact CD1-CZ 3.6Å; Y585-F721 AromaticContact CE1-CD1 3.83Å; Y585-F721 HydrophobicContact CE1-CD1 3.83Å; Y585-F721 AromaticContact CE1-CD2 3.8Å; Y585-F721 HydrophobicContact CE1-CD2 3.8Å; Y585-F721 AromaticContact CE1-CE1 3.79Å; Y585-F721 HydrophobicContact CE1-CE1 3.79Å; Y585-F721 AromaticContact CE1-CE2 3.77Å; Y585-F721 HydrophobicContact CE1-CE2 3.77Å; Y585-F721 AromaticContact CE1-CG 3.83Å; Y585-F721 HydrophobicContact CE1-CG 3.83Å; Y585-F721 AromaticContact CE1-CZ 3.75Å; Y585-F721 HydrophobicContact CE1-CZ 3.75Å; E587-F721 HydrophobicContact CB-CD1 4.06Å; E587-F721 HydrophobicContact CB-CE1 4.41Å; E587-F721 HydrophobicContact CG-CB 4.45Å; E587-F721 HydrophobicContact CG-CD1 3.6Å; E587-F721 HydrophobicContact CG-CE1 4.22Å; E587-F721 HydrophobicContact CG-CG 4.36Å; E587-F721 WeakPolarHBondContact OE2-CA 3.14Å; N715-F721 WeakPolarHBondContact ND2-CD1 3.5Å; K719-F721 PolarHBondContact O-N 3.36Å; F721-P724 HydrophobicContact CB-CB 4.19Å; F721-A737 HydrophobicContact CE2-CB 3.77Å; F721-A737 HydrophobicContact CZ-CB 3.68Å
722	N	89.4	Confident	82.7	Confident	106 Å²	106	66.3 Å²	66.3	57%	0.567	36%	0.356	S	S	*	.	S	Bend	trans	-72.9	-40.5	175.4	-60	-86.5	0	0	0	110.8	E587 V655	E587-N722 PolarHBondContact OE1-N 2.88Å; E587-N722 VanDerWaalsContact OE1-N 3.16Å; E587-N722 PolarHBondContact OE2-N 3.4Å; E587-N722 PolarHBondContact OE2-ND2 2.85Å; V655-N722 HydrophobicContact CG2-CB 4.32Å
723	F	90.7	Very high	81.3	Confident	67 Å²	67	69.7 Å²	69.7	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-130.8	62.7	-176.9	-60.4	-76.4	0	0	0	111.3	Y585 E587 V655 N680 G681	Y585-F723 PolarHBondContact OH-O 3.06Å; E587-F723 WeakPolarHBondContact OE1-CA 3.11Å; E587-F723 PolarHBondContact OE1-N 3.21Å; V655-F723 HydrophobicContact CB-CD2 3.79Å; V655-F723 HydrophobicContact CB-CE2 3.79Å; V655-F723 HydrophobicContact CG1-CD2 4.06Å; V655-F723 HydrophobicContact CG2-CD2 4.23Å; V655-F723 HydrophobicContact CG2-CE2 3.9Å; N680-F723 HydrophobicContact CB-CE2 4.37Å; N680-F723 HydrophobicContact CB-CZ 4.19Å; N680-F723 WeakPolarHBondContact O-CE1 3.36Å; G681-F723 VanDerWaalsContact CA-CB 3.49Å
724	P	86.4	Confident	80.6	Confident	67 Å²	67	74.4 Å²	74.4	44%	0.435	39%	0.392	S	S	.	.			trans	-54	143.3	-176.4	22.4	-34.2	0	0	0	112.2	F721 K726	F721-P724 HydrophobicContact CB-CB 4.19Å; P724-K726 WeakPolarHBondContact O-CG 3.29Å; P724-K726 PolarHBondContact O-N 3.29Å
725	P	83.9	Confident	80.1	Confident	39 Å²	39	76.3 Å²	76.3	25%	0.253	40%	0.399	S	S	.	.			trans	-57.1	122.1	-172.4	-28.2	36.6	0	0	0	113.9	Y585 Y659 W735	Y585-P725 HydrophobicContact CD1-CG 3.47Å; Y585-P725 VanDerWaalsContact CD1-CG 3.47Å; Y585-P725 HydrophobicContact CD2-CG 4.03Å; Y585-P725 HydrophobicContact CE1-CG 3.62Å; Y585-P725 HydrophobicContact CE2-CG 4.15Å; Y585-P725 HydrophobicContact CG-CG 3.66Å; Y659-P725 HydrophobicContact CE1-CB 4.1Å; Y659-P725 HydrophobicContact CE1-CG 3.95Å; P725-W735 HydrophobicContact CB-CB 3.89Å; P725-W735 HydrophobicContact CB-CG 3.68Å; P725-W735 HydrophobicContact CG-CB 3.97Å; P725-W735 HydrophobicContact CG-CG 4.07Å
726	K	77.6	Confident	79.9	Confident	184 Å²	184	77.9 Å²	77.9	80%	0.8	41%	0.409	S	S	*	.			trans	-99.7	-9.2	179.2	-60.1	177.9	-174.2	168.4	0	113.7	P724	P724-K726 WeakPolarHBondContact O-CG 3.29Å; P724-K726 PolarHBondContact O-N 3.29Å
727	T	69.6	Low	79.7	Confident	59 Å²	59	78.2 Å²	78.2	36%	0.362	41%	0.413	S	S	.	.	S	Bend	trans	-99.7	152	-177.1	51.2	0	0	0	0	111.4	L683 W735	L683-T727 HydrophobicContact CD2-CG2 3.94Å; T727-W735 PolarHBondContact O-NE1 2.73Å
728	T	65.4	Low	79.9	Confident	98 Å²	98	77.9 Å²	77.9	60%	0.601	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-84.5	131.6	169.7	-38.7	0	0	0	0	109.9
729	P	69.3	Low	80.1	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.032	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-49.8	157.4	163.1	-26.1	31.6	0	0	0	113.5	A583 E661 T731 N732 K733 W735	A583-P729 HydrophobicContact CB-CB 3.73Å; A583-P729 HydrophobicContact CB-CG 3.45Å; A583-P729 VanDerWaalsContact CB-CG 3.45Å; E661-P729 WeakPolarHBondContact OE2-CB 3.17Å; P729-T731 PolarHBondContact O-N 3.28Å; P729-N732 PolarHBondContact O-N 3.22Å; P729-N732 VanDerWaalsContact O-N 3.14Å; P729-K733 WeakPolarHBondContact CD-O 3.41Å; P729-K733 VanDerWaalsContact CG-O 3.27Å; P729-K733 WeakPolarHBondContact CG-O 3.36Å; P729-W735 HydrophobicContact CB-CZ2 4.31Å; P729-W735 HydrophobicContact CG-CD2 3.8Å; P729-W735 HydrophobicContact CG-CE3 4.38Å; P729-W735 HydrophobicContact CG-CG 4Å; P729-W735 HydrophobicContact CG-CZ2 3.99Å
730	L	64	Low	80.3	Confident	127 Å²	127	77.5 Å²	77.5	67%	0.665	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31	-178.9	-75	90.7	0	0	0	112.2	E661 N732	E661-L730 PolarHBondContact OE2-N 3.34Å; L730-N732 VanDerWaalsContact C-N 3.33Å; L730-N732 PolarHBondContact O-N 2.82Å
731	T	60.7	Low	80.3	Confident	60 Å²	60	71.9 Å²	71.9	37%	0.368	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	11	177	47.9	0	0	0	0	116.1	E661 N663 P729 K733	E661-T731 VanDerWaalsContact OE1-CB 3.31Å; E661-T731 WeakPolarHBondContact OE1-CB 3.11Å; E661-T731 WeakPolarHBondContact OE1-CG2 3.36Å; E661-T731 PolarHBondContact OE1-N 3.18Å; E661-T731 PolarHBondContact OE1-OG1 2.94Å; N663-T731 WeakPolarHBondContact OD1-CG2 3.45Å; P729-T731 PolarHBondContact O-N 3.28Å; T731-K733 PolarHBondContact O-N 3.16Å
732	N	61.9	Low	80	Confident	137 Å²	137	72.9 Å²	72.9	73%	0.733	38%	0.378	S	S	*	.	S	Bend	trans	56.4	13.6	-175.1	-73.3	-41.4	0	0	0	115	P729 L730	P729-N732 PolarHBondContact O-N 3.22Å; P729-N732 VanDerWaalsContact O-N 3.14Å; L730-N732 VanDerWaalsContact C-N 3.33Å; L730-N732 PolarHBondContact O-N 2.82Å
733	K	66	Low	79.6	Confident	71 Å²	71	74.8 Å²	74.8	31%	0.309	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-69.8	167.8	165.7	-64.6	176	-173.7	167.7	0	109.5	P581 P729 T731	P581-K733 PolarHBondContact O-NZ 3.29Å; P729-K733 WeakPolarHBondContact CD-O 3.41Å; P729-K733 VanDerWaalsContact CG-O 3.27Å; P729-K733 WeakPolarHBondContact CG-O 3.36Å; T731-K733 PolarHBondContact O-N 3.16Å
734	H	79.9	Confident	79.3	Confident	163 Å²	163	77 Å²	77	76%	0.755	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-87.7	149.2	165.1	-64.6	-72.3	0	0	0	110.3	V736	H734-V736 PolarHBondContact O-N 3.29Å
735	W	86.9	Confident	79.3	Confident	41 Å²	41	74.2 Å²	74.2	16%	0.155	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-64.2	130.8	166.4	-70.5	108.6	0	0	0	109.7	A583 Y584 Y659 P725 T727 P729	A583-W735 HydrophobicContact CB-CD2 4.27Å; A583-W735 HydrophobicContact CB-CE3 3.7Å; A583-W735 HydrophobicContact CB-CH2 4.41Å; A583-W735 HydrophobicContact CB-CZ3 3.78Å; Y584-W735 WeakPolarHBondContact O-CZ3 3.3Å; Y659-W735 AromaticContact CD1-CD2 3.87Å; Y659-W735 HydrophobicContact CD1-CD2 3.87Å; Y659-W735 AromaticContact CD1-CE2 3.72Å; Y659-W735 AromaticContact CD1-CE3 3.88Å; Y659-W735 HydrophobicContact CD1-CE3 3.88Å; Y659-W735 AromaticContact CD1-CH2 3.78Å; Y659-W735 HydrophobicContact CD1-CH2 3.78Å; Y659-W735 AromaticContact CD1-CZ2 3.7Å; Y659-W735 HydrophobicContact CD1-CZ2 3.7Å; Y659-W735 AromaticContact CD1-CZ3 3.85Å; Y659-W735 HydrophobicContact CD1-CZ3 3.85Å; Y659-W735 HydrophobicContact CE1-CD2 4.36Å; Y659-W735 HydrophobicContact CE1-CZ2 4.47Å; Y659-W735 HydrophobicContact CG-CH2 4.21Å; Y659-W735 HydrophobicContact CG-CZ2 4.43Å; Y659-W735 HydrophobicContact CG-CZ3 4.36Å; P725-W735 HydrophobicContact CB-CB 3.89Å; P725-W735 HydrophobicContact CB-CG 3.68Å; P725-W735 HydrophobicContact CG-CB 3.97Å; P725-W735 HydrophobicContact CG-CG 4.07Å; T727-W735 PolarHBondContact O-NE1 2.73Å; P729-W735 HydrophobicContact CB-CZ2 4.31Å; P729-W735 HydrophobicContact CG-CD2 3.8Å; P729-W735 HydrophobicContact CG-CE3 4.38Å; P729-W735 HydrophobicContact CG-CG 4Å; P729-W735 HydrophobicContact CG-CZ2 3.99Å
736	V	89.4	Confident	79.4	Confident	49 Å²	49	73.8 Å²	73.8	30%	0.297	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	175.8	-169	0	0	0	0	107.9	A583 Y584 Y585 H734 Y740	A583-V736 PolarHBondContact O-N 2.75Å; Y584-V736 CarbonylContact C-O 3.58Å; Y584-V736 VanDerWaalsContact CA-O 3.3Å; Y584-V736 WeakPolarHBondContact CA-O 3.23Å; Y584-V736 HydrophobicContact CD1-CB 4.44Å; Y585-V736 PolarHBondContact N-O 3.33Å; H734-V736 PolarHBondContact O-N 3.29Å; V736-Y740 WeakPolarHBondContact CG1-O 3.41Å
737	A	92.1	Very high	79.9	Confident	9 Å²	9	67.1 Å²	67.1	7%	0.074	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	147.1	170	0	0	0	0	0	109.6	Y585 F721 S739 Y740 A741	Y585-A737 CarbonylContact O-C 3.58Å; Y585-A737 WeakPolarHBondContact O-CA 3.35Å; F721-A737 HydrophobicContact CE2-CB 3.77Å; F721-A737 HydrophobicContact CZ-CB 3.68Å; A737-S739 PolarHBondContact O-N 3.02Å; A737-Y740 HydrophobicContact CB-CD2 3.73Å; A737-Y740 HydrophobicContact CB-CE2 4.29Å; A737-Y740 PolarHBondContact O-N 3.3Å; A737-A741 PolarHBondContact O-N 2.99Å
738	V	92.7	Very high	80.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32.2	178.3	-56.6	0	0	0	0	111.7	W541 L578 Y585 Y586 W600 P703 F716 Y740 A741	W541-V738 HydrophobicContact CD2-CB 4.19Å; W541-V738 HydrophobicContact CD2-CG2 3.8Å; W541-V738 HydrophobicContact CE3-CB 4Å; W541-V738 HydrophobicContact CE3-CG2 3.58Å; W541-V738 HydrophobicContact CG-CG2 4.34Å; W541-V738 HydrophobicContact CH2-CB 3.99Å; W541-V738 HydrophobicContact CH2-CG2 4.48Å; W541-V738 HydrophobicContact CZ2-CB 4.15Å; W541-V738 VanDerWaalsContact CZ2-O 3.23Å; W541-V738 WeakPolarHBondContact CZ2-O 3.38Å; W541-V738 HydrophobicContact CZ3-CB 3.9Å; W541-V738 HydrophobicContact CZ3-CG2 3.96Å; W541-V738 PolarHBondContact NE1-O 3.28Å; W541-V738 VanDerWaalsContact NE1-O 3.14Å; L578-V738 HydrophobicContact CD1-CB 4.46Å; L578-V738 HydrophobicContact CD1-CG1 3.91Å; Y585-V738 PolarHBondContact O-N 3.45Å; Y586-V738 HydrophobicContact CD1-CG1 4.48Å; W600-V738 HydrophobicContact CH2-CG1 3.81Å; W600-V738 HydrophobicContact CZ3-CG1 4.41Å; P703-V738 HydrophobicContact CG-CG1 4.39Å; F716-V738 HydrophobicContact CB-CG2 3.69Å; F716-V738 HydrophobicContact CD1-CG2 3.68Å; F716-V738 HydrophobicContact CG-CG2 4.12Å; F716-V738 WeakPolarHBondContact O-CG2 3.33Å; F716-V738 PolarHBondContact O-N 3.44Å; V738-Y740 PolarHBondContact O-N 2.97Å; V738-A741 VanDerWaalsContact O-CB 3.23Å; V738-A741 WeakPolarHBondContact O-CB 3.37Å; V738-A741 PolarHBondContact O-N 3.22Å; V738-A741 VanDerWaalsContact O-N 3.1Å
739	S	89.6	Confident	81.6	Confident	22 Å²	22	66.4 Å²	66.4	15%	0.154	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.3	174.5	70.9	0	0	0	0	115.6	W541 F716 G717 D718 A737	W541-S739 VanDerWaalsContact CD1-CA 3.46Å; F716-S739 PolarHBondContact O-N 2.88Å; F716-S739 VanDerWaalsContact O-N 3.08Å; F716-S739 PolarHBondContact O-OG 3.36Å; G717-S739 WeakPolarHBondContact CA-OG 3.37Å; D718-S739 WeakPolarHBondContact OD1-CB 3.39Å; D718-S739 PolarHBondContact OD1-OG 3.27Å; D718-S739 VanDerWaalsContact OD1-OG 3.13Å; A737-S739 PolarHBondContact O-N 3.02Å
740	Y	90	Very high	82.2	Confident	156 Å²	156	74.2 Å²	74.2	61%	0.612	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-103.9	14.6	175	-55.8	-53.6	0	0	0	113.2	V736 A737 V738	V736-Y740 WeakPolarHBondContact CG1-O 3.41Å; A737-Y740 HydrophobicContact CB-CD2 3.73Å; A737-Y740 HydrophobicContact CB-CE2 4.29Å; A737-Y740 PolarHBondContact O-N 3.3Å; V738-Y740 PolarHBondContact O-N 2.97Å
741	A	88.3	Confident	82.9	Confident	6 Å²	6	70.7 Å²	70.7	5%	0.05	36%	0.356	C	S	.	.			trans	-64	138.5	174.6	0	0	0	0	0	111.3	W541 L578 Y584 A737 V738 I746	W541-A741 HydrophobicContact CZ2-CB 4.47Å; L578-A741 HydrophobicContact CD2-CB 3.58Å; Y584-A741 HydrophobicContact CD1-CB 4.09Å; Y584-A741 HydrophobicContact CE1-CB 3.72Å; A737-A741 PolarHBondContact O-N 2.99Å; V738-A741 VanDerWaalsContact O-CB 3.23Å; V738-A741 WeakPolarHBondContact O-CB 3.37Å; V738-A741 PolarHBondContact O-N 3.22Å; V738-A741 VanDerWaalsContact O-N 3.1Å; A741-I746 HydrophobicContact CB-CD1 4.39Å; A741-I746 HydrophobicContact CB-CG1 4.23Å
742	P	85.9	Confident	83.7	Confident	65 Å²	65	69.6 Å²	69.6	42%	0.422	35%	0.349	S	S	.	.			trans	-70.7	138.2	-178.9	28	-33.6	0	0	0	111.2	S744 S745	P742-S744 PolarHBondContact O-N 3.2Å; P742-S745 WeakPolarHBondContact O-CA 3.29Å; P742-S745 WeakPolarHBondContact O-CB 3.48Å; P742-S745 PolarHBondContact O-N 3.09Å
743	N	82.1	Confident	84.8	Confident	145 Å²	145	63.2 Å²	63.2	78%	0.775	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-51.9	-29.2	-174.6	-62.7	1.7	0	0	0	114.7	S745 I746	N743-S745 PolarHBondContact O-N 2.72Å; N743-I746 PolarHBondContact O-N 3.33Å
744	S	84.2	Confident	85.9	Confident	114 Å²	114	60.2 Å²	60.2	80%	0.797	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14.2	175.4	56	0	0	0	0	114.6	P742	P742-S744 PolarHBondContact O-N 3.2Å
745	S	85.4	Confident	86.4	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.063	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-101.8	-14.4	176.7	-56.9	0	0	0	0	113.1	L578 K579 G580 Y584 P742 N743	L578-S745 WeakPolarHBondContact CA-O 3.34Å; K579-S745 PolarHBondContact N-O 2.8Å; G580-S745 WeakPolarHBondContact CA-OG 3.46Å; Y584-S745 WeakPolarHBondContact OH-CB 3.5Å; Y584-S745 PolarHBondContact OH-OG 3.29Å; P742-S745 WeakPolarHBondContact O-CA 3.29Å; P742-S745 WeakPolarHBondContact O-CB 3.48Å; P742-S745 PolarHBondContact O-N 3.09Å; N743-S745 PolarHBondContact O-N 2.72Å
746	I	87.1	Confident	86.7	Confident	30 Å²	30	51.7 Å²	51.7	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.3	-177.6	-64	-180	0	0	0	110.1	W541 W576 G577 L578 A741 N743	W541-I746 HydrophobicContact CZ2-CD1 4.12Å; W541-I746 HydrophobicContact CZ2-CG1 4.22Å; W576-I746 HydrophobicContact CB-CG2 4Å; W576-I746 HydrophobicContact CD2-CG2 4.31Å; W576-I746 HydrophobicContact CG-CG2 3.86Å; G577-I746 CarbonylContact O-C 3.58Å; G577-I746 WeakPolarHBondContact O-CA 3.49Å; L578-I746 HydrophobicContact CD2-CG1 4.43Å; A741-I746 HydrophobicContact CB-CD1 4.39Å; A741-I746 HydrophobicContact CB-CG1 4.23Å; N743-I746 PolarHBondContact O-N 3.33Å
747	V	87.4	Confident	86.7	Confident	44 Å²	44	49.3 Å²	49.3	27%	0.267	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.6	174.9	179.1	0	0	0	0	108.6	G577 K579 A700 F702	G577-V747 PolarHBondContact N-O 3.18Å; G577-V747 PolarHBondContact O-N 2.6Å; K579-V747 HydrophobicContact CB-CG2 3.61Å; K579-V747 HydrophobicContact CD-CG2 4Å; K579-V747 HydrophobicContact CG-CG2 4.44Å; A700-V747 HydrophobicContact CB-CB 3.66Å; A700-V747 HydrophobicContact CB-CG1 3.97Å; A700-V747 HydrophobicContact CB-CG2 3.86Å; F702-V747 WeakPolarHBondContact CE1-O 3.47Å; F702-V747 HydrophobicContact CZ-CG1 4.43Å
748	Y	84.9	Confident	86.4	Confident	136 Å²	136	51.8 Å²	51.8	53%	0.533	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	144.3	178.1	-67.9	-103	0	0	0	111.3	W576 R750	W576-Y748 AromaticContact CD1-CD1 3.72Å; W576-Y748 AromaticContact CD1-CE1 3.98Å; W576-Y748 HydrophobicContact CZ2-CE1 4.48Å; W576-Y748 AromaticContact NE1-CD1 3.31Å; W576-Y748 VanDerWaalsContact NE1-CD1 3.31Å; W576-Y748 AromaticContact NE1-CE1 3.12Å; W576-Y748 AromaticContact NE1-CZ 3.69Å; Y748-R750 PolarHBondContact O-N 2.72Å
749	N	85.2	Confident	86.2	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.032	29%	0.289	C	S	.	.			trans	-63.2	134.7	169.7	-169.5	-28.3	0	0	0	108.5	D547 T574 N575 N603 F702 N751 V752	D547-N749 PolarHBondContact OD2-ND2 2.81Å; T574-N749 WeakPolarHBondContact O-CB 3.14Å; T574-N749 PolarHBondContact O-ND2 2.67Å; N575-N749 WeakPolarHBondContact O-CB 3.49Å; N575-N749 PolarHBondContact O-N 3.04Å; N603-N749 PolarHBondContact OD1-OD1 2.74Å; F702-N749 HydrophobicContact CD1-CB 4.2Å; F702-N749 HydrophobicContact CE1-CB 3.77Å; N749-N751 PolarHBondContact O-N 2.77Å; N749-N751 PolarHBondContact OD1-N 2.86Å; N749-V752 WeakPolarHBondContact O-CG1 3.49Å
750	R	82	Confident	86.3	Confident	169 Å²	169	55.9 Å²	55.9	64%	0.638	29%	0.285	S	S	*	.	S	Bend	trans	-65.7	-33.3	177	-67.2	-175.2	-164.6	141.1	4.4	111.2	N603 D604 Y748 V752	N603-R750 PolarHBondContact ND2-N 2.98Å; D604-R750 IonicContact OD1-CZ 3.79Å; D604-R750 IonicContact OD1-NH1 3.65Å; D604-R750 PolarHBondContact OD1-NH1 2.82Å; D604-R750 IonicContact OD1-NH2 3.66Å; Y748-R750 PolarHBondContact O-N 2.72Å; R750-V752 PolarHBondContact O-N 2.84Å
751	N	80.4	Confident	86.4	Confident	53 Å²	53	49.5 Å²	49.5	28%	0.283	26%	0.262	S	S	.	.			trans	-88	84.7	178.4	-170.3	7.4	0	0	0	110.3	S544 A546 D547 N749	S544-N751 PolarHBondContact OG-O 2.85Å; A546-N751 WeakPolarHBondContact CB-O 3.39Å; A546-N751 PolarHBondContact O-ND2 2.98Å; A546-N751 PolarHBondContact O-OD1 2.76Å; D547-N751 WeakPolarHBondContact CA-ND2 3.44Å; D547-N751 HydrophobicContact CB-CB 4.11Å; D547-N751 WeakPolarHBondContact OD1-CB 3.47Å; D547-N751 PolarHBondContact OD1-ND2 3.47Å; N749-N751 PolarHBondContact O-N 2.77Å; N749-N751 PolarHBondContact OD1-N 2.86Å
752	V	77.1	Confident	86.5	Confident	37 Å²	37	52.4 Å²	52.4	22%	0.224	28%	0.279	C	S	.	.			trans	-88.8	-9.8	175.5	-56.3	0	0	0	0	113.4	N749 R750 R755 W951	N749-V752 WeakPolarHBondContact O-CG1 3.49Å; R750-V752 PolarHBondContact O-N 2.84Å; V752-R755 HydrophobicContact CB-CG 3.94Å; V752-R755 HydrophobicContact CG2-CB 4.23Å; V752-R755 HydrophobicContact CG2-CG 3.68Å; V752-R755 WeakPolarHBondContact O-CG 3.41Å; V752-R755 PolarHBondContact O-NE 2.77Å; V752-R755 VanDerWaalsContact O-NE 3.16Å; V752-W951 HydrophobicContact CG2-CH2 3.87Å; V752-W951 HydrophobicContact CG2-CZ2 3.46Å; V752-W951 VanDerWaalsContact CG2-CZ2 3.46Å
753	G	84.4	Confident	86.5	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	27%	0.269	C	S	.	.			trans	76.4	-143.1	-177.9	0	0	0	0	0	112.9	A546 N790	A546-G753 VanDerWaalsContact CB-CA 3.41Å; G753-N790 PolarHBondContact O-ND2 3.19Å; G753-N790 PolarHBondContact O-OD1 2.7Å
754	W	90	Very high	86.4	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.027	26%	0.264	C	S	.	.	S	Bend	trans	-85.2	112.5	179	-70.9	79.3	0	0	0	110.1	V789 K791 I793 P908 Y921 L937 A940 V945	W754-V789 HydrophobicContact CE3-CG1 3.89Å; W754-K791 HydrophobicContact CD2-CB 4.01Å; W754-K791 HydrophobicContact CD2-CD 4.47Å; W754-K791 HydrophobicContact CE3-CB 3.79Å; W754-K791 HydrophobicContact CH2-CB 3.81Å; W754-K791 HydrophobicContact CZ2-CB 4.06Å; W754-K791 VanDerWaalsContact CZ3-C 3.5Å; W754-K791 HydrophobicContact CZ3-CB 3.7Å; W754-K791 WeakPolarHBondContact CZ3-O 3.34Å; W754-I793 HydrophobicContact CH2-CG1 4.49Å; W754-I793 HydrophobicContact CH2-CG2 3.99Å; W754-I793 HydrophobicContact CZ2-CG2 4.32Å; W754-P908 HydrophobicContact CE3-CG 4.35Å; W754-P908 HydrophobicContact CZ3-CG 4.14Å; W754-Y921 HydrophobicContact CB-CD1 4.16Å; W754-Y921 HydrophobicContact CB-CD2 3.57Å; W754-Y921 HydrophobicContact CB-CE2 4.22Å; W754-Y921 HydrophobicContact CB-CG 3.52Å; W754-Y921 HydrophobicContact CG-CG 4.34Å; W754-Y921 WeakPolarHBondContact O-CD2 3.35Å; W754-Y921 WeakPolarHBondContact O-CE2 3.38Å; W754-L937 HydrophobicContact CD2-CB 4.18Å; W754-L937 VanDerWaalsContact CE2-O 3.27Å; W754-L937 HydrophobicContact CE3-CB 4.29Å; W754-L937 HydrophobicContact CE3-CD1 4.24Å; W754-L937 HydrophobicContact CH2-CD2 4.01Å; W754-L937 HydrophobicContact CZ2-CB 4.35Å; W754-L937 HydrophobicContact CZ2-CD2 4.43Å; W754-L937 WeakPolarHBondContact CZ2-O 3.4Å; W754-L937 HydrophobicContact CZ3-CB 4.45Å; W754-L937 HydrophobicContact CZ3-CD1 4.16Å; W754-L937 HydrophobicContact CZ3-CD2 4.19Å; W754-L937 PolarHBondContact NE1-O 3.14Å; W754-A940 HydrophobicContact CZ2-CB 4.45Å; W754-V945 HydrophobicContact CH2-CG1 4.26Å; W754-V945 HydrophobicContact CZ2-CG1 3.76Å; W754-V945 HydrophobicContact CZ2-CG2 3.95Å
755	R	90.2	Very high	86.2	Confident	22 Å²	22	47.6 Å²	47.6	8%	0.083	25%	0.254	C	S	.	.			trans	-144.2	148.9	-170.3	-64.6	-61.7	-178.1	-102	6.1	112.1	V752 N757 N772 V789 N790 D923	V752-R755 HydrophobicContact CB-CG 3.94Å; V752-R755 HydrophobicContact CG2-CB 4.23Å; V752-R755 HydrophobicContact CG2-CG 3.68Å; V752-R755 WeakPolarHBondContact O-CG 3.41Å; V752-R755 PolarHBondContact O-NE 2.77Å; V752-R755 VanDerWaalsContact O-NE 3.16Å; R755-N757 PolarHBondContact O-N 3.04Å; R755-N772 WeakPolarHBondContact CD-O 3.43Å; R755-N772 PolarHBondContact NE-O 3.36Å; R755-V789 CarbonylContact O-C 3.57Å; R755-V789 WeakPolarHBondContact O-CA 3.43Å; R755-V789 WeakPolarHBondContact O-CG1 3.45Å; R755-N790 PolarHBondContact N-OD1 2.98Å; R755-N790 WeakPolarHBondContact O-CB 3.29Å; R755-N790 VanDerWaalsContact O-CG 3.31Å; R755-N790 PolarHBondContact O-N 3Å; R755-N790 PolarHBondContact O-OD1 2.72Å; R755-N790 VanDerWaalsContact O-OD1 3.09Å; R755-D923 IonicContact CZ-OD2 2.97Å; R755-D923 VanDerWaalsContact CZ-OD2 3.26Å; R755-D923 IonicContact NH1-OD1 3.52Å; R755-D923 IonicContact NH1-OD2 2.99Å; R755-D923 PolarHBondContact NH1-OD2 2.99Å; R755-D923 IonicContact NH2-OD2 3.47Å; R755-D923 PolarHBondContact NH2-OD2 2.9Å
756	V	91.5	Very high	86.3	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.7	173.4	175.9	0	0	0	0	109.4	P758 V769 G773 V776 F787 L919	V756-P758 VanDerWaalsContact O-CD 3.28Å; V756-P758 WeakPolarHBondContact O-CD 3.32Å; V756-V769 HydrophobicContact CB-CG1 3.89Å; V756-V769 HydrophobicContact CG1-CG1 3.97Å; V756-V769 HydrophobicContact CG1-CG2 3.73Å; V756-G773 WeakPolarHBondContact CG2-O 3.44Å; V756-G773 PolarHBondContact N-O 3.22Å; V756-G773 VanDerWaalsContact N-O 3.11Å; V756-V776 HydrophobicContact CB-CG2 4.2Å; V756-V776 HydrophobicContact CG1-CG2 3.98Å; V756-V776 HydrophobicContact CG2-CG2 3.4Å; V756-F787 HydrophobicContact CB-CD2 4.33Å; V756-F787 HydrophobicContact CG1-CB 4.11Å; V756-F787 HydrophobicContact CG1-CD2 3.71Å; V756-F787 HydrophobicContact CG1-CE2 4.28Å; V756-F787 HydrophobicContact CG1-CG 3.91Å; V756-F787 HydrophobicContact CG2-CD2 4.04Å; V756-F787 HydrophobicContact CG2-CE2 3.76Å; V756-F787 HydrophobicContact CG2-CZ 4.26Å; V756-L919 HydrophobicContact CG2-CD1 4.33Å
757	N	90.6	Very high	86.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	108.4	-177	-173.2	-6.5	0	0	0	110.3	R755 N759 D760 V761 R788 N790 S948 W951	R755-N757 PolarHBondContact O-N 3.04Å; N757-N759 PolarHBondContact O-N 2.81Å; N757-N759 VanDerWaalsContact O-N 3.09Å; N757-N759 PolarHBondContact OD1-N 3.36Å; N757-N759 VanDerWaalsContact OD1-N 3.13Å; N757-D760 HydrophobicContact CB-CB 4.12Å; N757-D760 CarbonylContact O-C 3.53Å; N757-D760 PolarHBondContact O-N 3.18Å; N757-V761 WeakPolarHBondContact O-CG1 3.44Å; N757-R788 VanDerWaalsContact CB-O 3.32Å; N757-R788 WeakPolarHBondContact CB-O 3.22Å; N757-R788 PolarHBondContact N-O 2.86Å; N757-N790 HydrophobicContact CB-CB 4.32Å; N757-S948 PolarHBondContact ND2-OG 3.22Å; N757-W951 HydrophobicContact CB-CE3 4.35Å
758	P	85.5	Confident	86.5	Confident	61 Å²	61	49.2 Å²	49.2	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-12	-177.5	31	-36.5	0	0	0	113.2	V756 V761	V756-P758 VanDerWaalsContact O-CD 3.28Å; V756-P758 WeakPolarHBondContact O-CD 3.32Å; P758-V761 WeakPolarHBondContact O-CG2 3.34Å
759	N	88.5	Confident	86.6	Confident	97 Å²	97	44.8 Å²	44.8	52%	0.519	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-1.7	174.4	-69.1	-5.2	0	0	0	113.5	N757 K950	N757-N759 PolarHBondContact O-N 2.81Å; N757-N759 VanDerWaalsContact O-N 3.09Å; N757-N759 PolarHBondContact OD1-N 3.36Å; N757-N759 VanDerWaalsContact OD1-N 3.13Å; N759-K950 HydrophobicContact CB-CB 4.26Å; N759-K950 WeakPolarHBondContact CB-O 3.48Å; N759-K950 PolarHBondContact ND2-O 3.1Å
760	D	92	Very high	86.6	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.053	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	51.1	176.6	-155.1	7.5	0	0	0	110.4	N757 F787 R788 K950	N757-D760 HydrophobicContact CB-CB 4.12Å; N757-D760 CarbonylContact O-C 3.53Å; N757-D760 PolarHBondContact O-N 3.18Å; D760-F787 VanDerWaalsContact O-CA 3.3Å; D760-F787 WeakPolarHBondContact O-CA 3.4Å; D760-R788 HydrophobicContact CB-CB 4.45Å; D760-R788 PolarHBondContact O-N 3.32Å; D760-R788 VanDerWaalsContact O-N 3.08Å; D760-R788 IonicContact OD1-CZ 2.86Å; D760-R788 IonicContact OD1-NE 2.9Å; D760-R788 IonicContact OD1-NH2 3.31Å; D760-R788 PolarHBondContact OD1-NH2 3.2Å; D760-R788 IonicContact OD2-CZ 2.72Å; D760-R788 IonicContact OD2-NE 2.86Å; D760-R788 PolarHBondContact OD2-NE 3.38Å; D760-R788 IonicContact OD2-NH2 2.69Å; D760-R788 PolarHBondContact OD2-NH2 3.03Å; D760-K950 HydrophobicContact CB-CD 3.73Å; D760-K950 IonicContact OD1-NZ 3.97Å; D760-K950 PolarHBondContact OD1-NZ 3.47Å; D760-K950 WeakPolarHBondContact OD2-CD 3Å; D760-K950 IonicContact OD2-NZ 3.11Å; D760-K950 PolarHBondContact OD2-NZ 2.92Å
761	V	92.1	Very high	86.3	Confident	23 Å²	23	40.2 Å²	40.2	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.4	175.5	-58.8	0	0	0	0	111.2	N757 P758 S763 L767 G786 F787 L823	N757-V761 WeakPolarHBondContact O-CG1 3.44Å; P758-V761 WeakPolarHBondContact O-CG2 3.34Å; V761-S763 VanDerWaalsContact C-N 3.3Å; V761-S763 PolarHBondContact O-N 3.22Å; V761-L767 HydrophobicContact CB-CD2 4.01Å; V761-L767 HydrophobicContact CG1-CD2 4Å; V761-G786 CarbonylContact C-O 3.57Å; V761-G786 VanDerWaalsContact CA-O 3.31Å; V761-G786 WeakPolarHBondContact CA-O 3.41Å; V761-F787 HydrophobicContact CG1-CB 3.95Å; V761-L823 VanDerWaalsContact C-CD1 3.45Å
762	T	90.1	Very high	86	Confident	66 Å²	66	39 Å²	39	41%	0.405	23%	0.234	S	C	.	.	S	Bend	trans	-62.1	-35.6	176.2	-57.4	0	0	0	0	112.5	G786	T762-G786 PolarHBondContact N-O 2.91Å; T762-G786 PolarHBondContact OG1-N 3.3Å; T762-G786 PolarHBondContact OG1-O 2.9Å
