A0A3P9NG37_POERE Loading...

Poly [ADP-ribose] polymerase

Mono-ADP-ribosyltransferase that mediates mono-ADP-ribosylation of target proteins.

AlphaFold DB , UniProt , Accession A0A3P9NG37, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 642 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	28.2	Very low	225 Å²	225	156.7 Å²	156.7	100%	1.108	81%	0.805	S	S	*	*				0	65.3	0	-60	-179.7	-176	0	0	107.1
2	D	31.3	Very low	28	Very low	139 Å²	139	158.5 Å²	158.5	74%	0.743	81%	0.808	S	S	*	*				65.7	127.1	61.1	-55.5	-46.4	0	0	0	112.3
3	I	31.3	Very low	28.1	Very low	152 Å²	152	155.6 Å²	155.6	78%	0.779	81%	0.81	S	S	*	*			cis	-153.7	166	-11	-122.5	157.8	0	0	0	108.6
4	K	28.5	Very low	28.1	Very low	198 Å²	198	156.2 Å²	156.2	86%	0.861	82%	0.815	S	S	*	*			trans	-47	160.8	172.9	-56.5	164.2	178.6	177.4	0	113.6
5	G	27.7	Very low	28.2	Very low	71 Å²	71	151.1 Å²	151.1	73%	0.732	82%	0.815	S	S	*	*			cis	144.4	150.4	-1.2	0	0	0	0	0	113.3
6	Q	27.4	Very low	28.2	Very low	188 Å²	188	153.9 Å²	153.9	88%	0.879	82%	0.822	S	S	*	*			trans	69.8	109.8	156.9	-71.6	173.9	-35.3	0	0	122.5
7	C	25	Very low	28.2	Very low	104 Å²	104	154.3 Å²	154.3	70%	0.703	82%	0.824	S	S	*	*			trans	-40.7	150.6	147.2	170.2	0	0	0	0	116
8	W	25	Very low	28.3	Very low	236 Å²	236	155.7 Å²	155.7	89%	0.894	82%	0.824	S	S	*	*			trans	-140.6	138.1	146.6	-79.3	81	0	0	0	111.5
9	T	25.5	Very low	28.4	Very low	99 Å²	99	153.7 Å²	153.7	61%	0.607	83%	0.825	S	S	*	*			trans	-87.4	174.9	163.6	37.4	0	0	0	0	110.3
10	D	27.6	Very low	28.5	Very low	139 Å²	139	154.4 Å²	154.4	74%	0.743	82%	0.823	S	S	*	*			cis	-161.6	178.4	-10	-99.4	-30	0	0	0	107.5
11	E	28.1	Very low	28.8	Very low	173 Å²	173	154.1 Å²	154.1	81%	0.808	82%	0.817	S	S	*	*			trans	91.5	132.7	152	-53.3	-145.9	137.5	0	0	124.4
12	E	26.3	Very low	28.7	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	80%	0.804	S	S	*	*			trans	54	129.3	146.5	-66.3	-172.8	160.2	0	0	125.1
13	S	28.8	Very low	28.7	Very low	121 Å²	121	153.8 Å²	153.8	85%	0.846	81%	0.809	S	S	*	*				-179.3	152.3	119.1	-171.1	0	0	0	0	112.9
14	D	27.6	Very low	28.9	Very low	164 Å²	164	158.5 Å²	158.5	88%	0.877	82%	0.819	S	S	*	*			trans	-74.9	166.4	-168.7	-65	-58.1	0	0	0	117.8
15	G	30.5	Very low	29.4	Very low	79 Å²	79	151.2 Å²	151.2	81%	0.814	80%	0.801	S	S	*	*			trans	-173.7	86.6	165.7	0	0	0	0	0	113.8
16	E	27.9	Very low	29.8	Very low	197 Å²	197	156 Å²	156	92%	0.921	81%	0.807	S	S	*	*			trans	-68.8	143.6	174.6	-59.4	178	142	0	0	112.6
17	N	28.9	Very low	29.9	Very low	160 Å²	160	154.9 Å²	154.9	86%	0.856	80%	0.802	S	S	*	*			trans	-159.8	133.3	138	-157.9	16.1	0	0	0	111.6
18	E	29.7	Very low	30.2	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	81%	0.812	S	S	*	*			trans	-83	144	176.2	-65.3	-167.8	148.1	0	0	112.4
19	S	30.5	Very low	30.7	Very low	119 Å²	119	151.3 Å²	151.3	83%	0.832	81%	0.811	S	S	*	*			trans	-170.6	105	136.2	15.8	0	0	0	0	110.4
20	E	30.5	Very low	31.1	Very low	167 Å²	167	153.6 Å²	153.6	78%	0.78	82%	0.819	S	S	*	*			trans	-71.4	158.3	165	-95.5	-155.4	173.3	0	0	112.3
21	Q	33.2	Very low	31.5	Very low	149 Å²	149	155.1 Å²	155.1	70%	0.696	83%	0.826	S	S	*	*			trans	85	134.2	153	-74.7	165.3	45.8	0	0	120.5
22	F	30.7	Very low	31.6	Very low	191 Å²	191	156.5 Å²	156.5	84%	0.838	83%	0.833	S	S	*	*	S	Bend	trans	68.1	80.8	172.8	-65.9	-80.3	0	0	0	118.7
23	L	32.1	Very low	31.8	Very low	165 Å²	165	151.5 Å²	151.5	86%	0.864	83%	0.829	S	S	*	*				-175.8	71.4	114.7	-96	162.2	0	0	0	111.3	G25	L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 2.96Å
24	Y	36.5	Very low	32.2	Very low	252 Å²	252	151.4 Å²	151.4	99%	0.988	83%	0.828	S	S	*	*			trans	-80.6	81.7	173.7	-139.8	-89	0	0	0	110.2
25	G	37.3	Very low	32.5	Very low	45 Å²	45	149.9 Å²	149.9	46%	0.464	83%	0.829	S	S	.	*	S	Bend	trans	154	129.8	177.3	0	0	0	0	0	112.4	L23	L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 2.96Å
26	I	37.4	Very low	32.8	Very low	170 Å²	170	150.2 Å²	150.2	87%	0.872	82%	0.824	S	S	*	*	S	Bend	trans	73.1	55	173.6	-35.9	169.6	0	0	0	115.2
27	Q	29.3	Very low	33.7	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	82%	0.816	S	S	*	*			trans	-159.7	44.5	156.9	-156.6	66.3	21.9	0	0	115
28	C	31.3	Very low	35	Very low	134 Å²	134	143.1 Å²	143.1	91%	0.905	81%	0.805	S	S	*	*			trans	-126.4	32.6	176.7	-70.4	0	0	0	0	114.9
29	C	34.1	Very low	36.6	Very low	130 Å²	130	137.9 Å²	137.9	88%	0.878	78%	0.782	S	S	*	*	S	Bend	trans	-108.4	5.7	173.2	-67	0	0	0	0	114.4
30	L	35.8	Very low	38.9	Very low	147 Å²	147	140.8 Å²	140.8	77%	0.77	78%	0.776	S	S	*	*	S	Bend	trans	-143.6	85.9	179.4	-71	174.5	0	0	0	110.7
31	L	34.6	Very low	41.6	Very low	171 Å²	171	136.5 Å²	136.5	90%	0.895	75%	0.753	S	S	*	*	S	Bend	trans	159.2	77.8	145.5	-87.3	160.7	0	0	0	112.1
32	Q	31.3	Very low	44.4	Very low	203 Å²	203	131.7 Å²	131.7	95%	0.949	73%	0.73	S	S	*	*			trans	177.7	144.4	134.5	-99.1	168.1	-3.4	0	0	109.5
33	G	29.3	Very low	47.3	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	72%	0.721	S	S	*	*			trans	-94	147.1	-170.6	0	0	0	0	0	113.7
34	S	37.1	Very low	50.2	Low	120 Å²	120	120.1 Å²	120.1	84%	0.839	68%	0.683	S	S	*	*			trans	58.7	80.5	158.3	-175.4	0	0	0	0	117.6
35	C	35	Very low	52.9	Low	132 Å²	132	108.1 Å²	108.1	89%	0.892	64%	0.636	S	S	*	*	S	Bend	trans	-137.3	164.7	137.7	-86.8	0	0	0	0	107.8
36	A	36.6	Very low	55.5	Low	85 Å²	85	108.8 Å²	108.8	70%	0.702	63%	0.629	S	S	*	*			trans	-52.9	148.1	-164.6	0	0	0	0	0	114.5	D38	A36-D38 PolarHBondContact O-N 3.39Å
37	A	46.3	Very low	58.1	Low	92 Å²	92	102.7 Å²	102.7	76%	0.76	60%	0.604	S	S	*	*			trans	-68.9	102.9	165.2	0	0	0	0	0	108.3	L39	A37-L39 PolarHBondContact O-N 3.34Å
38	D	55.4	Low	61.2	Low	116 Å²	116	94.9 Å²	94.9	62%	0.62	57%	0.567	S	S	*	*			trans	-59	111.3	174.3	-72.2	-38	0	0	0	109.1	A36 Y40	A36-D38 PolarHBondContact O-N 3.39Å; D38-Y40 HydrophobicContact CB-CD2 4.31Å; D38-Y40 HydrophobicContact CB-CE2 3.7Å; D38-Y40 WeakPolarHBondContact O-CD2 3.32Å; D38-Y40 PolarHBondContact O-N 2.89Å
39	L	64.3	Low	64.2	Low	69 Å²	69	88.7 Å²	88.7	36%	0.361	53%	0.525	S	S	.	.			trans	-76.9	90.7	179.1	-71.6	164.2	0	0	0	108.9	A37 D70 L107	A37-L39 PolarHBondContact O-N 3.34Å; L39-D70 HydrophobicContact CD1-CB 4.11Å; L39-D70 HydrophobicContact CD2-CB 4.21Å; L39-L107 HydrophobicContact CB-CD2 4.03Å; L39-L107 WeakPolarHBondContact O-CD2 3.43Å
40	Y	79.5	Confident	67.1	Low	181 Å²	181	86.8 Å²	86.8	71%	0.71	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-70.4	135.7	175	-67.7	-81.5	0	0	0	111.3	D38	D38-Y40 HydrophobicContact CB-CD2 4.31Å; D38-Y40 HydrophobicContact CB-CE2 3.7Å; D38-Y40 WeakPolarHBondContact O-CD2 3.32Å; D38-Y40 PolarHBondContact O-N 2.89Å
41	R	86.8	Confident	69.8	Low	76 Å²	76	80.6 Å²	80.6	29%	0.287	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-59.7	135.8	172.8	-166.1	-171.3	-59.3	147.5	6.7	110.5	L45 D46 E65 L107	R41-L45 HydrophobicContact CG-CB 4.39Å; R41-L45 HydrophobicContact CG-CD2 3.79Å; R41-L45 HydrophobicContact CG-CG 4.19Å; R41-D46 VanDerWaalsContact CD-OD1 3.25Å; R41-D46 WeakPolarHBondContact CD-OD1 3.12Å; R41-D46 IonicContact CZ-OD1 3.19Å; R41-D46 IonicContact NE-OD1 3.29Å; R41-D46 IonicContact NH1-OD1 2.8Å; R41-D46 PolarHBondContact NH1-OD1 3.37Å; R41-E65 IonicContact CZ-OE1 2.67Å; R41-E65 IonicContact NE-OE1 3.86Å; R41-E65 PolarHBondContact NE-OE1 2.89Å; R41-E65 IonicContact NH2-OE1 2.71Å; R41-E65 PolarHBondContact NH2-OE1 3.08Å; R41-E65 IonicContact NH2-OE2 3.66Å; R41-E65 PolarHBondContact NH2-OE2 3.01Å; R41-L107 HydrophobicContact CB-CD1 3.83Å; R41-L107 HydrophobicContact CG-CD1 3.75Å
42	H	92.1	Very high	72.7	Confident	49 Å²	49	72.5 Å²	72.5	23%	0.227	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-66.4	131.4	-180	-169.8	-101	0	0	0	112.1	Q44 L45 D46 L107 S108 N152	H42-Q44 WeakPolarHBondContact ND1-CB 3.36Å; H42-Q44 PolarHBondContact ND1-N 3.46Å; H42-Q44 PolarHBondContact O-N 3.25Å; H42-Q44 VanDerWaalsContact O-N 3.08Å; H42-L45 WeakPolarHBondContact O-CA 3.23Å; H42-L45 VanDerWaalsContact O-CB 3.31Å; H42-L45 WeakPolarHBondContact O-CB 3.45Å; H42-L45 PolarHBondContact O-N 3.03Å; H42-D46 PolarHBondContact O-N 3.45Å; H42-L107 PolarHBondContact N-O 3.27Å; H42-S108 WeakPolarHBondContact CB-O 3.1Å; H42-S108 PolarHBondContact CD2-O 3.46Å; H42-N152 PolarHBondContact CE1-OD1 3.33Å; H42-N152 PolarHBondContact ND1-OD1 2.86Å
43	P	91.1	Very high	75.7	Confident	98 Å²	98	65.8 Å²	65.8	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-60	-26.5	-174.8	-27.8	35.4	0	0	0	115.8	L45 D46 A47	P43-L45 VanDerWaalsContact C-N 3.32Å; P43-D46 PolarHBondContact O-N 2.98Å; P43-A47 PolarHBondContact O-N 2.84Å; P43-A47 VanDerWaalsContact O-N 3.11Å
44	Q	92.4	Very high	78.7	Confident	14 Å²	14	68.8 Å²	68.8	7%	0.065	40%	0.398	C	S	.	.	H	α-helix	trans	-69.4	-31.1	173.8	-174.2	63	56.6	0	0	111.9	H42 A47 D48 Y110	H42-Q44 WeakPolarHBondContact ND1-CB 3.36Å; H42-Q44 PolarHBondContact ND1-N 3.46Å; H42-Q44 PolarHBondContact O-N 3.25Å; H42-Q44 VanDerWaalsContact O-N 3.08Å; Q44-A47 PolarHBondContact O-N 3.31Å; Q44-D48 PolarHBondContact NE2-OD1 3.26Å; Q44-D48 WeakPolarHBondContact O-CB 3.44Å; Q44-D48 PolarHBondContact O-N 3.2Å; Q44-Y110 HydrophobicContact CB-CD1 4.09Å; Q44-Y110 HydrophobicContact CB-CE1 4.47Å; Q44-Y110 HydrophobicContact CG-CD1 4.08Å; Q44-Y110 HydrophobicContact CG-CE1 4.04Å
45	L	93.3	Very high	81.3	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.6	-40.5	175	174.5	56.2	0	0	0	110.5	R41 H42 P43 D48 I49 V72 I74 Y110 L279	R41-L45 HydrophobicContact CG-CB 4.39Å; R41-L45 HydrophobicContact CG-CD2 3.79Å; R41-L45 HydrophobicContact CG-CG 4.19Å; H42-L45 WeakPolarHBondContact O-CA 3.23Å; H42-L45 VanDerWaalsContact O-CB 3.31Å; H42-L45 WeakPolarHBondContact O-CB 3.45Å; H42-L45 PolarHBondContact O-N 3.03Å; P43-L45 VanDerWaalsContact C-N 3.32Å; L45-D48 PolarHBondContact O-N 3.01Å; L45-I49 HydrophobicContact CD1-CD1 3.82Å; L45-I49 HydrophobicContact CD1-CG1 4.02Å; L45-I49 HydrophobicContact CG-CD1 3.76Å; L45-I49 HydrophobicContact CG-CG1 4.44Å; L45-I49 WeakPolarHBondContact O-CB 3.2Å; L45-I49 WeakPolarHBondContact O-CD1 3.47Å; L45-I49 WeakPolarHBondContact O-CG1 3.37Å; L45-I49 PolarHBondContact O-N 2.72Å; L45-V72 HydrophobicContact CD2-CG1 3.76Å; L45-I74 HydrophobicContact CD1-CD1 4.07Å; L45-I74 HydrophobicContact CD1-CG1 4.22Å; L45-Y110 HydrophobicContact CB-CD1 3.83Å; L45-Y110 HydrophobicContact CB-CD2 4Å; L45-Y110 HydrophobicContact CB-CE1 4.2Å; L45-Y110 HydrophobicContact CB-CE2 4.38Å; L45-Y110 HydrophobicContact CB-CG 3.74Å; L45-Y110 HydrophobicContact CD1-CD2 3.87Å; L45-Y110 HydrophobicContact CD1-CE2 3.61Å; L45-Y110 HydrophobicContact CD1-CG 4.47Å; L45-Y110 HydrophobicContact CD2-CD2 4.3Å; L45-Y110 HydrophobicContact CG-CD2 4.27Å; L45-Y110 HydrophobicContact CG-CE2 4.46Å; L45-Y110 HydrophobicContact CG-CG 4.49Å; L45-L279 HydrophobicContact CD1-CD1 4.21Å
46	D	92.6	Very high	83.9	Confident	60 Å²	60	62.6 Å²	62.6	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-43.5	172.3	-76.4	-52.7	0	0	0	112.3	R41 H42 P43 D48 I49 E50	R41-D46 VanDerWaalsContact CD-OD1 3.25Å; R41-D46 WeakPolarHBondContact CD-OD1 3.12Å; R41-D46 IonicContact CZ-OD1 3.19Å; R41-D46 IonicContact NE-OD1 3.29Å; R41-D46 IonicContact NH1-OD1 2.8Å; R41-D46 PolarHBondContact NH1-OD1 3.37Å; H42-D46 PolarHBondContact O-N 3.45Å; P43-D46 PolarHBondContact O-N 2.98Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 3.11Å; D46-I49 PolarHBondContact O-N 3.25Å; D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 PolarHBondContact O-N 2.98Å
47	A	92.1	Very high	86.5	Confident	42 Å²	42	61.9 Å²	61.9	35%	0.347	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-40.1	176.4	0	0	0	0	0	112.6	P43 Q44 A51	P43-A47 PolarHBondContact O-N 2.84Å; P43-A47 VanDerWaalsContact O-N 3.11Å; Q44-A47 PolarHBondContact O-N 3.31Å; A47-A51 VanDerWaalsContact O-CB 3.3Å; A47-A51 WeakPolarHBondContact O-CB 3.34Å; A47-A51 PolarHBondContact O-N 2.93Å