763	S	86	Confident	86.3	Confident	29 Å²	29	37.5 Å²	37.5	20%	0.203	23%	0.226	C	C	.	.			trans	-162	131.3	170.7	164.7	0	0	0	0	111.1	V761 T765 N766 L767	V761-S763 VanDerWaalsContact C-N 3.3Å; V761-S763 PolarHBondContact O-N 3.22Å; S763-T765 PolarHBondContact O-N 3.06Å; S763-T765 PolarHBondContact OG-N 2.96Å; S763-T765 VanDerWaalsContact OG-N 3.16Å; S763-T765 PolarHBondContact OG-OG1 3.07Å; S763-N766 PolarHBondContact O-N 3.12Å; S763-N766 PolarHBondContact OG-N 3.32Å; S763-L767 WeakPolarHBondContact O-CB 3.47Å; S763-L767 PolarHBondContact O-N 3.19Å
764	S	79.5	Confident	86.4	Confident	96 Å²	96	38.3 Å²	38.3	67%	0.671	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.3	175.5	53.8	0	0	0	0	114.3
765	T	81.3	Confident	86.4	Confident	98 Å²	98	39.1 Å²	39.1	60%	0.601	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-23.7	172.2	62.7	0	0	0	0	112.9	S763	S763-T765 PolarHBondContact O-N 3.06Å; S763-T765 PolarHBondContact OG-N 2.96Å; S763-T765 VanDerWaalsContact OG-N 3.16Å; S763-T765 PolarHBondContact OG-OG1 3.07Å
766	N	87	Confident	86.5	Confident	45 Å²	45	38 Å²	38	24%	0.241	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15.1	-173.3	-56.9	-0	0	0	0	112.7	S763 V779 T782 Q785	S763-N766 PolarHBondContact O-N 3.12Å; S763-N766 PolarHBondContact OG-N 3.32Å; N766-V779 WeakPolarHBondContact O-CB 3.14Å; N766-V779 WeakPolarHBondContact O-CG2 3.39Å; N766-V779 PolarHBondContact O-N 3.4Å; N766-T782 HydrophobicContact CB-CG2 3.92Å; N766-Q785 HydrophobicContact CB-CG 3.91Å; N766-Q785 PolarHBondContact ND2-NE2 2.95Å
767	L	89.5	Confident	86.5	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	98.9	175.7	-164.1	63.1	0	0	0	109.2	V761 S763 V776 A778 Q785 G786 F787 L912	V761-L767 HydrophobicContact CB-CD2 4.01Å; V761-L767 HydrophobicContact CG1-CD2 4Å; S763-L767 WeakPolarHBondContact O-CB 3.47Å; S763-L767 PolarHBondContact O-N 3.19Å; L767-V776 HydrophobicContact CD1-CG1 3.42Å; L767-V776 VanDerWaalsContact CD1-CG1 3.42Å; L767-V776 HydrophobicContact CD2-CG1 3.99Å; L767-V776 HydrophobicContact CG-CG1 3.58Å; L767-A778 HydrophobicContact CD1-CB 4.31Å; L767-Q785 HydrophobicContact CB-CB 4.23Å; L767-Q785 HydrophobicContact CD1-CB 3.88Å; L767-Q785 HydrophobicContact CG-CB 4.46Å; L767-G786 WeakPolarHBondContact CD2-O 3.4Å; L767-F787 HydrophobicContact CD2-CB 3.92Å; L767-F787 HydrophobicContact CD2-CD1 4.01Å; L767-F787 HydrophobicContact CD2-CG 4.43Å; L767-L912 HydrophobicContact CD1-CD1 4.03Å; L767-L912 HydrophobicContact CD1-CD2 4.03Å; L767-L912 HydrophobicContact CD1-CG 4.02Å
768	L	88.1	Confident	86.6	Confident	68 Å²	68	38.8 Å²	38.8	36%	0.356	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.9	179.6	-54.8	179.8	0	0	0	109	L536 V776 Q777 V779	L536-L768 HydrophobicContact CD1-CB 3.62Å; L768-V776 CarbonylContact O-C 3.56Å; L768-V776 WeakPolarHBondContact O-CA 3.38Å; L768-Q777 HydrophobicContact CB-CB 4.4Å; L768-Q777 PolarHBondContact N-O 3.34Å; L768-Q777 PolarHBondContact O-N 2.94Å; L768-V779 HydrophobicContact CD1-CG2 3.98Å; L768-V779 HydrophobicContact CD2-CG2 4.3Å; L768-V779 HydrophobicContact CG-CG2 3.79Å
769	V	87.9	Confident	86.5	Confident	44 Å²	44	38.1 Å²	38.1	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134	178.4	-176.8	0	0	0	0	107.7	V756 F775 V776	V756-V769 HydrophobicContact CB-CG1 3.89Å; V756-V769 HydrophobicContact CG1-CG1 3.97Å; V756-V769 HydrophobicContact CG1-CG2 3.73Å; V769-F775 WeakPolarHBondContact CA-O 3.17Å; V769-V776 HydrophobicContact CG2-CG1 4.47Å
770	S	85.4	Confident	85.9	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.028	21%	0.214	C	C	.	.			trans	-63.8	157.1	175.8	55.7	0	0	0	0	111.6	N772 G773 F775	S770-N772 VanDerWaalsContact C-N 3.27Å; S770-N772 PolarHBondContact O-N 2.94Å; S770-N772 PolarHBondContact OG-OD1 2.86Å; S770-G773 WeakPolarHBondContact O-CA 3.48Å; S770-G773 PolarHBondContact O-N 3.49Å; S770-F775 PolarHBondContact N-O 3.26Å; S770-F775 WeakPolarHBondContact OG-CB 3.28Å; S770-F775 PolarHBondContact OG-N 3.46Å; S770-F775 PolarHBondContact OG-O 3.4Å
771	P	75.5	Confident	85	Confident	74 Å²	74	39.4 Å²	39.4	48%	0.481	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.1	178.8	-22.7	33.9	0	0	0	112.7	D539 G773	D539-P771 HydrophobicContact CB-CB 4.1Å; P771-G773 PolarHBondContact O-N 3.04Å; P771-G773 VanDerWaalsContact O-N 3.16Å
772	N	73.9	Confident	84.4	Confident	27 Å²	27	40 Å²	40	14%	0.144	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.1	172.6	51.5	71.6	0	0	0	114.8	D539 R755 S770 R774	D539-N772 VanDerWaalsContact CG-N 3.27Å; D539-N772 WeakPolarHBondContact OD1-CA 3.49Å; D539-N772 WeakPolarHBondContact OD1-CB 3.42Å; D539-N772 VanDerWaalsContact OD1-CG 3.27Å; D539-N772 PolarHBondContact OD1-N 2.9Å; D539-N772 PolarHBondContact OD1-ND2 3.45Å; D539-N772 WeakPolarHBondContact OD2-CA 3.47Å; D539-N772 WeakPolarHBondContact OD2-CB 3.34Å; D539-N772 PolarHBondContact OD2-N 3.08Å; R755-N772 WeakPolarHBondContact CD-O 3.43Å; R755-N772 PolarHBondContact NE-O 3.36Å; S770-N772 VanDerWaalsContact C-N 3.27Å; S770-N772 PolarHBondContact O-N 2.94Å; S770-N772 PolarHBondContact OG-OD1 2.86Å; N772-R774 PolarHBondContact O-N 3.36Å; N772-R774 VanDerWaalsContact O-N 3.13Å; N772-R774 WeakPolarHBondContact OD1-CB 3.25Å; N772-R774 PolarHBondContact OD1-N 3.35Å
773	G	82.8	Confident	84.2	Confident	6 Å²	6	38.3 Å²	38.3	6%	0.062	23%	0.23	C	C	.	.	S	Bend	trans	62	18.8	177	0	0	0	0	0	115.9	V756 S770 P771	V756-G773 WeakPolarHBondContact CG2-O 3.44Å; V756-G773 PolarHBondContact N-O 3.22Å; V756-G773 VanDerWaalsContact N-O 3.11Å; S770-G773 WeakPolarHBondContact O-CA 3.48Å; S770-G773 PolarHBondContact O-N 3.49Å; P771-G773 PolarHBondContact O-N 3.04Å; P771-G773 VanDerWaalsContact O-N 3.16Å
774	R	86.2	Confident	84.3	Confident	21 Å²	21	39 Å²	39	8%	0.079	23%	0.228	C	C	.	.			trans	-105.6	-26.1	176.1	-66	-166.8	-170.1	142.5	-8.6	114.5	R554 N772 E918 L919 D923 L924	R554-R774 VanDerWaalsContact NH2-NH2 3.13Å; N772-R774 PolarHBondContact O-N 3.36Å; N772-R774 VanDerWaalsContact O-N 3.13Å; N772-R774 WeakPolarHBondContact OD1-CB 3.25Å; N772-R774 PolarHBondContact OD1-N 3.35Å; R774-E918 CarbonylContact O-C 3.56Å; R774-E918 WeakPolarHBondContact O-CA 3.32Å; R774-L919 WeakPolarHBondContact O-CD1 3.14Å; R774-L919 PolarHBondContact O-N 3.18Å; R774-D923 IonicContact CZ-OD1 2.72Å; R774-D923 IonicContact CZ-OD2 3.75Å; R774-D923 VanDerWaalsContact CZ-OD2 3.31Å; R774-D923 IonicContact NE-OD1 2.86Å; R774-D923 IonicContact NE-OD2 2.67Å; R774-D923 PolarHBondContact NE-OD2 2.95Å; R774-D923 VanDerWaalsContact NE-OD2 3.11Å; R774-D923 PolarHBondContact NH2-O 2.86Å; R774-D923 VanDerWaalsContact NH2-O 3.08Å; R774-D923 IonicContact NH2-OD1 2.77Å; R774-D923 IonicContact NH2-OD2 3.03Å; R774-D923 PolarHBondContact NH2-OD2 3.33Å; R774-L924 VanDerWaalsContact NH1-CD1 3.33Å
775	F	91	Very high	84.9	Confident	23 Å²	23	35 Å²	35	10%	0.101	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.9	176.1	-69.3	-107.9	0	0	0	110.3	L536 P537 V769 S770 V806 T916 L917 E918	L536-F775 HydrophobicContact CD2-CB 3.61Å; P537-F775 HydrophobicContact CG-CD1 4.26Å; P537-F775 HydrophobicContact CG-CD2 3.97Å; P537-F775 HydrophobicContact CG-CE1 4.07Å; P537-F775 HydrophobicContact CG-CE2 3.79Å; P537-F775 HydrophobicContact CG-CG 4.22Å; P537-F775 HydrophobicContact CG-CZ 3.84Å; V769-F775 WeakPolarHBondContact CA-O 3.17Å; S770-F775 PolarHBondContact N-O 3.26Å; S770-F775 WeakPolarHBondContact OG-CB 3.28Å; S770-F775 PolarHBondContact OG-N 3.46Å; S770-F775 PolarHBondContact OG-O 3.4Å; F775-V806 HydrophobicContact CD1-CG2 4.15Å; F775-V806 HydrophobicContact CE1-CG2 3.98Å; F775-T916 HydrophobicContact CD1-CG2 4.42Å; F775-L917 CarbonylContact C-O 3.52Å; F775-L917 VanDerWaalsContact CA-O 3.29Å; F775-L917 WeakPolarHBondContact CA-O 3.13Å; F775-E918 HydrophobicContact CD1-CB 3.95Å; F775-E918 HydrophobicContact CD1-CG 4.44Å; F775-E918 HydrophobicContact CD2-CG 4.41Å; F775-E918 HydrophobicContact CE1-CB 3.72Å; F775-E918 HydrophobicContact CE1-CG 3.97Å; F775-E918 HydrophobicContact CE2-CB 4.46Å; F775-E918 HydrophobicContact CE2-CG 3.91Å; F775-E918 HydrophobicContact CG-CB 4.43Å; F775-E918 HydrophobicContact CZ-CB 3.99Å; F775-E918 VanDerWaalsContact CZ-CD 3.45Å; F775-E918 HydrophobicContact CZ-CG 3.68Å; F775-E918 WeakPolarHBondContact CZ-OE1 3.46Å
776	V	92.6	Very high	85.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.6	178.3	-171.3	0	0	0	0	109.7	V756 L767 L768 V769 F787 L912 T916 L917 L919	V756-V776 HydrophobicContact CB-CG2 4.2Å; V756-V776 HydrophobicContact CG1-CG2 3.98Å; V756-V776 HydrophobicContact CG2-CG2 3.4Å; L767-V776 HydrophobicContact CD1-CG1 3.42Å; L767-V776 VanDerWaalsContact CD1-CG1 3.42Å; L767-V776 HydrophobicContact CD2-CG1 3.99Å; L767-V776 HydrophobicContact CG-CG1 3.58Å; L768-V776 CarbonylContact O-C 3.56Å; L768-V776 WeakPolarHBondContact O-CA 3.38Å; V769-V776 HydrophobicContact CG2-CG1 4.47Å; V776-F787 HydrophobicContact CB-CE1 4.05Å; V776-F787 HydrophobicContact CG1-CD1 3.95Å; V776-F787 HydrophobicContact CG1-CE1 3.9Å; V776-F787 HydrophobicContact CG2-CD1 4.33Å; V776-F787 HydrophobicContact CG2-CE1 3.86Å; V776-F787 HydrophobicContact CG2-CZ 3.98Å; V776-L912 HydrophobicContact CG1-CD1 4.28Å; V776-L912 HydrophobicContact CG1-CD2 4.22Å; V776-T916 CarbonylContact O-C 3.55Å; V776-T916 VanDerWaalsContact O-CA 3.26Å; V776-T916 WeakPolarHBondContact O-CA 3.46Å; V776-L917 PolarHBondContact N-O 3.3Å; V776-L917 PolarHBondContact O-N 2.87Å; V776-L919 HydrophobicContact CG2-CD1 3.97Å
777	Q	91.9	Very high	86	Confident	19 Å²	19	28.3 Å²	28.3	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119	-176.1	175.8	167.4	101	0	0	110.6	V534 L536 L768 T916	V534-Q777 PolarHBondContact O-NE2 2.93Å; L536-Q777 HydrophobicContact CD1-CB 4.26Å; L536-Q777 HydrophobicContact CD2-CB 3.86Å; L536-Q777 HydrophobicContact CG-CB 4.17Å; L768-Q777 HydrophobicContact CB-CB 4.4Å; L768-Q777 PolarHBondContact N-O 3.34Å; L768-Q777 PolarHBondContact O-N 2.94Å; Q777-T916 HydrophobicContact CB-CG2 4.18Å; Q777-T916 WeakPolarHBondContact CG-OG1 3.45Å; Q777-T916 PolarHBondContact NE2-OG1 2.94Å
778	A	90.9	Very high	86.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.4	171.3	0	0	0	0	0	110	R533 L767 Q785 L912 T915	R533-A778 PolarHBondContact NH1-O 3.08Å; R533-A778 PolarHBondContact NH2-O 2.87Å; L767-A778 HydrophobicContact CD1-CB 4.31Å; A778-Q785 HydrophobicContact CB-CB 4.47Å; A778-L912 HydrophobicContact CB-CD1 3.78Å; A778-L912 HydrophobicContact CB-CG 4Å; A778-T915 PolarHBondContact N-O 3.44Å
779	V	84.6	Confident	86.6	Confident	47 Å²	47	25.2 Å²	25.2	29%	0.285	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-68.6	139.1	176	176.1	0	0	0	0	109.8	N766 L768 T782	N766-V779 WeakPolarHBondContact O-CB 3.14Å; N766-V779 WeakPolarHBondContact O-CG2 3.39Å; N766-V779 PolarHBondContact O-N 3.4Å; L768-V779 HydrophobicContact CD1-CG2 3.98Å; L768-V779 HydrophobicContact CD2-CG2 4.3Å; L768-V779 HydrophobicContact CG-CG2 3.79Å; V779-T782 HydrophobicContact CB-CG2 3.92Å; V779-T782 HydrophobicContact CG1-CG2 3.96Å; V779-T782 WeakPolarHBondContact O-CB 3.45Å; V779-T782 WeakPolarHBondContact O-CG2 3.12Å; V779-T782 PolarHBondContact O-N 3.43Å; V779-T782 PolarHBondContact O-OG1 3.28Å
780	E	76.3	Confident	86.8	Confident	58 Å²	58	23.1 Å²	23.1	27%	0.271	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	137.7	-170	-56.5	-179.3	175.6	0	0	113.8	G530 R533 T782 D914	G530-E780 WeakPolarHBondContact CA-OE1 3.46Å; G530-E780 WeakPolarHBondContact CA-OE2 3.48Å; G530-E780 PolarHBondContact N-OE2 2.92Å; R533-E780 VanDerWaalsContact CD-OE1 3.31Å; R533-E780 WeakPolarHBondContact CD-OE1 3.43Å; R533-E780 HydrophobicContact CG-CG 4.45Å; R533-E780 WeakPolarHBondContact CG-OE1 3.35Å; E780-T782 PolarHBondContact O-N 3.47Å; E780-D914 VanDerWaalsContact CA-OD1 3.31Å; E780-D914 WeakPolarHBondContact CA-OD1 3.16Å
781	N	73.1	Confident	87.2	Confident	76 Å²	76	24.4 Å²	24.4	41%	0.406	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	17.1	178.1	-45.1	-101.1	0	0	0	114.2	D914	N781-D914 PolarHBondContact N-OD1 3.22Å; N781-D914 PolarHBondContact N-OD2 3.1Å
782	T	79.7	Confident	88.1	Confident	36 Å²	36	20.9 Å²	20.9	22%	0.221	11%	0.112	C	C	.	.			trans	-89.7	1.2	178.2	65.4	0	0	0	0	114.3	N766 V779 E780 Q785	N766-T782 HydrophobicContact CB-CG2 3.92Å; V779-T782 HydrophobicContact CB-CG2 3.92Å; V779-T782 HydrophobicContact CG1-CG2 3.96Å; V779-T782 WeakPolarHBondContact O-CB 3.45Å; V779-T782 WeakPolarHBondContact O-CG2 3.12Å; V779-T782 PolarHBondContact O-N 3.43Å; V779-T782 PolarHBondContact O-OG1 3.28Å; E780-T782 PolarHBondContact O-N 3.47Å; T782-Q785 PolarHBondContact O-NE2 3.22Å; T782-Q785 WeakPolarHBondContact OG1-CG 3.23Å
783	G	84.5	Confident	89	Confident	29 Å²	29	19.6 Å²	19.6	30%	0.299	11%	0.105	S	C	.	.			trans	75.4	-157.2	-179.9	0	0	0	0	0	112.9	Q785	G783-Q785 PolarHBondContact O-N 3.11Å
784	W	88.7	Confident	89.4	Confident	45 Å²	45	21.4 Å²	21.4	17%	0.17	11%	0.111	C	C	.	.			trans	-70.8	112.4	178.8	-70.8	97	0	0	0	110.8	L811 R813 D837 V913	W784-L811 HydrophobicContact CH2-CB 3.63Å; W784-L811 HydrophobicContact CH2-CD1 4.07Å; W784-L811 HydrophobicContact CH2-CG 4.49Å; W784-L811 HydrophobicContact CZ2-CB 3.98Å; W784-L811 HydrophobicContact CZ2-CD1 3.52Å; W784-L811 HydrophobicContact CZ2-CG 4.4Å; W784-L811 HydrophobicContact CZ3-CB 4.26Å; W784-R813 HydrophobicContact CH2-CG 3.82Å; W784-R813 HydrophobicContact CZ3-CB 4.4Å; W784-R813 HydrophobicContact CZ3-CG 3.75Å; W784-D837 WeakPolarHBondContact CZ2-O 3.42Å; W784-V913 HydrophobicContact CB-CG2 4.34Å; W784-V913 HydrophobicContact CD2-CG2 3.35Å; W784-V913 HydrophobicContact CE3-CG2 3.68Å; W784-V913 HydrophobicContact CG-CG2 3.67Å; W784-V913 HydrophobicContact CH2-CG2 4.36Å; W784-V913 HydrophobicContact CZ2-CG2 4.08Å; W784-V913 HydrophobicContact CZ3-CG2 4.17Å
785	Q	92.8	Very high	89.4	Confident	12 Å²	12	21.7 Å²	21.7	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	174.1	-59.9	-60.9	-38.2	0	0	108	N766 L767 A778 T782 G783 S911 L912	N766-Q785 HydrophobicContact CB-CG 3.91Å; N766-Q785 PolarHBondContact ND2-NE2 2.95Å; L767-Q785 HydrophobicContact CB-CB 4.23Å; L767-Q785 HydrophobicContact CD1-CB 3.88Å; L767-Q785 HydrophobicContact CG-CB 4.46Å; A778-Q785 HydrophobicContact CB-CB 4.47Å; T782-Q785 PolarHBondContact O-NE2 3.22Å; T782-Q785 WeakPolarHBondContact OG1-CG 3.23Å; G783-Q785 PolarHBondContact O-N 3.11Å; Q785-S911 WeakPolarHBondContact O-CA 3.33Å; Q785-L912 PolarHBondContact N-O 3.3Å; Q785-L912 WeakPolarHBondContact O-CD2 3.29Å; Q785-L912 PolarHBondContact O-N 3.24Å
786	G	93.7	Very high	89.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.4	-176.2	0	0	0	0	0	114.1	V761 T762 L767 L823 A910	V761-G786 CarbonylContact C-O 3.57Å; V761-G786 VanDerWaalsContact CA-O 3.31Å; V761-G786 WeakPolarHBondContact CA-O 3.41Å; T762-G786 PolarHBondContact N-O 2.91Å; T762-G786 PolarHBondContact OG1-N 3.3Å; T762-G786 PolarHBondContact OG1-O 2.9Å; L767-G786 WeakPolarHBondContact CD2-O 3.4Å; G786-L823 WeakPolarHBondContact CA-O 3.44Å; G786-A910 CarbonylContact C-O 3.59Å; G786-A910 WeakPolarHBondContact CA-O 3.11Å
787	F	96.1	Very high	88.9	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.9	-172.8	66.9	-88.9	0	0	0	112.5	V756 D760 V761 L767 V776 V789 A909 A910 L912 L919	V756-F787 HydrophobicContact CB-CD2 4.33Å; V756-F787 HydrophobicContact CG1-CB 4.11Å; V756-F787 HydrophobicContact CG1-CD2 3.71Å; V756-F787 HydrophobicContact CG1-CE2 4.28Å; V756-F787 HydrophobicContact CG1-CG 3.91Å; V756-F787 HydrophobicContact CG2-CD2 4.04Å; V756-F787 HydrophobicContact CG2-CE2 3.76Å; V756-F787 HydrophobicContact CG2-CZ 4.26Å; D760-F787 VanDerWaalsContact O-CA 3.3Å; D760-F787 WeakPolarHBondContact O-CA 3.4Å; V761-F787 HydrophobicContact CG1-CB 3.95Å; L767-F787 HydrophobicContact CD2-CB 3.92Å; L767-F787 HydrophobicContact CD2-CD1 4.01Å; L767-F787 HydrophobicContact CD2-CG 4.43Å; V776-F787 HydrophobicContact CB-CE1 4.05Å; V776-F787 HydrophobicContact CG1-CD1 3.95Å; V776-F787 HydrophobicContact CG1-CE1 3.9Å; V776-F787 HydrophobicContact CG2-CD1 4.33Å; V776-F787 HydrophobicContact CG2-CE1 3.86Å; V776-F787 HydrophobicContact CG2-CZ 3.98Å; F787-V789 HydrophobicContact CE2-CG2 4.21Å; F787-A909 WeakPolarHBondContact O-CA 3.25Å; F787-A909 WeakPolarHBondContact O-CB 3.44Å; F787-A910 HydrophobicContact CD1-CB 4.47Å; F787-A910 WeakPolarHBondContact CD1-O 3.47Å; F787-A910 HydrophobicContact CE1-CB 3.69Å; F787-A910 HydrophobicContact CZ-CB 3.78Å; F787-A910 PolarHBondContact N-O 3.5Å; F787-A910 PolarHBondContact O-N 3.16Å; F787-L912 HydrophobicContact CD1-CD2 3.99Å; F787-L912 HydrophobicContact CE1-CD2 3.75Å; F787-L919 HydrophobicContact CE2-CD1 4.46Å; F787-L919 HydrophobicContact CE2-CD2 4.06Å; F787-L919 HydrophobicContact CZ-CD1 3.83Å; F787-L919 HydrophobicContact CZ-CD2 3.82Å
788	R	95.5	Very high	88.9	Confident	7 Å²	7	31 Å²	31	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	158.2	158.2	-85.9	177.3	-69.2	-103.9	-17	111.3	N757 D760 F818 E819 G821 L823 A909	N757-R788 VanDerWaalsContact CB-O 3.32Å; N757-R788 WeakPolarHBondContact CB-O 3.22Å; N757-R788 PolarHBondContact N-O 2.86Å; D760-R788 HydrophobicContact CB-CB 4.45Å; D760-R788 PolarHBondContact O-N 3.32Å; D760-R788 VanDerWaalsContact O-N 3.08Å; D760-R788 IonicContact OD1-CZ 2.86Å; D760-R788 IonicContact OD1-NE 2.9Å; D760-R788 IonicContact OD1-NH2 3.31Å; D760-R788 PolarHBondContact OD1-NH2 3.2Å; D760-R788 IonicContact OD2-CZ 2.72Å; D760-R788 IonicContact OD2-NE 2.86Å; D760-R788 PolarHBondContact OD2-NE 3.38Å; D760-R788 IonicContact OD2-NH2 2.69Å; D760-R788 PolarHBondContact OD2-NH2 3.03Å; R788-F818 PolarHBondContact NH1-O 3.46Å; R788-E819 PolarHBondContact NH1-O 3.42Å; R788-G821 PolarHBondContact NH1-O 3.15Å; R788-G821 PolarHBondContact NH2-O 2.85Å; R788-L823 HydrophobicContact CG-CD2 4.29Å; R788-L823 VanDerWaalsContact NH2-CD2 3.34Å; R788-A909 HydrophobicContact CG-CB 4.04Å
789	V	95	Very high	89.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	156.2	173.1	170.3	0	0	0	0	110.6	W754 R755 F787 K791 Y907 P908 Y921	W754-V789 HydrophobicContact CE3-CG1 3.89Å; R755-V789 CarbonylContact O-C 3.57Å; R755-V789 WeakPolarHBondContact O-CA 3.43Å; R755-V789 WeakPolarHBondContact O-CG1 3.45Å; F787-V789 HydrophobicContact CE2-CG2 4.21Å; V789-K791 PolarHBondContact O-N 2.86Å; V789-Y907 WeakPolarHBondContact O-CD1 3.35Å; V789-P908 HydrophobicContact CB-CB 4.15Å; V789-P908 HydrophobicContact CB-CG 4.31Å; V789-P908 HydrophobicContact CG2-CB 3.84Å; V789-P908 HydrophobicContact CG2-CG 4.44Å; V789-P908 WeakPolarHBondContact CG2-O 3.4Å; V789-P908 PolarHBondContact N-O 3.33Å; V789-Y921 HydrophobicContact CG1-CE1 4.32Å; V789-Y921 HydrophobicContact CG2-CE1 3.9Å; V789-Y921 WeakPolarHBondContact CG2-OH 3.4Å
790	N	92.7	Very high	89.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-66.9	-17.5	-176	69.4	-23.7	0	0	0	114.1	G753 R755 N757 S948 W951	G753-N790 PolarHBondContact O-ND2 3.19Å; G753-N790 PolarHBondContact O-OD1 2.7Å; R755-N790 PolarHBondContact N-OD1 2.98Å; R755-N790 WeakPolarHBondContact O-CB 3.29Å; R755-N790 VanDerWaalsContact O-CG 3.31Å; R755-N790 PolarHBondContact O-N 3Å; R755-N790 PolarHBondContact O-OD1 2.72Å; R755-N790 VanDerWaalsContact O-OD1 3.09Å; N757-N790 HydrophobicContact CB-CB 4.32Å; N790-S948 VanDerWaalsContact O-CB 3.31Å; N790-S948 WeakPolarHBondContact O-CB 3.49Å; N790-S948 PolarHBondContact O-N 3.4Å; N790-W951 HydrophobicContact CB-CD2 3.64Å; N790-W951 HydrophobicContact CB-CE3 3.3Å; N790-W951 HydrophobicContact CB-CG 4.18Å; N790-W951 HydrophobicContact CB-CH2 4.43Å; N790-W951 HydrophobicContact CB-CZ3 3.73Å
791	K	93.7	Very high	90.6	Very high	32 Å²	32	26 Å²	26	14%	0.139	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147	178.3	-64.4	-177.4	178.4	-159.3	0	109.9	W754 V789 Y907 V945 F946	W754-K791 HydrophobicContact CD2-CB 4.01Å; W754-K791 HydrophobicContact CD2-CD 4.47Å; W754-K791 HydrophobicContact CE3-CB 3.79Å; W754-K791 HydrophobicContact CH2-CB 3.81Å; W754-K791 HydrophobicContact CZ2-CB 4.06Å; W754-K791 VanDerWaalsContact CZ3-C 3.5Å; W754-K791 HydrophobicContact CZ3-CB 3.7Å; W754-K791 WeakPolarHBondContact CZ3-O 3.34Å; V789-K791 PolarHBondContact O-N 2.86Å; K791-Y907 VanDerWaalsContact C-CD1 3.43Å; K791-Y907 WeakPolarHBondContact O-CD1 3.28Å; K791-V945 HydrophobicContact CB-CG1 4.04Å; K791-V945 HydrophobicContact CD-CG1 3.82Å; K791-V945 HydrophobicContact CG-CG1 4.25Å; K791-F946 CarbonylContact C-O 3.53Å; K791-F946 VanDerWaalsContact CA-O 3.29Å; K791-F946 WeakPolarHBondContact CA-O 3.3Å
792	G	93.7	Very high	91.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	170	170.1	0	0	0	0	0	110.7	I906 V945 F946	G792-I906 CarbonylContact C-O 3.56Å; G792-I906 VanDerWaalsContact CA-O 3.28Å; G792-I906 WeakPolarHBondContact CA-O 3.3Å; G792-V945 WeakPolarHBondContact O-CA 3.33Å; G792-F946 PolarHBondContact N-O 3.28Å; G792-F946 PolarHBondContact O-N 2.94Å
793	I	93.2	Very high	92.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.9	175.8	29.6	64.3	0	0	0	112	W754 Y799 W816 L873 L875 P905 I906 L937 A940 Y944 V945	W754-I793 HydrophobicContact CH2-CG1 4.49Å; W754-I793 HydrophobicContact CH2-CG2 3.99Å; W754-I793 HydrophobicContact CZ2-CG2 4.32Å; I793-Y799 HydrophobicContact CB-CD2 4.28Å; I793-Y799 HydrophobicContact CB-CE2 4.03Å; I793-Y799 HydrophobicContact CD1-CD2 4.27Å; I793-Y799 HydrophobicContact CG1-CD2 4.02Å; I793-Y799 HydrophobicContact CG1-CE2 4.29Å; I793-Y799 HydrophobicContact CG1-CG 4.22Å; I793-Y799 HydrophobicContact CG2-CD1 4.43Å; I793-Y799 HydrophobicContact CG2-CE1 4.02Å; I793-Y799 HydrophobicContact CG2-CE2 4.13Å; I793-W816 HydrophobicContact CD1-CZ3 3.98Å; I793-W816 HydrophobicContact CG1-CZ3 4.5Å; I793-L873 HydrophobicContact CD1-CD2 3.41Å; I793-L873 VanDerWaalsContact CD1-CD2 3.41Å; I793-L875 HydrophobicContact CD1-CD1 4.35Å; I793-P905 WeakPolarHBondContact O-CA 3.46Å; I793-I906 HydrophobicContact CD1-CG2 3.57Å; I793-I906 WeakPolarHBondContact CD1-O 3.48Å; I793-I906 PolarHBondContact N-O 3.39Å; I793-I906 PolarHBondContact O-N 3.15Å; I793-L937 HydrophobicContact CD1-CD2 4.5Å; I793-L937 HydrophobicContact CG1-CD2 3.54Å; I793-L937 HydrophobicContact CG2-CD2 4.33Å; I793-A940 HydrophobicContact CG2-CB 4.09Å; I793-Y944 VanDerWaalsContact CA-O 3.29Å; I793-Y944 WeakPolarHBondContact CA-O 3.17Å; I793-V945 HydrophobicContact CG2-CG2 4.09Å
794	F	91.3	Very high	93	Very high	44 Å²	44	22.8 Å²	22.8	19%	0.193	11%	0.111	C	C	.	.			trans	-146.3	179.9	170.7	62	-85.6	0	0	0	109.3	L875 N903 E943 Y944 F946	F794-L875 VanDerWaalsContact C-CD1 3.43Å; F794-N903 HydrophobicContact CD2-CB 4.28Å; F794-E943 WeakPolarHBondContact CZ-O 3.29Å; F794-Y944 WeakPolarHBondContact CD1-O 3.14Å; F794-Y944 VanDerWaalsContact CE1-C 3.45Å; F794-Y944 WeakPolarHBondContact CE1-O 3.13Å; F794-Y944 PolarHBondContact N-O 3.43Å; F794-Y944 WeakPolarHBondContact O-CB 3.36Å; F794-Y944 WeakPolarHBondContact O-CD1 3.29Å; F794-F946 HydrophobicContact CD1-CB 4.25Å; F794-F946 HydrophobicContact CE1-CB 4.11Å
795	G	86.8	Confident	93.2	Very high	27 Å²	27	20.9 Å²	20.9	28%	0.278	10%	0.104	S	C	.	.	S	Bend	trans	105.9	-144.7	-178.9	0	0	0	0	0	113	L875	G795-L875 VanDerWaalsContact O-CB 3.29Å; G795-L875 WeakPolarHBondContact O-CB 3.2Å
796	D	84.6	Confident	93.1	Very high	106 Å²	106	20.8 Å²	20.8	57%	0.567	10%	0.104	S	C	*	.	S	Bend	trans	-127.1	7.4	-167.3	63.2	-10.4	0	0	0	114.6	G876	D796-G876 VanDerWaalsContact O-CA 3.26Å; D796-G876 WeakPolarHBondContact O-CA 3.22Å; D796-G876 PolarHBondContact O-N 2.79Å
797	R	88.5	Confident	92.6	Very high	105 Å²	105	21 Å²	21	40%	0.396	11%	0.105	S	C	.	.			trans	-96.7	166	-172.7	-58.6	-169.4	-176	-150.5	5.4	114.2	Y799 L875 E943 Y944	R797-Y799 HydrophobicContact CB-CE2 3.79Å; R797-L875 PolarHBondContact O-N 3.4Å; R797-E943 IonicContact NH2-OE1 2.74Å; R797-Y944 VanDerWaalsContact NE-CE2 3.34Å
798	A	92.2	Very high	91.7	Very high	25 Å²	25	26.3 Å²	26.3	21%	0.207	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.1	175.6	0	0	0	0	0	111.3	L873 D874 W934 T935	A798-L873 CarbonylContact C-O 3.59Å; A798-L873 WeakPolarHBondContact CA-O 3.46Å; A798-D874 HydrophobicContact CB-CB 4.4Å; A798-W934 HydrophobicContact CB-CD2 4.11Å; A798-W934 HydrophobicContact CB-CE3 3.64Å; A798-W934 HydrophobicContact CB-CH2 4.37Å; A798-W934 HydrophobicContact CB-CZ3 3.78Å; A798-T935 WeakPolarHBondContact O-CB 3.34Å; A798-T935 PolarHBondContact O-N 3.01Å
799	Y	94.5	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.3	-172.2	-66.4	-73.6	0	0	0	113.2	I793 R797 F872 L873 L875 T935 L937 A940 Y944	I793-Y799 HydrophobicContact CB-CD2 4.28Å; I793-Y799 HydrophobicContact CB-CE2 4.03Å; I793-Y799 HydrophobicContact CD1-CD2 4.27Å; I793-Y799 HydrophobicContact CG1-CD2 4.02Å; I793-Y799 HydrophobicContact CG1-CE2 4.29Å; I793-Y799 HydrophobicContact CG1-CG 4.22Å; I793-Y799 HydrophobicContact CG2-CD1 4.43Å; I793-Y799 HydrophobicContact CG2-CE1 4.02Å; I793-Y799 HydrophobicContact CG2-CE2 4.13Å; R797-Y799 HydrophobicContact CB-CE2 3.79Å; Y799-F872 WeakPolarHBondContact O-CA 3.43Å; Y799-L873 PolarHBondContact N-O 2.69Å; Y799-L873 PolarHBondContact O-N 3.49Å; Y799-L875 HydrophobicContact CD2-CD1 4.32Å; Y799-L875 HydrophobicContact CE2-CD1 4.06Å; Y799-T935 CarbonylContact C-O 3.26Å; Y799-T935 VanDerWaalsContact CA-O 3.26Å; Y799-T935 WeakPolarHBondContact CA-O 3.34Å; Y799-T935 HydrophobicContact CD1-CG2 4.19Å; Y799-T935 HydrophobicContact CE1-CG2 4.07Å; Y799-L937 HydrophobicContact CD1-CD2 4.04Å; Y799-L937 HydrophobicContact CG-CD2 4.06Å; Y799-A940 HydrophobicContact CD1-CB 4.24Å; Y799-A940 HydrophobicContact CE1-CB 3.56Å; Y799-Y944 WeakPolarHBondContact OH-CB 3.29Å
800	Y	95.1	Very high	90.1	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.6	-176.8	178	-94.1	0	0	0	113.7	E802 C871 F872 F926 Y928 P930 T935 L937	Y800-E802 HydrophobicContact CE1-CG 3.87Å; Y800-E802 WeakPolarHBondContact OH-CG 3.48Å; Y800-C871 WeakPolarHBondContact CA-O 3.15Å; Y800-F872 AromaticContact CD2-CD1 3.71Å; Y800-F872 HydrophobicContact CD2-CD1 3.71Å; Y800-F872 HydrophobicContact CD2-CD2 4.03Å; Y800-F872 AromaticContact CD2-CE1 3.61Å; Y800-F872 HydrophobicContact CD2-CE1 3.61Å; Y800-F872 AromaticContact CD2-CE2 3.93Å; Y800-F872 HydrophobicContact CD2-CE2 3.93Å; Y800-F872 AromaticContact CD2-CG 3.92Å; Y800-F872 HydrophobicContact CD2-CG 3.92Å; Y800-F872 AromaticContact CD2-CZ 3.72Å; Y800-F872 HydrophobicContact CD2-CZ 3.72Å; Y800-F872 HydrophobicContact CE2-CD1 4.31Å; Y800-F872 HydrophobicContact CE2-CD2 4.1Å; Y800-F872 AromaticContact CE2-CE1 3.84Å; Y800-F872 HydrophobicContact CE2-CE1 3.84Å; Y800-F872 AromaticContact CE2-CE2 3.59Å; Y800-F872 HydrophobicContact CE2-CE2 3.59Å; Y800-F872 HydrophobicContact CE2-CG 4.43Å; Y800-F872 AromaticContact CE2-CZ 3.45Å; Y800-F872 HydrophobicContact CE2-CZ 3.45Å; Y800-F872 VanDerWaalsContact CE2-CZ 3.45Å; Y800-F926 HydrophobicContact CD1-CD2 4.03Å; Y800-F926 HydrophobicContact CD1-CE1 4.1Å; Y800-F926 AromaticContact CD1-CE2 3.55Å; Y800-F926 HydrophobicContact CD1-CE2 3.55Å; Y800-F926 AromaticContact CD1-CZ 3.59Å; Y800-F926 HydrophobicContact CD1-CZ 3.59Å; Y800-F926 AromaticContact CE1-CD1 3.93Å; Y800-F926 HydrophobicContact CE1-CD1 3.93Å; Y800-F926 AromaticContact CE1-CD2 3.81Å; Y800-F926 HydrophobicContact CE1-CD2 3.81Å; Y800-F926 AromaticContact CE1-CE1 3.9Å; Y800-F926 HydrophobicContact CE1-CE1 3.9Å; Y800-F926 AromaticContact CE1-CE2 3.77Å; Y800-F926 HydrophobicContact CE1-CE2 3.77Å; Y800-F926 AromaticContact CE1-CG 3.89Å; Y800-F926 HydrophobicContact CE1-CG 3.89Å; Y800-F926 AromaticContact CE1-CZ 3.82Å; Y800-F926 HydrophobicContact CE1-CZ 3.82Å; Y800-Y928 PolarHBondContact OH-O 3.49Å; Y800-P930 HydrophobicContact CD1-CG 4.17Å; Y800-P930 HydrophobicContact CD2-CG 4.44Å; Y800-P930 HydrophobicContact CG-CG 4.1Å; Y800-T935 PolarHBondContact N-O 2.81Å; Y800-L937 PolarHBondContact O-N 3.13Å
801	Y	96.5	Very high	89.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	166.7	165.4	75.1	-81.7	0	0	0	112.6	V803 G815 W816 C871 P908 L919 N920 Y921 L937	Y801-V803 HydrophobicContact CD2-CG2 4Å; Y801-V803 HydrophobicContact CE2-CG2 3.49Å; Y801-V803 VanDerWaalsContact CE2-CG2 3.49Å; Y801-G815 PolarHBondContact OH-O 2.98Å; Y801-W816 AromaticContact CD1-CH2 3.62Å; Y801-W816 HydrophobicContact CD1-CH2 3.62Å; Y801-W816 AromaticContact CD1-CZ2 3.7Å; Y801-W816 HydrophobicContact CD1-CZ2 3.7Å; Y801-W816 HydrophobicContact CD1-CZ3 4.31Å; Y801-W816 HydrophobicContact CE1-CD2 4.24Å; Y801-W816 AromaticContact CE1-CE2 3.8Å; Y801-W816 HydrophobicContact CE1-CE3 4.31Å; Y801-W816 AromaticContact CE1-CH2 3.62Å; Y801-W816 HydrophobicContact CE1-CH2 3.62Å; Y801-W816 AromaticContact CE1-CZ2 3.49Å; Y801-W816 HydrophobicContact CE1-CZ2 3.49Å; Y801-W816 VanDerWaalsContact CE1-CZ2 3.49Å; Y801-W816 HydrophobicContact CE1-CZ3 4.03Å; Y801-C871 HydrophobicContact CD1-CB 3.64Å; Y801-C871 HydrophobicContact CD2-CB 4.33Å; Y801-C871 HydrophobicContact CE1-CB 3.28Å; Y801-C871 HydrophobicContact CE2-CB 4.04Å; Y801-C871 HydrophobicContact CG-CB 4.14Å; Y801-C871 VanDerWaalsContact CZ-CB 3.48Å; Y801-C871 PolarHBondContact N-O 2.82Å; Y801-C871 VanDerWaalsContact N-O 3.1Å; Y801-C871 PolarHBondContact O-N 3.34Å; Y801-P908 HydrophobicContact CE1-CB 3.98Å; Y801-P908 HydrophobicContact CE1-CG 4.36Å; Y801-P908 HydrophobicContact CE2-CB 4.34Å; Y801-L919 HydrophobicContact CE2-CD2 4.34Å; Y801-N920 WeakPolarHBondContact CB-O 3.38Å; Y801-Y921 HydrophobicContact CD2-CD1 4.24Å; Y801-Y921 HydrophobicContact CD2-CE1 4.3Å; Y801-Y921 HydrophobicContact CG-CD1 4.36Å; Y801-L937 HydrophobicContact CD1-CD1 3.6Å; Y801-L937 HydrophobicContact CE1-CD1 4.38Å; Y801-L937 HydrophobicContact CG-CD1 3.97Å
802	E	96.7	Very high	89.8	Confident	10 Å²	10	28.9 Å²	28.9	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.6	178.3	-77.7	-172.7	143.8	0	0	112.6	Y800 V868 I869 N920 F926 K927 Y928	Y800-E802 HydrophobicContact CE1-CG 3.87Å; Y800-E802 WeakPolarHBondContact OH-CG 3.48Å; E802-V868 HydrophobicContact CB-CG1 3.88Å; E802-V868 HydrophobicContact CG-CG1 3.8Å; E802-I869 WeakPolarHBondContact CA-O 3.26Å; E802-N920 HydrophobicContact CB-CB 4.4Å; E802-N920 PolarHBondContact N-O 2.99Å; E802-N920 PolarHBondContact O-N 3.22Å; E802-F926 HydrophobicContact CB-CD1 4.01Å; E802-F926 HydrophobicContact CB-CE1 4.33Å; E802-F926 HydrophobicContact CG-CB 4.44Å; E802-F926 HydrophobicContact CG-CD1 3.62Å; E802-F926 HydrophobicContact CG-CE1 4.21Å; E802-F926 HydrophobicContact CG-CG 4.31Å; E802-F926 VanDerWaalsContact OE2-CA 3.24Å; E802-F926 WeakPolarHBondContact OE2-CA 3.18Å; E802-F926 WeakPolarHBondContact OE2-CB 3.34Å; E802-F926 WeakPolarHBondContact OE2-CD1 3.39Å; E802-K927 PolarHBondContact OE1-N 2.72Å; E802-K927 PolarHBondContact OE2-N 3.08Å; E802-Y928 PolarHBondContact OE1-N 3.05Å
803	V	96.9	Very high	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.2	165.4	-177.2	0	0	0	0	110.2	Y801 I814 V868 I869 L917 E918 L919	Y801-V803 HydrophobicContact CD2-CG2 4Å; Y801-V803 HydrophobicContact CE2-CG2 3.49Å; Y801-V803 VanDerWaalsContact CE2-CG2 3.49Å; V803-I814 HydrophobicContact CB-CD1 4.07Å; V803-I814 HydrophobicContact CB-CG2 4.09Å; V803-I814 HydrophobicContact CG1-CD1 3.77Å; V803-I814 HydrophobicContact CG1-CG1 4.32Å; V803-I814 HydrophobicContact CG2-CG2 3.6Å; V803-V868 WeakPolarHBondContact O-CA 3.45Å; V803-I869 PolarHBondContact N-O 3.13Å; V803-I869 PolarHBondContact O-N 3.13Å; V803-L917 HydrophobicContact CG1-CB 4.04Å; V803-L917 HydrophobicContact CG1-CD1 4.37Å; V803-L917 HydrophobicContact CG1-CD2 4.14Å; V803-L917 HydrophobicContact CG1-CG 4.42Å; V803-E918 CarbonylContact C-O 3.53Å; V803-E918 VanDerWaalsContact CA-O 3.28Å; V803-E918 WeakPolarHBondContact CA-O 3.31Å; V803-E918 WeakPolarHBondContact CG1-O 3.47Å; V803-L919 HydrophobicContact CG1-CG 4.31Å; V803-L919 HydrophobicContact CG2-CD2 3.82Å; V803-L919 HydrophobicContact CG2-CG 3.94Å
804	R	95.1	Very high	89.9	Confident	63 Å²	63	29 Å²	29	24%	0.238	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.6	171	-172.9	172.2	61.4	103.3	1.8	110.5	D866 V868 E918	R804-D866 IonicContact CZ-OD1 3.9Å; R804-D866 IonicContact NH1-OD1 3.58Å; R804-D866 PolarHBondContact NH1-OD1 3.35Å; R804-V868 HydrophobicContact CB-CG2 3.9Å; R804-V868 HydrophobicContact CG-CG2 3.89Å; R804-E918 HydrophobicContact CB-CB 4.33Å; R804-E918 IonicContact CZ-OE2 3.52Å; R804-E918 PolarHBondContact N-O 3.25Å; R804-E918 IonicContact NE-OE2 3.69Å; R804-E918 PolarHBondContact NE-OE2 2.91Å; R804-E918 IonicContact NH2-OE1 3.65Å; R804-E918 IonicContact NH2-OE2 2.69Å; R804-E918 PolarHBondContact NH2-OE2 3.45Å; R804-E918 PolarHBondContact O-N 2.95Å
805	I	92.6	Very high	90.1	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.7	171.2	-43.4	-56.9	0	0	0	108.5	E807 I814 F863 R864 D866 D867 L917	I805-E807 WeakPolarHBondContact CG2-O 3.42Å; I805-I814 HydrophobicContact CD1-CD1 3.86Å; I805-F863 HydrophobicContact CD1-CD2 3.63Å; I805-F863 HydrophobicContact CD1-CE2 3.66Å; I805-F863 HydrophobicContact CD1-CG 4.47Å; I805-F863 HydrophobicContact CD1-CZ 4.5Å; I805-F863 HydrophobicContact CG1-CD2 3.74Å; I805-F863 HydrophobicContact CG1-CE2 4.28Å; I805-F863 HydrophobicContact CG1-CG 4.43Å; I805-R864 WeakPolarHBondContact CB-O 3.38Å; I805-D866 PolarHBondContact O-N 3.46Å; I805-D867 PolarHBondContact N-O 3.14Å; I805-D867 VanDerWaalsContact N-O 3.15Å; I805-L917 HydrophobicContact CD1-CD2 3.59Å
806	V	90.4	Very high	90.6	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.055	14%	0.138	C	C	.	.			trans	-94	-27.8	-172	-177.8	0	0	0	0	112.2	V534 F775 K865 T916 E918	V534-V806 HydrophobicContact CB-CG1 4.3Å; V534-V806 HydrophobicContact CG1-CG1 4.02Å; V534-V806 HydrophobicContact CG2-CG1 4.31Å; F775-V806 HydrophobicContact CD1-CG2 4.15Å; F775-V806 HydrophobicContact CE1-CG2 3.98Å; V806-K865 VanDerWaalsContact O-CE 3.27Å; V806-K865 WeakPolarHBondContact O-CE 3.39Å; V806-T916 HydrophobicContact CB-CG2 3.99Å; V806-T916 WeakPolarHBondContact CB-O 3.39Å; V806-T916 HydrophobicContact CG1-CG2 4.26Å; V806-T916 HydrophobicContact CG2-CG2 4.29Å; V806-T916 PolarHBondContact N-O 2.75Å; V806-E918 HydrophobicContact CG2-CB 3.75Å
807	E	84.3	Confident	91.1	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.028	11%	0.112	C	C	.	.			trans	-113.5	153.4	-178.8	-72.6	178.9	137.8	0	0	112.5	R533 V534 I805 S809 T915 T916	R533-E807 VanDerWaalsContact CA-OE1 3.24Å; R533-E807 WeakPolarHBondContact CA-OE1 3.32Å; R533-E807 IonicContact CZ-OE1 3.33Å; R533-E807 IonicContact CZ-OE2 3.39Å; R533-E807 IonicContact NE-OE1 3.22Å; R533-E807 PolarHBondContact NE-OE1 3.11Å; R533-E807 IonicContact NE-OE2 2.79Å; R533-E807 PolarHBondContact NE-OE2 3.34Å; R533-E807 VanDerWaalsContact NE-OE2 3.14Å; R533-E807 IonicContact NH2-OE1 2.74Å; R533-E807 IonicContact NH2-OE2 3.4Å; R533-E807 PolarHBondContact NH2-OE2 3.44Å; V534-E807 HydrophobicContact CB-CG 4.29Å; V534-E807 HydrophobicContact CG2-CG 3.81Å; V534-E807 PolarHBondContact N-OE1 2.92Å; I805-E807 WeakPolarHBondContact CG2-O 3.42Å; E807-S809 VanDerWaalsContact C-N 3.3Å; E807-T915 VanDerWaalsContact OE2-CA 3.29Å; E807-T915 WeakPolarHBondContact OE2-CA 3.43Å; E807-T916 WeakPolarHBondContact OE2-CB 3.48Å; E807-T916 PolarHBondContact OE2-N 2.92Å; E807-T916 PolarHBondContact OE2-OG1 3.36Å
808	D	75.8	Confident	91.3	Very high	112 Å²	112	15.8 Å²	15.8	60%	0.599	9%	0.094	S	C	*	.	S	Bend	trans	-90.8	7	175.5	38.2	-31.4	0	0	0	112.8	K865	D808-K865 HydrophobicContact CB-CB 3.92Å; D808-K865 HydrophobicContact CB-CD 3.74Å; D808-K865 HydrophobicContact CB-CG 4.49Å; D808-K865 WeakPolarHBondContact OD1-CD 3.25Å; D808-K865 IonicContact OD1-NZ 3.45Å; D808-K865 PolarHBondContact OD1-NZ 2.92Å
809	S	77.7	Confident	91.2	Very high	27 Å²	27	16.9 Å²	16.9	19%	0.189	10%	0.095	C	C	.	.	S	Bend	trans	-110	164.1	175.5	60.5	0	0	0	0	112.4	E807 D914 T915	E807-S809 VanDerWaalsContact C-N 3.3Å; S809-D914 CarbonylContact C-O 3.49Å; S809-D914 WeakPolarHBondContact CB-O 3.26Å; S809-D914 PolarHBondContact OG-O 2.84Å; S809-T915 WeakPolarHBondContact O-CB 3.48Å; S809-T915 PolarHBondContact O-OG1 3.43Å
810	G	80.1	Confident	90.8	Very high	37 Å²	37	22.6 Å²	22.6	38%	0.381	13%	0.125	S	C	.	.	S	Bend	trans	77.9	-163.6	164	0	0	0	0	0	115.4	V913	G810-V913 CarbonylContact C-O 3.51Å; G810-V913 WeakPolarHBondContact CA-O 3.23Å
811	L	87.5	Confident	90.5	Very high	25 Å²	25	23 Å²	23	13%	0.131	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.9	-174.3	-57.2	178.6	0	0	0	110.6	W784 A836 I843 L912 V913 T915	W784-L811 HydrophobicContact CH2-CB 3.63Å; W784-L811 HydrophobicContact CH2-CD1 4.07Å; W784-L811 HydrophobicContact CH2-CG 4.49Å; W784-L811 HydrophobicContact CZ2-CB 3.98Å; W784-L811 HydrophobicContact CZ2-CD1 3.52Å; W784-L811 HydrophobicContact CZ2-CG 4.4Å; W784-L811 HydrophobicContact CZ3-CB 4.26Å; L811-A836 HydrophobicContact CB-CB 4.43Å; L811-A836 HydrophobicContact CD2-CB 3.81Å; L811-I843 HydrophobicContact CD2-CD1 3.46Å; L811-I843 VanDerWaalsContact CD2-CD1 3.46Å; L811-I843 HydrophobicContact CD2-CG1 3.54Å; L811-L912 CarbonylContact O-C 3.5Å; L811-L912 VanDerWaalsContact O-CA 3.23Å; L811-L912 WeakPolarHBondContact O-CA 3.44Å; L811-L912 WeakPolarHBondContact O-CB 3.21Å; L811-V913 HydrophobicContact CB-CB 4.06Å; L811-V913 HydrophobicContact CB-CG2 4.09Å; L811-V913 HydrophobicContact CD1-CG2 4.26Å; L811-V913 HydrophobicContact CG-CB 4.43Å; L811-V913 PolarHBondContact N-O 3.41Å; L811-V913 PolarHBondContact O-N 3.23Å; L811-T915 WeakPolarHBondContact O-CG2 3.28Å
812	A	92	Very high	90.2	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.9	165.3	0	0	0	0	0	111.8	I814 G835 A836 F863 S911 L912 L917	A812-I814 HydrophobicContact CB-CG1 4.34Å; A812-G835 WeakPolarHBondContact O-CA 3.27Å; A812-A836 PolarHBondContact O-N 2.96Å; A812-A836 VanDerWaalsContact O-N 3.11Å; A812-F863 HydrophobicContact CB-CE2 4.19Å; A812-F863 HydrophobicContact CB-CZ 4.4Å; A812-S911 CarbonylContact C-O 3.52Å; A812-S911 VanDerWaalsContact CA-O 3.31Å; A812-S911 WeakPolarHBondContact CA-O 3.33Å; A812-L912 HydrophobicContact CB-CB 4.4Å; A812-L917 HydrophobicContact CB-CD1 4.14Å; A812-L917 HydrophobicContact CB-CD2 3.99Å
813	R	93.9	Very high	90	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.8	161.2	-62.8	175.8	-156.4	150	21	106.7	W784 D824 L825 Y834 A836 L851 A910 S911	W784-R813 HydrophobicContact CH2-CG 3.82Å; W784-R813 HydrophobicContact CZ3-CB 4.4Å; W784-R813 HydrophobicContact CZ3-CG 3.75Å; R813-D824 IonicContact CZ-OD1 3.28Å; R813-D824 IonicContact CZ-OD2 3.55Å; R813-D824 IonicContact NH1-OD1 2.81Å; R813-D824 PolarHBondContact NH1-OD1 3.24Å; R813-D824 IonicContact NH1-OD2 2.69Å; R813-D824 PolarHBondContact NH1-OD2 2.81Å; R813-D824 IonicContact NH2-OD1 2.74Å; R813-D824 IonicContact NH2-OD2 3.45Å; R813-D824 PolarHBondContact NH2-OD2 3.46Å; R813-L825 HydrophobicContact CB-CB 4.21Å; R813-L825 HydrophobicContact CB-CD2 4.38Å; R813-L825 WeakPolarHBondContact CD-O 3.49Å; R813-L825 PolarHBondContact NH1-O 2.96Å; R813-Y834 CarbonylContact C-O 3.56Å; R813-Y834 WeakPolarHBondContact CA-O 3.24Å; R813-A836 VanDerWaalsContact CG-O 3.26Å; R813-A836 WeakPolarHBondContact CG-O 3.32Å; R813-A836 PolarHBondContact NE-O 3.1Å; R813-L851 HydrophobicContact CG-CD1 4.21Å; R813-A910 CarbonylContact O-C 3.46Å; R813-A910 WeakPolarHBondContact O-CA 3.4Å; R813-A910 VanDerWaalsContact O-CB 3.25Å; R813-A910 WeakPolarHBondContact O-CB 3.47Å; R813-S911 PolarHBondContact N-O 3.3Å; R813-S911 PolarHBondContact O-N 3.34Å
814	I	95.5	Very high	89.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.4	-174	-58.8	160.2	0	0	0	108.3	V803 I805 A812 Y834 F863 I869 C871 W882 A910 L917	V803-I814 HydrophobicContact CB-CD1 4.07Å; V803-I814 HydrophobicContact CB-CG2 4.09Å; V803-I814 HydrophobicContact CG1-CD1 3.77Å; V803-I814 HydrophobicContact CG1-CG1 4.32Å; V803-I814 HydrophobicContact CG2-CG2 3.6Å; I805-I814 HydrophobicContact CD1-CD1 3.86Å; A812-I814 HydrophobicContact CB-CG1 4.34Å; I814-Y834 PolarHBondContact N-O 3.4Å; I814-Y834 PolarHBondContact O-N 2.9Å; I814-F863 HydrophobicContact CD1-CE2 4.42Å; I814-F863 HydrophobicContact CD1-CZ 4.01Å; I814-I869 HydrophobicContact CD1-CB 4.34Å; I814-I869 HydrophobicContact CD1-CG1 4.13Å; I814-C871 VanDerWaalsContact CG2-SG 3.55Å; I814-W882 PolarHBondContact O-NE1 3.01Å; I814-A910 HydrophobicContact CG1-CB 4.41Å; I814-L917 HydrophobicContact CD1-CD2 4.42Å; I814-L917 HydrophobicContact CG1-CD1 4.27Å
815	G	96.1	Very high	89.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-136.2	178.8	0	0	0	0	0	114.7	Y801 F832 A909	Y801-G815 PolarHBondContact OH-O 2.98Å; G815-F832 WeakPolarHBondContact CA-O 3.36Å; G815-A909 CarbonylContact C-O 3.32Å; G815-A909 PolarHBondContact N-O 3.38Å; G815-A909 PolarHBondContact O-N 2.91Å
816	W	96.4	Very high	89.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.5	-164.6	-54.7	97.1	0	0	0	110.7	I793 Y801 G831 F832 F872 L873 I906 Y907 P908 L937	I793-W816 HydrophobicContact CD1-CZ3 3.98Å; I793-W816 HydrophobicContact CG1-CZ3 4.5Å; Y801-W816 AromaticContact CD1-CH2 3.62Å; Y801-W816 HydrophobicContact CD1-CH2 3.62Å; Y801-W816 AromaticContact CD1-CZ2 3.7Å; Y801-W816 HydrophobicContact CD1-CZ2 3.7Å; Y801-W816 HydrophobicContact CD1-CZ3 4.31Å; Y801-W816 HydrophobicContact CE1-CD2 4.24Å; Y801-W816 AromaticContact CE1-CE2 3.8Å; Y801-W816 HydrophobicContact CE1-CE3 4.31Å; Y801-W816 AromaticContact CE1-CH2 3.62Å; Y801-W816 HydrophobicContact CE1-CH2 3.62Å; Y801-W816 AromaticContact CE1-CZ2 3.49Å; Y801-W816 HydrophobicContact CE1-CZ2 3.49Å; Y801-W816 VanDerWaalsContact CE1-CZ2 3.49Å; Y801-W816 HydrophobicContact CE1-CZ3 4.03Å; W816-G831 CarbonylContact O-C 3.51Å; W816-F832 PolarHBondContact N-O 2.69Å; W816-F832 PolarHBondContact O-N 3.35Å; W816-F872 PolarHBondContact NE1-O 3.13Å; W816-L873 HydrophobicContact CD2-CB 4.09Å; W816-L873 HydrophobicContact CD2-CD2 3.81Å; W816-L873 VanDerWaalsContact CE2-CB 3.48Å; W816-L873 HydrophobicContact CE3-CD2 3.66Å; W816-L873 HydrophobicContact CG-CD2 4.44Å; W816-L873 HydrophobicContact CH2-CB 3.86Å; W816-L873 HydrophobicContact CH2-CD2 4.02Å; W816-L873 HydrophobicContact CZ2-CB 3.36Å; W816-L873 HydrophobicContact CZ2-CD2 4.18Å; W816-L873 HydrophobicContact CZ2-CG 4.44Å; W816-L873 HydrophobicContact CZ3-CB 4.43Å; W816-L873 HydrophobicContact CZ3-CD2 3.77Å; W816-I906 HydrophobicContact CB-CD1 3.63Å; W816-I906 HydrophobicContact CB-CG1 3.95Å; W816-Y907 CarbonylContact C-O 3.53Å; W816-Y907 WeakPolarHBondContact CA-O 3.32Å; W816-P908 HydrophobicContact CE3-CG 4.29Å; W816-P908 HydrophobicContact CZ3-CG 3.9Å; W816-L937 HydrophobicContact CH2-CD1 3.86Å; W816-L937 HydrophobicContact CH2-CD2 4.1Å; W816-L937 HydrophobicContact CH2-CG 4.25Å; W816-L937 HydrophobicContact CZ3-CD1 3.98Å; W816-L937 HydrophobicContact CZ3-CD2 4.22Å
817	S	94.9	Very high	89.5	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.4	179.7	-170.2	0	0	0	0	111.3	F830 Y907	S817-F830 WeakPolarHBondContact CA-O 3.35Å; S817-Y907 PolarHBondContact N-O 3.18Å; S817-Y907 WeakPolarHBondContact O-CB 3.33Å; S817-Y907 PolarHBondContact O-N 3.13Å
818	F	93.4	Very high	89.8	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.022	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	163.6	169.5	-66.1	-78.3	0	0	0	111	R788 N820 G821 F830 F832 I895 L899 E904 I906	R788-F818 PolarHBondContact NH1-O 3.46Å; F818-N820 PolarHBondContact O-N 3.03Å; F818-G821 PolarHBondContact O-N 3.36Å; F818-F830 HydrophobicContact CB-CB 4.38Å; F818-F830 HydrophobicContact CD2-CB 4.38Å; F818-F830 HydrophobicContact CD2-CD1 4.29Å; F818-F830 WeakPolarHBondContact CD2-O 3.34Å; F818-F830 PolarHBondContact N-O 3.06Å; F818-F830 VanDerWaalsContact N-O 3.13Å; F818-F832 HydrophobicContact CD2-CE2 4.4Å; F818-F832 AromaticContact CE2-CE2 3.9Å; F818-F832 HydrophobicContact CE2-CE2 3.9Å; F818-I895 HydrophobicContact CZ-CG2 4.3Å; F818-L899 HydrophobicContact CE2-CD1 4.05Å; F818-L899 HydrophobicContact CZ-CB 4.15Å; F818-L899 HydrophobicContact CZ-CD1 4.49Å; F818-E904 HydrophobicContact CD1-CB 4.11Å; F818-E904 HydrophobicContact CD1-CG 3.89Å; F818-E904 HydrophobicContact CE1-CB 4.33Å; F818-E904 WeakPolarHBondContact CE1-O 3.34Å; F818-I906 HydrophobicContact CD1-CB 3.87Å; F818-I906 HydrophobicContact CD1-CG1 4.2Å; F818-I906 HydrophobicContact CD2-CD1 4.47Å; F818-I906 HydrophobicContact CE1-CB 3.77Å; F818-I906 HydrophobicContact CE1-CD1 4.36Å; F818-I906 HydrophobicContact CE1-CG1 4.23Å; F818-I906 HydrophobicContact CE2-CD1 4.13Å; F818-I906 HydrophobicContact CG-CG1 4.36Å; F818-I906 HydrophobicContact CZ-CB 4.33Å; F818-I906 HydrophobicContact CZ-CD1 4.06Å; F818-I906 HydrophobicContact CZ-CG1 4.42Å
819	E	89.9	Confident	90.4	Very high	47 Å²	47	30 Å²	30	22%	0.22	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.7	-176.8	-170.4	165.4	166.9	0	0	113.2	R788 G821 Y907 P949	R788-E819 PolarHBondContact NH1-O 3.42Å; E819-G821 VanDerWaalsContact C-N 3.28Å; E819-G821 PolarHBondContact O-N 3.47Å; E819-Y907 HydrophobicContact CB-CE2 3.79Å; E819-Y907 HydrophobicContact CG-CE2 4.45Å; E819-Y907 PolarHBondContact OE2-OH 3.09Å; E819-Y907 VanDerWaalsContact OE2-OH 3.05Å; E819-P949 WeakPolarHBondContact OE1-CD 3.36Å; E819-P949 WeakPolarHBondContact OE1-CG 3.43Å
820	N	85.9	Confident	91	Very high	120 Å²	120	30.7 Å²	30.7	64%	0.642	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-3	-179.2	-67.1	-70.9	0	0	0	114.1	F818 E904	F818-N820 PolarHBondContact O-N 3.03Å; N820-E904 PolarHBondContact ND2-OE1 3.5Å
821	G	88	Confident	91.6	Very high	9 Å²	9	28.9 Å²	28.9	9%	0.093	15%	0.146	C	C	.	.	S	Bend	trans	-77.5	161	-175	0	0	0	0	0	115.1	R788 F818 E819 D828	R788-G821 PolarHBondContact NH1-O 3.15Å; R788-G821 PolarHBondContact NH2-O 2.85Å; F818-G821 PolarHBondContact O-N 3.36Å; E819-G821 VanDerWaalsContact C-N 3.28Å; E819-G821 PolarHBondContact O-N 3.47Å; G821-D828 VanDerWaalsContact CA-OD2 3.3Å; G821-D828 WeakPolarHBondContact CA-OD2 3.2Å
822	S	91.3	Very high	92	Very high	38 Å²	38	27.9 Å²	27.9	27%	0.266	14%	0.141	S	C	.	.			trans	-54.6	142.3	165	175.9	0	0	0	0	111.5	D824 D828	S822-D824 WeakPolarHBondContact CB-O 3.43Å; S822-D824 PolarHBondContact OG-N 2.87Å; S822-D824 PolarHBondContact OG-O 3.49Å; S822-D828 PolarHBondContact N-OD2 2.9Å
823	L	93.2	Very high	92.1	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.168	14%	0.139	C	C	.	.	S	Bend	trans	-81.4	-20.1	168.7	-73	179.5	0	0	0	112.8	V761 G786 R788 L825	V761-L823 VanDerWaalsContact C-CD1 3.45Å; G786-L823 WeakPolarHBondContact CA-O 3.44Å; R788-L823 HydrophobicContact CG-CD2 4.29Å; R788-L823 VanDerWaalsContact NH2-CD2 3.34Å; L823-L825 PolarHBondContact O-N 3Å
824	D	91.4	Very high	92.1	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.171	14%	0.139	C	C	.	.	S	Bend	trans	-80.7	109.9	159	-169.5	27.6	0	0	0	108.9	R813 S822 V827 S911	R813-D824 IonicContact CZ-OD1 3.28Å; R813-D824 IonicContact CZ-OD2 3.55Å; R813-D824 IonicContact NH1-OD1 2.81Å; R813-D824 PolarHBondContact NH1-OD1 3.24Å; R813-D824 IonicContact NH1-OD2 2.69Å; R813-D824 PolarHBondContact NH1-OD2 2.81Å; R813-D824 IonicContact NH2-OD1 2.74Å; R813-D824 IonicContact NH2-OD2 3.45Å; R813-D824 PolarHBondContact NH2-OD2 3.46Å; S822-D824 WeakPolarHBondContact CB-O 3.43Å; S822-D824 PolarHBondContact OG-N 2.87Å; S822-D824 PolarHBondContact OG-O 3.49Å; D824-V827 HydrophobicContact CB-CG2 3.99Å; D824-V827 WeakPolarHBondContact OD2-CG2 3.25Å; D824-S911 WeakPolarHBondContact OD1-CB 3.42Å; D824-S911 PolarHBondContact OD1-OG 2.78Å
825	L	93.5	Very high	91.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	133.2	-162.8	-171.8	65.1	0	0	0	111.5	R813 L823 V827 A909 S911	R813-L825 HydrophobicContact CB-CB 4.21Å; R813-L825 HydrophobicContact CB-CD2 4.38Å; R813-L825 WeakPolarHBondContact CD-O 3.49Å; R813-L825 PolarHBondContact NH1-O 2.96Å; L823-L825 PolarHBondContact O-N 3Å; L825-V827 VanDerWaalsContact C-N 3.32Å; L825-V827 PolarHBondContact O-N 3.13Å; L825-A909 HydrophobicContact CD1-CB 4.02Å; L825-S911 PolarHBondContact N-OG 2.89Å; L825-S911 VanDerWaalsContact N-OG 3.17Å
826	G	89.3	Confident	91.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-3.3	177.6	0	0	0	0	0	115.9	D828 L851 H852 G853 D854	G826-D828 VanDerWaalsContact C-N 3.26Å; G826-D828 PolarHBondContact O-N 3Å; G826-L851 WeakPolarHBondContact CA-O 3.14Å; G826-H852 CarbonylContact O-C 3.53Å; G826-H852 VanDerWaalsContact O-C 3.25Å; G826-H852 VanDerWaalsContact O-CA 3.3Å; G826-H852 WeakPolarHBondContact O-CA 3.46Å; G826-H852 PolarHBondContact O-N 2.66Å; G826-G853 PolarHBondContact O-N 3.29Å; G826-D854 PolarHBondContact O-N 2.82Å
827	V	88.9	Confident	90.3	Very high	55 Å²	55	29 Å²	29	33%	0.333	15%	0.149	S	C	.	.	S	Bend	trans	-71.3	-22.6	175.4	-179.9	0	0	0	0	112.1	D824 L825 D854	D824-V827 HydrophobicContact CB-CG2 3.99Å; D824-V827 WeakPolarHBondContact OD2-CG2 3.25Å; L825-V827 VanDerWaalsContact C-N 3.32Å; L825-V827 PolarHBondContact O-N 3.13Å; V827-D854 PolarHBondContact O-N 3.01Å
828	D	90.3	Very high	89	Confident	38 Å²	38	36 Å²	36	20%	0.203	18%	0.176	C	C	.	.	S	Bend	trans	-121.4	175.9	175.1	77.1	3.4	0	0	0	112.6	G821 S822 G826 F830 G831 G853	G821-D828 VanDerWaalsContact CA-OD2 3.3Å; G821-D828 WeakPolarHBondContact CA-OD2 3.2Å; S822-D828 PolarHBondContact N-OD2 2.9Å; G826-D828 VanDerWaalsContact C-N 3.26Å; G826-D828 PolarHBondContact O-N 3Å; D828-F830 PolarHBondContact O-N 3.07Å; D828-F830 WeakPolarHBondContact OD1-CA 3.37Å; D828-F830 PolarHBondContact OD1-N 2.81Å; D828-G831 PolarHBondContact OD1-N 3.48Å; D828-G853 VanDerWaalsContact C-CA 3.47Å; D828-G853 WeakPolarHBondContact O-CA 3.42Å; D828-G853 PolarHBondContact O-N 2.91Å
829	R	89.1	Confident	87.5	Confident	158 Å²	158	40.3 Å²	40.3	60%	0.596	20%	0.198	S	C	*	.	S	Bend	trans	-75.6	7.1	180	69.9	167.7	-146.2	178.7	9.3	114.6	H852	R829-H852 VanDerWaalsContact C-CE1 3.45Å; R829-H852 PolarHBondContact O-CE1 2.95Å; R829-H852 VanDerWaalsContact O-CE1 3.23Å
830	F	91.3	Very high	86.1	Confident	41 Å²	41	38.7 Å²	38.7	18%	0.18	19%	0.194	C	C	.	.	S	Bend	trans	-117.5	-22.2	-175.2	-63.3	-73.4	0	0	0	112.1	S817 F818 D828 L899	S817-F830 WeakPolarHBondContact CA-O 3.35Å; F818-F830 HydrophobicContact CB-CB 4.38Å; F818-F830 HydrophobicContact CD2-CB 4.38Å; F818-F830 HydrophobicContact CD2-CD1 4.29Å; F818-F830 WeakPolarHBondContact CD2-O 3.34Å; F818-F830 PolarHBondContact N-O 3.06Å; F818-F830 VanDerWaalsContact N-O 3.13Å; D828-F830 PolarHBondContact O-N 3.07Å; D828-F830 WeakPolarHBondContact OD1-CA 3.37Å; D828-F830 PolarHBondContact OD1-N 2.81Å; F830-L899 HydrophobicContact CE1-CD2 4.48Å
831	G	92.4	Very high	84.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.4	165.1	0	0	0	0	0	113.5	W816 D828 H852	W816-G831 CarbonylContact O-C 3.51Å; D828-G831 PolarHBondContact OD1-N 3.48Å; G831-H852 PolarHBondContact O-ND1 2.82Å