48	D	94.5	Very high	88.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-37.2	175.7	-94.8	59.2	0	0	0	112.5	Q44 L45 D46 V52 Y110 G277 F278 L279	Q44-D48 PolarHBondContact NE2-OD1 3.26Å; Q44-D48 WeakPolarHBondContact O-CB 3.44Å; Q44-D48 PolarHBondContact O-N 3.2Å; L45-D48 PolarHBondContact O-N 3.01Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 3.11Å; D48-V52 WeakPolarHBondContact O-CG2 3.3Å; D48-V52 PolarHBondContact O-N 3.2Å; D48-Y110 HydrophobicContact CB-CE1 4.34Å; D48-Y110 PolarHBondContact OD2-OH 3.15Å; D48-Y110 VanDerWaalsContact OD2-OH 3.09Å; D48-G277 WeakPolarHBondContact OD1-CA 3.5Å; D48-G277 VanDerWaalsContact OD2-C 3.23Å; D48-G277 WeakPolarHBondContact OD2-CA 3.24Å; D48-F278 PolarHBondContact OD2-N 2.73Å; D48-L279 HydrophobicContact CB-CB 4.41Å; D48-L279 HydrophobicContact CB-CD1 3.99Å; D48-L279 HydrophobicContact CB-CG 4.03Å; D48-L279 PolarHBondContact OD2-N 3.06Å; D48-L279 VanDerWaalsContact OD2-N 3.13Å
49	I	94.4	Very high	90.3	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-48.5	173.9	-75	160.8	0	0	0	110.2	L45 D46 V52 K53 I61 V63 I74 L279	L45-I49 HydrophobicContact CD1-CD1 3.82Å; L45-I49 HydrophobicContact CD1-CG1 4.02Å; L45-I49 HydrophobicContact CG-CD1 3.76Å; L45-I49 HydrophobicContact CG-CG1 4.44Å; L45-I49 WeakPolarHBondContact O-CB 3.2Å; L45-I49 WeakPolarHBondContact O-CD1 3.47Å; L45-I49 WeakPolarHBondContact O-CG1 3.37Å; L45-I49 PolarHBondContact O-N 2.72Å; D46-I49 PolarHBondContact O-N 3.25Å; I49-V52 WeakPolarHBondContact O-CB 3.43Å; I49-V52 PolarHBondContact O-N 2.9Å; I49-V52 VanDerWaalsContact O-N 3.15Å; I49-K53 PolarHBondContact O-N 3.02Å; I49-I61 HydrophobicContact CB-CD1 4.23Å; I49-I61 HydrophobicContact CG1-CD1 3.91Å; I49-I61 HydrophobicContact CG2-CD1 4.2Å; I49-V63 HydrophobicContact CD1-CG2 3.9Å; I49-V63 HydrophobicContact CG1-CG2 4.33Å; I49-I74 HydrophobicContact CD1-CD1 4.06Å; I49-I74 HydrophobicContact CG1-CD1 4.33Å; I49-L279 HydrophobicContact CG1-CD1 4.02Å
50	E	94.4	Very high	91.6	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-39.7	-178.4	-155.3	64.9	-167	0	0	111.4	D46 V52 K53 D54	D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 PolarHBondContact O-N 2.98Å; E50-V52 PolarHBondContact O-N 3.32Å; E50-K53 PolarHBondContact O-N 3.04Å; E50-K53 IonicContact OE1-NZ 3.12Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 WeakPolarHBondContact OE2-CE 3.16Å; E50-K53 IonicContact OE2-NZ 3.95Å; E50-K53 PolarHBondContact OE2-NZ 2.89Å; E50-D54 PolarHBondContact O-N 3.48Å
51	A	93.6	Very high	92.4	Very high	17 Å²	17	51.3 Å²	51.3	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-29.1	173.2	0	0	0	0	0	113.7	A47 I55 Y276 V280	A47-A51 VanDerWaalsContact O-CB 3.3Å; A47-A51 WeakPolarHBondContact O-CB 3.34Å; A47-A51 PolarHBondContact O-N 2.93Å; A51-I55 WeakPolarHBondContact O-CB 3.4Å; A51-I55 VanDerWaalsContact O-CD1 3.31Å; A51-I55 WeakPolarHBondContact O-CD1 3.49Å; A51-I55 VanDerWaalsContact O-CG1 3.25Å; A51-I55 WeakPolarHBondContact O-CG1 3.38Å; A51-I55 PolarHBondContact O-N 3.08Å; A51-Y276 WeakPolarHBondContact CB-O 3.48Å; A51-V280 HydrophobicContact CB-CG2 4.04Å
52	V	94.1	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.5	-43.5	171.3	174.2	0	0	0	0	111.1	D48 I49 E50 I55 Y56 A60 I61 L76 L279 V280 M283	D48-V52 WeakPolarHBondContact O-CG2 3.3Å; D48-V52 PolarHBondContact O-N 3.2Å; I49-V52 WeakPolarHBondContact O-CB 3.43Å; I49-V52 PolarHBondContact O-N 2.9Å; I49-V52 VanDerWaalsContact O-N 3.15Å; E50-V52 PolarHBondContact O-N 3.32Å; V52-I55 PolarHBondContact O-N 2.77Å; V52-Y56 HydrophobicContact CG1-CD2 4.19Å; V52-Y56 WeakPolarHBondContact O-CB 3.3Å; V52-Y56 WeakPolarHBondContact O-CD2 3.41Å; V52-Y56 PolarHBondContact O-N 2.79Å; V52-A60 HydrophobicContact CG1-CB 4.28Å; V52-I61 HydrophobicContact CB-CD1 4.17Å; V52-I61 HydrophobicContact CG1-CB 3.93Å; V52-I61 HydrophobicContact CG1-CD1 4.31Å; V52-I61 HydrophobicContact CG1-CG2 4.19Å; V52-I61 HydrophobicContact CG2-CD1 4.35Å; V52-L76 HydrophobicContact CG1-CD2 4.13Å; V52-L76 HydrophobicContact CG2-CD2 4.18Å; V52-L279 HydrophobicContact CG2-CB 3.65Å; V52-V280 HydrophobicContact CB-CG2 4.46Å; V52-V280 HydrophobicContact CG2-CG2 3.66Å; V52-M283 HydrophobicContact CG1-SD 4.04Å
53	K	94.2	Very high	93	Very high	62 Å²	62	49.7 Å²	49.7	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-46.5	178.2	-58.1	179.4	-163.1	157.1	0	112	I49 E50 I55 Y56 T57 I61	I49-K53 PolarHBondContact O-N 3.02Å; E50-K53 PolarHBondContact O-N 3.04Å; E50-K53 IonicContact OE1-NZ 3.12Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 WeakPolarHBondContact OE2-CE 3.16Å; E50-K53 IonicContact OE2-NZ 3.95Å; E50-K53 PolarHBondContact OE2-NZ 2.89Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 PolarHBondContact O-N 3.4Å; K53-Y56 CarbonylContact O-C 3.21Å; K53-T57 WeakPolarHBondContact O-CA 3.31Å; K53-T57 PolarHBondContact O-N 3.49Å; K53-I61 HydrophobicContact CG-CG2 3.84Å
54	D	93.1	Very high	93.1	Very high	135 Å²	135	48.6 Å²	48.6	72%	0.722	27%	0.267	S	S	*	.	H	α-helix	trans	-59	-37.2	179.9	-89	-15.4	0	0	0	113.2	E50	E50-D54 PolarHBondContact O-N 3.48Å
55	I	91.9	Very high	93	Very high	63 Å²	63	52.1 Å²	52.1	32%	0.323	28%	0.283	S	S	.	.	H	α-helix	trans	-90.4	-32	-174.3	-67.4	172	0	0	0	112	A51 V52 K53 Y276 V280	A51-I55 WeakPolarHBondContact O-CB 3.4Å; A51-I55 VanDerWaalsContact O-CD1 3.31Å; A51-I55 WeakPolarHBondContact O-CD1 3.49Å; A51-I55 VanDerWaalsContact O-CG1 3.25Å; A51-I55 WeakPolarHBondContact O-CG1 3.38Å; A51-I55 PolarHBondContact O-N 3.08Å; V52-I55 PolarHBondContact O-N 2.77Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 PolarHBondContact O-N 3.4Å; I55-Y276 HydrophobicContact CD1-CD1 3.53Å; I55-Y276 HydrophobicContact CD1-CD2 4.12Å; I55-Y276 HydrophobicContact CD1-CE1 4.18Å; I55-Y276 HydrophobicContact CD1-CG 3.49Å; I55-Y276 VanDerWaalsContact CD1-CG 3.49Å; I55-V280 HydrophobicContact CD1-CG1 3.76Å; I55-V280 HydrophobicContact CD1-CG2 4Å