832	F	95.2	Very high	83.1	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110	171.7	-54.2	-94.8	0	0	0	107.8	G815 W816 F818 H852 I880 W882 Y893 I895 I906	G815-F832 WeakPolarHBondContact CA-O 3.36Å; W816-F832 PolarHBondContact N-O 2.69Å; W816-F832 PolarHBondContact O-N 3.35Å; F818-F832 HydrophobicContact CD2-CE2 4.4Å; F818-F832 AromaticContact CE2-CE2 3.9Å; F818-F832 HydrophobicContact CE2-CE2 3.9Å; F832-H852 HydrophobicContact CD1-CB 4.33Å; F832-H852 AromaticContact CD1-CE1 3.75Å; F832-H852 AromaticContact CD1-CG 3.88Å; F832-H852 AromaticContact CD1-ND1 3.32Å; F832-H852 VanDerWaalsContact CD1-ND1 3.32Å; F832-H852 WeakPolarHBondContact CD1-ND1 3.36Å; F832-H852 AromaticContact CE1-CE1 3.2Å; F832-H852 WeakPolarHBondContact CE1-CE1 3.24Å; F832-H852 AromaticContact CE1-ND1 3.32Å; F832-H852 VanDerWaalsContact CE1-ND1 3.32Å; F832-H852 WeakPolarHBondContact CE1-ND1 3.48Å; F832-H852 AromaticContact CE1-NE2 3.88Å; F832-H852 AromaticContact CG-ND1 3.97Å; F832-H852 AromaticContact CZ-CE1 3.57Å; F832-H852 AromaticContact CZ-ND1 3.94Å; F832-I880 HydrophobicContact CB-CD1 3.68Å; F832-I880 HydrophobicContact CD1-CD1 3.8Å; F832-I880 HydrophobicContact CD2-CD1 3.56Å; F832-I880 HydrophobicContact CE1-CD1 4.28Å; F832-I880 HydrophobicContact CE2-CD1 4.08Å; F832-I880 HydrophobicContact CG-CD1 3.4Å; F832-I880 VanDerWaalsContact CG-CD1 3.4Å; F832-I880 HydrophobicContact CZ-CD1 4.41Å; F832-W882 HydrophobicContact CB-CH2 4.42Å; F832-Y893 HydrophobicContact CB-CD2 4.13Å; F832-Y893 HydrophobicContact CB-CE2 4.29Å; F832-Y893 HydrophobicContact CD1-CD1 4.29Å; F832-Y893 AromaticContact CD1-CD2 3.82Å; F832-Y893 HydrophobicContact CD1-CD2 3.82Å; F832-Y893 HydrophobicContact CD1-CE2 4.34Å; F832-Y893 AromaticContact CD1-CG 3.79Å; F832-Y893 HydrophobicContact CD1-CG 3.79Å; F832-Y893 HydrophobicContact CE1-CG 4.39Å; F832-Y893 HydrophobicContact CG-CD2 4.44Å; F832-I895 HydrophobicContact CZ-CG1 4.14Å; F832-I906 HydrophobicContact CD2-CD1 4.23Å; F832-I906 HydrophobicContact CE2-CD1 4.22Å
833	G	93.8	Very high	81.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.7	-174.2	0	0	0	0	0	113.7	K850 L851	G833-K850 CarbonylContact O-C 3.53Å; G833-K850 VanDerWaalsContact O-CA 3.32Å; G833-K850 WeakPolarHBondContact O-CA 3.3Å; G833-L851 PolarHBondContact N-O 3.46Å; G833-L851 PolarHBondContact O-N 3.25Å
834	Y	94	Very high	79	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.3	170.9	174.6	-113.6	0	0	0	110.9	R813 I814 K849 Y859 E861 F863 I869 W882 F889	R813-Y834 CarbonylContact C-O 3.56Å; R813-Y834 WeakPolarHBondContact CA-O 3.24Å; I814-Y834 PolarHBondContact N-O 3.4Å; I814-Y834 PolarHBondContact O-N 2.9Å; Y834-K849 WeakPolarHBondContact CA-O 3.34Å; Y834-K849 WeakPolarHBondContact CD2-O 3.42Å; Y834-Y859 AromaticContact CD2-CD1 3.58Å; Y834-Y859 HydrophobicContact CD2-CD1 3.58Å; Y834-Y859 AromaticContact CD2-CE1 3.9Å; Y834-Y859 HydrophobicContact CD2-CE1 3.9Å; Y834-Y859 AromaticContact CE2-CD1 3.63Å; Y834-Y859 HydrophobicContact CE2-CD1 3.63Å; Y834-Y859 HydrophobicContact CE2-CE1 4.05Å; Y834-Y859 WeakPolarHBondContact CE2-O 3.3Å; Y834-E861 PolarHBondContact OH-N 3.09Å; Y834-E861 PolarHBondContact OH-O 3.32Å; Y834-F863 HydrophobicContact CD1-CD1 4.33Å; Y834-F863 AromaticContact CD1-CE1 3.86Å; Y834-F863 HydrophobicContact CD1-CE1 3.86Å; Y834-F863 AromaticContact CE1-CD1 3.7Å; Y834-F863 HydrophobicContact CE1-CD1 3.7Å; Y834-F863 AromaticContact CE1-CE1 3.68Å; Y834-F863 HydrophobicContact CE1-CE1 3.68Å; Y834-I869 HydrophobicContact CD1-CG2 3.95Å; Y834-I869 HydrophobicContact CE1-CD1 4.29Å; Y834-I869 HydrophobicContact CE1-CG2 4.24Å; Y834-W882 VanDerWaalsContact CB-CD2 3.41Å; Y834-W882 VanDerWaalsContact CB-CE2 3.42Å; Y834-W882 HydrophobicContact CD1-CB 3.98Å; Y834-W882 HydrophobicContact CD1-CD2 4.4Å; Y834-W882 AromaticContact CD1-CG 3.91Å; Y834-W882 HydrophobicContact CD1-CG 3.91Å; Y834-W882 HydrophobicContact CE1-CB 4.44Å; Y834-W882 HydrophobicContact CG-CB 4.22Å; Y834-W882 AromaticContact CG-CD2 3.93Å; Y834-W882 HydrophobicContact CG-CD2 3.93Å; Y834-W882 HydrophobicContact CG-CE3 4.23Å; Y834-W882 AromaticContact CG-CG 3.92Å; Y834-W882 HydrophobicContact CG-CG 3.92Å; Y834-F889 AromaticContact CE1-CE2 3.95Å; Y834-F889 HydrophobicContact CE1-CE2 3.95Å; Y834-F889 HydrophobicContact CE2-CE2 4.39Å; Y834-F889 AromaticContact CZ-CE2 3.61Å; Y834-F889 VanDerWaalsContact OH-CE2 3.22Å; Y834-F889 WeakPolarHBondContact OH-CE2 3.5Å
835	G	90.5	Very high	76.9	Confident	7 Å²	7	44 Å²	44	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-121.4	179.7	0	0	0	0	0	114	A812 K849	A812-G835 WeakPolarHBondContact O-CA 3.27Å; G835-K849 PolarHBondContact N-O 3.09Å; G835-K849 VanDerWaalsContact O-CB 3.29Å; G835-K849 WeakPolarHBondContact O-CB 3.47Å; G835-K849 PolarHBondContact O-N 3.4Å
836	A	83.8	Confident	75.2	Confident	8 Å²	8	46.4 Å²	46.4	7%	0.066	24%	0.24	C	C	.	.			trans	-108.6	149.2	-178.8	0	0	0	0	0	112.9	L811 A812 R813	L811-A836 HydrophobicContact CB-CB 4.43Å; L811-A836 HydrophobicContact CD2-CB 3.81Å; A812-A836 PolarHBondContact O-N 2.96Å; A812-A836 VanDerWaalsContact O-N 3.11Å; R813-A836 VanDerWaalsContact CG-O 3.26Å; R813-A836 WeakPolarHBondContact CG-O 3.32Å; R813-A836 PolarHBondContact NE-O 3.1Å
837	D	76.8	Confident	74.4	Confident	14 Å²	14	51 Å²	51	8%	0.075	26%	0.262	C	S	.	.			trans	-79.7	175.2	177.9	68	36.1	0	0	0	114.1	W784 D839 G840 F841 K849 L851 I856	W784-D837 WeakPolarHBondContact CZ2-O 3.42Å; D837-D839 PolarHBondContact O-N 2.69Å; D837-D839 PolarHBondContact OD1-N 2.88Å; D837-G840 PolarHBondContact O-N 3.1Å; D837-G840 PolarHBondContact OD1-N 3.14Å; D837-G840 VanDerWaalsContact OD1-N 3.12Å; D837-F841 PolarHBondContact OD1-N 2.82Å; D837-F841 WeakPolarHBondContact OD2-CB 3.48Å; D837-K849 HydrophobicContact CB-CG 4.38Å; D837-K849 WeakPolarHBondContact OD2-CE 3.47Å; D837-L851 HydrophobicContact CB-CD2 4.46Å; D837-I856 HydrophobicContact CB-CD1 3.82Å; D837-I856 HydrophobicContact CB-CG1 3.99Å; D837-I856 HydrophobicContact CB-CG2 3.73Å
838	R	66.6	Low	74.2	Confident	148 Å²	148	48.5 Å²	48.5	56%	0.558	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.1	-174	-166.7	-162.9	67.9	-159	-6.7	113
839	D	62.8	Low	74.2	Confident	94 Å²	94	48.3 Å²	48.3	50%	0.503	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.3	-175.5	-56.6	-12.4	0	0	0	111.5	D837 F841	D837-D839 PolarHBondContact O-N 2.69Å; D837-D839 PolarHBondContact OD1-N 2.88Å; D839-F841 HydrophobicContact CB-CD2 3.92Å; D839-F841 HydrophobicContact CB-CE2 3.95Å
840	G	60.5	Low	74.3	Confident	13 Å²	13	42.1 Å²	42.1	13%	0.134	22%	0.221	C	C	.	.			trans	85.7	9.6	173.7	0	0	0	0	0	115.4	D837 G842 I843	D837-G840 PolarHBondContact O-N 3.1Å; D837-G840 PolarHBondContact OD1-N 3.14Å; D837-G840 VanDerWaalsContact OD1-N 3.12Å; G840-G842 PolarHBondContact O-N 2.93Å; G840-I843 WeakPolarHBondContact O-CG1 3.49Å
841	F	55	Low	74.3	Confident	112 Å²	112	40.3 Å²	40.3	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	94.7	-177.6	-67.6	-81	0	0	0	111.4	D837 D839 K849	D837-F841 PolarHBondContact OD1-N 2.82Å; D837-F841 WeakPolarHBondContact OD2-CB 3.48Å; D839-F841 HydrophobicContact CB-CD2 3.92Å; D839-F841 HydrophobicContact CB-CE2 3.95Å; F841-K849 WeakPolarHBondContact O-CE 3.29Å; F841-K849 WeakPolarHBondContact O-CG 3.29Å
842	G	56.1	Low	74.3	Confident	16 Å²	16	42.5 Å²	42.5	17%	0.165	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	177.4	-21.7	176.8	0	0	0	0	0	112.8	G840 A862	G840-G842 PolarHBondContact O-N 2.93Å; G842-A862 WeakPolarHBondContact O-CB 3.43Å
843	I	49.7	Very low	74	Confident	83 Å²	83	43.8 Å²	43.8	43%	0.426	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-42.4	-176.5	-41.8	161.9	0	0	0	112.4	L811 G840 G845 T1127	L811-I843 HydrophobicContact CD2-CD1 3.46Å; L811-I843 VanDerWaalsContact CD2-CD1 3.46Å; L811-I843 HydrophobicContact CD2-CG1 3.54Å; G840-I843 WeakPolarHBondContact O-CG1 3.49Å; I843-G845 PolarHBondContact O-N 3.42Å; I843-T1127 WeakPolarHBondContact O-CG2 3.5Å
844	N	48.1	Very low	73.6	Confident	102 Å²	102	48.2 Å²	48.2	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	29.8	-162	-66.6	4.3	0	0	0	113.8
845	G	48.2	Very low	73.3	Confident	30 Å²	30	53.4 Å²	53.4	31%	0.309	29%	0.288	S	S	.	.	S	Bend	trans	-167.2	164.5	179.8	0	0	0	0	0	112.5	I843 Q847 A862	I843-G845 PolarHBondContact O-N 3.42Å; G845-Q847 PolarHBondContact O-N 2.83Å; G845-A862 WeakPolarHBondContact O-CB 3.34Å
846	S	56.5	Low	73.1	Confident	52 Å²	52	56.2 Å²	56.2	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-73.7	22	-169.3	57.2	0	0	0	0	115.9
847	Q	73.8	Confident	73.3	Confident	97 Å²	97	60.4 Å²	60.4	45%	0.453	32%	0.319	S	S	.	.			trans	-134.9	126	-167.9	-62.8	-69.4	-90.2	0	0	111.2	G845	G845-Q847 PolarHBondContact O-N 2.83Å
848	G	83.5	Confident	73.9	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.01	34%	0.342	C	S	.	.			trans	-81.8	172.8	173.1	0	0	0	0	0	112.8	Y859 G860	G848-Y859 CarbonylContact C-O 3.5Å; G848-Y859 WeakPolarHBondContact CA-O 3.47Å; G848-Y859 PolarHBondContact N-O 2.64Å; G848-Y859 PolarHBondContact O-N 2.74Å; G848-G860 PolarHBondContact N-O 2.9Å
849	K	89.7	Confident	75	Confident	34 Å²	34	58.8 Å²	58.8	15%	0.148	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.4	169.6	-55.7	-63.3	-168.3	166.9	0	110.7	Y834 G835 D837 F841 L851 I856 E857 N858	Y834-K849 WeakPolarHBondContact CA-O 3.34Å; Y834-K849 WeakPolarHBondContact CD2-O 3.42Å; G835-K849 PolarHBondContact N-O 3.09Å; G835-K849 VanDerWaalsContact O-CB 3.29Å; G835-K849 WeakPolarHBondContact O-CB 3.47Å; G835-K849 PolarHBondContact O-N 3.4Å; D837-K849 HydrophobicContact CB-CG 4.38Å; D837-K849 WeakPolarHBondContact OD2-CE 3.47Å; F841-K849 WeakPolarHBondContact O-CE 3.29Å; F841-K849 WeakPolarHBondContact O-CG 3.29Å; K849-L851 HydrophobicContact CB-CD1 3.94Å; K849-I856 HydrophobicContact CB-CG2 4.3Å; K849-I856 HydrophobicContact CD-CG2 3.84Å; K849-I856 HydrophobicContact CG-CG2 4.19Å; K849-E857 CarbonylContact C-O 3.59Å; K849-E857 VanDerWaalsContact CA-O 3.32Å; K849-E857 WeakPolarHBondContact CA-O 3.16Å; K849-N858 PolarHBondContact NZ-OD1 3.04Å
850	K	92.6	Very high	76.1	Confident	29 Å²	29	55 Å²	55	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.1	157.8	65.6	174.1	-175	163.8	0	109.2	G833 E857 Y859 A892 Y893	G833-K850 CarbonylContact O-C 3.53Å; G833-K850 VanDerWaalsContact O-CA 3.32Å; G833-K850 WeakPolarHBondContact O-CA 3.3Å; K850-E857 WeakPolarHBondContact CE-OE2 3.36Å; K850-E857 HydrophobicContact CG-CB 4.05Å; K850-E857 PolarHBondContact N-O 3.07Å; K850-E857 IonicContact NZ-OE2 3.21Å; K850-E857 PolarHBondContact NZ-OE2 3.28Å; K850-E857 PolarHBondContact O-N 2.97Å; K850-Y859 HydrophobicContact CB-CD1 4.17Å; K850-Y859 HydrophobicContact CB-CG 4.21Å; K850-Y859 HydrophobicContact CD-CD2 4.25Å; K850-Y859 HydrophobicContact CD-CG 4.02Å; K850-Y859 HydrophobicContact CG-CG 4.23Å; K850-A892 HydrophobicContact CD-CB 4.01Å; K850-A892 PolarHBondContact NZ-O 3.04Å; K850-Y893 HydrophobicContact CB-CE2 3.92Å; K850-Y893 WeakPolarHBondContact CB-OH 3.38Å; K850-Y893 HydrophobicContact CD-CE1 4.09Å; K850-Y893 HydrophobicContact CD-CE2 4.08Å; K850-Y893 HydrophobicContact CG-CE2 4.33Å; K850-Y893 WeakPolarHBondContact CG-OH 3.41Å
851	L	91.5	Very high	77.4	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.5	-177.4	-69.1	95.3	0	0	0	112.1	R813 G826 G833 D837 K849 I855 I856 Y893	R813-L851 HydrophobicContact CG-CD1 4.21Å; G826-L851 WeakPolarHBondContact CA-O 3.14Å; G833-L851 PolarHBondContact N-O 3.46Å; G833-L851 PolarHBondContact O-N 3.25Å; D837-L851 HydrophobicContact CB-CD2 4.46Å; K849-L851 HydrophobicContact CB-CD1 3.94Å; L851-I855 WeakPolarHBondContact CA-O 3.33Å; L851-I856 HydrophobicContact CD2-CD1 4.43Å; L851-I856 HydrophobicContact CD2-CG1 3.68Å; L851-I856 HydrophobicContact CG-CG1 3.89Å; L851-Y893 WeakPolarHBondContact CA-OH 3.3Å; L851-Y893 PolarHBondContact N-OH 2.77Å; L851-Y893 PolarHBondContact O-OH 3.49Å
852	H	91.4	Very high	78.9	Confident	47 Å²	47	51.1 Å²	51.1	22%	0.218	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	132.3	173.6	175.4	73.6	0	0	0	110.4	G826 R829 G831 F832 D854 I855 Y893	G826-H852 CarbonylContact O-C 3.53Å; G826-H852 VanDerWaalsContact O-C 3.25Å; G826-H852 VanDerWaalsContact O-CA 3.3Å; G826-H852 WeakPolarHBondContact O-CA 3.46Å; G826-H852 PolarHBondContact O-N 2.66Å; R829-H852 VanDerWaalsContact C-CE1 3.45Å; R829-H852 PolarHBondContact O-CE1 2.95Å; R829-H852 VanDerWaalsContact O-CE1 3.23Å; G831-H852 PolarHBondContact O-ND1 2.82Å; F832-H852 HydrophobicContact CD1-CB 4.33Å; F832-H852 AromaticContact CD1-CE1 3.75Å; F832-H852 AromaticContact CD1-CG 3.88Å; F832-H852 AromaticContact CD1-ND1 3.32Å; F832-H852 VanDerWaalsContact CD1-ND1 3.32Å; F832-H852 WeakPolarHBondContact CD1-ND1 3.36Å; F832-H852 AromaticContact CE1-CE1 3.2Å; F832-H852 WeakPolarHBondContact CE1-CE1 3.24Å; F832-H852 AromaticContact CE1-ND1 3.32Å; F832-H852 VanDerWaalsContact CE1-ND1 3.32Å; F832-H852 WeakPolarHBondContact CE1-ND1 3.48Å; F832-H852 AromaticContact CE1-NE2 3.88Å; F832-H852 AromaticContact CG-ND1 3.97Å; F832-H852 AromaticContact CZ-CE1 3.57Å; F832-H852 AromaticContact CZ-ND1 3.94Å; H852-D854 VanDerWaalsContact C-N 3.29Å; H852-D854 PolarHBondContact O-N 2.85Å; H852-I855 PolarHBondContact N-O 3.24Å; H852-I855 VanDerWaalsContact N-O 3.09Å; H852-I855 WeakPolarHBondContact O-CA 3.31Å; H852-I855 VanDerWaalsContact O-CB 3.3Å; H852-I855 WeakPolarHBondContact O-CB 3.46Å; H852-I855 PolarHBondContact O-N 3.04Å; H852-Y893 HydrophobicContact CB-CD1 4.29Å; H852-Y893 HydrophobicContact CB-CE1 3.52Å; H852-Y893 HydrophobicContact CB-CE2 4.37Å; H852-Y893 PolarHBondContact N-OH 3.39Å
853	G	88.9	Confident	80.4	Confident	31 Å²	31	52 Å²	52	32%	0.32	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	30.6	178.7	0	0	0	0	0	114.9	G826 D828 I855	G826-G853 PolarHBondContact O-N 3.29Å; D828-G853 VanDerWaalsContact C-CA 3.47Å; D828-G853 WeakPolarHBondContact O-CA 3.42Å; D828-G853 PolarHBondContact O-N 2.91Å; G853-I855 PolarHBondContact O-N 3.15Å
854	D	85.5	Confident	82.1	Confident	93 Å²	93	51.7 Å²	51.7	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	8.1	-169.3	-151.1	36.5	0	0	0	114	G826 V827 H852	G826-D854 PolarHBondContact O-N 2.82Å; V827-D854 PolarHBondContact O-N 3.01Å; H852-D854 VanDerWaalsContact C-N 3.29Å; H852-D854 PolarHBondContact O-N 2.85Å
855	I	88.1	Confident	83.9	Confident	108 Å²	108	50 Å²	50	55%	0.554	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	122.9	172.4	-52.4	176	0	0	0	108.8	L851 H852 G853 E857	L851-I855 WeakPolarHBondContact CA-O 3.33Å; H852-I855 PolarHBondContact N-O 3.24Å; H852-I855 VanDerWaalsContact N-O 3.09Å; H852-I855 WeakPolarHBondContact O-CA 3.31Å; H852-I855 VanDerWaalsContact O-CB 3.3Å; H852-I855 WeakPolarHBondContact O-CB 3.46Å; H852-I855 PolarHBondContact O-N 3.04Å; G853-I855 PolarHBondContact O-N 3.15Å; I855-E857 HydrophobicContact CG2-CG 4.16Å
856	I	86.2	Confident	85.9	Confident	66 Å²	66	52.4 Å²	52.4	34%	0.338	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.6	-179.5	-64.5	146.3	0	0	0	108.8	D837 K849 L851	D837-I856 HydrophobicContact CB-CD1 3.82Å; D837-I856 HydrophobicContact CB-CG1 3.99Å; D837-I856 HydrophobicContact CB-CG2 3.73Å; K849-I856 HydrophobicContact CB-CG2 4.3Å; K849-I856 HydrophobicContact CD-CG2 3.84Å; K849-I856 HydrophobicContact CG-CG2 4.19Å; L851-I856 HydrophobicContact CD2-CD1 4.43Å; L851-I856 HydrophobicContact CD2-CG1 3.68Å; L851-I856 HydrophobicContact CG-CG1 3.89Å
857	E	88.2	Confident	87.6	Confident	96 Å²	96	50.2 Å²	50.2	45%	0.449	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.4	176.9	-60.5	-168.7	139.9	0	0	111.2	K849 K850 I855	K849-E857 CarbonylContact C-O 3.59Å; K849-E857 VanDerWaalsContact CA-O 3.32Å; K849-E857 WeakPolarHBondContact CA-O 3.16Å; K850-E857 WeakPolarHBondContact CE-OE2 3.36Å; K850-E857 HydrophobicContact CG-CB 4.05Å; K850-E857 PolarHBondContact N-O 3.07Å; K850-E857 IonicContact NZ-OE2 3.21Å; K850-E857 PolarHBondContact NZ-OE2 3.28Å; K850-E857 PolarHBondContact O-N 2.97Å; I855-E857 HydrophobicContact CG2-CG 4.16Å
858	N	88.2	Confident	88.6	Confident	105 Å²	105	45.8 Å²	45.8	56%	0.561	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.4	172	-67.2	-11.9	0	0	0	109.8	K849	K849-N858 PolarHBondContact NZ-OD1 3.04Å
859	Y	89.7	Confident	89.2	Confident	24 Å²	24	45.7 Å²	45.7	9%	0.094	23%	0.234	C	C	.	.			trans	-160.9	141.9	178.9	168.9	-90.8	0	0	0	109	Y834 G848 K850 W882 F889 G890 A892	Y834-Y859 AromaticContact CD2-CD1 3.58Å; Y834-Y859 HydrophobicContact CD2-CD1 3.58Å; Y834-Y859 AromaticContact CD2-CE1 3.9Å; Y834-Y859 HydrophobicContact CD2-CE1 3.9Å; Y834-Y859 AromaticContact CE2-CD1 3.63Å; Y834-Y859 HydrophobicContact CE2-CD1 3.63Å; Y834-Y859 HydrophobicContact CE2-CE1 4.05Å; Y834-Y859 WeakPolarHBondContact CE2-O 3.3Å; G848-Y859 CarbonylContact C-O 3.5Å; G848-Y859 WeakPolarHBondContact CA-O 3.47Å; G848-Y859 PolarHBondContact N-O 2.64Å; G848-Y859 PolarHBondContact O-N 2.74Å; K850-Y859 HydrophobicContact CB-CD1 4.17Å; K850-Y859 HydrophobicContact CB-CG 4.21Å; K850-Y859 HydrophobicContact CD-CD2 4.25Å; K850-Y859 HydrophobicContact CD-CG 4.02Å; K850-Y859 HydrophobicContact CG-CG 4.23Å; Y859-W882 HydrophobicContact CE1-CB 4.26Å; Y859-W882 AromaticContact CE1-CE3 3.72Å; Y859-W882 HydrophobicContact CE1-CE3 3.72Å; Y859-W882 PolarHBondContact OH-N 2.81Å; Y859-F889 HydrophobicContact CE1-CB 4.07Å; Y859-F889 AromaticContact CE1-CD2 3.94Å; Y859-F889 HydrophobicContact CE1-CD2 3.94Å; Y859-F889 HydrophobicContact CE1-CG 4.45Å; Y859-F889 HydrophobicContact CE2-CB 3.99Å; Y859-G890 VanDerWaalsContact CE2-O 3.3Å; Y859-G890 WeakPolarHBondContact CE2-O 3.37Å; Y859-G890 PolarHBondContact OH-O 3.05Å; Y859-A892 HydrophobicContact CD1-CB 4.46Å; Y859-A892 HydrophobicContact CD2-CB 4.1Å; Y859-A892 HydrophobicContact CE1-CB 4.02Å; Y859-A892 HydrophobicContact CE2-CB 3.61Å; Y859-A892 HydrophobicContact CG-CB 4.5Å
860	G	87.3	Confident	89.5	Confident	14 Å²	14	44.1 Å²	44.1	14%	0.144	23%	0.228	C	C	.	.	S	Bend	trans	61.9	-160.3	177.9	0	0	0	0	0	115.5	G848 F889	G848-G860 PolarHBondContact N-O 2.9Å; G860-F889 VanDerWaalsContact CA-CG 3.48Å
861	E	87.1	Confident	89.7	Confident	30 Å²	30	42.8 Å²	42.8	14%	0.14	22%	0.222	C	C	.	.			trans	-124.8	132.5	-176	-64.7	-173.3	144.7	0	0	111.8	Y834 K884 R887 F889	Y834-E861 PolarHBondContact OH-N 3.09Å; Y834-E861 PolarHBondContact OH-O 3.32Å; E861-K884 HydrophobicContact CB-CD 4.33Å; E861-R887 VanDerWaalsContact CD-NH2 3.34Å; E861-R887 IonicContact OE1-CZ 3.34Å; E861-R887 IonicContact OE1-NH1 2.7Å; E861-R887 PolarHBondContact OE1-NH1 3.42Å; E861-R887 IonicContact OE1-NH2 3.87Å; E861-R887 PolarHBondContact OE1-NH2 3.27Å; E861-R887 IonicContact OE2-CZ 2.87Å; E861-R887 VanDerWaalsContact OE2-CZ 3.28Å; E861-R887 IonicContact OE2-NE 3.26Å; E861-R887 IonicContact OE2-NH1 2.67Å; E861-R887 PolarHBondContact OE2-NH1 3.09Å; E861-R887 IonicContact OE2-NH2 2.92Å; E861-F889 HydrophobicContact CB-CE1 4.03Å; E861-F889 HydrophobicContact CB-CZ 4Å; E861-F889 HydrophobicContact CG-CE1 3.94Å; E861-F889 HydrophobicContact CG-CZ 4.43Å; E861-F889 VanDerWaalsContact N-CZ 3.26Å
862	A	87	Confident	89.9	Confident	13 Å²	13	43.2 Å²	43.2	11%	0.107	22%	0.224	C	C	.	.			trans	-50.2	143	179.4	0	0	0	0	0	112.6	G842 G845 K884	G842-A862 WeakPolarHBondContact O-CB 3.43Å; G845-A862 WeakPolarHBondContact O-CB 3.34Å; A862-K884 PolarHBondContact O-NZ 3.35Å
863	F	87	Confident	90.1	Very high	35 Å²	35	41 Å²	41	15%	0.154	21%	0.213	C	C	.	.			trans	-124.4	167.4	-176.2	59.5	-114	0	0	0	112.5	I805 A812 I814 Y834 D867 I869 K884	I805-F863 HydrophobicContact CD1-CD2 3.63Å; I805-F863 HydrophobicContact CD1-CE2 3.66Å; I805-F863 HydrophobicContact CD1-CG 4.47Å; I805-F863 HydrophobicContact CD1-CZ 4.5Å; I805-F863 HydrophobicContact CG1-CD2 3.74Å; I805-F863 HydrophobicContact CG1-CE2 4.28Å; I805-F863 HydrophobicContact CG1-CG 4.43Å; A812-F863 HydrophobicContact CB-CE2 4.19Å; A812-F863 HydrophobicContact CB-CZ 4.4Å; I814-F863 HydrophobicContact CD1-CE2 4.42Å; I814-F863 HydrophobicContact CD1-CZ 4.01Å; Y834-F863 HydrophobicContact CD1-CD1 4.33Å; Y834-F863 AromaticContact CD1-CE1 3.86Å; Y834-F863 HydrophobicContact CD1-CE1 3.86Å; Y834-F863 AromaticContact CE1-CD1 3.7Å; Y834-F863 HydrophobicContact CE1-CD1 3.7Å; Y834-F863 AromaticContact CE1-CE1 3.68Å; Y834-F863 HydrophobicContact CE1-CE1 3.68Å; F863-D867 HydrophobicContact CB-CB 4.32Å; F863-I869 HydrophobicContact CB-CD1 3.81Å; F863-I869 HydrophobicContact CD1-CD1 3.53Å; F863-I869 HydrophobicContact CD1-CG1 3.85Å; F863-I869 HydrophobicContact CE1-CD1 4.28Å; F863-I869 HydrophobicContact CE1-CG1 4.17Å; F863-I869 HydrophobicContact CG-CD1 3.84Å; F863-I869 HydrophobicContact CG-CG1 4.16Å; F863-K884 HydrophobicContact CB-CD 4.48Å
864	R	85.2	Confident	90.3	Very high	76 Å²	76	40.7 Å²	40.7	29%	0.287	20%	0.204	S	C	.	.			trans	-165.5	178.6	-167.3	50.2	158.1	-162.3	152.4	8.9	108.5	I805 D867 T1128	I805-R864 WeakPolarHBondContact CB-O 3.38Å; R864-D867 WeakPolarHBondContact CG-OD2 3.44Å; R864-D867 PolarHBondContact N-OD2 2.9Å; R864-D867 IonicContact NE-OD1 3.32Å; R864-D867 IonicContact NE-OD2 2.64Å; R864-D867 PolarHBondContact NE-OD2 3.31Å; R864-D867 IonicContact NH2-OD1 2.83Å; R864-D867 VanDerWaalsContact O-CB 3.3Å; R864-D867 WeakPolarHBondContact O-CB 3.19Å; R864-D867 PolarHBondContact O-N 3.35Å; R864-T1128 PolarHBondContact NE-O 3Å; R864-T1128 PolarHBondContact NH1-O 2.86Å; R864-T1128 PolarHBondContact NH2-O 3Å
865	K	86.8	Confident	90.5	Very high	68 Å²	68	36.9 Å²	36.9	30%	0.296	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.3	133.9	173.7	-166	169.8	-163.4	160.7	0	115.5	V806 D808 D867	V806-K865 VanDerWaalsContact O-CE 3.27Å; V806-K865 WeakPolarHBondContact O-CE 3.39Å; D808-K865 HydrophobicContact CB-CB 3.92Å; D808-K865 HydrophobicContact CB-CD 3.74Å; D808-K865 HydrophobicContact CB-CG 4.49Å; D808-K865 WeakPolarHBondContact OD1-CD 3.25Å; D808-K865 IonicContact OD1-NZ 3.45Å; D808-K865 PolarHBondContact OD1-NZ 2.92Å; K865-D867 PolarHBondContact O-N 3.38Å
866	D	89.6	Confident	90.4	Very high	80 Å²	80	34 Å²	34	43%	0.428	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-3.1	179.6	-65.2	-49.6	0	0	0	117.1	R804 I805 K927	R804-D866 IonicContact CZ-OD1 3.9Å; R804-D866 IonicContact NH1-OD1 3.58Å; R804-D866 PolarHBondContact NH1-OD1 3.35Å; I805-D866 PolarHBondContact O-N 3.46Å; D866-K927 PolarHBondContact O-NZ 3.24Å
867	D	92.4	Very high	90.5	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.032	19%	0.191	C	C	.	.			trans	-67.3	144.9	160.2	-64.8	-37.4	0	0	0	109.7	I805 F863 R864 K865 K884 N885	I805-D867 PolarHBondContact N-O 3.14Å; I805-D867 VanDerWaalsContact N-O 3.15Å; F863-D867 HydrophobicContact CB-CB 4.32Å; R864-D867 WeakPolarHBondContact CG-OD2 3.44Å; R864-D867 PolarHBondContact N-OD2 2.9Å; R864-D867 IonicContact NE-OD1 3.32Å; R864-D867 IonicContact NE-OD2 2.64Å; R864-D867 PolarHBondContact NE-OD2 3.31Å; R864-D867 IonicContact NH2-OD1 2.83Å; R864-D867 VanDerWaalsContact O-CB 3.3Å; R864-D867 WeakPolarHBondContact O-CB 3.19Å; R864-D867 PolarHBondContact O-N 3.35Å; K865-D867 PolarHBondContact O-N 3.38Å; D867-K884 IonicContact OD1-NZ 2.78Å; D867-K884 WeakPolarHBondContact OD2-CE 3.4Å; D867-K884 IonicContact OD2-NZ 3.71Å; D867-K884 PolarHBondContact OD2-NZ 3.03Å; D867-N885 WeakPolarHBondContact CA-OD1 3.27Å; D867-N885 PolarHBondContact OD1-ND2 3.49Å
868	V	94.5	Very high	90.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.7	176.4	176.6	0	0	0	0	109.8	E802 V803 R804 K884 N885 K927 Y928	E802-V868 HydrophobicContact CB-CG1 3.88Å; E802-V868 HydrophobicContact CG-CG1 3.8Å; V803-V868 WeakPolarHBondContact O-CA 3.45Å; R804-V868 HydrophobicContact CB-CG2 3.9Å; R804-V868 HydrophobicContact CG-CG2 3.89Å; V868-K884 WeakPolarHBondContact O-CA 3.42Å; V868-N885 PolarHBondContact N-OD1 2.93Å; V868-N885 PolarHBondContact O-N 3.37Å; V868-K927 HydrophobicContact CG2-CD 3.9Å; V868-Y928 HydrophobicContact CB-CD2 3.92Å; V868-Y928 HydrophobicContact CB-CE2 3.95Å; V868-Y928 HydrophobicContact CG1-CD2 4.2Å; V868-Y928 HydrophobicContact CG2-CE2 4.29Å
869	I	95.7	Very high	90.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112	179.7	-54	-50.8	0	0	0	108.8	E802 V803 I814 Y834 F863 S883 K884	E802-I869 WeakPolarHBondContact CA-O 3.26Å; V803-I869 PolarHBondContact N-O 3.13Å; V803-I869 PolarHBondContact O-N 3.13Å; I814-I869 HydrophobicContact CD1-CB 4.34Å; I814-I869 HydrophobicContact CD1-CG1 4.13Å; Y834-I869 HydrophobicContact CD1-CG2 3.95Å; Y834-I869 HydrophobicContact CE1-CD1 4.29Å; Y834-I869 HydrophobicContact CE1-CG2 4.24Å; F863-I869 HydrophobicContact CB-CD1 3.81Å; F863-I869 HydrophobicContact CD1-CD1 3.53Å; F863-I869 HydrophobicContact CD1-CG1 3.85Å; F863-I869 HydrophobicContact CE1-CD1 4.28Å; F863-I869 HydrophobicContact CE1-CG1 4.17Å; F863-I869 HydrophobicContact CG-CD1 3.84Å; F863-I869 HydrophobicContact CG-CG1 4.16Å; I869-S883 VanDerWaalsContact CA-O 3.31Å; I869-S883 WeakPolarHBondContact CA-O 3.47Å; I869-K884 HydrophobicContact CD1-CB 4.09Å; I869-K884 HydrophobicContact CD1-CG 4Å
870	G	96.3	Very high	91.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.5	169.1	0	0	0	0	0	109.4	W882 S883	G870-W882 CarbonylContact O-C 3.55Å; G870-W882 VanDerWaalsContact O-CA 3.25Å; G870-W882 WeakPolarHBondContact O-CA 3.49Å; G870-S883 PolarHBondContact N-O 3.24Å; G870-S883 PolarHBondContact O-N 3.43Å
871	C	97	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.8	-175.3	-60	0	0	0	0	108.9	Y800 Y801 I814 W882	Y800-C871 WeakPolarHBondContact CA-O 3.15Å; Y801-C871 HydrophobicContact CD1-CB 3.64Å; Y801-C871 HydrophobicContact CD2-CB 4.33Å; Y801-C871 HydrophobicContact CE1-CB 3.28Å; Y801-C871 HydrophobicContact CE2-CB 4.04Å; Y801-C871 HydrophobicContact CG-CB 4.14Å; Y801-C871 VanDerWaalsContact CZ-CB 3.48Å; Y801-C871 PolarHBondContact N-O 2.82Å; Y801-C871 VanDerWaalsContact N-O 3.1Å; Y801-C871 PolarHBondContact O-N 3.34Å; I814-C871 VanDerWaalsContact CG2-SG 3.55Å; C871-W882 VanDerWaalsContact SG-CD1 3.57Å
872	F	96.1	Very high	91.9	Very high	11 Å²	11	26 Å²	26	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.5	-172.4	-58.6	-110.5	0	0	0	110.3	Y799 Y800 W816 Q881 L888 P930 W934	Y799-F872 WeakPolarHBondContact O-CA 3.43Å; Y800-F872 AromaticContact CD2-CD1 3.71Å; Y800-F872 HydrophobicContact CD2-CD1 3.71Å; Y800-F872 HydrophobicContact CD2-CD2 4.03Å; Y800-F872 AromaticContact CD2-CE1 3.61Å; Y800-F872 HydrophobicContact CD2-CE1 3.61Å; Y800-F872 AromaticContact CD2-CE2 3.93Å; Y800-F872 HydrophobicContact CD2-CE2 3.93Å; Y800-F872 AromaticContact CD2-CG 3.92Å; Y800-F872 HydrophobicContact CD2-CG 3.92Å; Y800-F872 AromaticContact CD2-CZ 3.72Å; Y800-F872 HydrophobicContact CD2-CZ 3.72Å; Y800-F872 HydrophobicContact CE2-CD1 4.31Å; Y800-F872 HydrophobicContact CE2-CD2 4.1Å; Y800-F872 AromaticContact CE2-CE1 3.84Å; Y800-F872 HydrophobicContact CE2-CE1 3.84Å; Y800-F872 AromaticContact CE2-CE2 3.59Å; Y800-F872 HydrophobicContact CE2-CE2 3.59Å; Y800-F872 HydrophobicContact CE2-CG 4.43Å; Y800-F872 AromaticContact CE2-CZ 3.45Å; Y800-F872 HydrophobicContact CE2-CZ 3.45Å; Y800-F872 VanDerWaalsContact CE2-CZ 3.45Å; W816-F872 PolarHBondContact NE1-O 3.13Å; F872-Q881 HydrophobicContact CB-CG 3.55Å; F872-Q881 WeakPolarHBondContact CB-O 3.3Å; F872-Q881 HydrophobicContact CD2-CG 4.31Å; F872-Q881 HydrophobicContact CG-CG 3.98Å; F872-Q881 PolarHBondContact N-O 2.83Å; F872-Q881 PolarHBondContact O-N 3.44Å; F872-L888 HydrophobicContact CD2-CD1 4.04Å; F872-L888 HydrophobicContact CE1-CD1 4.34Å; F872-L888 HydrophobicContact CE2-CD1 3.69Å; F872-L888 HydrophobicContact CZ-CD1 3.85Å; F872-P930 HydrophobicContact CE1-CB 4.03Å; F872-W934 HydrophobicContact CB-CE3 4.22Å; F872-W934 HydrophobicContact CB-CH2 3.99Å; F872-W934 HydrophobicContact CB-CZ3 3.72Å; F872-W934 AromaticContact CD1-CD2 3.7Å; F872-W934 HydrophobicContact CD1-CD2 3.7Å; F872-W934 AromaticContact CD1-CE2 3.74Å; F872-W934 AromaticContact CD1-CE3 3.77Å; F872-W934 HydrophobicContact CD1-CE3 3.77Å; F872-W934 HydrophobicContact CD1-CG 4.35Å; F872-W934 HydrophobicContact CD1-CH2 4.04Å; F872-W934 AromaticContact CD1-CZ2 3.93Å; F872-W934 HydrophobicContact CD1-CZ2 3.93Å; F872-W934 AromaticContact CD1-CZ3 3.96Å; F872-W934 HydrophobicContact CD1-CZ3 3.96Å; F872-W934 HydrophobicContact CE1-CD2 4.3Å; F872-W934 HydrophobicContact CG-CE3 4.48Å; F872-W934 HydrophobicContact CG-CZ3 4.36Å
873	L	95.1	Very high	92.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	112.7	175.2	168	64.2	0	0	0	110.1	I793 A798 Y799 W816 L875 I879 I880 I895 I906	I793-L873 HydrophobicContact CD1-CD2 3.41Å; I793-L873 VanDerWaalsContact CD1-CD2 3.41Å; A798-L873 CarbonylContact C-O 3.59Å; A798-L873 WeakPolarHBondContact CA-O 3.46Å; Y799-L873 PolarHBondContact N-O 2.69Å; Y799-L873 PolarHBondContact O-N 3.49Å; W816-L873 HydrophobicContact CD2-CB 4.09Å; W816-L873 HydrophobicContact CD2-CD2 3.81Å; W816-L873 VanDerWaalsContact CE2-CB 3.48Å; W816-L873 HydrophobicContact CE3-CD2 3.66Å; W816-L873 HydrophobicContact CG-CD2 4.44Å; W816-L873 HydrophobicContact CH2-CB 3.86Å; W816-L873 HydrophobicContact CH2-CD2 4.02Å; W816-L873 HydrophobicContact CZ2-CB 3.36Å; W816-L873 HydrophobicContact CZ2-CD2 4.18Å; W816-L873 HydrophobicContact CZ2-CG 4.44Å; W816-L873 HydrophobicContact CZ3-CB 4.43Å; W816-L873 HydrophobicContact CZ3-CD2 3.77Å; L873-L875 HydrophobicContact CD1-CD2 3.85Å; L873-L875 HydrophobicContact CD1-CG 4.4Å; L873-L875 HydrophobicContact CD2-CD2 4.08Å; L873-L875 HydrophobicContact CD2-CG 4.35Å; L873-L875 HydrophobicContact CG-CD2 4.04Å; L873-L875 HydrophobicContact CG-CG 4.15Å; L873-I879 WeakPolarHBondContact CA-O 3.47Å; L873-I880 HydrophobicContact CD1-CD1 4.46Å; L873-I880 HydrophobicContact CD1-CG1 3.72Å; L873-I895 HydrophobicContact CD1-CD1 3.74Å; L873-I906 HydrophobicContact CD2-CG2 3.47Å; L873-I906 VanDerWaalsContact CD2-CG2 3.47Å
874	D	92.8	Very high	92.6	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.8	171.8	175.5	-12.3	0	0	0	108.4	A798 G876 N877 G878 I879 W934	A798-D874 HydrophobicContact CB-CB 4.4Å; D874-G876 WeakPolarHBondContact OD1-CA 3.37Å; D874-G876 PolarHBondContact OD1-N 3.39Å; D874-N877 PolarHBondContact OD1-N 3.18Å; D874-N877 WeakPolarHBondContact OD2-CB 3.42Å; D874-N877 PolarHBondContact OD2-ND2 3.05Å; D874-G878 CarbonylContact O-C 3.5Å; D874-G878 VanDerWaalsContact O-C 3.26Å; D874-G878 WeakPolarHBondContact O-CA 3.34Å; D874-G878 PolarHBondContact O-N 3.48Å; D874-I879 HydrophobicContact CB-CB 4.3Å; D874-I879 PolarHBondContact N-O 2.73Å; D874-I879 PolarHBondContact O-N 2.79Å; D874-W934 HydrophobicContact CB-CH2 4.01Å; D874-W934 HydrophobicContact CB-CZ3 4.2Å
875	L	90.7	Very high	92.9	Very high	14 Å²	14	23.2 Å²	23.2	7%	0.073	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.9	178.7	-68.4	176.6	0	0	0	113.1	I793 F794 G795 R797 Y799 L873 L900 I906	I793-L875 HydrophobicContact CD1-CD1 4.35Å; F794-L875 VanDerWaalsContact C-CD1 3.43Å; G795-L875 VanDerWaalsContact O-CB 3.29Å; G795-L875 WeakPolarHBondContact O-CB 3.2Å; R797-L875 PolarHBondContact O-N 3.4Å; Y799-L875 HydrophobicContact CD2-CD1 4.32Å; Y799-L875 HydrophobicContact CE2-CD1 4.06Å; L873-L875 HydrophobicContact CD1-CD2 3.85Å; L873-L875 HydrophobicContact CD1-CG 4.4Å; L873-L875 HydrophobicContact CD2-CD2 4.08Å; L873-L875 HydrophobicContact CD2-CG 4.35Å; L873-L875 HydrophobicContact CG-CD2 4.04Å; L873-L875 HydrophobicContact CG-CG 4.15Å; L875-L900 HydrophobicContact CD2-CD2 4.06Å; L875-I906 HydrophobicContact CD2-CG2 4.22Å
876	G	86.6	Confident	93	Very high	46 Å²	46	23.3 Å²	23.3	47%	0.474	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-43.5	179.8	0	0	0	0	0	112.5	D796 D874	D796-G876 VanDerWaalsContact O-CA 3.26Å; D796-G876 WeakPolarHBondContact O-CA 3.22Å; D796-G876 PolarHBondContact O-N 2.79Å; D874-G876 WeakPolarHBondContact OD1-CA 3.37Å; D874-G876 PolarHBondContact OD1-N 3.39Å
877	N	87.3	Confident	93.1	Very high	104 Å²	104	26.3 Å²	26.3	56%	0.556	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-15.4	171.8	-64.9	-66.8	0	0	0	113.3	D874 I879	D874-N877 PolarHBondContact OD1-N 3.18Å; D874-N877 WeakPolarHBondContact OD2-CB 3.42Å; D874-N877 PolarHBondContact OD2-ND2 3.05Å; N877-I879 HydrophobicContact CB-CD1 3.83Å; N877-I879 HydrophobicContact CB-CG1 4.01Å
878	G	89.8	Confident	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	21.2	-177.7	0	0	0	0	0	114.6	D874 E894 I895	D874-G878 CarbonylContact O-C 3.5Å; D874-G878 VanDerWaalsContact O-C 3.26Å; D874-G878 WeakPolarHBondContact O-CA 3.34Å; D874-G878 PolarHBondContact O-N 3.48Å; G878-E894 CarbonylContact O-C 3.57Å; G878-E894 WeakPolarHBondContact O-CA 3.5Å; G878-I895 WeakPolarHBondContact O-CG1 3.35Å; G878-I895 PolarHBondContact O-N 2.87Å
879	I	93.3	Very high	92.9	Very high	45 Å²	45	31.9 Å²	31.9	23%	0.231	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	-170.1	-64.3	171.6	0	0	0	111.1	L873 D874 N877 P891 Y893	L873-I879 WeakPolarHBondContact CA-O 3.47Å; D874-I879 HydrophobicContact CB-CB 4.3Å; D874-I879 PolarHBondContact N-O 2.73Å; D874-I879 PolarHBondContact O-N 2.79Å; N877-I879 HydrophobicContact CB-CD1 3.83Å; N877-I879 HydrophobicContact CB-CG1 4.01Å; I879-P891 HydrophobicContact CG2-CB 3.86Å; I879-P891 HydrophobicContact CG2-CG 3.99Å; I879-Y893 WeakPolarHBondContact CA-O 3.42Å
880	I	95.3	Very high	92.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.2	164.7	-62.7	168.9	0	0	0	108.8	F832 L873 W882 A892 Y893 I895	F832-I880 HydrophobicContact CB-CD1 3.68Å; F832-I880 HydrophobicContact CD1-CD1 3.8Å; F832-I880 HydrophobicContact CD2-CD1 3.56Å; F832-I880 HydrophobicContact CE1-CD1 4.28Å; F832-I880 HydrophobicContact CE2-CD1 4.08Å; F832-I880 HydrophobicContact CG-CD1 3.4Å; F832-I880 VanDerWaalsContact CG-CD1 3.4Å; F832-I880 HydrophobicContact CZ-CD1 4.41Å; L873-I880 HydrophobicContact CD1-CD1 4.46Å; L873-I880 HydrophobicContact CD1-CG1 3.72Å; I880-W882 HydrophobicContact CG2-CE3 4.2Å; I880-W882 HydrophobicContact CG2-CH2 3.44Å; I880-W882 VanDerWaalsContact CG2-CH2 3.44Å; I880-W882 HydrophobicContact CG2-CZ2 3.73Å; I880-W882 HydrophobicContact CG2-CZ3 3.69Å; I880-A892 WeakPolarHBondContact O-CB 3.47Å; I880-A892 PolarHBondContact O-N 3.08Å; I880-Y893 PolarHBondContact N-O 3.01Å; I880-Y893 PolarHBondContact O-N 3.37Å; I880-I895 HydrophobicContact CD1-CD1 3.99Å; I880-I895 HydrophobicContact CD1-CG1 4.01Å; I880-I895 HydrophobicContact CG1-CD1 4.12Å; I880-I895 HydrophobicContact CG1-CG1 4.33Å
881	Q	95.3	Very high	92.4	Very high	19 Å²	19	37 Å²	37	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.7	173.9	62	-174.9	-3.2	0	0	112.2	F872 L888 G890	F872-Q881 HydrophobicContact CB-CG 3.55Å; F872-Q881 WeakPolarHBondContact CB-O 3.3Å; F872-Q881 HydrophobicContact CD2-CG 4.31Å; F872-Q881 HydrophobicContact CG-CG 3.98Å; F872-Q881 PolarHBondContact N-O 2.83Å; F872-Q881 PolarHBondContact O-N 3.44Å; Q881-L888 HydrophobicContact CG-CD1 4.12Å; Q881-G890 VanDerWaalsContact CB-O 3.24Å; Q881-G890 WeakPolarHBondContact CB-O 3.16Å; Q881-G890 VanDerWaalsContact OE1-C 3.29Å
882	W	96.1	Very high	92.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.5	178.8	-67.4	-89.8	0	0	0	112.2	I814 F832 Y834 Y859 G870 C871 I880 F889 A892 Y893	I814-W882 PolarHBondContact O-NE1 3.01Å; F832-W882 HydrophobicContact CB-CH2 4.42Å; Y834-W882 VanDerWaalsContact CB-CD2 3.41Å; Y834-W882 VanDerWaalsContact CB-CE2 3.42Å; Y834-W882 HydrophobicContact CD1-CB 3.98Å; Y834-W882 HydrophobicContact CD1-CD2 4.4Å; Y834-W882 AromaticContact CD1-CG 3.91Å; Y834-W882 HydrophobicContact CD1-CG 3.91Å; Y834-W882 HydrophobicContact CE1-CB 4.44Å; Y834-W882 HydrophobicContact CG-CB 4.22Å; Y834-W882 AromaticContact CG-CD2 3.93Å; Y834-W882 HydrophobicContact CG-CD2 3.93Å; Y834-W882 HydrophobicContact CG-CE3 4.23Å; Y834-W882 AromaticContact CG-CG 3.92Å; Y834-W882 HydrophobicContact CG-CG 3.92Å; Y859-W882 HydrophobicContact CE1-CB 4.26Å; Y859-W882 AromaticContact CE1-CE3 3.72Å; Y859-W882 HydrophobicContact CE1-CE3 3.72Å; Y859-W882 PolarHBondContact OH-N 2.81Å; G870-W882 CarbonylContact O-C 3.55Å; G870-W882 VanDerWaalsContact O-CA 3.25Å; G870-W882 WeakPolarHBondContact O-CA 3.49Å; C871-W882 VanDerWaalsContact SG-CD1 3.57Å; I880-W882 HydrophobicContact CG2-CE3 4.2Å; I880-W882 HydrophobicContact CG2-CH2 3.44Å; I880-W882 VanDerWaalsContact CG2-CH2 3.44Å; I880-W882 HydrophobicContact CG2-CZ2 3.73Å; I880-W882 HydrophobicContact CG2-CZ3 3.69Å; W882-F889 HydrophobicContact CB-CD2 4.29Å; W882-F889 VanDerWaalsContact O-CD2 3.24Å; W882-F889 WeakPolarHBondContact O-CD2 3.41Å; W882-F889 PolarHBondContact O-N 2.92Å; W882-A892 HydrophobicContact CE3-CB 3.74Å; W882-A892 HydrophobicContact CZ3-CB 3.45Å; W882-A892 VanDerWaalsContact CZ3-CB 3.45Å; W882-Y893 HydrophobicContact CH2-CD2 4.11Å; W882-Y893 HydrophobicContact CH2-CE2 4.01Å; W882-Y893 HydrophobicContact CZ3-CD2 4.01Å; W882-Y893 AromaticContact CZ3-CE2 3.98Å; W882-Y893 HydrophobicContact CZ3-CE2 3.98Å
883	S	94.6	Very high	92	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.4	166.7	75.8	0	0	0	0	111	I869 G870 R887	I869-S883 VanDerWaalsContact CA-O 3.31Å; I869-S883 WeakPolarHBondContact CA-O 3.47Å; G870-S883 PolarHBondContact N-O 3.24Å; G870-S883 PolarHBondContact O-N 3.43Å; S883-R887 CarbonylContact C-O 3.43Å; S883-R887 WeakPolarHBondContact CA-O 3.46Å; S883-R887 WeakPolarHBondContact CB-O 3.27Å
884	K	93.3	Very high	91.7	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121	168.5	-179.7	-171	179.3	-176.1	0	109.3	E861 A862 F863 D867 V868 I869 N886 R887 F889	E861-K884 HydrophobicContact CB-CD 4.33Å; A862-K884 PolarHBondContact O-NZ 3.35Å; F863-K884 HydrophobicContact CB-CD 4.48Å; D867-K884 IonicContact OD1-NZ 2.78Å; D867-K884 WeakPolarHBondContact OD2-CE 3.4Å; D867-K884 IonicContact OD2-NZ 3.71Å; D867-K884 PolarHBondContact OD2-NZ 3.03Å; V868-K884 WeakPolarHBondContact O-CA 3.42Å; I869-K884 HydrophobicContact CD1-CB 4.09Å; I869-K884 HydrophobicContact CD1-CG 4Å; K884-N886 PolarHBondContact O-N 3.4Å; K884-R887 PolarHBondContact N-O 3.43Å; K884-R887 VanDerWaalsContact O-CB 3.32Å; K884-R887 WeakPolarHBondContact O-CB 3.24Å; K884-R887 PolarHBondContact O-N 3.22Å; K884-F889 HydrophobicContact CB-CE1 4.32Å; K884-F889 HydrophobicContact CB-CE2 4.02Å; K884-F889 HydrophobicContact CB-CZ 3.44Å; K884-F889 VanDerWaalsContact CB-CZ 3.44Å
885	N	92.6	Very high	91.4	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.273	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	52.9	179.1	-57	-33.1	0	0	0	113.4	D867 V868 R887 Y928	D867-N885 WeakPolarHBondContact CA-OD1 3.27Å; D867-N885 PolarHBondContact OD1-ND2 3.49Å; V868-N885 PolarHBondContact N-OD1 2.93Å; V868-N885 PolarHBondContact O-N 3.37Å; N885-R887 PolarHBondContact O-N 2.8Å; N885-Y928 VanDerWaalsContact CA-CE2 3.48Å; N885-Y928 HydrophobicContact CB-CE2 3.94Å
886	N	88.6	Confident	91	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	2.4	-169.7	-152.1	33.3	0	0	0	117.6	K884 L888 Y928	K884-N886 PolarHBondContact O-N 3.4Å; N886-L888 PolarHBondContact O-N 2.9Å; N886-Y928 HydrophobicContact CB-CD1 3.73Å; N886-Y928 HydrophobicContact CB-CG 4.02Å
887	R	91.8	Very high	90.5	Very high	142 Å²	142	49.8 Å²	49.8	54%	0.536	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	99.9	172.7	-176	170.1	166.5	-156.4	-16.9	110.6	E861 S883 K884 N885	E861-R887 VanDerWaalsContact CD-NH2 3.34Å; E861-R887 IonicContact OE1-CZ 3.34Å; E861-R887 IonicContact OE1-NH1 2.7Å; E861-R887 PolarHBondContact OE1-NH1 3.42Å; E861-R887 IonicContact OE1-NH2 3.87Å; E861-R887 PolarHBondContact OE1-NH2 3.27Å; E861-R887 IonicContact OE2-CZ 2.87Å; E861-R887 VanDerWaalsContact OE2-CZ 3.28Å; E861-R887 IonicContact OE2-NE 3.26Å; E861-R887 IonicContact OE2-NH1 2.67Å; E861-R887 PolarHBondContact OE2-NH1 3.09Å; E861-R887 IonicContact OE2-NH2 2.92Å; S883-R887 CarbonylContact C-O 3.43Å; S883-R887 WeakPolarHBondContact CA-O 3.46Å; S883-R887 WeakPolarHBondContact CB-O 3.27Å; K884-R887 PolarHBondContact N-O 3.43Å; K884-R887 VanDerWaalsContact O-CB 3.32Å; K884-R887 WeakPolarHBondContact O-CB 3.24Å; K884-R887 PolarHBondContact O-N 3.22Å; N885-R887 PolarHBondContact O-N 2.8Å
888	L	91	Very high	90.1	Very high	82 Å²	82	52.5 Å²	52.5	43%	0.429	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.7	174	-170.7	67.3	0	0	0	111.2	F872 Q881 N886	F872-L888 HydrophobicContact CD2-CD1 4.04Å; F872-L888 HydrophobicContact CE1-CD1 4.34Å; F872-L888 HydrophobicContact CE2-CD1 3.69Å; F872-L888 HydrophobicContact CZ-CD1 3.85Å; Q881-L888 HydrophobicContact CG-CD1 4.12Å; N886-L888 PolarHBondContact O-N 2.9Å
889	F	90.6	Very high	89.5	Confident	45 Å²	45	54 Å²	54	20%	0.197	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-11.7	178.1	-54.3	-49.6	0	0	0	114.1	Y834 Y859 G860 E861 W882 K884	Y834-F889 AromaticContact CE1-CE2 3.95Å; Y834-F889 HydrophobicContact CE1-CE2 3.95Å; Y834-F889 HydrophobicContact CE2-CE2 4.39Å; Y834-F889 AromaticContact CZ-CE2 3.61Å; Y834-F889 VanDerWaalsContact OH-CE2 3.22Å; Y834-F889 WeakPolarHBondContact OH-CE2 3.5Å; Y859-F889 HydrophobicContact CE1-CB 4.07Å; Y859-F889 AromaticContact CE1-CD2 3.94Å; Y859-F889 HydrophobicContact CE1-CD2 3.94Å; Y859-F889 HydrophobicContact CE1-CG 4.45Å; Y859-F889 HydrophobicContact CE2-CB 3.99Å; G860-F889 VanDerWaalsContact CA-CG 3.48Å; E861-F889 HydrophobicContact CB-CE1 4.03Å; E861-F889 HydrophobicContact CB-CZ 4Å; E861-F889 HydrophobicContact CG-CE1 3.94Å; E861-F889 HydrophobicContact CG-CZ 4.43Å; E861-F889 VanDerWaalsContact N-CZ 3.26Å; W882-F889 HydrophobicContact CB-CD2 4.29Å; W882-F889 VanDerWaalsContact O-CD2 3.24Å; W882-F889 WeakPolarHBondContact O-CD2 3.41Å; W882-F889 PolarHBondContact O-N 2.92Å; K884-F889 HydrophobicContact CB-CE1 4.32Å; K884-F889 HydrophobicContact CB-CE2 4.02Å; K884-F889 HydrophobicContact CB-CZ 3.44Å; K884-F889 VanDerWaalsContact CB-CZ 3.44Å
890	G	89.9	Confident	88.6	Confident	19 Å²	19	53.7 Å²	53.7	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.5	180	-175	0	0	0	0	0	113.6	Y859 Q881 A892	Y859-G890 VanDerWaalsContact CE2-O 3.3Å; Y859-G890 WeakPolarHBondContact CE2-O 3.37Å; Y859-G890 PolarHBondContact OH-O 3.05Å; Q881-G890 VanDerWaalsContact CB-O 3.24Å; Q881-G890 WeakPolarHBondContact CB-O 3.16Å; Q881-G890 VanDerWaalsContact OE1-C 3.29Å; G890-A892 PolarHBondContact O-N 3.17Å
891	P	92.5	Very high	87.5	Confident	90 Å²	90	61.9 Å²	61.9	58%	0.584	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	127.8	-175.8	-30.5	37.3	0	0	0	114.3	I879	I879-P891 HydrophobicContact CG2-CB 3.86Å; I879-P891 HydrophobicContact CG2-CG 3.99Å
892	A	91.9	Very high	86.5	Confident	7 Å²	7	64.2 Å²	64.2	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-40.8	176.4	0	0	0	0	0	112.5	K850 Y859 I880 W882 G890	K850-A892 HydrophobicContact CD-CB 4.01Å; K850-A892 PolarHBondContact NZ-O 3.04Å; Y859-A892 HydrophobicContact CD1-CB 4.46Å; Y859-A892 HydrophobicContact CD2-CB 4.1Å; Y859-A892 HydrophobicContact CE1-CB 4.02Å; Y859-A892 HydrophobicContact CE2-CB 3.61Å; Y859-A892 HydrophobicContact CG-CB 4.5Å; I880-A892 WeakPolarHBondContact O-CB 3.47Å; I880-A892 PolarHBondContact O-N 3.08Å; W882-A892 HydrophobicContact CE3-CB 3.74Å; W882-A892 HydrophobicContact CZ3-CB 3.45Å; W882-A892 VanDerWaalsContact CZ3-CB 3.45Å; G890-A892 PolarHBondContact O-N 3.17Å
893	Y	91.9	Very high	85.7	Confident	31 Å²	31	68.7 Å²	68.7	12%	0.122	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149	-177.1	-62	-70.3	0	0	0	111.2	F832 K850 L851 H852 I879 I880 W882	F832-Y893 HydrophobicContact CB-CD2 4.13Å; F832-Y893 HydrophobicContact CB-CE2 4.29Å; F832-Y893 HydrophobicContact CD1-CD1 4.29Å; F832-Y893 AromaticContact CD1-CD2 3.82Å; F832-Y893 HydrophobicContact CD1-CD2 3.82Å; F832-Y893 HydrophobicContact CD1-CE2 4.34Å; F832-Y893 AromaticContact CD1-CG 3.79Å; F832-Y893 HydrophobicContact CD1-CG 3.79Å; F832-Y893 HydrophobicContact CE1-CG 4.39Å; F832-Y893 HydrophobicContact CG-CD2 4.44Å; K850-Y893 HydrophobicContact CB-CE2 3.92Å; K850-Y893 WeakPolarHBondContact CB-OH 3.38Å; K850-Y893 HydrophobicContact CD-CE1 4.09Å; K850-Y893 HydrophobicContact CD-CE2 4.08Å; K850-Y893 HydrophobicContact CG-CE2 4.33Å; K850-Y893 WeakPolarHBondContact CG-OH 3.41Å; L851-Y893 WeakPolarHBondContact CA-OH 3.3Å; L851-Y893 PolarHBondContact N-OH 2.77Å; L851-Y893 PolarHBondContact O-OH 3.49Å; H852-Y893 HydrophobicContact CB-CD1 4.29Å; H852-Y893 HydrophobicContact CB-CE1 3.52Å; H852-Y893 HydrophobicContact CB-CE2 4.37Å; H852-Y893 PolarHBondContact N-OH 3.39Å; I879-Y893 WeakPolarHBondContact CA-O 3.42Å; I880-Y893 PolarHBondContact N-O 3.01Å; I880-Y893 PolarHBondContact O-N 3.37Å; W882-Y893 HydrophobicContact CH2-CD2 4.11Å; W882-Y893 HydrophobicContact CH2-CE2 4.01Å; W882-Y893 HydrophobicContact CZ3-CD2 4.01Å; W882-Y893 AromaticContact CZ3-CE2 3.98Å; W882-Y893 HydrophobicContact CZ3-CE2 3.98Å
894	E	89.9	Confident	85.4	Confident	125 Å²	125	70.8 Å²	70.8	58%	0.584	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.4	163.1	-171.5	-175.1	153	0	0	107.3	G878 K897	G878-E894 CarbonylContact O-C 3.57Å; G878-E894 WeakPolarHBondContact O-CA 3.5Å; E894-K897 WeakPolarHBondContact OE1-CE 3.26Å; E894-K897 IonicContact OE1-NZ 2.58Å; E894-K897 PolarHBondContact OE1-NZ 2.79Å
895	I	86.4	Confident	85.3	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	35%	0.353	C	S	.	.			trans	-70.2	138.4	-179.6	-59.5	167.9	0	0	0	109.1	F818 F832 L873 G878 I880 K897 L899 L900	F818-I895 HydrophobicContact CZ-CG2 4.3Å; F832-I895 HydrophobicContact CZ-CG1 4.14Å; L873-I895 HydrophobicContact CD1-CD1 3.74Å; G878-I895 WeakPolarHBondContact O-CG1 3.35Å; G878-I895 PolarHBondContact O-N 2.87Å; I880-I895 HydrophobicContact CD1-CD1 3.99Å; I880-I895 HydrophobicContact CD1-CG1 4.01Å; I880-I895 HydrophobicContact CG1-CD1 4.12Å; I880-I895 HydrophobicContact CG1-CG1 4.33Å; I895-K897 PolarHBondContact O-N 2.68Å; I895-K897 VanDerWaalsContact O-N 3.16Å; I895-L899 HydrophobicContact CG2-CB 4Å; I895-L899 HydrophobicContact CG2-CD1 4.46Å; I895-L900 HydrophobicContact CB-CD1 4.3Å; I895-L900 HydrophobicContact CB-CD2 4.03Å; I895-L900 HydrophobicContact CB-CG 4.08Å; I895-L900 HydrophobicContact CD1-CD2 4.09Å; I895-L900 HydrophobicContact CG2-CD2 3.9Å; I895-L900 HydrophobicContact CG2-CG 3.86Å
896	D	81.6	Confident	85.4	Confident	82 Å²	82	68.5 Å²	68.5	44%	0.439	34%	0.34	S	S	.	.			trans	-54.1	125.4	176.4	-176	-12.9	0	0	0	109.9	K898 L899 L900	D896-K898 PolarHBondContact O-N 3.34Å; D896-K898 WeakPolarHBondContact OD1-CB 3.07Å; D896-K898 WeakPolarHBondContact OD1-CG 3.23Å; D896-K898 PolarHBondContact OD1-N 3.43Å; D896-L899 HydrophobicContact CB-CD1 4.31Å; D896-L899 WeakPolarHBondContact O-CA 3.39Å; D896-L899 WeakPolarHBondContact O-CB 3.27Å; D896-L899 PolarHBondContact O-N 3.32Å; D896-L900 PolarHBondContact O-N 3.31Å; D896-L900 VanDerWaalsContact O-N 3.12Å
897	K	77.6	Confident	85.8	Confident	117 Å²	117	65.2 Å²	65.2	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-5.4	177.4	-72.5	161.1	175.3	156.9	0	113.6	E894 I895 L900 K901	E894-K897 WeakPolarHBondContact OE1-CE 3.26Å; E894-K897 IonicContact OE1-NZ 2.58Å; E894-K897 PolarHBondContact OE1-NZ 2.79Å; I895-K897 PolarHBondContact O-N 2.68Å; I895-K897 VanDerWaalsContact O-N 3.16Å; K897-L900 HydrophobicContact CG-CD1 4.33Å; K897-K901 WeakPolarHBondContact O-CB 3.17Å; K897-K901 VanDerWaalsContact O-CD 3.23Å; K897-K901 WeakPolarHBondContact O-CD 3.39Å; K897-K901 WeakPolarHBondContact O-CG 3.44Å
898	K	77.9	Confident	86	Confident	161 Å²	161	58.4 Å²	58.4	70%	0.7	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-38.7	164.1	-63.7	172	-169.4	156.8	0	113.6	D896 K901 S902	D896-K898 PolarHBondContact O-N 3.34Å; D896-K898 WeakPolarHBondContact OD1-CB 3.07Å; D896-K898 WeakPolarHBondContact OD1-CG 3.23Å; D896-K898 PolarHBondContact OD1-N 3.43Å; K898-K901 PolarHBondContact O-N 2.67Å; K898-S902 PolarHBondContact O-N 2.93Å
899	L	76.2	Confident	86.3	Confident	30 Å²	30	54.7 Å²	54.7	16%	0.157	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-43.9	175.6	-72.9	166.6	0	0	0	110.5	F818 F830 I895 D896 K901 S902	F818-L899 HydrophobicContact CE2-CD1 4.05Å; F818-L899 HydrophobicContact CZ-CB 4.15Å; F818-L899 HydrophobicContact CZ-CD1 4.49Å; F830-L899 HydrophobicContact CE1-CD2 4.48Å; I895-L899 HydrophobicContact CG2-CB 4Å; I895-L899 HydrophobicContact CG2-CD1 4.46Å; D896-L899 HydrophobicContact CB-CD1 4.31Å; D896-L899 WeakPolarHBondContact O-CA 3.39Å; D896-L899 WeakPolarHBondContact O-CB 3.27Å; D896-L899 PolarHBondContact O-N 3.32Å; L899-K901 PolarHBondContact O-N 3.32Å; L899-K901 VanDerWaalsContact O-N 3.15Å; L899-S902 PolarHBondContact O-N 3.03Å; L899-S902 PolarHBondContact O-OG 2.84Å
900	L	75.3	Confident	86.6	Confident	39 Å²	39	52.5 Å²	52.5	20%	0.204	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.4	-32.5	173.5	-63.1	170.8	0	0	0	112.2	L875 I895 D896 K897	L875-L900 HydrophobicContact CD2-CD2 4.06Å; I895-L900 HydrophobicContact CB-CD1 4.3Å; I895-L900 HydrophobicContact CB-CD2 4.03Å; I895-L900 HydrophobicContact CB-CG 4.08Å; I895-L900 HydrophobicContact CD1-CD2 4.09Å; I895-L900 HydrophobicContact CG2-CD2 3.9Å; I895-L900 HydrophobicContact CG2-CG 3.86Å; D896-L900 PolarHBondContact O-N 3.31Å; D896-L900 VanDerWaalsContact O-N 3.12Å; K897-L900 HydrophobicContact CG-CD1 4.33Å
901	K	73.1	Confident	86.8	Confident	173 Å²	173	51.6 Å²	51.6	75%	0.752	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-82.1	-6.1	177.8	-75.8	179	-174.6	-179.4	0	115.2	K897 K898 L899	K897-K901 WeakPolarHBondContact O-CB 3.17Å; K897-K901 VanDerWaalsContact O-CD 3.23Å; K897-K901 WeakPolarHBondContact O-CD 3.39Å; K897-K901 WeakPolarHBondContact O-CG 3.44Å; K898-K901 PolarHBondContact O-N 2.67Å; L899-K901 PolarHBondContact O-N 3.32Å; L899-K901 VanDerWaalsContact O-N 3.15Å
902	S	74.1	Confident	86.8	Confident	67 Å²	67	47.3 Å²	47.3	47%	0.469	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-84.9	-14.7	174.9	67.4	0	0	0	0	113	K898 L899 E904	K898-S902 PolarHBondContact O-N 2.93Å; L899-S902 PolarHBondContact O-N 3.03Å; L899-S902 PolarHBondContact O-OG 2.84Å; S902-E904 PolarHBondContact O-N 2.71Å; S902-E904 VanDerWaalsContact OG-CB 3.27Å; S902-E904 WeakPolarHBondContact OG-CB 3.47Å; S902-E904 PolarHBondContact OG-N 2.7Å
903	N	79.3	Confident	86.6	Confident	95 Å²	95	48 Å²	48	51%	0.508	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.9	-164.4	-71.1	18.8	0	0	0	113	F794	F794-N903 HydrophobicContact CD2-CB 4.28Å