56	Y	89.9	Confident	92.6	Very high	59 Å²	59	56.6 Å²	56.6	23%	0.231	30%	0.3	C	S	.	.	S	Bend	trans	-111.8	-93.6	-177	-63.4	-83.9	0	0	0	110.3	V52 K53 A60 V280 M283 K284 E287	V52-Y56 HydrophobicContact CG1-CD2 4.19Å; V52-Y56 WeakPolarHBondContact O-CB 3.3Å; V52-Y56 WeakPolarHBondContact O-CD2 3.41Å; V52-Y56 PolarHBondContact O-N 2.79Å; K53-Y56 CarbonylContact O-C 3.21Å; Y56-A60 HydrophobicContact CG-CB 4.44Å; Y56-V280 HydrophobicContact CE2-CG1 4.48Å; Y56-M283 HydrophobicContact CD1-CE 3.67Å; Y56-M283 HydrophobicContact CD1-SD 4.35Å; Y56-M283 HydrophobicContact CD2-CE 3.98Å; Y56-M283 HydrophobicContact CD2-SD 3.62Å; Y56-M283 HydrophobicContact CE1-CE 3.8Å; Y56-M283 HydrophobicContact CE1-CG 4.37Å; Y56-M283 HydrophobicContact CE1-SD 4.23Å; Y56-M283 HydrophobicContact CE2-CB 4.32Å; Y56-M283 HydrophobicContact CE2-CE 4.1Å; Y56-M283 HydrophobicContact CE2-CG 3.91Å; Y56-M283 HydrophobicContact CE2-SD 3.48Å; Y56-M283 WeakPolarHBondContact CE2-SD 3.49Å; Y56-M283 HydrophobicContact CG-CE 3.76Å; Y56-M283 HydrophobicContact CG-SD 4.05Å; Y56-K284 WeakPolarHBondContact OH-CG 3.15Å; Y56-E287 WeakPolarHBondContact CE1-OE1 3.27Å; Y56-E287 WeakPolarHBondContact CE1-OE2 3.15Å; Y56-E287 PolarHBondContact OH-OE2 3.06Å
57	T	90.9	Very high	91.6	Very high	71 Å²	71	57.4 Å²	57.4	44%	0.436	32%	0.323	S	S	.	.			trans	-161	164.5	172.9	54.6	0	0	0	0	109.7	K53 S59 A60	K53-T57 WeakPolarHBondContact O-CA 3.31Å; K53-T57 PolarHBondContact O-N 3.49Å; T57-S59 PolarHBondContact O-N 2.98Å; T57-S59 VanDerWaalsContact O-N 3.15Å; T57-S59 PolarHBondContact OG1-N 2.91Å; T57-S59 PolarHBondContact OG1-OG 3.31Å; T57-A60 WeakPolarHBondContact O-CB 3.42Å; T57-A60 PolarHBondContact O-N 3.46Å; T57-A60 PolarHBondContact OG1-N 3.43Å
58	D	90.3	Very high	90.9	Very high	126 Å²	126	61.8 Å²	61.8	67%	0.674	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-53.5	-32.8	168.4	-62.7	-55	0	0	0	113.1	A60	D58-A60 VanDerWaalsContact C-N 3.27Å; D58-A60 PolarHBondContact O-N 3.11Å
59	S	90.9	Very high	90.4	Very high	90 Å²	90	65.9 Å²	65.9	63%	0.629	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-79.4	-3.2	178.7	72.3	0	0	0	0	114.2	T57 I61	T57-S59 PolarHBondContact O-N 2.98Å; T57-S59 VanDerWaalsContact O-N 3.15Å; T57-S59 PolarHBondContact OG1-N 2.91Å; T57-S59 PolarHBondContact OG1-OG 3.31Å; S59-I61 VanDerWaalsContact C-N 3.31Å
60	A	91.5	Very high	90.1	Very high	5 Å²	5	67.5 Å²	67.5	4%	0.041	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-81.9	-11.2	-177.9	0	0	0	0	0	113.1	V52 Y56 T57 D58 H77 M283	V52-A60 HydrophobicContact CG1-CB 4.28Å; Y56-A60 HydrophobicContact CG-CB 4.44Å; T57-A60 WeakPolarHBondContact O-CB 3.42Å; T57-A60 PolarHBondContact O-N 3.46Å; T57-A60 PolarHBondContact OG1-N 3.43Å; D58-A60 VanDerWaalsContact C-N 3.27Å; D58-A60 PolarHBondContact O-N 3.11Å; A60-H77 PolarHBondContact O-N 3.43Å; A60-M283 HydrophobicContact CB-CE 4.27Å
61	I	96.3	Very high	89.8	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.077	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.2	-177.2	-172.3	164.1	0	0	0	110.5	I49 V52 K53 S59 I74 D75 L76 L279	I49-I61 HydrophobicContact CB-CD1 4.23Å; I49-I61 HydrophobicContact CG1-CD1 3.91Å; I49-I61 HydrophobicContact CG2-CD1 4.2Å; V52-I61 HydrophobicContact CB-CD1 4.17Å; V52-I61 HydrophobicContact CG1-CB 3.93Å; V52-I61 HydrophobicContact CG1-CD1 4.31Å; V52-I61 HydrophobicContact CG1-CG2 4.19Å; V52-I61 HydrophobicContact CG2-CD1 4.35Å; K53-I61 HydrophobicContact CG-CG2 3.84Å; S59-I61 VanDerWaalsContact C-N 3.31Å; I61-I74 HydrophobicContact CD1-CG2 3.79Å; I61-I74 HydrophobicContact CG1-CG2 4.03Å; I61-D75 CarbonylContact C-O 3.55Å; I61-D75 WeakPolarHBondContact CA-O 3.49Å; I61-L76 HydrophobicContact CB-CD2 4.29Å; I61-L76 HydrophobicContact CD1-CD2 3.78Å; I61-L76 HydrophobicContact CG1-CD2 3.96Å; I61-L279 HydrophobicContact CD1-CD1 3.98Å
62	S	95.8	Very high	89.8	Confident	41 Å²	41	66 Å²	66	29%	0.287	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.6	167.2	57.7	0	0	0	0	111.4	D75 H77	S62-D75 PolarHBondContact N-O 3.26Å; S62-D75 PolarHBondContact O-N 2.98Å; S62-D75 WeakPolarHBondContact OG-CB 3.39Å; S62-H77 PolarHBondContact OG-NE2 2.75Å
63	V	94.9	Very high	89.9	Confident	49 Å²	49	66.1 Å²	66.1	30%	0.297	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.9	-174.5	-176.5	0	0	0	0	108.7	I49 E65 V72 D73 I74	I49-V63 HydrophobicContact CD1-CG2 3.9Å; I49-V63 HydrophobicContact CG1-CG2 4.33Å; V63-E65 HydrophobicContact CG1-CG 4.08Å; V63-V72 HydrophobicContact CG1-CG2 3.69Å; V63-D73 WeakPolarHBondContact CA-O 3.25Å; V63-I74 HydrophobicContact CB-CD1 4.28Å; V63-I74 HydrophobicContact CG1-CD1 3.89Å; V63-I74 HydrophobicContact CG2-CD1 3.8Å
64	R	93.7	Very high	90	Very high	76 Å²	76	63.2 Å²	63.2	29%	0.287	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.6	165.9	-66.6	177.5	-61.9	-71.4	-17.6	109.8	D73 D75	R64-D73 HydrophobicContact CB-CB 4.28Å; R64-D73 IonicContact CZ-OD2 2.73Å; R64-D73 PolarHBondContact N-O 3.46Å; R64-D73 IonicContact NE-OD2 3.2Å; R64-D73 PolarHBondContact NE-OD2 3.4Å; R64-D73 IonicContact NH2-OD2 3.49Å; R64-D73 PolarHBondContact NH2-OD2 2.86Å; R64-D73 PolarHBondContact O-N 3.33Å; R64-D75 IonicContact CZ-OD1 2.76Å; R64-D75 IonicContact CZ-OD2 2.63Å; R64-D75 VanDerWaalsContact NH1-CG 3.34Å; R64-D75 IonicContact NH1-OD1 3.42Å; R64-D75 IonicContact NH1-OD2 3.38Å; R64-D75 PolarHBondContact NH1-OD2 3.26Å; R64-D75 VanDerWaalsContact NH2-CG 3.27Å; R64-D75 IonicContact NH2-OD1 2.83Å; R64-D75 PolarHBondContact NH2-OD1 3.08Å; R64-D75 IonicContact NH2-OD2 2.72Å; R64-D75 PolarHBondContact NH2-OD2 3.06Å
65	E	90	Very high	90.2	Very high	88 Å²	88	57 Å²	57	41%	0.411	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.9	179.9	-61.4	178	130.5	0	0	109.7	R41 V63 V72 L107	R41-E65 IonicContact CZ-OE1 2.67Å; R41-E65 IonicContact NE-OE1 3.86Å; R41-E65 PolarHBondContact NE-OE1 2.89Å; R41-E65 IonicContact NH2-OE1 2.71Å; R41-E65 PolarHBondContact NH2-OE1 3.08Å; R41-E65 IonicContact NH2-OE2 3.66Å; R41-E65 PolarHBondContact NH2-OE2 3.01Å; V63-E65 HydrophobicContact CG1-CG 4.08Å; E65-V72 HydrophobicContact CG-CG2 4Å; E65-L107 HydrophobicContact CG-CD1 4.19Å; E65-L107 WeakPolarHBondContact OE1-CD1 3.42Å