904	E	86.9	Confident	86.3	Confident	45 Å²	45	48.3 Å²	48.3	21%	0.21	24%	0.238	C	C	.	.			trans	-66	125.5	171.5	-171.7	175	172.7	0	0	108.9	F818 N820 S902 I906	F818-E904 HydrophobicContact CD1-CB 4.11Å; F818-E904 HydrophobicContact CD1-CG 3.89Å; F818-E904 HydrophobicContact CE1-CB 4.33Å; F818-E904 WeakPolarHBondContact CE1-O 3.34Å; N820-E904 PolarHBondContact ND2-OE1 3.5Å; S902-E904 PolarHBondContact O-N 2.71Å; S902-E904 VanDerWaalsContact OG-CB 3.27Å; S902-E904 WeakPolarHBondContact OG-CB 3.47Å; S902-E904 PolarHBondContact OG-N 2.7Å; E904-I906 PolarHBondContact O-N 3.37Å
905	P	92.2	Very high	86.3	Confident	15 Å²	15	42.6 Å²	42.6	10%	0.097	21%	0.212	C	C	.	.			trans	-68.3	134	-176.3	26.4	-33.6	0	0	0	110.9	I793 Y907 F946	I793-P905 WeakPolarHBondContact O-CA 3.46Å; P905-Y907 HydrophobicContact CB-CE2 4.03Å; P905-Y907 HydrophobicContact CG-CE2 3.9Å; P905-Y907 WeakPolarHBondContact O-CD2 3.37Å; P905-Y907 VanDerWaalsContact O-CE2 3.29Å; P905-Y907 WeakPolarHBondContact O-CE2 3.49Å; P905-F946 HydrophobicContact CB-CB 3.77Å; P905-F946 HydrophobicContact CB-CD1 4.19Å; P905-F946 HydrophobicContact CB-CG 4.16Å; P905-F946 HydrophobicContact CG-CB 4.12Å; P905-F946 HydrophobicContact CG-CD1 3.63Å; P905-F946 HydrophobicContact CG-CE1 4.17Å; P905-F946 HydrophobicContact CG-CG 3.93Å
906	I	94.1	Very high	86.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.4	174.2	-164.6	175.8	0	0	0	109.4	G792 I793 W816 F818 F832 L873 L875 E904	G792-I906 CarbonylContact C-O 3.56Å; G792-I906 VanDerWaalsContact CA-O 3.28Å; G792-I906 WeakPolarHBondContact CA-O 3.3Å; I793-I906 HydrophobicContact CD1-CG2 3.57Å; I793-I906 WeakPolarHBondContact CD1-O 3.48Å; I793-I906 PolarHBondContact N-O 3.39Å; I793-I906 PolarHBondContact O-N 3.15Å; W816-I906 HydrophobicContact CB-CD1 3.63Å; W816-I906 HydrophobicContact CB-CG1 3.95Å; F818-I906 HydrophobicContact CD1-CB 3.87Å; F818-I906 HydrophobicContact CD1-CG1 4.2Å; F818-I906 HydrophobicContact CD2-CD1 4.47Å; F818-I906 HydrophobicContact CE1-CB 3.77Å; F818-I906 HydrophobicContact CE1-CD1 4.36Å; F818-I906 HydrophobicContact CE1-CG1 4.23Å; F818-I906 HydrophobicContact CE2-CD1 4.13Å; F818-I906 HydrophobicContact CG-CG1 4.36Å; F818-I906 HydrophobicContact CZ-CB 4.33Å; F818-I906 HydrophobicContact CZ-CD1 4.06Å; F818-I906 HydrophobicContact CZ-CG1 4.42Å; F832-I906 HydrophobicContact CD2-CD1 4.23Å; F832-I906 HydrophobicContact CE2-CD1 4.22Å; L873-I906 HydrophobicContact CD2-CG2 3.47Å; L873-I906 VanDerWaalsContact CD2-CG2 3.47Å; L875-I906 HydrophobicContact CD2-CG2 4.22Å; E904-I906 PolarHBondContact O-N 3.37Å
907	Y	96.4	Very high	87.2	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.2	-170.2	-60.7	-105	0	0	0	109.7	V789 K791 W816 S817 E819 P905 A909 F946	V789-Y907 WeakPolarHBondContact O-CD1 3.35Å; K791-Y907 VanDerWaalsContact C-CD1 3.43Å; K791-Y907 WeakPolarHBondContact O-CD1 3.28Å; W816-Y907 CarbonylContact C-O 3.53Å; W816-Y907 WeakPolarHBondContact CA-O 3.32Å; S817-Y907 PolarHBondContact N-O 3.18Å; S817-Y907 WeakPolarHBondContact O-CB 3.33Å; S817-Y907 PolarHBondContact O-N 3.13Å; E819-Y907 HydrophobicContact CB-CE2 3.79Å; E819-Y907 HydrophobicContact CG-CE2 4.45Å; E819-Y907 PolarHBondContact OE2-OH 3.09Å; E819-Y907 VanDerWaalsContact OE2-OH 3.05Å; P905-Y907 HydrophobicContact CB-CE2 4.03Å; P905-Y907 HydrophobicContact CG-CE2 3.9Å; P905-Y907 WeakPolarHBondContact O-CD2 3.37Å; P905-Y907 VanDerWaalsContact O-CE2 3.29Å; P905-Y907 WeakPolarHBondContact O-CE2 3.49Å; Y907-A909 PolarHBondContact O-N 3Å; Y907-F946 WeakPolarHBondContact OH-CD1 3.37Å
908	P	97	Very high	88	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	135.1	161.4	-19.7	31.2	0	0	0	109.9	W754 V789 Y801 W816 Y921 L937	W754-P908 HydrophobicContact CE3-CG 4.35Å; W754-P908 HydrophobicContact CZ3-CG 4.14Å; V789-P908 HydrophobicContact CB-CB 4.15Å; V789-P908 HydrophobicContact CB-CG 4.31Å; V789-P908 HydrophobicContact CG2-CB 3.84Å; V789-P908 HydrophobicContact CG2-CG 4.44Å; V789-P908 WeakPolarHBondContact CG2-O 3.4Å; V789-P908 PolarHBondContact N-O 3.33Å; Y801-P908 HydrophobicContact CE1-CB 3.98Å; Y801-P908 HydrophobicContact CE1-CG 4.36Å; Y801-P908 HydrophobicContact CE2-CB 4.34Å; W816-P908 HydrophobicContact CE3-CG 4.29Å; W816-P908 HydrophobicContact CZ3-CG 3.9Å; P908-Y921 HydrophobicContact CB-CE1 4.27Å; P908-Y921 HydrophobicContact CG-CE1 4.49Å; P908-L937 HydrophobicContact CB-CD1 4.48Å; P908-L937 HydrophobicContact CG-CD1 3.4Å
909	A	97.1	Very high	88.8	Confident	3 Å²	3	27.5 Å²	27.5	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.9	-173.6	0	0	0	0	0	111	F787 R788 G815 L825 Y907	F787-A909 WeakPolarHBondContact O-CA 3.25Å; F787-A909 WeakPolarHBondContact O-CB 3.44Å; R788-A909 HydrophobicContact CG-CB 4.04Å; G815-A909 CarbonylContact C-O 3.32Å; G815-A909 PolarHBondContact N-O 3.38Å; G815-A909 PolarHBondContact O-N 2.91Å; L825-A909 HydrophobicContact CD1-CB 4.02Å; Y907-A909 PolarHBondContact O-N 3Å
910	A	96.4	Very high	89.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.7	166.1	0	0	0	0	0	111	G786 F787 R813 I814 L917	G786-A910 CarbonylContact C-O 3.59Å; G786-A910 WeakPolarHBondContact CA-O 3.11Å; F787-A910 HydrophobicContact CD1-CB 4.47Å; F787-A910 WeakPolarHBondContact CD1-O 3.47Å; F787-A910 HydrophobicContact CE1-CB 3.69Å; F787-A910 HydrophobicContact CZ-CB 3.78Å; F787-A910 PolarHBondContact N-O 3.5Å; F787-A910 PolarHBondContact O-N 3.16Å; R813-A910 CarbonylContact O-C 3.46Å; R813-A910 WeakPolarHBondContact O-CA 3.4Å; R813-A910 VanDerWaalsContact O-CB 3.25Å; R813-A910 WeakPolarHBondContact O-CB 3.47Å; I814-A910 HydrophobicContact CG1-CB 4.41Å; A910-L917 HydrophobicContact CB-CD1 3.98Å
911	S	94.5	Very high	90.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.8	161	64.7	0	0	0	0	110.1	Q785 A812 R813 D824 L825	Q785-S911 WeakPolarHBondContact O-CA 3.33Å; A812-S911 CarbonylContact C-O 3.52Å; A812-S911 VanDerWaalsContact CA-O 3.31Å; A812-S911 WeakPolarHBondContact CA-O 3.33Å; R813-S911 PolarHBondContact N-O 3.3Å; R813-S911 PolarHBondContact O-N 3.34Å; D824-S911 WeakPolarHBondContact OD1-CB 3.42Å; D824-S911 PolarHBondContact OD1-OG 2.78Å; L825-S911 PolarHBondContact N-OG 2.89Å; L825-S911 VanDerWaalsContact N-OG 3.17Å
912	L	92.2	Very high	91.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.7	-172.6	53.4	150.6	0	0	0	112.5	L767 V776 A778 Q785 F787 L811 A812 T915 L917	L767-L912 HydrophobicContact CD1-CD1 4.03Å; L767-L912 HydrophobicContact CD1-CD2 4.03Å; L767-L912 HydrophobicContact CD1-CG 4.02Å; V776-L912 HydrophobicContact CG1-CD1 4.28Å; V776-L912 HydrophobicContact CG1-CD2 4.22Å; A778-L912 HydrophobicContact CB-CD1 3.78Å; A778-L912 HydrophobicContact CB-CG 4Å; Q785-L912 PolarHBondContact N-O 3.3Å; Q785-L912 WeakPolarHBondContact O-CD2 3.29Å; Q785-L912 PolarHBondContact O-N 3.24Å; F787-L912 HydrophobicContact CD1-CD2 3.99Å; F787-L912 HydrophobicContact CE1-CD2 3.75Å; L811-L912 CarbonylContact O-C 3.5Å; L811-L912 VanDerWaalsContact O-CA 3.23Å; L811-L912 WeakPolarHBondContact O-CA 3.44Å; L811-L912 WeakPolarHBondContact O-CB 3.21Å; A812-L912 HydrophobicContact CB-CB 4.4Å; L912-T915 HydrophobicContact CB-CG2 3.88Å; L912-T915 HydrophobicContact CD1-CG2 4.28Å; L912-L917 HydrophobicContact CB-CD1 4.46Å; L912-L917 HydrophobicContact CD1-CG 4.46Å; L912-L917 HydrophobicContact CD2-CD1 4.1Å
913	V	88.9	Confident	91.5	Very high	21 Å²	21	15 Å²	15	13%	0.127	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.4	177.3	-170.3	0	0	0	0	107.3	W784 G810 L811 T915	W784-V913 HydrophobicContact CB-CG2 4.34Å; W784-V913 HydrophobicContact CD2-CG2 3.35Å; W784-V913 HydrophobicContact CE3-CG2 3.68Å; W784-V913 HydrophobicContact CG-CG2 3.67Å; W784-V913 HydrophobicContact CH2-CG2 4.36Å; W784-V913 HydrophobicContact CZ2-CG2 4.08Å; W784-V913 HydrophobicContact CZ3-CG2 4.17Å; G810-V913 CarbonylContact C-O 3.51Å; G810-V913 WeakPolarHBondContact CA-O 3.23Å; L811-V913 HydrophobicContact CB-CB 4.06Å; L811-V913 HydrophobicContact CB-CG2 4.09Å; L811-V913 HydrophobicContact CD1-CG2 4.26Å; L811-V913 HydrophobicContact CG-CB 4.43Å; L811-V913 PolarHBondContact N-O 3.41Å; L811-V913 PolarHBondContact O-N 3.23Å; V913-T915 PolarHBondContact O-N 3.15Å
914	D	85.9	Confident	91.6	Very high	38 Å²	38	11.8 Å²	11.8	20%	0.203	7%	0.067	C	C	.	.	S	Bend	trans	46.5	32.2	167.3	-59.6	1.4	0	0	0	115.9	E780 N781 S809	E780-D914 VanDerWaalsContact CA-OD1 3.31Å; E780-D914 WeakPolarHBondContact CA-OD1 3.16Å; N781-D914 PolarHBondContact N-OD1 3.22Å; N781-D914 PolarHBondContact N-OD2 3.1Å; S809-D914 CarbonylContact C-O 3.49Å; S809-D914 WeakPolarHBondContact CB-O 3.26Å; S809-D914 PolarHBondContact OG-O 2.84Å
915	T	89.5	Confident	91.4	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.025	9%	0.093	C	C	.	.			trans	-142.9	176.3	-177	-158.3	0	0	0	0	111.7	R533 A778 E807 S809 L811 L912 V913	R533-T915 VanDerWaalsContact NH2-C 3.33Å; R533-T915 PolarHBondContact NH2-O 3.04Å; R533-T915 VanDerWaalsContact NH2-O 3.11Å; A778-T915 PolarHBondContact N-O 3.44Å; E807-T915 VanDerWaalsContact OE2-CA 3.29Å; E807-T915 WeakPolarHBondContact OE2-CA 3.43Å; S809-T915 WeakPolarHBondContact O-CB 3.48Å; S809-T915 PolarHBondContact O-OG1 3.43Å; L811-T915 WeakPolarHBondContact O-CG2 3.28Å; L912-T915 HydrophobicContact CB-CG2 3.88Å; L912-T915 HydrophobicContact CD1-CG2 4.28Å; V913-T915 PolarHBondContact O-N 3.15Å
916	T	92	Very high	91.3	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.5	177.9	-57.1	0	0	0	0	110.4	L536 F775 V776 Q777 V806 E807	L536-T916 HydrophobicContact CD2-CG2 4.29Å; F775-T916 HydrophobicContact CD1-CG2 4.42Å; V776-T916 CarbonylContact O-C 3.55Å; V776-T916 VanDerWaalsContact O-CA 3.26Å; V776-T916 WeakPolarHBondContact O-CA 3.46Å; Q777-T916 HydrophobicContact CB-CG2 4.18Å; Q777-T916 WeakPolarHBondContact CG-OG1 3.45Å; Q777-T916 PolarHBondContact NE2-OG1 2.94Å; V806-T916 HydrophobicContact CB-CG2 3.99Å; V806-T916 WeakPolarHBondContact CB-O 3.39Å; V806-T916 HydrophobicContact CG1-CG2 4.26Å; V806-T916 HydrophobicContact CG2-CG2 4.29Å; V806-T916 PolarHBondContact N-O 2.75Å; E807-T916 WeakPolarHBondContact OE2-CB 3.48Å; E807-T916 PolarHBondContact OE2-N 2.92Å; E807-T916 PolarHBondContact OE2-OG1 3.36Å
917	L	94.2	Very high	91.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.5	176.8	-58.5	179.8	0	0	0	110.2	F775 V776 V803 I805 A812 I814 A910 L912 L919	F775-L917 CarbonylContact C-O 3.52Å; F775-L917 VanDerWaalsContact CA-O 3.29Å; F775-L917 WeakPolarHBondContact CA-O 3.13Å; V776-L917 PolarHBondContact N-O 3.3Å; V776-L917 PolarHBondContact O-N 2.87Å; V803-L917 HydrophobicContact CG1-CB 4.04Å; V803-L917 HydrophobicContact CG1-CD1 4.37Å; V803-L917 HydrophobicContact CG1-CD2 4.14Å; V803-L917 HydrophobicContact CG1-CG 4.42Å; I805-L917 HydrophobicContact CD1-CD2 3.59Å; A812-L917 HydrophobicContact CB-CD1 4.14Å; A812-L917 HydrophobicContact CB-CD2 3.99Å; I814-L917 HydrophobicContact CD1-CD2 4.42Å; I814-L917 HydrophobicContact CG1-CD1 4.27Å; A910-L917 HydrophobicContact CB-CD1 3.98Å; L912-L917 HydrophobicContact CB-CD1 4.46Å; L912-L917 HydrophobicContact CD1-CG 4.46Å; L912-L917 HydrophobicContact CD2-CD1 4.1Å; L917-L919 HydrophobicContact CB-CD1 4.34Å
918	E	94.4	Very high	90.9	Very high	43 Å²	43	23.9 Å²	23.9	20%	0.201	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130	165.8	173.8	-176.3	-138.6	0	0	108.5	R774 F775 V803 R804 V806	R774-E918 CarbonylContact O-C 3.56Å; R774-E918 WeakPolarHBondContact O-CA 3.32Å; F775-E918 HydrophobicContact CD1-CB 3.95Å; F775-E918 HydrophobicContact CD1-CG 4.44Å; F775-E918 HydrophobicContact CD2-CG 4.41Å; F775-E918 HydrophobicContact CE1-CB 3.72Å; F775-E918 HydrophobicContact CE1-CG 3.97Å; F775-E918 HydrophobicContact CE2-CB 4.46Å; F775-E918 HydrophobicContact CE2-CG 3.91Å; F775-E918 HydrophobicContact CG-CB 4.43Å; F775-E918 HydrophobicContact CZ-CB 3.99Å; F775-E918 VanDerWaalsContact CZ-CD 3.45Å; F775-E918 HydrophobicContact CZ-CG 3.68Å; F775-E918 WeakPolarHBondContact CZ-OE1 3.46Å; V803-E918 CarbonylContact C-O 3.53Å; V803-E918 VanDerWaalsContact CA-O 3.28Å; V803-E918 WeakPolarHBondContact CA-O 3.31Å; V803-E918 WeakPolarHBondContact CG1-O 3.47Å; R804-E918 HydrophobicContact CB-CB 4.33Å; R804-E918 IonicContact CZ-OE2 3.52Å; R804-E918 PolarHBondContact N-O 3.25Å; R804-E918 IonicContact NE-OE2 3.69Å; R804-E918 PolarHBondContact NE-OE2 2.91Å; R804-E918 IonicContact NH2-OE1 3.65Å; R804-E918 IonicContact NH2-OE2 2.69Å; R804-E918 PolarHBondContact NH2-OE2 3.45Å; R804-E918 PolarHBondContact O-N 2.95Å; V806-E918 HydrophobicContact CG2-CB 3.75Å
919	L	94.7	Very high	90.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	-179.4	-61.2	98.1	0	0	0	110.9	V756 R774 V776 F787 Y801 V803 L917 Y921	V756-L919 HydrophobicContact CG2-CD1 4.33Å; R774-L919 WeakPolarHBondContact O-CD1 3.14Å; R774-L919 PolarHBondContact O-N 3.18Å; V776-L919 HydrophobicContact CG2-CD1 3.97Å; F787-L919 HydrophobicContact CE2-CD1 4.46Å; F787-L919 HydrophobicContact CE2-CD2 4.06Å; F787-L919 HydrophobicContact CZ-CD1 3.83Å; F787-L919 HydrophobicContact CZ-CD2 3.82Å; Y801-L919 HydrophobicContact CE2-CD2 4.34Å; V803-L919 HydrophobicContact CG1-CG 4.31Å; V803-L919 HydrophobicContact CG2-CD2 3.82Å; V803-L919 HydrophobicContact CG2-CG 3.94Å; L917-L919 HydrophobicContact CB-CD1 4.34Å; L919-Y921 HydrophobicContact CB-CE1 4.23Å; L919-Y921 HydrophobicContact CB-CE2 4.01Å; L919-Y921 WeakPolarHBondContact CB-OH 3.41Å; L919-Y921 HydrophobicContact CD2-CE1 4.33Å; L919-Y921 WeakPolarHBondContact CD2-OH 3.29Å
920	N	93.9	Very high	89.9	Confident	18 Å²	18	28.8 Å²	28.8	10%	0.096	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.9	172.5	177.7	13.9	0	0	0	109.1	Y801 E802 G922 D923 L924 P925 F926	Y801-N920 WeakPolarHBondContact CB-O 3.38Å; E802-N920 HydrophobicContact CB-CB 4.4Å; E802-N920 PolarHBondContact N-O 2.99Å; E802-N920 PolarHBondContact O-N 3.22Å; N920-G922 PolarHBondContact OD1-N 2.94Å; N920-D923 PolarHBondContact OD1-N 3.1Å; N920-L924 PolarHBondContact ND2-O 2.9Å; N920-L924 PolarHBondContact OD1-N 3.4Å; N920-L924 PolarHBondContact OD1-O 3.26Å; N920-P925 PolarHBondContact ND2-O 2.91Å; N920-F926 WeakPolarHBondContact ND2-CD1 3.42Å
921	Y	92.8	Very high	89	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-96.4	2.5	-178.2	-51.1	-79.1	0	0	0	113.1	W754 V789 Y801 P908 L919 L937 F938	W754-Y921 HydrophobicContact CB-CD1 4.16Å; W754-Y921 HydrophobicContact CB-CD2 3.57Å; W754-Y921 HydrophobicContact CB-CE2 4.22Å; W754-Y921 HydrophobicContact CB-CG 3.52Å; W754-Y921 HydrophobicContact CG-CG 4.34Å; W754-Y921 WeakPolarHBondContact O-CD2 3.35Å; W754-Y921 WeakPolarHBondContact O-CE2 3.38Å; V789-Y921 HydrophobicContact CG1-CE1 4.32Å; V789-Y921 HydrophobicContact CG2-CE1 3.9Å; V789-Y921 WeakPolarHBondContact CG2-OH 3.4Å; Y801-Y921 HydrophobicContact CD2-CD1 4.24Å; Y801-Y921 HydrophobicContact CD2-CE1 4.3Å; Y801-Y921 HydrophobicContact CG-CD1 4.36Å; P908-Y921 HydrophobicContact CB-CE1 4.27Å; P908-Y921 HydrophobicContact CG-CE1 4.49Å; L919-Y921 HydrophobicContact CB-CE1 4.23Å; L919-Y921 HydrophobicContact CB-CE2 4.01Å; L919-Y921 WeakPolarHBondContact CB-OH 3.41Å; L919-Y921 HydrophobicContact CD2-CE1 4.33Å; L919-Y921 WeakPolarHBondContact CD2-OH 3.29Å; Y921-L937 HydrophobicContact CD1-CD1 4.23Å; Y921-L937 PolarHBondContact O-N 2.59Å; Y921-F938 VanDerWaalsContact O-CB 3.25Å; Y921-F938 WeakPolarHBondContact O-CB 3.48Å; Y921-F938 PolarHBondContact O-N 2.87Å
922	G	87.7	Confident	88.1	Confident	22 Å²	22	42.5 Å²	42.5	23%	0.227	23%	0.227	C	C	.	.	S	Bend	trans	106.7	6	-169.5	0	0	0	0	0	113.5	N920 L924 F926	N920-G922 PolarHBondContact OD1-N 2.94Å; G922-L924 VanDerWaalsContact C-N 3.32Å; G922-L924 CarbonylContact C-O 3.59Å; G922-F926 VanDerWaalsContact CA-CZ 3.45Å
923	D	80.3	Confident	87.6	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.27	C	S	.	.	S	Bend	trans	-93.4	7.7	175.1	72.4	-46.1	0	0	0	113.4	A545 R554 R755 R774 N920 F938	A545-D923 HydrophobicContact CB-CB 3.92Å; R554-D923 PolarHBondContact NH2-O 3.24Å; R755-D923 IonicContact CZ-OD2 2.97Å; R755-D923 VanDerWaalsContact CZ-OD2 3.26Å; R755-D923 IonicContact NH1-OD1 3.52Å; R755-D923 IonicContact NH1-OD2 2.99Å; R755-D923 PolarHBondContact NH1-OD2 2.99Å; R755-D923 IonicContact NH2-OD2 3.47Å; R755-D923 PolarHBondContact NH2-OD2 2.9Å; R774-D923 IonicContact CZ-OD1 2.72Å; R774-D923 IonicContact CZ-OD2 3.75Å; R774-D923 VanDerWaalsContact CZ-OD2 3.31Å; R774-D923 IonicContact NE-OD1 2.86Å; R774-D923 IonicContact NE-OD2 2.67Å; R774-D923 PolarHBondContact NE-OD2 2.95Å; R774-D923 VanDerWaalsContact NE-OD2 3.11Å; R774-D923 PolarHBondContact NH2-O 2.86Å; R774-D923 VanDerWaalsContact NH2-O 3.08Å; R774-D923 IonicContact NH2-OD1 2.77Å; R774-D923 IonicContact NH2-OD2 3.03Å; R774-D923 PolarHBondContact NH2-OD2 3.33Å; N920-D923 PolarHBondContact OD1-N 3.1Å; D923-F938 HydrophobicContact CB-CB 4.4Å; D923-F938 HydrophobicContact CB-CD1 4.11Å; D923-F938 HydrophobicContact CB-CD2 3.57Å; D923-F938 HydrophobicContact CB-CE1 4.4Å; D923-F938 HydrophobicContact CB-CE2 3.92Å; D923-F938 HydrophobicContact CB-CG 3.72Å; D923-F938 HydrophobicContact CB-CZ 4.34Å
924	L	82.3	Confident	87.7	Confident	27 Å²	27	51 Å²	51	14%	0.141	27%	0.27	C	S	.	.	S	Bend	trans	-133.9	159	151.1	-71.9	-178.4	0	0	0	108.9	I556 R774 N920 G922 F926	I556-L924 HydrophobicContact CD1-CD1 4.42Å; I556-L924 HydrophobicContact CG1-CD1 4.19Å; I556-L924 HydrophobicContact CG1-CD2 4.11Å; R774-L924 VanDerWaalsContact NH1-CD1 3.33Å; N920-L924 PolarHBondContact ND2-O 2.9Å; N920-L924 PolarHBondContact OD1-N 3.4Å; N920-L924 PolarHBondContact OD1-O 3.26Å; G922-L924 VanDerWaalsContact C-N 3.32Å; G922-L924 CarbonylContact C-O 3.59Å; L924-F926 PolarHBondContact O-N 3.05Å
925	P	82.6	Confident	87.9	Confident	115 Å²	115	50.8 Å²	50.8	75%	0.747	27%	0.27	S	S	*	.			trans	-52.4	130	169.4	-25.1	34.7	0	0	0	111.7	N920	N920-P925 PolarHBondContact ND2-O 2.91Å
926	F	90.4	Very high	87.9	Confident	33 Å²	33	52.5 Å²	52.5	15%	0.145	28%	0.281	C	S	.	.			trans	-66	148.1	174	-66.4	-53.9	0	0	0	111.3	Y800 E802 N920 G922 L924 P929 P936	Y800-F926 HydrophobicContact CD1-CD2 4.03Å; Y800-F926 HydrophobicContact CD1-CE1 4.1Å; Y800-F926 AromaticContact CD1-CE2 3.55Å; Y800-F926 HydrophobicContact CD1-CE2 3.55Å; Y800-F926 AromaticContact CD1-CZ 3.59Å; Y800-F926 HydrophobicContact CD1-CZ 3.59Å; Y800-F926 AromaticContact CE1-CD1 3.93Å; Y800-F926 HydrophobicContact CE1-CD1 3.93Å; Y800-F926 AromaticContact CE1-CD2 3.81Å; Y800-F926 HydrophobicContact CE1-CD2 3.81Å; Y800-F926 AromaticContact CE1-CE1 3.9Å; Y800-F926 HydrophobicContact CE1-CE1 3.9Å; Y800-F926 AromaticContact CE1-CE2 3.77Å; Y800-F926 HydrophobicContact CE1-CE2 3.77Å; Y800-F926 AromaticContact CE1-CG 3.89Å; Y800-F926 HydrophobicContact CE1-CG 3.89Å; Y800-F926 AromaticContact CE1-CZ 3.82Å; Y800-F926 HydrophobicContact CE1-CZ 3.82Å; E802-F926 HydrophobicContact CB-CD1 4.01Å; E802-F926 HydrophobicContact CB-CE1 4.33Å; E802-F926 HydrophobicContact CG-CB 4.44Å; E802-F926 HydrophobicContact CG-CD1 3.62Å; E802-F926 HydrophobicContact CG-CE1 4.21Å; E802-F926 HydrophobicContact CG-CG 4.31Å; E802-F926 VanDerWaalsContact OE2-CA 3.24Å; E802-F926 WeakPolarHBondContact OE2-CA 3.18Å; E802-F926 WeakPolarHBondContact OE2-CB 3.34Å; E802-F926 WeakPolarHBondContact OE2-CD1 3.39Å; N920-F926 WeakPolarHBondContact ND2-CD1 3.42Å; G922-F926 VanDerWaalsContact CA-CZ 3.45Å; L924-F926 PolarHBondContact O-N 3.05Å; F926-P929 HydrophobicContact CB-CB 4.14Å; F926-P929 HydrophobicContact CD2-CB 4.43Å; F926-P936 HydrophobicContact CE2-CB 3.8Å; F926-P936 HydrophobicContact CE2-CG 3.97Å; F926-P936 HydrophobicContact CZ-CB 3.98Å
927	K	90.6	Very high	87.9	Confident	102 Å²	102	52.5 Å²	52.5	44%	0.443	28%	0.281	S	S	.	.	S	Bend	trans	-77.7	-29.6	174.3	-175.2	167.6	147.6	-156.3	0	111.5	E802 D866 V868	E802-K927 PolarHBondContact OE1-N 2.72Å; E802-K927 PolarHBondContact OE2-N 3.08Å; D866-K927 PolarHBondContact O-NZ 3.24Å; V868-K927 HydrophobicContact CG2-CD 3.9Å
928	Y	91.2	Very high	87.6	Confident	67 Å²	67	55.2 Å²	55.2	26%	0.263	29%	0.293	S	S	.	.	S	Bend	trans	-138.7	66.4	179.3	-57.5	-64.7	0	0	0	110.8	Y800 E802 V868 N885 N886	Y800-Y928 PolarHBondContact OH-O 3.49Å; E802-Y928 PolarHBondContact OE1-N 3.05Å; V868-Y928 HydrophobicContact CB-CD2 3.92Å; V868-Y928 HydrophobicContact CB-CE2 3.95Å; V868-Y928 HydrophobicContact CG1-CD2 4.2Å; V868-Y928 HydrophobicContact CG2-CE2 4.29Å; N885-Y928 VanDerWaalsContact CA-CE2 3.48Å; N885-Y928 HydrophobicContact CB-CE2 3.94Å; N886-Y928 HydrophobicContact CB-CD1 3.73Å; N886-Y928 HydrophobicContact CB-CG 4.02Å
929	P	88	Confident	87.2	Confident	75 Å²	75	55.4 Å²	55.4	49%	0.487	30%	0.302	S	S	.	.			trans	-57.3	145.2	178	26	-34.8	0	0	0	111.3	F926	F926-P929 HydrophobicContact CB-CB 4.14Å; F926-P929 HydrophobicContact CD2-CB 4.43Å
930	P	85.5	Confident	86.8	Confident	31 Å²	31	55.9 Å²	55.9	20%	0.201	31%	0.306	C	S	.	.			trans	-67.9	156.9	-179.3	28.7	-34.5	0	0	0	112.5	Y800 F872 W934	Y800-P930 HydrophobicContact CD1-CG 4.17Å; Y800-P930 HydrophobicContact CD2-CG 4.44Å; Y800-P930 HydrophobicContact CG-CG 4.1Å; F872-P930 HydrophobicContact CE1-CB 4.03Å; P930-W934 HydrophobicContact CB-CB 4.1Å; P930-W934 HydrophobicContact CB-CG 4.07Å; P930-W934 HydrophobicContact CG-CB 3.69Å; P930-W934 HydrophobicContact CG-CG 4.21Å
931	E	78.4	Confident	86.4	Confident	173 Å²	173	57.7 Å²	57.7	81%	0.808	32%	0.32	S	S	*	.	S	Bend	trans	-87.1	-26.5	-177.5	-63.8	-174.8	179.6	0	0	113.7
932	D	74.2	Confident	85.9	Confident	114 Å²	114	64 Å²	64	61%	0.61	35%	0.353	S	S	*	.	S	Bend	trans	-94.1	176.5	174.8	-27.2	-82.3	0	0	0	112.7	W934	D932-W934 PolarHBondContact O-N 3.01Å; D932-W934 PolarHBondContact OD2-NE1 3.18Å
933	D	82.5	Confident	86	Confident	169 Å²	169	68.5 Å²	68.5	90%	0.904	37%	0.369	S	S	*	.			trans	-67.2	44.5	178.3	-64.3	-47.1	0	0	0	115.2
934	W	89.7	Confident	86.4	Confident	31 Å²	31	70.1 Å²	70.1	12%	0.117	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-73.7	125.8	173.4	-66.6	83.4	0	0	0	110.6	A798 F872 D874 P930 D932 P936	A798-W934 HydrophobicContact CB-CD2 4.11Å; A798-W934 HydrophobicContact CB-CE3 3.64Å; A798-W934 HydrophobicContact CB-CH2 4.37Å; A798-W934 HydrophobicContact CB-CZ3 3.78Å; F872-W934 HydrophobicContact CB-CE3 4.22Å; F872-W934 HydrophobicContact CB-CH2 3.99Å; F872-W934 HydrophobicContact CB-CZ3 3.72Å; F872-W934 AromaticContact CD1-CD2 3.7Å; F872-W934 HydrophobicContact CD1-CD2 3.7Å; F872-W934 AromaticContact CD1-CE2 3.74Å; F872-W934 AromaticContact CD1-CE3 3.77Å; F872-W934 HydrophobicContact CD1-CE3 3.77Å; F872-W934 HydrophobicContact CD1-CG 4.35Å; F872-W934 HydrophobicContact CD1-CH2 4.04Å; F872-W934 AromaticContact CD1-CZ2 3.93Å; F872-W934 HydrophobicContact CD1-CZ2 3.93Å; F872-W934 AromaticContact CD1-CZ3 3.96Å; F872-W934 HydrophobicContact CD1-CZ3 3.96Å; F872-W934 HydrophobicContact CE1-CD2 4.3Å; F872-W934 HydrophobicContact CG-CE3 4.48Å; F872-W934 HydrophobicContact CG-CZ3 4.36Å; D874-W934 HydrophobicContact CB-CH2 4.01Å; D874-W934 HydrophobicContact CB-CZ3 4.2Å; P930-W934 HydrophobicContact CB-CB 4.1Å; P930-W934 HydrophobicContact CB-CG 4.07Å; P930-W934 HydrophobicContact CG-CB 3.69Å; P930-W934 HydrophobicContact CG-CG 4.21Å; D932-W934 PolarHBondContact O-N 3.01Å; D932-W934 PolarHBondContact OD2-NE1 3.18Å; W934-P936 WeakPolarHBondContact O-CD 3.28Å
935	T	90.6	Very high	86.8	Confident	34 Å²	34	70 Å²	70	21%	0.209	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.3	178.8	-58	0	0	0	0	110	A798 Y799 Y800 L937 A939	A798-T935 WeakPolarHBondContact O-CB 3.34Å; A798-T935 PolarHBondContact O-N 3.01Å; Y799-T935 CarbonylContact C-O 3.26Å; Y799-T935 VanDerWaalsContact CA-O 3.26Å; Y799-T935 WeakPolarHBondContact CA-O 3.34Å; Y799-T935 HydrophobicContact CD1-CG2 4.19Å; Y799-T935 HydrophobicContact CE1-CG2 4.07Å; Y800-T935 PolarHBondContact N-O 2.81Å; T935-L937 PolarHBondContact O-N 3.47Å; T935-A939 HydrophobicContact CG2-CB 4.38Å
936	P	90.9	Very high	87.2	Confident	40 Å²	40	68.5 Å²	68.5	26%	0.26	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	136.9	167.5	-20.5	30.3	0	0	0	109.4	F926 W934 F938 A939 A940	F926-P936 HydrophobicContact CE2-CB 3.8Å; F926-P936 HydrophobicContact CE2-CG 3.97Å; F926-P936 HydrophobicContact CZ-CB 3.98Å; W934-P936 WeakPolarHBondContact O-CD 3.28Å; P936-F938 PolarHBondContact O-N 3.31Å; P936-F938 VanDerWaalsContact O-N 3.1Å; P936-A939 HydrophobicContact CB-CB 4.25Å; P936-A939 HydrophobicContact CG-CB 4.31Å; P936-A939 CarbonylContact O-C 3.5Å; P936-A939 WeakPolarHBondContact O-CA 3.33Å; P936-A939 PolarHBondContact O-N 3.11Å; P936-A940 PolarHBondContact O-N 3.41Å
937	L	92	Very high	87.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-52.8	-36.8	177.6	-78.2	178.1	0	0	0	112.4	W754 I793 Y799 Y800 Y801 W816 P908 Y921 T935 A939 A940	W754-L937 HydrophobicContact CD2-CB 4.18Å; W754-L937 VanDerWaalsContact CE2-O 3.27Å; W754-L937 HydrophobicContact CE3-CB 4.29Å; W754-L937 HydrophobicContact CE3-CD1 4.24Å; W754-L937 HydrophobicContact CH2-CD2 4.01Å; W754-L937 HydrophobicContact CZ2-CB 4.35Å; W754-L937 HydrophobicContact CZ2-CD2 4.43Å; W754-L937 WeakPolarHBondContact CZ2-O 3.4Å; W754-L937 HydrophobicContact CZ3-CB 4.45Å; W754-L937 HydrophobicContact CZ3-CD1 4.16Å; W754-L937 HydrophobicContact CZ3-CD2 4.19Å; W754-L937 PolarHBondContact NE1-O 3.14Å; I793-L937 HydrophobicContact CD1-CD2 4.5Å; I793-L937 HydrophobicContact CG1-CD2 3.54Å; I793-L937 HydrophobicContact CG2-CD2 4.33Å; Y799-L937 HydrophobicContact CD1-CD2 4.04Å; Y799-L937 HydrophobicContact CG-CD2 4.06Å; Y800-L937 PolarHBondContact O-N 3.13Å; Y801-L937 HydrophobicContact CD1-CD1 3.6Å; Y801-L937 HydrophobicContact CE1-CD1 4.38Å; Y801-L937 HydrophobicContact CG-CD1 3.97Å; W816-L937 HydrophobicContact CH2-CD1 3.86Å; W816-L937 HydrophobicContact CH2-CD2 4.1Å; W816-L937 HydrophobicContact CH2-CG 4.25Å; W816-L937 HydrophobicContact CZ3-CD1 3.98Å; W816-L937 HydrophobicContact CZ3-CD2 4.22Å; P908-L937 HydrophobicContact CB-CD1 4.48Å; P908-L937 HydrophobicContact CG-CD1 3.4Å; Y921-L937 HydrophobicContact CD1-CD1 4.23Å; Y921-L937 PolarHBondContact O-N 2.59Å; T935-L937 PolarHBondContact O-N 3.47Å; L937-A939 PolarHBondContact O-N 3.09Å; L937-A940 VanDerWaalsContact O-CB 3.22Å; L937-A940 WeakPolarHBondContact O-CB 3.46Å; L937-A940 PolarHBondContact O-N 3.02Å; L937-A940 VanDerWaalsContact O-N 3.13Å
938	F	86.9	Confident	87.2	Confident	58 Å²	58	66 Å²	66	25%	0.254	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59.7	-29.7	174.9	-172	-106.4	0	0	0	114.4	A545 A546 Y921 D923 P936	A545-F938 HydrophobicContact CB-CZ 4.45Å; A545-F938 VanDerWaalsContact O-CZ 3.26Å; A545-F938 WeakPolarHBondContact O-CZ 3.29Å; A546-F938 HydrophobicContact CB-CE2 4.33Å; Y921-F938 VanDerWaalsContact O-CB 3.25Å; Y921-F938 WeakPolarHBondContact O-CB 3.48Å; Y921-F938 PolarHBondContact O-N 2.87Å; D923-F938 HydrophobicContact CB-CB 4.4Å; D923-F938 HydrophobicContact CB-CD1 4.11Å; D923-F938 HydrophobicContact CB-CD2 3.57Å; D923-F938 HydrophobicContact CB-CE1 4.4Å; D923-F938 HydrophobicContact CB-CE2 3.92Å; D923-F938 HydrophobicContact CB-CG 3.72Å; D923-F938 HydrophobicContact CB-CZ 4.34Å; P936-F938 PolarHBondContact O-N 3.31Å; P936-F938 VanDerWaalsContact O-N 3.1Å
939	A	85.6	Confident	87	Confident	46 Å²	46	65.9 Å²	65.9	38%	0.38	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-98.2	10	178.4	0	0	0	0	0	113.4	T935 P936 L937 S941	T935-A939 HydrophobicContact CG2-CB 4.38Å; P936-A939 HydrophobicContact CB-CB 4.25Å; P936-A939 HydrophobicContact CG-CB 4.31Å; P936-A939 CarbonylContact O-C 3.5Å; P936-A939 WeakPolarHBondContact O-CA 3.33Å; P936-A939 PolarHBondContact O-N 3.11Å; L937-A939 PolarHBondContact O-N 3.09Å; A939-S941 PolarHBondContact O-N 3.37Å
940	A	87.4	Confident	86.9	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	35%	0.345	C	S	.	.			trans	-61.9	131.5	172.7	0	0	0	0	0	110.7	W754 I793 Y799 P936 L937 V945	W754-A940 HydrophobicContact CZ2-CB 4.45Å; I793-A940 HydrophobicContact CG2-CB 4.09Å; Y799-A940 HydrophobicContact CD1-CB 4.24Å; Y799-A940 HydrophobicContact CE1-CB 3.56Å; P936-A940 PolarHBondContact O-N 3.41Å; L937-A940 VanDerWaalsContact O-CB 3.22Å; L937-A940 WeakPolarHBondContact O-CB 3.46Å; L937-A940 PolarHBondContact O-N 3.02Å; L937-A940 VanDerWaalsContact O-N 3.13Å; A940-V945 HydrophobicContact CB-CG2 3.56Å
941	S	85.3	Confident	86.9	Confident	55 Å²	55	66 Å²	66	39%	0.385	34%	0.343	S	S	.	.			trans	-63.6	135.4	174.1	-176.8	0	0	0	0	110.4	A939 E943 Y944	A939-S941 PolarHBondContact O-N 3.37Å; S941-E943 PolarHBondContact O-N 2.86Å; S941-Y944 PolarHBondContact O-N 3.44Å
942	D	82.8	Confident	86.3	Confident	132 Å²	132	61 Å²	61	71%	0.706	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-54.4	-24.4	-175.9	-67.3	-51.1	0	0	0	113.7	Y944 V945	D942-Y944 PolarHBondContact O-N 2.86Å; D942-V945 PolarHBondContact O-N 2.82Å
943	E	88.1	Confident	85.5	Confident	117 Å²	117	59 Å²	59	55%	0.547	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64.2	-18.5	175.8	75	-174.5	171.7	0	0	114.3	F794 R797 S941	F794-E943 WeakPolarHBondContact CZ-O 3.29Å; R797-E943 IonicContact NH2-OE1 2.74Å; S941-E943 PolarHBondContact O-N 2.86Å
944	Y	89.7	Confident	83.7	Confident	41 Å²	41	52.5 Å²	52.5	16%	0.161	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-108	-3.1	176.4	-57.9	-64.9	0	0	0	113.3	I793 F794 R797 Y799 S941 D942	I793-Y944 VanDerWaalsContact CA-O 3.29Å; I793-Y944 WeakPolarHBondContact CA-O 3.17Å; F794-Y944 WeakPolarHBondContact CD1-O 3.14Å; F794-Y944 VanDerWaalsContact CE1-C 3.45Å; F794-Y944 WeakPolarHBondContact CE1-O 3.13Å; F794-Y944 PolarHBondContact N-O 3.43Å; F794-Y944 WeakPolarHBondContact O-CB 3.36Å; F794-Y944 WeakPolarHBondContact O-CD1 3.29Å; R797-Y944 VanDerWaalsContact NE-CE2 3.34Å; Y799-Y944 WeakPolarHBondContact OH-CB 3.29Å; S941-Y944 PolarHBondContact O-N 3.44Å; D942-Y944 PolarHBondContact O-N 2.86Å
945	V	90.2	Very high	80.8	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.8	-171.5	-179.5	0	0	0	0	109.9	W754 K791 G792 I793 A940 D942	W754-V945 HydrophobicContact CH2-CG1 4.26Å; W754-V945 HydrophobicContact CZ2-CG1 3.76Å; W754-V945 HydrophobicContact CZ2-CG2 3.95Å; K791-V945 HydrophobicContact CB-CG1 4.04Å; K791-V945 HydrophobicContact CD-CG1 3.82Å; K791-V945 HydrophobicContact CG-CG1 4.25Å; G792-V945 WeakPolarHBondContact O-CA 3.33Å; I793-V945 HydrophobicContact CG2-CG2 4.09Å; A940-V945 HydrophobicContact CB-CG2 3.56Å; D942-V945 PolarHBondContact O-N 2.82Å
946	F	91.5	Very high	77.8	Confident	85 Å²	85	61.6 Å²	61.6	37%	0.373	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.6	179.4	-167.1	-96.5	0	0	0	110.5	K791 G792 F794 P905 Y907 P949	K791-F946 CarbonylContact C-O 3.53Å; K791-F946 VanDerWaalsContact CA-O 3.29Å; K791-F946 WeakPolarHBondContact CA-O 3.3Å; G792-F946 PolarHBondContact N-O 3.28Å; G792-F946 PolarHBondContact O-N 2.94Å; F794-F946 HydrophobicContact CD1-CB 4.25Å; F794-F946 HydrophobicContact CE1-CB 4.11Å; P905-F946 HydrophobicContact CB-CB 3.77Å; P905-F946 HydrophobicContact CB-CD1 4.19Å; P905-F946 HydrophobicContact CB-CG 4.16Å; P905-F946 HydrophobicContact CG-CB 4.12Å; P905-F946 HydrophobicContact CG-CD1 3.63Å; P905-F946 HydrophobicContact CG-CE1 4.17Å; P905-F946 HydrophobicContact CG-CG 3.93Å; Y907-F946 WeakPolarHBondContact OH-CD1 3.37Å; F946-P949 HydrophobicContact CE1-CG 4.15Å
947	E	89.9	Confident	74.6	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.6	175.2	-173	165.7	-118.9	0	0	110.7	W951	E947-W951 HydrophobicContact CG-CB 4.39Å; E947-W951 HydrophobicContact CG-CG 4.46Å
948	S	90.3	Very high	71.3	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.411	C	S	.	.			trans	-59	131.7	-174.4	-177.1	0	0	0	0	111.3	N757 N790 K950 W951	N757-S948 PolarHBondContact ND2-OG 3.22Å; N790-S948 VanDerWaalsContact O-CB 3.31Å; N790-S948 WeakPolarHBondContact O-CB 3.49Å; N790-S948 PolarHBondContact O-N 3.4Å; S948-K950 PolarHBondContact O-N 2.87Å; S948-K950 PolarHBondContact OG-N 3.3Å; S948-W951 VanDerWaalsContact O-CB 3.31Å; S948-W951 WeakPolarHBondContact O-CB 3.43Å; S948-W951 PolarHBondContact O-N 3.23Å
949	P	87.6	Confident	68.4	Low	65 Å²	65	79.8 Å²	79.8	42%	0.422	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.3	175.2	-24.3	35.3	0	0	0	113.7	E819 F946	E819-P949 WeakPolarHBondContact OE1-CD 3.36Å; E819-P949 WeakPolarHBondContact OE1-CG 3.43Å; F946-P949 HydrophobicContact CE1-CG 4.15Å
950	K	86.8	Confident	65.5	Low	65 Å²	65	84.2 Å²	84.2	28%	0.283	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16	177.6	-58.8	167	-168	166.1	0	112.9	N759 D760 S948	N759-K950 HydrophobicContact CB-CB 4.26Å; N759-K950 WeakPolarHBondContact CB-O 3.48Å; N759-K950 PolarHBondContact ND2-O 3.1Å; D760-K950 HydrophobicContact CB-CD 3.73Å; D760-K950 IonicContact OD1-NZ 3.97Å; D760-K950 PolarHBondContact OD1-NZ 3.47Å; D760-K950 WeakPolarHBondContact OD2-CD 3Å; D760-K950 IonicContact OD2-NZ 3.11Å; D760-K950 PolarHBondContact OD2-NZ 2.92Å; S948-K950 PolarHBondContact O-N 2.87Å; S948-K950 PolarHBondContact OG-N 3.3Å
951	W	83.7	Confident	62.4	Low	43 Å²	43	86.2 Å²	86.2	16%	0.163	48%	0.481	C	S	.	.	S	Bend	trans	-67.4	134.2	-173.2	179.1	-113.1	0	0	0	112.3	V752 N757 N790 E947 S948 G953 S954	V752-W951 HydrophobicContact CG2-CH2 3.87Å; V752-W951 HydrophobicContact CG2-CZ2 3.46Å; V752-W951 VanDerWaalsContact CG2-CZ2 3.46Å; N757-W951 HydrophobicContact CB-CE3 4.35Å; N790-W951 HydrophobicContact CB-CD2 3.64Å; N790-W951 HydrophobicContact CB-CE3 3.3Å; N790-W951 HydrophobicContact CB-CG 4.18Å; N790-W951 HydrophobicContact CB-CH2 4.43Å; N790-W951 HydrophobicContact CB-CZ3 3.73Å; E947-W951 HydrophobicContact CG-CB 4.39Å; E947-W951 HydrophobicContact CG-CG 4.46Å; S948-W951 VanDerWaalsContact O-CB 3.31Å; S948-W951 WeakPolarHBondContact O-CB 3.43Å; S948-W951 PolarHBondContact O-N 3.23Å; W951-G953 PolarHBondContact O-N 3.14Å; W951-S954 VanDerWaalsContact O-CB 3.25Å; W951-S954 WeakPolarHBondContact O-CB 3.4Å; W951-S954 PolarHBondContact O-N 2.84Å
952	P	66.4	Low	59.7	Low	68 Å²	68	92.6 Å²	92.6	44%	0.442	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	120.5	177.4	-22.6	32	0	0	0	112.2
953	G	58.6	Low	56.9	Low	73 Å²	73	91.9 Å²	91.9	75%	0.753	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	1.2	-176.8	0	0	0	0	0	114.9	W951 N955	W951-G953 PolarHBondContact O-N 3.14Å; G953-N955 PolarHBondContact O-N 2.91Å
954	S	44.3	Very low	54.1	Low	31 Å²	31	92.6 Å²	92.6	22%	0.217	52%	0.522	C	S	.	.			trans	-67.7	67.3	168	-166.7	0	0	0	0	111.5	W951 T956	W951-S954 VanDerWaalsContact O-CB 3.25Å; W951-S954 WeakPolarHBondContact O-CB 3.4Å; W951-S954 PolarHBondContact O-N 2.84Å; S954-T956 PolarHBondContact O-N 3.06Å
955	N	27.5	Very low	51.1	Low	150 Å²	150	99.2 Å²	99.2	80%	0.802	55%	0.552	S	S	*	*			trans	-67.4	90.6	159.9	-94.5	-27.6	0	0	0	106.7	G953 V957	G953-N955 PolarHBondContact O-N 2.91Å; N955-V957 PolarHBondContact O-N 3.41Å
956	T	27.8	Very low	48.3	Very low	106 Å²	106	107.1 Å²	107.1	65%	0.65	59%	0.587	S	S	*	*			trans	-56.3	100.1	177.3	-38.4	0	0	0	0	109	S954 K958	S954-T956 PolarHBondContact O-N 3.06Å; T956-K958 VanDerWaalsContact C-N 3.26Å; T956-K958 PolarHBondContact O-N 3.13Å
957	V	24.7	Very low	45.1	Very low	126 Å²	126	109.9 Å²	109.9	76%	0.764	61%	0.605	S	S	*	*			trans	-66.1	96.4	170.2	176.8	0	0	0	0	105.7	N955 Q959	N955-V957 PolarHBondContact O-N 3.41Å; V957-Q959 PolarHBondContact O-N 3.03Å
958	K	22.8	Very low	42.3	Very low	163 Å²	163	111 Å²	111	71%	0.709	63%	0.628	S	S	*	*			trans	-53.5	108.7	171.3	-67.6	177.7	179.4	175.8	0	106.8	T956 N960	T956-K958 VanDerWaalsContact C-N 3.26Å; T956-K958 PolarHBondContact O-N 3.13Å; K958-N960 PolarHBondContact O-N 3.26Å
959	Q	25.7	Very low	39.3	Very low	191 Å²	191	116.4 Å²	116.4	89%	0.893	66%	0.661	S	S	*	*			trans	-71.5	61.7	164.6	-70.2	-159.5	9	0	0	109.3	V957 G961	V957-Q959 PolarHBondContact O-N 3.03Å; Q959-G961 PolarHBondContact O-N 2.97Å
960	N	23.9	Very low	36.7	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	68%	0.682	S	S	*	*			trans	-70.9	78.5	166.1	-84.7	7	0	0	0	107.8	K958	K958-N960 PolarHBondContact O-N 3.26Å
961	G	23.2	Very low	33.9	Very low	54 Å²	54	125.8 Å²	125.8	56%	0.557	70%	0.704	S	S	*	*			trans	19.1	121	167.1	0	0	0	0	0	120	Q959	Q959-G961 PolarHBondContact O-N 2.97Å
962	H	27.5	Very low	31.4	Very low	189 Å²	189	129.6 Å²	129.6	88%	0.875	73%	0.733	S	S	*	*			trans	-128.6	91.1	131.6	-92.5	-65.5	0	0	0	110.6	T964	H962-T964 PolarHBondContact O-N 3.05Å
963	S	23.8	Very low	29.8	Very low	117 Å²	117	135.5 Å²	135.5	82%	0.818	75%	0.751	S	S	*	*			trans	-82.2	100.9	169.4	-176.1	0	0	0	0	109.6	K965	S963-K965 PolarHBondContact O-N 2.68Å
964	T	29.8	Very low	28.5	Very low	133 Å²	133	137.1 Å²	137.1	82%	0.816	75%	0.747	S	S	*	*			trans	-93.3	97	178.3	-36.6	0	0	0	0	109.7	H962	H962-T964 PolarHBondContact O-N 3.05Å
965	K	26.4	Very low	27.9	Very low	179 Å²	179	143.3 Å²	143.3	78%	0.778	77%	0.772	S	S	*	*			trans	-40.1	143	-178.2	-57.3	163.2	-178	171.8	0	114.6	S963	S963-K965 PolarHBondContact O-N 2.68Å
966	H	31.7	Very low	28	Very low	191 Å²	191	141.4 Å²	141.4	88%	0.884	77%	0.766	S	S	*	*			trans	-133.5	150.3	135.8	-136.6	-96.4	0	0	0	111.8
967	L	25.1	Very low	28.1	Very low	143 Å²	143	147 Å²	147	75%	0.749	78%	0.777	S	S	*	*			trans	-80	138.1	-164.2	-94.8	57.8	0	0	0	114.3
968	A	30.7	Very low	28.2	Very low	105 Å²	105	146.9 Å²	146.9	87%	0.868	78%	0.776	S	S	*	*			trans	-151.5	136.7	133	0	0	0	0	0	109.6
969	T	27.5	Very low	28.5	Very low	113 Å²	113	147 Å²	147	69%	0.693	78%	0.779	S	S	*	*			trans	-98.9	144.6	-175.9	45.7	0	0	0	0	112.7
970	H	33.7	Very low	28.8	Very low	185 Å²	185	144 Å²	144	86%	0.856	77%	0.769	S	S	*	*				-164.7	152.9	117.6	-110.7	-80.4	0	0	0	112.3
971	N	26.9	Very low	28.9	Very low	142 Å²	142	145.3 Å²	145.3	76%	0.759	77%	0.771	S	S	*	*			trans	-101.7	144.5	-170.9	-57.7	-57.5	0	0	0	113.4
972	T	32.1	Very low	29.2	Very low	124 Å²	124	152.4 Å²	152.4	76%	0.761	79%	0.787	S	S	*	*				-176.8	127	117.2	27.6	0	0	0	0	109.4
973	K	31.5	Very low	29.1	Very low	192 Å²	192	152.2 Å²	152.2	84%	0.835	79%	0.786	S	S	*	*				57.2	133.4	95.3	-63.5	-169.8	170.1	-169.9	0	113.6
974	T	32.2	Very low	29.3	Very low	107 Å²	107	154.4 Å²	154.4	66%	0.656	79%	0.787	S	S	*	*			cis	-157.1	159.7	37.6	-50	0	0	0	0	112.6
975	E	31.9	Very low	29	Very low	161 Å²	161	153 Å²	153	75%	0.752	78%	0.782	S	S	*	*			trans	14.7	129.7	164.8	-76.2	107.4	-115	0	0	122.1
976	V	30	Very low	29	Very low	109 Å²	109	151.4 Å²	151.4	66%	0.661	78%	0.781	S	S	*	*				77.6	118.4	60	170.9	0	0	0	0	114.3
977	Y	29.5	Very low	28.7	Very low	225 Å²	225	148.5 Å²	148.5	88%	0.882	77%	0.772	S	S	*	*				-163.9	153.2	117.6	-101.9	-68.8	0	0	0	111.3
978	T	25.6	Very low	28.9	Very low	122 Å²	122	147 Å²	147	75%	0.748	77%	0.774	S	S	*	*			trans	-125.8	-170.8	-171.1	-28.6	0	0	0	0	109.8
979	E	30.8	Very low	28.8	Very low	165 Å²	165	148 Å²	148	77%	0.771	77%	0.769	S	S	*	*			trans	77.6	152.1	168.2	-66.2	-175.2	-166.3	0	0	116.6
980	N	30.9	Very low	29	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	76%	0.764	S	S	*	*			cis	-145.6	167.2	1	-134.7	-38.6	0	0	0	113.8
981	Q	25.9	Very low	28.9	Very low	166 Å²	166	144.4 Å²	144.4	78%	0.776	76%	0.759	S	S	*	*			trans	-87.3	152.4	173.4	-58.8	168	-17.2	0	0	111.7
982	K	30.5	Very low	29.2	Very low	203 Å²	203	141.8 Å²	141.8	88%	0.883	75%	0.748	S	S	*	*				177.4	158.7	125.5	-101.1	162.4	-177.2	172.6	0	115.5
983	E	24.1	Very low	29.1	Very low	185 Å²	185	146.4 Å²	146.4	86%	0.864	75%	0.753	S	S	*	*			trans	-73.2	136	170.8	-54	153	106.4	0	0	111.3
984	I	29.7	Very low	29.1	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	74%	0.743	S	S	*	*			trans	-141	124.9	153.9	-65.2	-173.4	0	0	0	107.9
985	S	23.5	Very low	29.2	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	75%	0.751	S	S	*	*			trans	-88.6	152.3	163.4	52	0	0	0	0	110.1
986	L	25.9	Very low	29.2	Very low	146 Å²	146	140.5 Å²	140.5	76%	0.764	75%	0.748	S	S	*	*			trans	164.2	134.5	146.3	-87.2	155.5	0	0	0	112.8
987	N	25.8	Very low	29.3	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	75%	0.747	S	S	*	*			trans	58.4	125.5	139.5	-61.5	-4.5	0	0	0	124.6
988	S	28.1	Very low	29.3	Very low	112 Å²	112	136 Å²	136	78%	0.783	74%	0.738	S	S	*	*			trans	72.9	160.6	130.4	74.5	0	0	0	0	118.7
989	V	30	Very low	29.6	Very low	127 Å²	127	137.8 Å²	137.8	77%	0.77	74%	0.739	S	S	*	*			cis	-127.5	167.5	10.1	176	0	0	0	0	111.1
990	S	30.1	Very low	29.6	Very low	84 Å²	84	135.9 Å²	135.9	59%	0.587	74%	0.735	S	S	*	*			trans	-66.3	-179	177.9	61.9	0	0	0	0	113.8
991	D	31.8	Very low	29.8	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	74%	0.735	S	S	*	*			cis	-138.7	137.3	43.1	-83.7	-44.6	0	0	0	115
992	T	32.8	Very low	30	Very low	87 Å²	87	133.8 Å²	133.8	53%	0.534	73%	0.729	S	S	.	*				76.2	125.2	70	-46.5	0	0	0	0	110.7
993	Y	30	Very low	30.1	Very low	220 Å²	220	133.2 Å²	133.2	86%	0.863	73%	0.727	S	S	*	*			cis	-127.7	164	33.6	-65.8	-103.7	0	0	0	112.2
994	G	31.8	Very low	30.4	Very low	61 Å²	61	129.9 Å²	129.9	63%	0.629	72%	0.719	S	S	*	*			cis	100.9	139.9	16.5	0	0	0	0	0	111.5
995	H	35.1	Very low	30.5	Very low	177 Å²	177	126.7 Å²	126.7	82%	0.819	71%	0.711	S	S	*	*			cis	-165.5	172.2	-1.2	-83.4	-70.8	0	0	0	107.2
996	S	30.6	Very low	31	Very low	99 Å²	99	128.4 Å²	128.4	69%	0.692	71%	0.712	S	S	*	*			cis	-159	-148.7	-11.7	42.7	0	0	0	0	105.9
997	T	32.3	Very low	31.3	Very low	105 Å²	105	125.2 Å²	125.2	64%	0.644	70%	0.702	S	S	*	*			cis	-159.2	114.8	7.9	-71.6	0	0	0	0	105.8
998	I	30.8	Very low	31.7	Very low	133 Å²	133	125.5 Å²	125.5	68%	0.682	70%	0.703	S	S	*	*				61.6	131.1	95.1	-55.8	159.5	0	0	0	117.2
999	M	32.2	Very low	31.8	Very low	160 Å²	160	126.3 Å²	126.3	79%	0.788	70%	0.699	S	S	*	*			trans	149.7	99.3	142.9	-79.8	-61.1	174.2	0	0	110
1000	N	30.8	Very low	32	Very low	126 Å²	126	125.1 Å²	125.1	67%	0.674	69%	0.692	S	S	*	*				84.1	108.4	73.7	-86.9	10.9	0	0	0	116.5
1001	N	34.1	Very low	32	Very low	129 Å²	129	130.4 Å²	130.4	69%	0.69	70%	0.704	S	S	*	*				160	111.4	113.2	-82.9	-24.5	0	0	0	116.8
1002	N	31.1	Very low	31.8	Very low	123 Å²	123	128.6 Å²	128.6	66%	0.658	70%	0.702	S	S	*	*				72.9	150.4	122.8	-51.5	-18.3	0	0	0	125.2
1003	F	30.9	Very low	31.8	Very low	190 Å²	190	130.1 Å²	130.1	83%	0.833	72%	0.716	S	S	*	*			trans	75	142.5	166.8	-61.7	-82	0	0	0	119.7
1004	V	32	Very low	31.9	Very low	116 Å²	116	126.3 Å²	126.3	70%	0.703	72%	0.716	S	S	*	*			cis	178.1	130.6	-40.2	134.3	0	0	0	0	109.1
1005	S	30.8	Very low	32.2	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	73%	0.725	S	S	*	*			trans	43.4	179.8	155.4	85.6	0	0	0	0	120
1006	D	33.9	Very low	32	Very low	140 Å²	140	126.8 Å²	126.8	75%	0.749	73%	0.727	S	S	*	*			cis	-158.2	169.9	-1.2	-101.3	-44.1	0	0	0	106.7
1007	S	31.8	Very low	32	Very low	78 Å²	78	131.1 Å²	131.1	55%	0.545	73%	0.733	S	S	.	*			cis	-175.7	166	-29	59.3	0	0	0	0	109.9
1008	N	33.9	Very low	32	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	74%	0.735	S	S	*	*			trans	65.8	165.4	156	-62.5	-44.8	0	0	0	117.6
1009	N	31.9	Very low	32.1	Very low	128 Å²	128	133.6 Å²	133.6	68%	0.684	74%	0.738	S	S	*	*			cis	-159.7	130.3	-12.2	-114.6	-14.5	0	0	0	108.2
1010	V	32.5	Very low	32	Very low	103 Å²	103	132.9 Å²	132.9	62%	0.624	74%	0.737	S	S	*	*				92.2	120.5	85.3	155.8	0	0	0	0	117.5
1011	K	31	Very low	32.1	Very low	194 Å²	194	132.9 Å²	132.9	84%	0.843	74%	0.742	S	S	*	*			trans	66.7	167.9	155.8	-71.5	167.6	-166.6	173	0	120.4
1012	S	28.3	Very low	32.1	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	74%	0.743	S	S	*	*				172.9	122	-57.3	55.5	0	0	0	0	111.8
1013	S	32.2	Very low	32.1	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	75%	0.75	S	S	*	*			trans	-168.9	126.5	162.2	55.1	0	0	0	0	116.3
1014	T	31.9	Very low	32.2	Very low	141 Å²	141	132.7 Å²	132.7	87%	0.865	75%	0.754	S	S	*	*			trans	-15.7	166.4	161.1	40.6	0	0	0	0	124.6
1015	P	37.5	Very low	32	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	76%	0.755	S	S	*	*			trans	-121.3	176.7	-164.8	44.4	-31.9	0	0	0	117.2
1016	S	32	Very low	32.1	Very low	124 Å²	124	135.9 Å²	135.9	87%	0.867	77%	0.766	S	S	*	*			trans	-157.9	146.9	162.8	60.4	0	0	0	0	116.3
1017	K	30.6	Very low	31.7	Very low	191 Å²	191	139.8 Å²	139.8	83%	0.83	77%	0.77	S	S	*	*			trans	-43.7	159.6	178.3	-48.2	167.4	175.2	-178.3	0	119.2
1018	L	31.9	Very low	31.6	Very low	130 Å²	130	142 Å²	142	68%	0.681	78%	0.78	S	S	*	*				-176.3	148	105.7	-127.1	68.5	0	0	0	115.4
1019	E	32.3	Very low	31.4	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	78%	0.784	S	S	*	*			trans	33.1	154.2	139.3	-74.1	156.6	-142.2	0	0	124.3
1020	D	31	Very low	31.3	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	79%	0.79	S	S	*	*			cis	-174.5	178.8	-24.9	-148.1	-19.3	0	0	0	112.7
1021	V	31.8	Very low	31.2	Very low	126 Å²	126	144.6 Å²	144.6	76%	0.764	80%	0.801	S	S	*	*			trans	84.9	145.4	152	162.6	0	0	0	0	122.1
1022	P	34.6	Very low	31	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	80%	0.798	S	S	*	*			trans	-145.9	-170.8	-150.8	47.1	-26.1	0	0	0	119.5
1023	V	31	Very low	31.1	Very low	134 Å²	134	142.9 Å²	142.9	81%	0.812	80%	0.8	S	S	*	*			trans	62.9	131.4	151.9	167.1	0	0	0	0	122.1
1024	E	33.6	Very low	30.7	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	79%	0.792	S	S	*	*			trans	-155.6	171.4	137.4	-135.9	174.4	-148.7	0	0	112.5
1025	S	28	Very low	30.5	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	78%	0.782	S	S	*	*			trans	-149.8	151.8	-162.2	64.7	0	0	0	0	115.7
1026	I	32.6	Very low	30	Very low	173 Å²	173	142.2 Å²	142.2	89%	0.887	78%	0.778	S	S	*	*			trans	-134.3	148.8	170	-63	-176.6	0	0	0	111.7
1027	R	24.2	Very low	29.7	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	77%	0.766	S	S	*	*			trans	-148.4	130	-168.4	167.3	-165	179.1	-173.9	1.9	111
1028	V	31.4	Very low	29.5	Very low	126 Å²	126	140.8 Å²	140.8	76%	0.764	76%	0.761	S	S	*	*			trans	-151.6	101.5	168.2	-177.4	0	0	0	0	106.2
1029	E	29.6	Very low	29.3	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	77%	0.766	S	S	*	*				78.5	143.1	84.1	-71.7	-173	170.1	0	0	115.9
1030	S	29.7	Very low	29	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	77%	0.768	S	S	*	*			trans	-148.7	146.5	-171.4	56.7	0	0	0	0	110.8
1031	P	31.1	Very low	28.8	Very low	134 Å²	134	141.4 Å²	141.4	87%	0.87	77%	0.769	S	S	*	*			trans	-113.7	163.1	166.4	32.5	-19	0	0	0	114.3
1032	S	26.6	Very low	28.5	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	76%	0.761	S	S	*	*			trans	-109.7	-160.6	-173.4	56.1	0	0	0	0	112.8
1033	I	29.1	Very low	28.1	Very low	149 Å²	149	144.9 Å²	144.9	76%	0.764	76%	0.762	S	S	*	*			trans	97.3	105.1	177.9	-57.3	167	0	0	0	111.1
1034	S	25.3	Very low	27.8	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	74%	0.741	S	S	*	*				69.6	148.4	79	106.1	0	0	0	0	113.2
1035	D	26.5	Very low	27.3	Very low	121 Å²	121	141 Å²	141	65%	0.647	74%	0.738	S	S	*	*			cis	-154.2	162.6	12.8	-107.3	-56.8	0	0	0	110.2
1036	Q	27.2	Very low	27.2	Very low	155 Å²	155	143.3 Å²	143.3	72%	0.724	74%	0.737	S	S	*	*			trans	63.8	155.8	157.8	-65.6	148.1	31.4	0	0	117.2
1037	Q	25.9	Very low	27	Very low	133 Å²	133	141.7 Å²	141.7	62%	0.621	74%	0.736	S	S	*	*			cis	-157.3	172.6	-13.1	-117.7	171.6	-69.7	0	0	109
1038	E	26.4	Very low	27.1	Very low	152 Å²	152	137.5 Å²	137.5	71%	0.71	74%	0.739	S	S	*	*			trans	16.5	138.1	144.1	-69.8	143.2	-135	0	0	120
1039	D	27	Very low	27	Very low	147 Å²	147	140 Å²	140	79%	0.786	74%	0.742	S	S	*	*			cis	-169.5	-170.9	7.3	-142.1	-34.8	0	0	0	112.6
1040	E	27.5	Very low	26.8	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	74%	0.74	S	S	*	*			trans	65.8	84.8	158.1	-68.6	-158.8	150.8	0	0	122
1041	V	25.1	Very low	26.7	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	74%	0.743	S	S	*	*				34	101.6	116.2	-172.2	0	0	0	0	119.5
1042	R	27	Very low	26.6	Very low	161 Å²	161	138.3 Å²	138.3	61%	0.608	73%	0.731	S	S	*	*				-171.3	143.1	126.8	-103.3	153.6	-151.7	-134.2	-5.4	114	S1148 N1149	R1042-S1148 VanDerWaalsContact NH1-CB 3.28Å; R1042-N1149 PolarHBondContact NH2-O 3.39Å
1043	M	25.5	Very low	26.6	Very low	147 Å²	147	143.2 Å²	143.2	72%	0.724	74%	0.742	S	S	*	*			trans	-96.5	168.1	-177.6	-74.2	158.4	53.5	0	0	113.6
1044	F	23.8	Very low	26.6	Very low	86 Å²	86	139.8 Å²	139.8	38%	0.377	73%	0.731	S	S	.	*			trans	74.2	88.3	168.8	-55.9	-67.9	0	0	0	118	Y1144 N1146	F1044-Y1144 HydrophobicContact CD1-CD1 4.2Å; F1044-Y1144 HydrophobicContact CD1-CE1 4.14Å; F1044-Y1144 HydrophobicContact CD2-CD1 4.46Å; F1044-Y1144 AromaticContact CE1-CD1 3.66Å; F1044-Y1144 HydrophobicContact CE1-CD1 3.66Å; F1044-Y1144 AromaticContact CE1-CE1 3.22Å; F1044-Y1144 HydrophobicContact CE1-CE1 3.22Å; F1044-Y1144 HydrophobicContact CE1-CE2 4.25Å; F1044-Y1144 HydrophobicContact CE1-CG 4.37Å; F1044-Y1144 AromaticContact CE1-CZ 3.55Å; F1044-Y1144 AromaticContact CE2-CD1 3.91Å; F1044-Y1144 HydrophobicContact CE2-CD1 3.91Å; F1044-Y1144 HydrophobicContact CE2-CE1 4.02Å; F1044-Y1144 AromaticContact CZ-CD1 3.5Å; F1044-Y1144 HydrophobicContact CZ-CD1 3.5Å; F1044-Y1144 AromaticContact CZ-CE1 3.15Å; F1044-Y1144 HydrophobicContact CZ-CE1 3.15Å; F1044-Y1144 AromaticContact CZ-CZ 3.96Å; F1044-N1146 WeakPolarHBondContact CD2-OD1 3.3Å
1045	L	24.6	Very low	26.8	Very low	160 Å²	160	143.4 Å²	143.4	84%	0.838	74%	0.738	S	S	*	*	S	Bend		-167.2	164.1	110.1	-99.7	160.4	0	0	0	110.6
1046	E	26.1	Very low	26.9	Very low	154 Å²	154	148 Å²	148	72%	0.72	75%	0.752	S	S	*	*			trans	55.3	87.6	164.7	-63.2	-178.7	171.7	0	0	118.9
1047	T	27.3	Very low	26.8	Very low	140 Å²	140	148.8 Å²	148.8	86%	0.859	76%	0.761	S	S	*	*			trans	-151.8	84.1	153.3	12.9	0	0	0	0	112
1048	C	26.1	Very low	26.9	Very low	133 Å²	133	146.3 Å²	146.3	90%	0.899	76%	0.763	S	S	*	*			trans	-159.1	108.5	155.4	-97.4	0	0	0	0	107.2
1049	E	29.7	Very low	26.9	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	77%	0.772	S	S	*	*			trans	-77.6	156.7	-177	-68	-163	127.7	0	0	112.2	I1051	E1049-I1051 PolarHBondContact O-N 2.92Å
1050	P	25.6	Very low	26.9	Very low	119 Å²	119	151 Å²	151	77%	0.773	78%	0.777	S	S	*	*			trans	-69.9	103.7	172.9	29.5	-34.2	0	0	0	110.4	T1052	P1050-T1052 PolarHBondContact O-N 2.79Å
1051	I	28.5	Very low	26.8	Very low	165 Å²	165	151.7 Å²	151.7	85%	0.846	78%	0.78	S	S	*	*			trans	-58.1	122.6	170.6	-60.6	175.9	0	0	0	108.6	E1049	E1049-I1051 PolarHBondContact O-N 2.92Å
1052	T	28.3	Very low	26.9	Very low	102 Å²	102	151 Å²	151	63%	0.626	78%	0.776	S	S	*	*			trans	-70.9	155	-178.9	45.2	0	0	0	0	112.5	P1050 S1054	P1050-T1052 PolarHBondContact O-N 2.79Å; T1052-S1054 PolarHBondContact O-N 2.97Å; T1052-S1054 PolarHBondContact OG1-OG 3.17Å; T1052-S1054 VanDerWaalsContact OG1-OG 3.05Å
1053	E	26.5	Very low	26.8	Very low	211 Å²	211	152.5 Å²	152.5	99%	0.986	78%	0.783	S	S	*	*	S	Bend	trans	-67.7	74.2	172.3	-65.9	179	123.2	0	0	111
1054	S	28.5	Very low	26.9	Very low	78 Å²	78	151.5 Å²	151.5	55%	0.545	79%	0.786	S	S	.	*			trans	-154.9	29	-174.6	64.8	0	0	0	0	114.6	T1052	T1052-S1054 PolarHBondContact O-N 2.97Å; T1052-S1054 PolarHBondContact OG1-OG 3.17Å; T1052-S1054 VanDerWaalsContact OG1-OG 3.05Å
1055	H	29.5	Very low	26.9	Very low	169 Å²	169	153.8 Å²	153.8	78%	0.782	80%	0.802	S	S	*	*	S	Bend	trans	-150.5	8.1	174	-117	-77.2	0	0	0	116.6