66	Y	85.3	Confident	90.5	Very high	93 Å²	93	54 Å²	54	37%	0.365	31%	0.307	S	S	.	.			trans	-110.5	90.1	178.5	-61.6	-76.6	0	0	0	108.3	T68 I69 D71 D73	Y66-T68 PolarHBondContact O-N 2.94Å; Y66-I69 PolarHBondContact O-N 3.27Å; Y66-D71 HydrophobicContact CD2-CB 4.15Å; Y66-D73 HydrophobicContact CE2-CB 4.47Å; Y66-D73 PolarHBondContact OH-OD2 3.4Å
67	G	72.5	Confident	90.7	Very high	77 Å²	77	53.3 Å²	53.3	79%	0.794	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	4.1	-168.3	0	0	0	0	0	118.2
68	T	76.9	Confident	90.8	Very high	134 Å²	134	50 Å²	50	82%	0.822	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	0.4	173.7	54.9	0	0	0	0	113.8	Y66	Y66-T68 PolarHBondContact O-N 2.94Å
69	I	83.9	Confident	90.7	Very high	87 Å²	87	49.4 Å²	49.4	45%	0.446	28%	0.282	S	S	.	.	S	Bend	trans	-135.3	141.8	-176.2	-53.1	178.6	0	0	0	107.6	Y66 D71	Y66-I69 PolarHBondContact O-N 3.27Å; I69-D71 HydrophobicContact CB-CB 4.47Å; I69-D71 HydrophobicContact CG2-CB 3.84Å; I69-D71 PolarHBondContact O-N 3Å
70	D	87.1	Confident	90.4	Very high	39 Å²	39	45.1 Å²	45.1	21%	0.209	25%	0.253	C	S	.	.	S	Bend	trans	-74.3	43.2	174	-174.5	46.1	0	0	0	112.3	L39 S106 L107 S108	L39-D70 HydrophobicContact CD1-CB 4.11Å; L39-D70 HydrophobicContact CD2-CB 4.21Å; D70-S106 VanDerWaalsContact CG-OG 3.31Å; D70-S106 WeakPolarHBondContact O-CA 3.38Å; D70-S106 PolarHBondContact OD1-OG 2.96Å; D70-S106 PolarHBondContact OD2-OG 2.95Å; D70-L107 PolarHBondContact O-N 3.37Å; D70-L107 VanDerWaalsContact O-N 3.07Å; D70-L107 PolarHBondContact OD1-N 2.96Å; D70-S108 VanDerWaalsContact OD1-CB 3.24Å; D70-S108 WeakPolarHBondContact OD1-CB 3.5Å; D70-S108 PolarHBondContact OD1-N 3.36Å; D70-S108 PolarHBondContact OD1-OG 2.95Å; D70-S108 PolarHBondContact OD2-OG 3.42Å
71	D	89.4	Confident	89.8	Confident	75 Å²	75	46.3 Å²	46.3	40%	0.401	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.1	-178.7	-81.7	-18.1	0	0	0	110.6	Y66 I69 F105	Y66-D71 HydrophobicContact CD2-CB 4.15Å; I69-D71 HydrophobicContact CB-CB 4.47Å; I69-D71 HydrophobicContact CG2-CB 3.84Å; I69-D71 PolarHBondContact O-N 3Å; D71-F105 WeakPolarHBondContact CA-O 3.48Å
72	V	94	Very high	89	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.5	170.9	60.8	0	0	0	0	110.9	L45 V63 E65 I74 R104 F105 L107	L45-V72 HydrophobicContact CD2-CG1 3.76Å; V63-V72 HydrophobicContact CG1-CG2 3.69Å; E65-V72 HydrophobicContact CG-CG2 4Å; V72-I74 HydrophobicContact CG2-CD1 3.94Å; V72-R104 WeakPolarHBondContact O-CA 3.49Å; V72-F105 HydrophobicContact CG1-CB 3.94Å; V72-F105 PolarHBondContact N-O 3.34Å; V72-F105 PolarHBondContact O-N 3.36Å; V72-L107 HydrophobicContact CB-CB 4.32Å; V72-L107 HydrophobicContact CB-CD1 3.87Å; V72-L107 HydrophobicContact CG1-CB 4.35Å; V72-L107 HydrophobicContact CG1-CD1 4.18Å; V72-L107 HydrophobicContact CG2-CD1 4.26Å
73	D	95.5	Very high	87.9	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.3	168.1	-78.6	-3	0	0	0	109.5	V63 R64 Y66 R102 R104	V63-D73 WeakPolarHBondContact CA-O 3.25Å; R64-D73 HydrophobicContact CB-CB 4.28Å; R64-D73 IonicContact CZ-OD2 2.73Å; R64-D73 PolarHBondContact N-O 3.46Å; R64-D73 IonicContact NE-OD2 3.2Å; R64-D73 PolarHBondContact NE-OD2 3.4Å; R64-D73 IonicContact NH2-OD2 3.49Å; R64-D73 PolarHBondContact NH2-OD2 2.86Å; R64-D73 PolarHBondContact O-N 3.33Å; Y66-D73 HydrophobicContact CE2-CB 4.47Å; Y66-D73 PolarHBondContact OH-OD2 3.4Å; D73-R102 WeakPolarHBondContact OD2-CD 3.4Å; D73-R102 IonicContact OD2-CZ 3.61Å; D73-R102 IonicContact OD2-NE 3.5Å; D73-R102 IonicContact OD2-NH1 3.57Å; D73-R102 PolarHBondContact OD2-NH1 2.9Å; D73-R104 VanDerWaalsContact OD1-CD 3.26Å; D73-R104 WeakPolarHBondContact OD1-CD 3.31Å; D73-R104 VanDerWaalsContact OD1-CG 3.23Å; D73-R104 WeakPolarHBondContact OD1-CG 3.42Å; D73-R104 IonicContact OD1-NE 2.67Å
74	I	96.8	Very high	86.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.4	168.1	-54.8	-63	0	0	0	108.4	L45 I49 I61 V63 V72 L76 R102 L103 F105 L279	L45-I74 HydrophobicContact CD1-CD1 4.07Å; L45-I74 HydrophobicContact CD1-CG1 4.22Å; I49-I74 HydrophobicContact CD1-CD1 4.06Å; I49-I74 HydrophobicContact CG1-CD1 4.33Å; I61-I74 HydrophobicContact CD1-CG2 3.79Å; I61-I74 HydrophobicContact CG1-CG2 4.03Å; V63-I74 HydrophobicContact CB-CD1 4.28Å; V63-I74 HydrophobicContact CG1-CD1 3.89Å; V63-I74 HydrophobicContact CG2-CD1 3.8Å; V72-I74 HydrophobicContact CG2-CD1 3.94Å; I74-L76 HydrophobicContact CG2-CD2 4.2Å; I74-L76 HydrophobicContact CG2-CG 4.33Å; I74-R102 WeakPolarHBondContact O-CA 3.5Å; I74-L103 PolarHBondContact N-O 3.48Å; I74-L103 PolarHBondContact O-N 3.47Å; I74-F105 HydrophobicContact CB-CD2 4.34Å; I74-F105 HydrophobicContact CB-CE2 4.06Å; I74-F105 HydrophobicContact CG1-CD2 3.73Å; I74-F105 HydrophobicContact CG1-CE2 3.82Å; I74-L279 HydrophobicContact CG2-CD1 4.01Å; I74-L279 HydrophobicContact CG2-CD2 4.1Å
75	D	97	Very high	85.3	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.4	173.7	-76	11.9	0	0	0	109	I61 S62 R64 H77 I100 R102	I61-D75 CarbonylContact C-O 3.55Å; I61-D75 WeakPolarHBondContact CA-O 3.49Å; S62-D75 PolarHBondContact N-O 3.26Å; S62-D75 PolarHBondContact O-N 2.98Å; S62-D75 WeakPolarHBondContact OG-CB 3.39Å; R64-D75 IonicContact CZ-OD1 2.76Å; R64-D75 IonicContact CZ-OD2 2.63Å; R64-D75 VanDerWaalsContact NH1-CG 3.34Å; R64-D75 IonicContact NH1-OD1 3.42Å; R64-D75 IonicContact NH1-OD2 3.38Å; R64-D75 PolarHBondContact NH1-OD2 3.26Å; R64-D75 VanDerWaalsContact NH2-CG 3.27Å; R64-D75 IonicContact NH2-OD1 2.83Å; R64-D75 PolarHBondContact NH2-OD1 3.08Å; R64-D75 IonicContact NH2-OD2 2.72Å; R64-D75 PolarHBondContact NH2-OD2 3.06Å; D75-H77 PolarHBondContact O-CD2 2.84Å; D75-H77 VanDerWaalsContact O-CD2 3.3Å; D75-I100 HydrophobicContact CB-CG2 3.69Å; D75-R102 VanDerWaalsContact OD1-CB 3.29Å; D75-R102 WeakPolarHBondContact OD1-CB 3.45Å; D75-R102 VanDerWaalsContact OD1-CG 3.24Å; D75-R102 WeakPolarHBondContact OD1-CG 3.26Å; D75-R102 IonicContact OD1-CZ 2.75Å; D75-R102 IonicContact OD1-NE 3.68Å; D75-R102 PolarHBondContact OD1-NE 2.84Å; D75-R102 IonicContact OD1-NH2 2.95Å; D75-R102 PolarHBondContact OD1-NH2 3Å; D75-R102 IonicContact OD2-CZ 3.03Å; D75-R102 IonicContact OD2-NE 2.85Å; D75-R102 IonicContact OD2-NH2 3.15Å; D75-R102 PolarHBondContact OD2-NH2 3.01Å