1056	F	28.4	Very low	27.2	Very low	218 Å²	218	154.3 Å²	154.3	96%	0.956	80%	0.8	S	S	*	*			trans	-99.3	35.8	-178.3	-106.9	-80	0	0	0	113.9
1057	D	26.5	Very low	27.2	Very low	170 Å²	170	152.3 Å²	152.3	91%	0.909	80%	0.8	S	S	*	*	S	Bend	trans	-133.2	44.6	-176.7	-100	-41.1	0	0	0	111.8
1058	A	27.3	Very low	27.1	Very low	81 Å²	81	151.1 Å²	151.1	67%	0.669	80%	0.797	S	S	*	*	S	Bend	trans	-151.3	14.2	-172.4	0	0	0	0	0	118.5
1059	L	26.7	Very low	27.2	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	80%	0.795	S	S	*	*	S	Bend	trans	-130.6	3.8	-178	-79.2	178.9	0	0	0	117.4
1060	Y	26.7	Very low	27	Very low	228 Å²	228	151.6 Å²	151.6	89%	0.894	80%	0.796	S	S	*	*	S	Bend	trans	-121.2	51.8	172	-89.2	-82.1	0	0	0	112.3
1061	H	26.3	Very low	27.2	Very low	184 Å²	184	157.4 Å²	157.4	85%	0.852	80%	0.802	S	S	*	*			trans	176.9	104.5	155.5	-91.9	-53.3	0	0	0	111.1
1062	T	26.2	Very low	27.2	Very low	116 Å²	116	154.6 Å²	154.6	71%	0.712	80%	0.797	S	S	*	*			trans	174.8	132.8	132.2	22.8	0	0	0	0	112.9
1063	Y	25.5	Very low	27.2	Very low	193 Å²	193	157 Å²	157	76%	0.757	80%	0.802	S	S	*	*			trans	60.1	137	171.5	-48.6	-62.5	0	0	0	115.8
1064	T	27.3	Very low	27.3	Very low	127 Å²	127	152.6 Å²	152.6	78%	0.779	79%	0.794	S	S	*	*			cis	-113.6	146.5	34.8	42	0	0	0	0	115.4
1065	N	24.5	Very low	27.3	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	80%	0.801	S	S	*	*			trans	-83.1	131.2	166.2	-66	-50.3	0	0	0	109.4
1066	H	28.9	Very low	27.2	Very low	171 Å²	171	152.3 Å²	152.3	79%	0.792	79%	0.791	S	S	*	*			trans	-131.9	145.1	151.9	-87.2	-72.4	0	0	0	109.9
1067	P	27.9	Very low	27.2	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	78%	0.782	S	S	*	*			trans	-79	151.2	-159.9	30.7	-36	0	0	0	113.3
1068	S	23.4	Very low	27.3	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	77%	0.771	S	S	*	*			trans	-60.3	145.9	169.1	40.6	0	0	0	0	112
1069	T	29.9	Very low	27.3	Very low	139 Å²	139	153.1 Å²	153.1	85%	0.853	78%	0.78	S	S	*	*			trans	-140.1	134.5	156.8	-57.8	0	0	0	0	107.5
1070	E	25.2	Very low	27.8	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	77%	0.768	S	S	*	*			trans	-82	145.6	-164.3	-54.6	165.7	126.1	0	0	112.4
1071	R	29.7	Very low	27.8	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.909	77%	0.767	S	S	*	*			trans	-153.8	97.4	137.7	-121.8	174.4	-174.9	-175.8	0.4	114.8
1072	S	28.8	Very low	27.9	Very low	106 Å²	106	141 Å²	141	74%	0.741	76%	0.759	S	S	*	*			trans	49.3	109.9	143.7	56.8	0	0	0	0	119.6
1073	E	26.9	Very low	27.9	Very low	154 Å²	154	141.4 Å²	141.4	72%	0.72	76%	0.761	S	S	*	*			trans	-64.1	157.6	163.7	-49.1	-179.2	144.7	0	0	113.8	Q1075	E1073-Q1075 PolarHBondContact OE2-NE2 3.49Å
1074	S	29.3	Very low	28	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	76%	0.762	S	S	*	*				-158	117.9	126.3	4.8	0	0	0	0	108.6
1075	Q	28.1	Very low	28	Very low	147 Å²	147	143.5 Å²	143.5	69%	0.687	76%	0.762	S	S	*	*				74.5	130.5	63.3	-72.6	-154	33.7	0	0	113.3	E1073	E1073-Q1075 PolarHBondContact OE2-NE2 3.49Å
1076	V	27.4	Very low	28	Very low	95 Å²	95	146.7 Å²	146.7	58%	0.576	76%	0.764	S	S	*	*			cis	-172.4	158.9	-3.3	89.9	0	0	0	0	112.4
1077	K	27.8	Very low	27.9	Very low	178 Å²	178	144.5 Å²	144.5	77%	0.774	76%	0.758	S	S	*	*			trans	49	153.4	154.5	-68	160.7	-158.4	165.6	0	120.8
1078	T	29.1	Very low	27.9	Very low	110 Å²	110	143.8 Å²	143.8	68%	0.675	76%	0.756	S	S	*	*			cis	157.3	139.5	-28.8	42.8	0	0	0	0	108.5
1079	K	28.3	Very low	27.9	Very low	197 Å²	197	145.5 Å²	145.5	86%	0.857	75%	0.754	S	S	*	*			trans	71.6	165.2	154.5	-70.5	177.4	-180	-177.8	0	119.1
1080	P	35.7	Very low	27.7	Very low	97 Å²	97	143.7 Å²	143.7	63%	0.63	75%	0.747	S	S	*	*			cis	-146.5	-179.6	-43.4	43.3	-26.8	0	0	0	116.3
1081	N	28.5	Very low	27.7	Very low	165 Å²	165	142 Å²	142	88%	0.882	74%	0.744	S	S	*	*			trans	68.8	153.4	155	-60	-12	0	0	0	120.9
1082	G	27	Very low	27.5	Very low	65 Å²	65	139.8 Å²	139.8	67%	0.67	74%	0.741	S	S	*	*			trans	-169.6	-65.7	172	0	0	0	0	0	122
1083	T	27.2	Very low	27.2	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	75%	0.745	S	S	*	*			trans	66.2	165.3	-178.5	30.1	0	0	0	0	121
1084	Y	26.8	Very low	27.3	Very low	195 Å²	195	140 Å²	140	77%	0.765	75%	0.746	S	S	*	*			trans	82.3	115.1	172.2	-55	-71.7	0	0	0	116.6
1085	H	26.8	Very low	27.1	Very low	169 Å²	169	141.2 Å²	141.2	78%	0.782	74%	0.743	S	S	*	*				72.5	140.4	73	-80	-16	0	0	0	113.1
1086	R	26.2	Very low	27.1	Very low	200 Å²	200	141.7 Å²	141.7	76%	0.755	75%	0.749	S	S	*	*			cis	-167.4	152.1	21	-140	-171.9	175.9	165.5	-1.6	112.7
1087	N	26.3	Very low	27.2	Very low	125 Å²	125	143 Å²	143	67%	0.668	76%	0.758	S	S	*	*			trans	58.5	172.8	158.7	-56.1	-12.5	0	0	0	117.2
1088	S	26.6	Very low	27.2	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	75%	0.751	S	S	*	*			cis	-147.4	136.9	-3	-13.9	0	0	0	0	108.4
1089	I	25.1	Very low	27.2	Very low	150 Å²	150	140.1 Å²	140.1	77%	0.769	76%	0.757	S	S	*	*				54.4	102	87.7	-52.5	166.7	0	0	0	114.7
1090	S	25.5	Very low	27.1	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	75%	0.745	S	S	*	*				164.7	124.3	113.4	51.7	0	0	0	0	116
1091	N	24.2	Very low	26.8	Very low	146 Å²	146	137 Å²	137	78%	0.781	76%	0.757	S	S	*	*			trans	51.8	164.6	132.2	-57.3	-0.5	0	0	0	124.2
1092	F	26.1	Very low	26.8	Very low	195 Å²	195	134.4 Å²	134.4	86%	0.855	75%	0.747	S	S	*	*			trans	73.3	120.2	-176.7	-63.6	-87.4	0	0	0	115
1093	Q	23.1	Very low	26.8	Very low	175 Å²	175	138.5 Å²	138.5	82%	0.818	75%	0.753	S	S	*	*			cis	89.1	97.4	22	-165.6	-175.4	-22.7	0	0	115.9
1094	A	28.3	Very low	26.8	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	75%	0.745	S	S	*	*			trans	163.6	153.6	155.8	0	0	0	0	0	106.8
1095	D	24.2	Very low	26.8	Very low	141 Å²	141	135 Å²	135	75%	0.754	75%	0.745	S	S	*	*			cis	-168.5	-166.3	-34	-116	-53.6	0	0	0	105.8
1096	I	29.6	Very low	26.7	Very low	157 Å²	157	134.2 Å²	134.2	81%	0.805	75%	0.745	S	S	*	*			trans	76.7	129.6	166.4	-52.4	168.6	0	0	0	116.3
1097	T	29.9	Very low	26.8	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	75%	0.75	S	S	*	*			cis	-152.8	163.4	-40.4	-29.1	0	0	0	0	108.4
1098	T	26.1	Very low	26.7	Very low	104 Å²	104	136.4 Å²	136.4	64%	0.638	76%	0.76	S	S	*	*			trans	-92.2	177.9	177.8	53.3	0	0	0	0	113.4	T1100	T1098-T1100 HydrophobicContact CG2-CG2 4.39Å; T1098-T1100 VanDerWaalsContact OG1-CG2 3.31Å; T1098-T1100 WeakPolarHBondContact OG1-CG2 3.31Å
1099	P	29.9	Very low	26.7	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	76%	0.758	S	S	*	*				-136.7	133.1	88.8	36.4	-23.6	0	0	0	113.6
1100	T	27.1	Very low	26.8	Very low	98 Å²	98	132.8 Å²	132.8	60%	0.601	75%	0.746	S	S	*	*				76.7	105.8	52.8	58.5	0	0	0	0	117.5	T1098	T1098-T1100 HydrophobicContact CG2-CG2 4.39Å; T1098-T1100 VanDerWaalsContact OG1-CG2 3.31Å; T1098-T1100 WeakPolarHBondContact OG1-CG2 3.31Å
1101	C	27.4	Very low	26.9	Very low	132 Å²	132	134.5 Å²	134.5	89%	0.892	75%	0.752	S	S	*	*			trans	-158.9	77.2	147.7	-100.1	0	0	0	0	106.8
1102	V	29.7	Very low	27.2	Very low	110 Å²	110	133.2 Å²	133.2	67%	0.667	75%	0.75	S	S	*	*				82.4	99.2	80.8	174.8	0	0	0	0	113.5
1103	N	26.3	Very low	27.4	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	75%	0.749	S	S	*	*			trans	57.9	152.6	143.3	-55.4	2.1	0	0	0	120.1
1104	S	27.2	Very low	28	Very low	85 Å²	85	128.4 Å²	128.4	59%	0.594	74%	0.742	S	S	*	*			cis	-153.1	164.9	4.6	-140.7	0	0	0	0	113.8
1105	E	26.7	Very low	28.9	Very low	161 Å²	161	128.1 Å²	128.1	75%	0.752	73%	0.728	S	S	*	*			trans	66	116.5	149.3	-76.2	145.3	-111	0	0	124
1106	L	24.6	Very low	29.7	Very low	153 Å²	153	125.6 Å²	125.6	80%	0.801	72%	0.721	S	S	*	*			trans	25.3	116.8	144.7	-67.3	89.6	0	0	0	120.5
1107	H	29.5	Very low	30.5	Very low	183 Å²	183	120.2 Å²	120.2	85%	0.847	69%	0.694	S	S	*	*				-161.5	151	113	-110.5	-73	0	0	0	112.2
1108	Q	23.8	Very low	31.7	Very low	188 Å²	188	119.1 Å²	119.1	88%	0.879	68%	0.68	S	S	*	*			trans	-74.4	139.6	177.9	-66.1	165.9	-26.7	0	0	112.2
1109	S	27.1	Very low	33.1	Very low	94 Å²	94	116.2 Å²	116.2	66%	0.657	67%	0.667	S	S	*	*			trans	-149.6	154.5	162.4	45.7	0	0	0	0	110.8
1110	P	27.2	Very low	34.2	Very low	78 Å²	78	113.6 Å²	113.6	51%	0.506	65%	0.646	S	S	.	*			trans	-110.6	172.4	-145.2	36.6	-27	0	0	0	115.6	P416 T1112	P416-P1110 HydrophobicContact CG-CG 3.81Å; P1110-T1112 PolarHBondContact O-N 3.15Å
1111	T	26.9	Very low	35.5	Very low	138 Å²	138	111.6 Å²	111.6	85%	0.847	63%	0.63	S	S	*	*			trans	-48	117.8	174.2	24.6	0	0	0	0	113.5	V1113	T1111-V1113 PolarHBondContact O-N 3.31Å
1112	T	29.7	Very low	37.1	Very low	119 Å²	119	109 Å²	109	73%	0.73	60%	0.604	S	S	*	*			trans	-76.4	113.6	164.8	47.3	0	0	0	0	109.6	P1110 I1114	P1110-T1112 PolarHBondContact O-N 3.15Å; T1112-I1114 PolarHBondContact O-N 2.94Å; T1112-I1114 VanDerWaalsContact O-N 3.12Å
1113	V	31.2	Very low	38.5	Very low	139 Å²	139	105.7 Å²	105.7	84%	0.842	59%	0.589	S	S	*	*			trans	-66.1	109.5	166.9	179.1	0	0	0	0	107.7	T1111 D1115	T1111-V1113 PolarHBondContact O-N 3.31Å; V1113-D1115 PolarHBondContact O-N 3.07Å
1114	I	36.2	Very low	39.7	Very low	130 Å²	130	101.4 Å²	101.4	67%	0.667	57%	0.565	S	S	*	*			trans	-75.4	119.2	171.1	-58.7	177.3	0	0	0	106.6	T1112 S1116 A1119	T1112-I1114 PolarHBondContact O-N 2.94Å; T1112-I1114 VanDerWaalsContact O-N 3.12Å; I1114-S1116 PolarHBondContact O-N 2.76Å; I1114-S1116 VanDerWaalsContact O-N 3.11Å; I1114-A1119 HydrophobicContact CG2-CB 3.97Å
1115	D	45.9	Very low	41.2	Very low	84 Å²	84	100.9 Å²	100.9	45%	0.449	56%	0.555	S	S	.	*			trans	-62.2	112	174.2	-176.6	-25	0	0	0	108.6	V1113 D1117 H1118 A1119	V1113-D1115 PolarHBondContact O-N 3.07Å; D1115-D1117 VanDerWaalsContact C-N 3.32Å; D1115-D1117 PolarHBondContact O-N 2.71Å; D1115-D1117 PolarHBondContact OD1-N 2.85Å; D1115-H1118 HydrophobicContact CB-CB 3.97Å; D1115-H1118 PolarHBondContact O-N 2.63Å; D1115-H1118 PolarHBondContact OD1-N 3.06Å; D1115-A1119 WeakPolarHBondContact O-CB 3.46Å; D1115-A1119 PolarHBondContact O-N 2.83Å
1116	S	41.7	Very low	42.8	Very low	88 Å²	88	98.5 Å²	98.5	62%	0.615	54%	0.544	S	S	*	.	H	α-helix	trans	-68.7	-29.7	-175.1	55.9	0	0	0	0	112.8	I1114 L1120	I1114-S1116 PolarHBondContact O-N 2.76Å; I1114-S1116 VanDerWaalsContact O-N 3.11Å; S1116-L1120 WeakPolarHBondContact O-CB 3.41Å; S1116-L1120 PolarHBondContact O-N 3.06Å
1117	D	45.6	Very low	43.9	Very low	44 Å²	44	93.3 Å²	93.3	24%	0.235	52%	0.519	C	S	.	.	H	α-helix	trans	-70.4	-38.8	173.3	-94.3	21.4	0	0	0	109.3	R323 L325 D1115 L1120 E1121	R323-D1117 IonicContact CZ-OD2 2.76Å; R323-D1117 IonicContact NH2-OD1 2.73Å; R323-D1117 PolarHBondContact NH2-OD1 3.24Å; R323-D1117 IonicContact NH2-OD2 3.52Å; R323-D1117 PolarHBondContact NH2-OD2 2.88Å; L325-D1117 VanDerWaalsContact CD2-OD2 3.24Å; L325-D1117 WeakPolarHBondContact CD2-OD2 3.32Å; D1115-D1117 VanDerWaalsContact C-N 3.32Å; D1115-D1117 PolarHBondContact O-N 2.71Å; D1115-D1117 PolarHBondContact OD1-N 2.85Å; D1117-L1120 PolarHBondContact O-N 2.83Å; D1117-E1121 WeakPolarHBondContact O-CB 3.35Å; D1117-E1121 WeakPolarHBondContact O-CG 3.4Å; D1117-E1121 PolarHBondContact O-N 2.82Å
1118	H	56.5	Low	44.8	Very low	100 Å²	100	86.2 Å²	86.2	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-71.5	-37	174.2	-175.6	-93.7	0	0	0	113	D1115 L1120 E1121 Q1122	D1115-H1118 HydrophobicContact CB-CB 3.97Å; D1115-H1118 PolarHBondContact O-N 2.63Å; D1115-H1118 PolarHBondContact OD1-N 3.06Å; H1118-L1120 VanDerWaalsContact C-N 3.31Å; H1118-E1121 PolarHBondContact O-N 2.82Å; H1118-Q1122 VanDerWaalsContact CE1-CG 3.41Å; H1118-Q1122 WeakPolarHBondContact CE1-CG 3.48Å; H1118-Q1122 PolarHBondContact CE1-NE2 2.87Å; H1118-Q1122 PolarHBondContact NE2-NE2 2.74Å; H1118-Q1122 WeakPolarHBondContact O-CB 3.34Å; H1118-Q1122 WeakPolarHBondContact O-CG 3.49Å; H1118-Q1122 PolarHBondContact O-N 2.9Å
1119	A	54.4	Low	46	Very low	43 Å²	43	81.3 Å²	81.3	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-38.2	173.6	0	0	0	0	0	111.3	I1114 D1115 A1123	I1114-A1119 HydrophobicContact CG2-CB 3.97Å; D1115-A1119 WeakPolarHBondContact O-CB 3.46Å; D1115-A1119 PolarHBondContact O-N 2.83Å; A1119-A1123 VanDerWaalsContact O-CB 3.28Å; A1119-A1123 WeakPolarHBondContact O-CB 3.36Å; A1119-A1123 PolarHBondContact O-N 2.73Å
1120	L	52.6	Low	46.5	Very low	68 Å²	68	80.2 Å²	80.2	36%	0.356	45%	0.452	S	S	.	.	H	α-helix	trans	-70	-41.9	173	-177.2	62.5	0	0	0	112.2	E494 S1116 D1117 H1118 Q1122 A1123 I1124	E494-L1120 HydrophobicContact CG-CD2 4.42Å; S1116-L1120 WeakPolarHBondContact O-CB 3.41Å; S1116-L1120 PolarHBondContact O-N 3.06Å; D1117-L1120 PolarHBondContact O-N 2.83Å; H1118-L1120 VanDerWaalsContact C-N 3.31Å; L1120-Q1122 VanDerWaalsContact C-N 3.34Å; L1120-Q1122 PolarHBondContact O-N 3.1Å; L1120-A1123 PolarHBondContact O-N 3.03Å; L1120-I1124 HydrophobicContact CD1-CD1 4.12Å; L1120-I1124 HydrophobicContact CD1-CG1 4.33Å; L1120-I1124 HydrophobicContact CG-CD1 3.9Å; L1120-I1124 WeakPolarHBondContact O-CB 3.38Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.47Å; L1120-I1124 PolarHBondContact O-N 2.89Å
1121	E	55.2	Low	47.5	Very low	55 Å²	55	79.3 Å²	79.3	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-38.6	174.7	-78.2	-177.6	160.1	0	0	111.7	D1117 H1118 L1125 P1132 H1133	D1117-E1121 WeakPolarHBondContact O-CB 3.35Å; D1117-E1121 WeakPolarHBondContact O-CG 3.4Å; D1117-E1121 PolarHBondContact O-N 2.82Å; H1118-E1121 PolarHBondContact O-N 2.82Å; E1121-L1125 WeakPolarHBondContact O-CB 3.4Å; E1121-L1125 PolarHBondContact O-N 2.8Å; E1121-P1132 HydrophobicContact CG-CG 4.4Å; E1121-H1133 IonicContact OE1-CE1 2.84Å
1122	Q	60.9	Low	48.3	Very low	78 Å²	78	75.1 Å²	75.1	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-66.8	-44.1	171.9	-71.4	-73.5	-28	0	0	111.9	H1118 L1120 L1125 Q1126	H1118-Q1122 VanDerWaalsContact CE1-CG 3.41Å; H1118-Q1122 WeakPolarHBondContact CE1-CG 3.48Å; H1118-Q1122 PolarHBondContact CE1-NE2 2.87Å; H1118-Q1122 PolarHBondContact NE2-NE2 2.74Å; H1118-Q1122 WeakPolarHBondContact O-CB 3.34Å; H1118-Q1122 WeakPolarHBondContact O-CG 3.49Å; H1118-Q1122 PolarHBondContact O-N 2.9Å; L1120-Q1122 VanDerWaalsContact C-N 3.34Å; L1120-Q1122 PolarHBondContact O-N 3.1Å; Q1122-L1125 PolarHBondContact O-N 3.15Å; Q1122-Q1126 WeakPolarHBondContact O-CB 3.39Å; Q1122-Q1126 VanDerWaalsContact O-CG 3.27Å; Q1122-Q1126 WeakPolarHBondContact O-CG 3.26Å; Q1122-Q1126 PolarHBondContact O-N 2.79Å
1123	A	59	Low	49	Very low	41 Å²	41	71.9 Å²	71.9	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.8	0	0	0	0	0	111.6	A1119 L1120 L1125 Q1126 T1127	A1119-A1123 VanDerWaalsContact O-CB 3.28Å; A1119-A1123 WeakPolarHBondContact O-CB 3.36Å; A1119-A1123 PolarHBondContact O-N 2.73Å; L1120-A1123 PolarHBondContact O-N 3.03Å; A1123-L1125 PolarHBondContact O-N 3.49Å; A1123-Q1126 PolarHBondContact O-N 2.86Å; A1123-T1127 VanDerWaalsContact O-CB 3.24Å; A1123-T1127 WeakPolarHBondContact O-CB 3.49Å; A1123-T1127 PolarHBondContact O-N 2.86Å; A1123-T1127 PolarHBondContact O-OG1 2.88Å; A1123-T1127 VanDerWaalsContact O-OG1 3.12Å
1124	I	52	Low	49.1	Very low	61 Å²	61	69.3 Å²	69.3	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-42.7	173.6	-68.5	164.1	0	0	0	110.3	L1120 Q1126 T1128 P1132	L1120-I1124 HydrophobicContact CD1-CD1 4.12Å; L1120-I1124 HydrophobicContact CD1-CG1 4.33Å; L1120-I1124 HydrophobicContact CG-CD1 3.9Å; L1120-I1124 WeakPolarHBondContact O-CB 3.38Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.47Å; L1120-I1124 PolarHBondContact O-N 2.89Å; I1124-Q1126 PolarHBondContact O-N 2.98Å; I1124-T1128 HydrophobicContact CG2-CG2 4.13Å; I1124-T1128 WeakPolarHBondContact O-CA 3.34Å; I1124-T1128 VanDerWaalsContact O-CB 3.25Å; I1124-T1128 WeakPolarHBondContact O-CB 3.24Å; I1124-T1128 WeakPolarHBondContact O-CG2 3.32Å; I1124-T1128 PolarHBondContact O-N 3.46Å; I1124-T1128 PolarHBondContact O-OG1 2.91Å; I1124-P1132 HydrophobicContact CG2-CB 4.02Å
1125	L	59.7	Low	49	Very low	73 Å²	73	66.8 Å²	66.8	38%	0.382	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-37.6	174.6	-99.2	148.8	0	0	0	113.2	E1121 Q1122 A1123 H1129	E1121-L1125 WeakPolarHBondContact O-CB 3.4Å; E1121-L1125 PolarHBondContact O-N 2.8Å; Q1122-L1125 PolarHBondContact O-N 3.15Å; A1123-L1125 PolarHBondContact O-N 3.49Å; L1125-H1129 VanDerWaalsContact O-CA 3.29Å; L1125-H1129 WeakPolarHBondContact O-CA 3.46Å; L1125-H1129 PolarHBondContact O-N 3.48Å; L1125-H1129 VanDerWaalsContact O-N 3.16Å
1126	Q	60.4	Low	48.2	Very low	112 Å²	112	68.7 Å²	68.7	52%	0.523	39%	0.392	S	S	.	.	H	α-helix	trans	-81.3	-36.9	-177.5	-72.7	175.5	0.8	0	0	113.6	Q1122 A1123 I1124	Q1122-Q1126 WeakPolarHBondContact O-CB 3.39Å; Q1122-Q1126 VanDerWaalsContact O-CG 3.27Å; Q1122-Q1126 WeakPolarHBondContact O-CG 3.26Å; Q1122-Q1126 PolarHBondContact O-N 2.79Å; A1123-Q1126 PolarHBondContact O-N 2.86Å; I1124-Q1126 PolarHBondContact O-N 2.98Å
1127	T	46.9	Very low	47.6	Very low	44 Å²	44	69.3 Å²	69.3	27%	0.27	39%	0.388	S	S	.	.	H	α-helix	trans	-85.1	-36.8	179.8	-59.3	0	0	0	0	111.9	I843 A1123	I843-T1127 WeakPolarHBondContact O-CG2 3.5Å; A1123-T1127 VanDerWaalsContact O-CB 3.24Å; A1123-T1127 WeakPolarHBondContact O-CB 3.49Å; A1123-T1127 PolarHBondContact O-N 2.86Å; A1123-T1127 PolarHBondContact O-OG1 2.88Å; A1123-T1127 VanDerWaalsContact O-OG1 3.12Å
1128	T	49	Very low	46.8	Very low	34 Å²	34	73.2 Å²	73.2	21%	0.209	41%	0.413	C	S	.	.	H	α-helix	trans	-100.2	-19.8	-175.7	79.5	0	0	0	0	114.2	R864 I1124 L1130	R864-T1128 PolarHBondContact NE-O 3Å; R864-T1128 PolarHBondContact NH1-O 2.86Å; R864-T1128 PolarHBondContact NH2-O 3Å; I1124-T1128 HydrophobicContact CG2-CG2 4.13Å; I1124-T1128 WeakPolarHBondContact O-CA 3.34Å; I1124-T1128 VanDerWaalsContact O-CB 3.25Å; I1124-T1128 WeakPolarHBondContact O-CB 3.24Å; I1124-T1128 WeakPolarHBondContact O-CG2 3.32Å; I1124-T1128 PolarHBondContact O-N 3.46Å; I1124-T1128 PolarHBondContact O-OG1 2.91Å; T1128-L1130 PolarHBondContact O-N 2.57Å; T1128-L1130 WeakPolarHBondContact OG1-CB 3.4Å; T1128-L1130 PolarHBondContact OG1-N 2.93Å; T1128-L1130 VanDerWaalsContact OG1-N 3.1Å; T1128-L1130 PolarHBondContact OG1-O 3.46Å
1129	H	48.6	Very low	45.4	Very low	84 Å²	84	75.1 Å²	75.1	39%	0.389	43%	0.427	S	S	.	.			trans	53.6	0	-165.6	-54.9	-93.7	0	0	0	115.3	L1125	L1125-H1129 VanDerWaalsContact O-CA 3.29Å; L1125-H1129 WeakPolarHBondContact O-CA 3.46Å; L1125-H1129 PolarHBondContact O-N 3.48Å; L1125-H1129 VanDerWaalsContact O-N 3.16Å
1130	L	38.1	Very low	44.1	Very low	72 Å²	72	79.1 Å²	79.1	38%	0.377	45%	0.447	S	S	.	.	S	Bend	trans	-79.7	131	168	-65.5	172.6	0	0	0	107.8	T1128 P1132	T1128-L1130 PolarHBondContact O-N 2.57Å; T1128-L1130 WeakPolarHBondContact OG1-CB 3.4Å; T1128-L1130 PolarHBondContact OG1-N 2.93Å; T1128-L1130 VanDerWaalsContact OG1-N 3.1Å; T1128-L1130 PolarHBondContact OG1-O 3.46Å; L1130-P1132 WeakPolarHBondContact O-CD 3Å
1131	N	47.8	Very low	42.9	Very low	59 Å²	59	83.9 Å²	83.9	32%	0.316	47%	0.472	S	S	.	.			trans	-58.1	122.1	157.8	177.7	-20.7	0	0	0	107.6	H1133 T1134	N1131-H1133 PolarHBondContact O-N 2.93Å; N1131-H1133 VanDerWaalsContact OD1-CB 3.27Å; N1131-H1133 WeakPolarHBondContact OD1-CB 3.46Å; N1131-H1133 PolarHBondContact OD1-N 2.72Å; N1131-T1134 PolarHBondContact O-N 3.46Å
1132	P	43.3	Very low	41.5	Very low	50 Å²	50	88.2 Å²	88.2	33%	0.325	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	6.6	179.9	26.1	-35.3	0	0	0	113.8	E1121 I1124 L1130	E1121-P1132 HydrophobicContact CG-CG 4.4Å; I1124-P1132 HydrophobicContact CG2-CB 4.02Å; L1130-P1132 WeakPolarHBondContact O-CD 3Å
1133	H	44.6	Very low	39.9	Very low	51 Å²	51	89.6 Å²	89.6	24%	0.236	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	6.4	172.8	-51.3	-18.3	0	0	0	113.3	T350 R354 E1121 N1131	T350-H1133 HydrophobicContact CG2-CB 3.59Å; R354-H1133 VanDerWaalsContact CZ-O 3.27Å; R354-H1133 PolarHBondContact NE-O 3.42Å; R354-H1133 PolarHBondContact NH2-O 3.43Å; E1121-H1133 IonicContact OE1-CE1 2.84Å; N1131-H1133 PolarHBondContact O-N 2.93Å; N1131-H1133 VanDerWaalsContact OD1-CB 3.27Å; N1131-H1133 WeakPolarHBondContact OD1-CB 3.46Å; N1131-H1133 PolarHBondContact OD1-N 2.72Å
1134	T	33.8	Very low	38.4	Very low	84 Å²	84	95.1 Å²	95.1	52%	0.515	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-101.5	119.2	173.4	-58	0	0	0	0	110.4	N1131	N1131-T1134 PolarHBondContact O-N 3.46Å
1135	A	32.6	Very low	37.3	Very low	77 Å²	77	98.8 Å²	98.8	64%	0.636	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-103.3	129.4	176.3	0	0	0	0	0	110.5
1136	V	30.2	Very low	35.9	Very low	124 Å²	124	99.9 Å²	99.9	75%	0.752	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-79.2	139.4	170.4	179.5	0	0	0	0	109.1
1137	L	28.3	Very low	34.4	Very low	101 Å²	101	102 Å²	102	53%	0.529	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-103.2	119.1	172.5	-80.9	166.4	0	0	0	109.3	T356	T356-L1137 HydrophobicContact CG2-CD2 4.04Å
1138	T	30	Very low	33.8	Very low	126 Å²	126	102.8 Å²	102.8	77%	0.773	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-89.1	118.9	161.9	42.8	0	0	0	0	108.8
1139	N	25.9	Very low	32.9	Very low	140 Å²	140	107.2 Å²	107.2	75%	0.749	60%	0.6	S	S	*	*			trans	-88.4	106.4	-178.7	-71.5	-18.8	0	0	0	110.6
1140	T	27.6	Very low	32.3	Very low	127 Å²	127	110 Å²	110	78%	0.779	62%	0.618	S	S	*	*			trans	-146.1	68.6	166.3	55.5	0	0	0	0	110.7
1141	L	27.1	Very low	31.9	Very low	168 Å²	168	112.8 Å²	112.8	88%	0.88	63%	0.633	S	S	*	*			trans	-169.8	63.5	167.6	-112.2	163.7	0	0	0	111.7
1142	D	25.6	Very low	31.2	Very low	146 Å²	146	116.6 Å²	116.6	78%	0.781	65%	0.653	S	S	*	*			trans	-94.9	163.3	159.3	-84.4	-60.1	0	0	0	109.8
1143	V	27	Very low	30.6	Very low	107 Å²	107	119.4 Å²	119.4	65%	0.648	67%	0.67	S	S	*	*			trans	62.2	127.4	-174.2	-126.6	0	0	0	0	113.2
1144	Y	28.5	Very low	29.9	Very low	158 Å²	158	124.7 Å²	124.7	62%	0.62	70%	0.697	S	S	*	*			cis	-135.6	135.8	25	-69.6	-95.4	0	0	0	113.6	F1044	F1044-Y1144 HydrophobicContact CD1-CD1 4.2Å; F1044-Y1144 HydrophobicContact CD1-CE1 4.14Å; F1044-Y1144 HydrophobicContact CD2-CD1 4.46Å; F1044-Y1144 AromaticContact CE1-CD1 3.66Å; F1044-Y1144 HydrophobicContact CE1-CD1 3.66Å; F1044-Y1144 AromaticContact CE1-CE1 3.22Å; F1044-Y1144 HydrophobicContact CE1-CE1 3.22Å; F1044-Y1144 HydrophobicContact CE1-CE2 4.25Å; F1044-Y1144 HydrophobicContact CE1-CG 4.37Å; F1044-Y1144 AromaticContact CE1-CZ 3.55Å; F1044-Y1144 AromaticContact CE2-CD1 3.91Å; F1044-Y1144 HydrophobicContact CE2-CD1 3.91Å; F1044-Y1144 HydrophobicContact CE2-CE1 4.02Å; F1044-Y1144 AromaticContact CZ-CD1 3.5Å; F1044-Y1144 HydrophobicContact CZ-CD1 3.5Å; F1044-Y1144 AromaticContact CZ-CE1 3.15Å; F1044-Y1144 HydrophobicContact CZ-CE1 3.15Å; F1044-Y1144 AromaticContact CZ-CZ 3.96Å
1145	T	28.2	Very low	29.8	Very low	137 Å²	137	127.6 Å²	127.6	84%	0.84	71%	0.709	S	S	*	*			trans	-99.6	98.1	158.3	50.5	0	0	0	0	109.7	N1147	T1145-N1147 PolarHBondContact O-N 3.45Å; T1145-N1147 VanDerWaalsContact O-N 3.08Å
1146	N	30.4	Very low	29.7	Very low	96 Å²	96	127.5 Å²	127.5	51%	0.513	72%	0.716	S	S	.	*			trans	-66.5	106.7	170.4	-91.8	-9.6	0	0	0	110	F1044	F1044-N1146 WeakPolarHBondContact CD2-OD1 3.3Å
1147	N	29.2	Very low	29.9	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	72%	0.719	S	S	*	*			trans	-122.9	109.6	170	-160.9	21.9	0	0	0	107.9	T1145	T1145-N1147 PolarHBondContact O-N 3.45Å; T1145-N1147 VanDerWaalsContact O-N 3.08Å
1148	S	33.9	Very low	30.3	Very low	62 Å²	62	132.8 Å²	132.8	43%	0.434	73%	0.726	S	S	.	*			trans	-116.4	115	-162.1	-46.2	0	0	0	0	111	R1042	R1042-S1148 VanDerWaalsContact NH1-CB 3.28Å
1149	N	31.3	Very low	30.6	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	72%	0.721	S	S	*	*			trans	-44.1	153.4	-172.4	-63	-26.2	0	0	0	115.6	R1042	R1042-N1149 PolarHBondContact NH2-O 3.39Å
1150	N	34.3	Very low	31.3	Very low	143 Å²	143	132.6 Å²	132.6	77%	0.765	72%	0.721	S	S	*	*				-160.7	145	113.4	-101	-3.3	0	0	0	113.2
1151	N	31.2	Very low	31.8	Very low	130 Å²	130	140 Å²	140	70%	0.695	74%	0.742	S	S	*	*			trans	-48.6	151.8	173.6	-47.4	-38.1	0	0	0	111.2
1152	N	32.6	Very low	32	Very low	139 Å²	139	138.6 Å²	138.6	74%	0.743	74%	0.735	S	S	*	*				-169.5	150.1	65	-110.3	-35.5	0	0	0	115.1
1153	T	29.7	Very low	32.4	Very low	109 Å²	109	138.2 Å²	138.2	67%	0.669	73%	0.733	S	S	*	*			trans	23.5	133.6	146.3	58.5	0	0	0	0	123.4
1154	M	29.8	Very low	32.7	Very low	162 Å²	162	139.9 Å²	139.9	80%	0.798	74%	0.737	S	S	*	*			trans	80.4	128.6	137.8	-76	-170.4	-167.4	0	0	122.5
1155	N	31.9	Very low	32.9	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	74%	0.744	S	S	*	*			trans	62.7	83.2	133.5	-58.1	-18.8	0	0	0	121
1156	G	31.3	Very low	33.2	Very low	76 Å²	76	139 Å²	139	78%	0.784	74%	0.738	S	S	*	*				99.9	156.3	94.3	0	0	0	0	0	121.2
1157	K	34.5	Very low	33.4	Very low	188 Å²	188	141.9 Å²	141.9	82%	0.817	75%	0.753	S	S	*	*			trans	69.7	106.2	160.3	-67.7	-174.2	174.5	178.1	0	120.4
1158	H	36.9	Very low	33.7	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	75%	0.748	S	S	*	*				75.1	130.6	123.4	-77.4	-59.5	0	0	0	122.2
1159	N	36.7	Very low	33.7	Very low	122 Å²	122	146.9 Å²	146.9	65%	0.652	77%	0.772	S	S	*	*				64	135.5	128.2	-61.5	15.7	0	0	0	118.3
1160	N	38.8	Very low	33.9	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	78%	0.78	S	S	*	*			cis	-161.2	123.7	23	-95.1	-36.7	0	0	0	110.8
1161	K	38.7	Very low	33.8	Very low	282 Å²	282	149.2 Å²	149.2	100%	1.226	78%	0.781	S	S	*	*				168.6	0	122.4	-97	-177.1	175.2	-178.7	0	112.2

Retrieved 1,161 of 1,161 residues in 1366.6 ms (Link to these results)

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