76	L	96.9	Very high	83.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128	172.7	-60.5	171.6	0	0	0	109.7	V52 I61 I74 I100 L101 L103 L279 I282 M283	V52-L76 HydrophobicContact CG1-CD2 4.13Å; V52-L76 HydrophobicContact CG2-CD2 4.18Å; I61-L76 HydrophobicContact CB-CD2 4.29Å; I61-L76 HydrophobicContact CD1-CD2 3.78Å; I61-L76 HydrophobicContact CG1-CD2 3.96Å; I74-L76 HydrophobicContact CG2-CD2 4.2Å; I74-L76 HydrophobicContact CG2-CG 4.33Å; L76-I100 WeakPolarHBondContact O-CA 3.25Å; L76-L101 HydrophobicContact CB-CB 4.27Å; L76-L101 HydrophobicContact CD1-CD2 4.07Å; L76-L101 PolarHBondContact N-O 3.17Å; L76-L101 PolarHBondContact O-N 3.46Å; L76-L103 HydrophobicContact CD1-CD1 3.92Å; L76-L279 HydrophobicContact CD1-CD2 4.48Å; L76-I282 HydrophobicContact CD1-CG2 3.86Å; L76-M283 HydrophobicContact CD1-CB 4.48Å
77	H	95.3	Very high	83	Confident	46 Å²	46	42.7 Å²	42.7	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	100.1	-170.9	-66.9	-136.4	0	0	0	110.2	A60 S62 D75 P98	A60-H77 PolarHBondContact O-N 3.43Å; S62-H77 PolarHBondContact OG-NE2 2.75Å; D75-H77 PolarHBondContact O-CD2 2.84Å; D75-H77 VanDerWaalsContact O-CD2 3.3Å; H77-P98 HydrophobicContact CB-CB 3.98Å; H77-P98 HydrophobicContact CB-CG 4.21Å
78	I	92.1	Very high	83	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.9	-176.8	-55.1	162.2	0	0	0	109.5	I80 P98 I99 L101 S286 E287 I290	I78-I80 PolarHBondContact O-N 3.34Å; I78-P98 VanDerWaalsContact O-CA 3.3Å; I78-P98 WeakPolarHBondContact O-CA 3.15Å; I78-P98 WeakPolarHBondContact O-CB 3.17Å; I78-I99 PolarHBondContact N-O 2.88Å; I78-I99 PolarHBondContact O-N 3.36Å; I78-L101 HydrophobicContact CD1-CB 4.23Å; I78-S286 VanDerWaalsContact CD1-CB 3.44Å; I78-E287 HydrophobicContact CG2-CG 4.14Å; I78-I290 HydrophobicContact CD1-CD1 4.23Å; I78-I290 HydrophobicContact CG2-CD1 3.78Å
79	N	88.3	Confident	82.7	Confident	114 Å²	114	37.2 Å²	37.2	61%	0.61	20%	0.2	S	C	*	.			trans	-74	118.8	178.5	-172.4	-39.9	0	0	0	111.1	G81 F82	N79-G81 PolarHBondContact OD1-N 3.26Å; N79-F82 VanDerWaalsContact O-CD1 3.31Å; N79-F82 WeakPolarHBondContact O-CD1 3.38Å; N79-F82 WeakPolarHBondContact O-CE1 3.47Å
80	I	84.6	Confident	81.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.179	C	C	.	.			trans	-106.7	14.3	179.6	58.4	158	0	0	0	114.4	I78 F82 L83 V93 E97 I99	I78-I80 PolarHBondContact O-N 3.34Å; I80-F82 HydrophobicContact CG2-CE1 4.48Å; I80-F82 PolarHBondContact O-N 3.35Å; I80-F82 VanDerWaalsContact O-N 3.07Å; I80-L83 HydrophobicContact CB-CD1 3.96Å; I80-L83 HydrophobicContact CB-CG 4.29Å; I80-L83 HydrophobicContact CD1-CD1 4.3Å; I80-L83 HydrophobicContact CG2-CD1 4.39Å; I80-L83 WeakPolarHBondContact O-CB 3.19Å; I80-L83 PolarHBondContact O-N 2.67Å; I80-V93 HydrophobicContact CD1-CB 3.74Å; I80-V93 HydrophobicContact CD1-CG2 3.79Å; I80-E97 WeakPolarHBondContact CG1-O 3.24Å; I80-I99 HydrophobicContact CD1-CD1 4.36Å; I80-I99 HydrophobicContact CD1-CG1 4.05Å; I80-I99 HydrophobicContact CG1-CG1 4.44Å; I80-I99 HydrophobicContact CG2-CB 4.45Å; I80-I99 HydrophobicContact CG2-CD1 3.64Å; I80-I99 HydrophobicContact CG2-CG1 3.79Å
81	G	80	Confident	81	Confident	30 Å²	30	31.4 Å²	31.4	31%	0.309	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.4	178.8	0	0	0	0	0	114	N79 L83 R95	N79-G81 PolarHBondContact OD1-N 3.26Å; G81-L83 VanDerWaalsContact C-N 3.26Å; G81-L83 PolarHBondContact O-N 3.03Å; G81-R95 PolarHBondContact O-NH2 3.3Å; G81-R95 VanDerWaalsContact O-NH2 3.12Å
82	F	78.4	Confident	80.2	Confident	85 Å²	85	32.2 Å²	32.2	37%	0.373	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.3	172.9	70.6	-100.3	0	0	0	113.9	N79 I80 I290 P291	N79-F82 VanDerWaalsContact O-CD1 3.31Å; N79-F82 WeakPolarHBondContact O-CD1 3.38Å; N79-F82 WeakPolarHBondContact O-CE1 3.47Å; I80-F82 HydrophobicContact CG2-CE1 4.48Å; I80-F82 PolarHBondContact O-N 3.35Å; I80-F82 VanDerWaalsContact O-N 3.07Å; F82-I290 HydrophobicContact CE2-CG2 4.45Å; F82-I290 HydrophobicContact CZ-CB 4.48Å; F82-I290 HydrophobicContact CZ-CG2 3.83Å; F82-P291 HydrophobicContact CE2-CB 4.4Å; F82-P291 HydrophobicContact CE2-CG 3.82Å; F82-P291 HydrophobicContact CZ-CG 4.09Å
83	L	73.6	Confident	79.5	Confident	10 Å²	10	32.7 Å²	32.7	5%	0.052	17%	0.173	C	C	.	.	S	Bend	trans	-67.1	141.3	175	-65.8	179.2	0	0	0	109.8	I80 G81 V87 W91 V93 R95	I80-L83 HydrophobicContact CB-CD1 3.96Å; I80-L83 HydrophobicContact CB-CG 4.29Å; I80-L83 HydrophobicContact CD1-CD1 4.3Å; I80-L83 HydrophobicContact CG2-CD1 4.39Å; I80-L83 WeakPolarHBondContact O-CB 3.19Å; I80-L83 PolarHBondContact O-N 2.67Å; G81-L83 VanDerWaalsContact C-N 3.26Å; G81-L83 PolarHBondContact O-N 3.03Å; L83-V87 HydrophobicContact CD2-CG1 4.39Å; L83-W91 HydrophobicContact CD1-CE3 3.67Å; L83-W91 HydrophobicContact CD1-CZ3 3.65Å; L83-W91 HydrophobicContact CD2-CE3 4.25Å; L83-W91 HydrophobicContact CD2-CH2 4.03Å; L83-W91 HydrophobicContact CD2-CZ3 3.49Å; L83-W91 VanDerWaalsContact CD2-CZ3 3.49Å; L83-W91 HydrophobicContact CG-CZ3 4.25Å; L83-V93 HydrophobicContact CD1-CG2 3.96Å; L83-R95 PolarHBondContact O-NE 3Å; L83-R95 PolarHBondContact O-NH2 3.46Å; L83-R95 VanDerWaalsContact O-NH2 3.11Å
84	D	66.9	Low	79	Confident	63 Å²	63	35.4 Å²	35.4	34%	0.337	19%	0.187	S	C	.	.			trans	-65.9	148.3	170.4	-77.2	-50.6	0	0	0	111.2	E86 V87 A88 R472	D84-E86 VanDerWaalsContact C-N 3.34Å; D84-E86 PolarHBondContact O-N 3.15Å; D84-V87 HydrophobicContact CB-CB 4.19Å; D84-V87 HydrophobicContact CB-CG2 3.91Å; D84-V87 WeakPolarHBondContact O-CB 3.4Å; D84-V87 PolarHBondContact O-N 3.4Å; D84-V87 VanDerWaalsContact O-N 3.1Å; D84-A88 WeakPolarHBondContact O-CB 3.21Å; D84-A88 PolarHBondContact O-N 2.9Å; D84-R472 IonicContact OD1-CZ 3.29Å; D84-R472 IonicContact OD1-NH1 3.72Å; D84-R472 PolarHBondContact OD1-NH1 3.04Å; D84-R472 IonicContact OD1-NH2 2.76Å; D84-R472 IonicContact OD2-CZ 3.47Å; D84-R472 IonicContact OD2-NH1 3.49Å; D84-R472 PolarHBondContact OD2-NH1 2.89Å; D84-R472 IonicContact OD2-NH2 3.6Å
85	E	66.2	Low	78.4	Confident	66 Å²	66	40 Å²	40	31%	0.308	20%	0.204	S	C	.	.	H	α-helix	trans	-56.2	-47.6	178.3	-162	-178.2	138.4	0	0	112.2	V87 A88 T89	E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.02Å; E85-A88 PolarHBondContact O-N 3.25Å; E85-T89 PolarHBondContact O-N 3.27Å; E85-T89 PolarHBondContact O-OG1 3.23Å; E85-T89 VanDerWaalsContact O-OG1 3.06Å
86	E	61.2	Low	78	Confident	49 Å²	49	46.1 Å²	46.1	23%	0.229	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-39.6	176	-61.4	162.4	153.9	0	0	112.3	D84 A90 R472	D84-E86 VanDerWaalsContact C-N 3.34Å; D84-E86 PolarHBondContact O-N 3.15Å; E86-A90 VanDerWaalsContact O-CB 3.24Å; E86-A90 WeakPolarHBondContact O-CB 3.34Å; E86-A90 PolarHBondContact O-N 3.04Å; E86-A90 VanDerWaalsContact O-N 3.08Å; E86-R472 IonicContact OE2-CZ 2.73Å; E86-R472 IonicContact OE2-NH2 2.73Å; E86-R472 PolarHBondContact OE2-NH2 3.42Å
87	V	65.8	Low	77.6	Confident	13 Å²	13	47.9 Å²	47.9	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-72.8	-44.3	178.6	176.2	0	0	0	0	110.3	L83 D84 E85 A90 W91 L312 P465	L83-V87 HydrophobicContact CD2-CG1 4.39Å; D84-V87 HydrophobicContact CB-CB 4.19Å; D84-V87 HydrophobicContact CB-CG2 3.91Å; D84-V87 WeakPolarHBondContact O-CB 3.4Å; D84-V87 PolarHBondContact O-N 3.4Å; D84-V87 VanDerWaalsContact O-N 3.1Å; E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.02Å; V87-A90 PolarHBondContact O-N 2.71Å; V87-W91 HydrophobicContact CG1-CD2 3.67Å; V87-W91 VanDerWaalsContact CG1-CE2 3.47Å; V87-W91 HydrophobicContact CG1-CE3 3.89Å; V87-W91 HydrophobicContact CG1-CG 4.35Å; V87-W91 HydrophobicContact CG1-CH2 3.86Å; V87-W91 HydrophobicContact CG1-CZ2 3.58Å; V87-W91 HydrophobicContact CG1-CZ3 4.01Å; V87-W91 WeakPolarHBondContact O-CB 3.46Å; V87-W91 VanDerWaalsContact O-CG 3.26Å; V87-W91 PolarHBondContact O-N 2.95Å; V87-L312 HydrophobicContact CG2-CD1 3.96Å; V87-P465 HydrophobicContact CG2-CG 4.45Å
88	A	72.4	Confident	77.4	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-45.5	179.1	0	0	0	0	0	112.4	D84 E85 A90 W91 K92 V93 R95	D84-A88 WeakPolarHBondContact O-CB 3.21Å; D84-A88 PolarHBondContact O-N 2.9Å; E85-A88 PolarHBondContact O-N 3.25Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 2.76Å; A88-W91 CarbonylContact O-C 3.55Å; A88-W91 PolarHBondContact O-N 2.73Å; A88-K92 WeakPolarHBondContact O-CA 3.15Å; A88-K92 PolarHBondContact O-N 2.84Å; A88-V93 HydrophobicContact CB-CG2 3.78Å; A88-V93 PolarHBondContact O-N 3.33Å; A88-R95 HydrophobicContact CB-CG 3.29Å
89	T	70.8	Confident	77.4	Confident	93 Å²	93	47.4 Å²	47.4	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-59.9	-41.7	171.6	-55.5	0	0	0	0	111.2	E85 W91 K92	E85-T89 PolarHBondContact O-N 3.27Å; E85-T89 PolarHBondContact O-OG1 3.23Å; E85-T89 VanDerWaalsContact O-OG1 3.06Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 2.98Å; T89-K92 PolarHBondContact O-N 3.02Å
90	A	64	Low	77.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-32.4	178	0	0	0	0	0	113.4	E86 V87 A88 L312 K313	E86-A90 VanDerWaalsContact O-CB 3.24Å; E86-A90 WeakPolarHBondContact O-CB 3.34Å; E86-A90 PolarHBondContact O-N 3.04Å; E86-A90 VanDerWaalsContact O-N 3.08Å; V87-A90 PolarHBondContact O-N 2.71Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 2.76Å; A90-L312 HydrophobicContact CB-CD1 4.33Å; A90-L312 HydrophobicContact CB-CD2 3.47Å; A90-L312 VanDerWaalsContact CB-CD2 3.47Å; A90-L312 HydrophobicContact CB-CG 3.72Å; A90-K313 HydrophobicContact CB-CG 4.5Å; A90-K313 WeakPolarHBondContact O-CE 3.37Å; A90-K313 PolarHBondContact O-NZ 3.41Å
91	W	72.2	Confident	78.2	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-88.1	-9.4	177.2	-65.8	-2	0	0	0	113.8	L83 V87 A88 T89 V93 S130 L131 I290 N294 L312	L83-W91 HydrophobicContact CD1-CE3 3.67Å; L83-W91 HydrophobicContact CD1-CZ3 3.65Å; L83-W91 HydrophobicContact CD2-CE3 4.25Å; L83-W91 HydrophobicContact CD2-CH2 4.03Å; L83-W91 HydrophobicContact CD2-CZ3 3.49Å; L83-W91 VanDerWaalsContact CD2-CZ3 3.49Å; L83-W91 HydrophobicContact CG-CZ3 4.25Å; V87-W91 HydrophobicContact CG1-CD2 3.67Å; V87-W91 VanDerWaalsContact CG1-CE2 3.47Å; V87-W91 HydrophobicContact CG1-CE3 3.89Å; V87-W91 HydrophobicContact CG1-CG 4.35Å; V87-W91 HydrophobicContact CG1-CH2 3.86Å; V87-W91 HydrophobicContact CG1-CZ2 3.58Å; V87-W91 HydrophobicContact CG1-CZ3 4.01Å; V87-W91 WeakPolarHBondContact O-CB 3.46Å; V87-W91 VanDerWaalsContact O-CG 3.26Å; V87-W91 PolarHBondContact O-N 2.95Å; A88-W91 CarbonylContact O-C 3.55Å; A88-W91 PolarHBondContact O-N 2.73Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 2.98Å; W91-V93 VanDerWaalsContact C-N 3.34Å; W91-V93 HydrophobicContact CB-CG1 4.37Å; W91-V93 HydrophobicContact CB-CG2 4.15Å; W91-S130 PolarHBondContact O-OG 2.94Å; W91-L131 HydrophobicContact CB-CB 4.47Å; W91-L131 HydrophobicContact CD2-CD1 3.81Å; W91-L131 HydrophobicContact CD2-CD2 3.97Å; W91-L131 HydrophobicContact CD2-CG 4.37Å; W91-L131 HydrophobicContact CE3-CD1 3.94Å; W91-L131 HydrophobicContact CE3-CD2 3.35Å; W91-L131 HydrophobicContact CE3-CG 4.2Å; W91-L131 HydrophobicContact CG-CD1 4.3Å; W91-L131 HydrophobicContact CH2-CD1 4.26Å; W91-L131 HydrophobicContact CZ2-CD1 4.18Å; W91-L131 HydrophobicContact CZ3-CD1 4.14Å; W91-L131 HydrophobicContact CZ3-CD2 3.65Å; W91-I290 WeakPolarHBondContact CH2-O 3.3Å; W91-I290 HydrophobicContact CZ3-CG2 4.31Å; W91-N294 HydrophobicContact CZ2-CB 4.16Å; W91-L312 PolarHBondContact NE1-O 3.44Å
92	K	71.6	Confident	78.9	Confident	93 Å²	93	43.6 Å²	43.6	40%	0.404	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	43.2	-170.9	-58.5	-176.1	178.8	-174	0	113.3	A88 T89 E338	A88-K92 WeakPolarHBondContact O-CA 3.15Å; A88-K92 PolarHBondContact O-N 2.84Å; T89-K92 PolarHBondContact O-N 3.02Å; K92-E338 WeakPolarHBondContact CD-OE2 3.43Å; K92-E338 WeakPolarHBondContact CE-O 3.48Å; K92-E338 WeakPolarHBondContact CE-OE2 3.39Å; K92-E338 PolarHBondContact NZ-O 2.63Å; K92-E338 IonicContact NZ-OE2 2.62Å; K92-E338 PolarHBondContact NZ-OE2 2.67Å
93	V	79.3	Confident	79.8	Confident	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.202	C	C	.	.			trans	-106.6	139	172.4	-63.6	0	0	0	0	111.5	I80 L83 A88 W91 F129	I80-V93 HydrophobicContact CD1-CB 3.74Å; I80-V93 HydrophobicContact CD1-CG2 3.79Å; L83-V93 HydrophobicContact CD1-CG2 3.96Å; A88-V93 HydrophobicContact CB-CG2 3.78Å; A88-V93 PolarHBondContact O-N 3.33Å; W91-V93 VanDerWaalsContact C-N 3.34Å; W91-V93 HydrophobicContact CB-CG1 4.37Å; W91-V93 HydrophobicContact CB-CG2 4.15Å; V93-F129 HydrophobicContact CG1-CD2 3.26Å; V93-F129 HydrophobicContact CG1-CE2 3.23Å; V93-F129 HydrophobicContact CG1-CG 3.98Å; V93-F129 HydrophobicContact CG1-CZ 3.95Å
94	I	84.9	Confident	80.8	Confident	62 Å²	62	44.2 Å²	44.2	32%	0.318	22%	0.219	S	C	.	.			trans	-85.8	110.5	177.7	-61.7	168.6	0	0	0	107.5	T96 E97 Q122	I94-T96 VanDerWaalsContact CG2-OG1 3.24Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.48Å; I94-T96 PolarHBondContact O-N 3.06Å; I94-E97 HydrophobicContact CB-CB 4.25Å; I94-E97 HydrophobicContact CB-CG 4.39Å; I94-E97 HydrophobicContact CG2-CB 4.1Å; I94-E97 HydrophobicContact CG2-CG 3.86Å; I94-E97 PolarHBondContact O-N 2.67Å; I94-E97 VanDerWaalsContact O-N 3.1Å; I94-Q122 PolarHBondContact O-NE2 3.05Å
95	R	85.6	Confident	82.1	Confident	95 Å²	95	41.4 Å²	41.4	36%	0.358	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.1	-174.8	-66.6	175.8	63.6	-141.4	-0.1	114.5	G81 L83 A88 E97	G81-R95 PolarHBondContact O-NH2 3.3Å; G81-R95 VanDerWaalsContact O-NH2 3.12Å; L83-R95 PolarHBondContact O-NE 3Å; L83-R95 PolarHBondContact O-NH2 3.46Å; L83-R95 VanDerWaalsContact O-NH2 3.11Å; A88-R95 HydrophobicContact CB-CG 3.29Å; R95-E97 VanDerWaalsContact C-N 3.3Å
96	T	87.1	Confident	83.4	Confident	134 Å²	134	38.4 Å²	38.4	82%	0.822	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.2	177.5	51.1	0	0	0	0	112.9	I94	I94-T96 VanDerWaalsContact CG2-OG1 3.24Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.48Å; I94-T96 PolarHBondContact O-N 3.06Å
97	E	89.8	Confident	84.8	Confident	36 Å²	36	36.3 Å²	36.3	17%	0.168	18%	0.18	C	C	.	.	S	Bend	trans	-112.5	143.2	177.2	-71.3	178.5	-151.4	0	0	110.2	I80 I94 R95 Q122 P123 S124	I80-E97 WeakPolarHBondContact CG1-O 3.24Å; I94-E97 HydrophobicContact CB-CB 4.25Å; I94-E97 HydrophobicContact CB-CG 4.39Å; I94-E97 HydrophobicContact CG2-CB 4.1Å; I94-E97 HydrophobicContact CG2-CG 3.86Å; I94-E97 PolarHBondContact O-N 2.67Å; I94-E97 VanDerWaalsContact O-N 3.1Å; R95-E97 VanDerWaalsContact C-N 3.3Å; E97-Q122 PolarHBondContact O-NE2 3.27Å; E97-Q122 VanDerWaalsContact O-NE2 3.1Å; E97-P123 WeakPolarHBondContact OE2-CD 3.27Å; E97-S124 VanDerWaalsContact CD-OG 3.31Å; E97-S124 WeakPolarHBondContact OE1-CB 3.43Å; E97-S124 PolarHBondContact OE1-OG 3.09Å; E97-S124 WeakPolarHBondContact OE2-CB 3.43Å; E97-S124 PolarHBondContact OE2-N 3.13Å; E97-S124 PolarHBondContact OE2-OG 3.06Å
98	P	91.3	Very high	86	Confident	36 Å²	36	37.6 Å²	37.6	23%	0.234	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-67.2	159	171	30.2	-34.3	0	0	0	110.9	H77 I78 I100 Q122	H77-P98 HydrophobicContact CB-CB 3.98Å; H77-P98 HydrophobicContact CB-CG 4.21Å; I78-P98 VanDerWaalsContact O-CA 3.3Å; I78-P98 WeakPolarHBondContact O-CA 3.15Å; I78-P98 WeakPolarHBondContact O-CB 3.17Å; P98-I100 HydrophobicContact CG-CG1 4.37Å; P98-Q122 PolarHBondContact O-NE2 2.84Å
99	I	91.8	Very high	86.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.7	156.5	-65.3	179	0	0	0	106.5	I78 I80 V120 Q122 F129 L135 I290	I78-I99 PolarHBondContact N-O 2.88Å; I78-I99 PolarHBondContact O-N 3.36Å; I80-I99 HydrophobicContact CD1-CD1 4.36Å; I80-I99 HydrophobicContact CD1-CG1 4.05Å; I80-I99 HydrophobicContact CG1-CG1 4.44Å; I80-I99 HydrophobicContact CG2-CB 4.45Å; I80-I99 HydrophobicContact CG2-CD1 3.64Å; I80-I99 HydrophobicContact CG2-CG1 3.79Å; I99-V120 HydrophobicContact CG2-CG1 3.61Å; I99-Q122 HydrophobicContact CG1-CG 4.38Å; I99-F129 HydrophobicContact CD1-CE2 4.11Å; I99-F129 HydrophobicContact CD1-CZ 3.82Å; I99-F129 HydrophobicContact CG1-CZ 3.95Å; I99-F129 HydrophobicContact CG2-CZ 4.24Å; I99-L135 HydrophobicContact CG2-CD2 4.25Å; I99-I290 HydrophobicContact CD1-CD1 4.43Å
100	I	93.9	Very high	87.9	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.6	176	-61.9	174.8	0	0	0	108.6	D75 L76 P98 V120 F121 P123	D75-I100 HydrophobicContact CB-CG2 3.69Å; L76-I100 WeakPolarHBondContact O-CA 3.25Å; P98-I100 HydrophobicContact CG-CG1 4.37Å; I100-V120 WeakPolarHBondContact O-CA 3.4Å; I100-F121 HydrophobicContact CB-CD2 4.39Å; I100-F121 HydrophobicContact CB-CE1 4.09Å; I100-F121 HydrophobicContact CB-CE2 3.94Å; I100-F121 HydrophobicContact CB-CZ 3.76Å; I100-F121 HydrophobicContact CD1-CE2 3.77Å; I100-F121 HydrophobicContact CD1-CZ 4.1Å; I100-F121 HydrophobicContact CG1-CE2 4.4Å; I100-F121 HydrophobicContact CG2-CE1 3.75Å; I100-F121 HydrophobicContact CG2-CE2 4.13Å; I100-F121 HydrophobicContact CG2-CZ 3.46Å; I100-F121 VanDerWaalsContact CG2-CZ 3.46Å; I100-F121 PolarHBondContact N-O 2.98Å; I100-F121 PolarHBondContact O-N 2.66Å; I100-F121 VanDerWaalsContact O-N 3.09Å; I100-P123 HydrophobicContact CD1-CG 3.8Å
101	L	94.9	Very high	89.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.2	168.2	168	61.7	0	0	0	107.8	L76 I78 L103 V118 D119 V120 L139 I282	L76-L101 HydrophobicContact CB-CB 4.27Å; L76-L101 HydrophobicContact CD1-CD2 4.07Å; L76-L101 PolarHBondContact N-O 3.17Å; L76-L101 PolarHBondContact O-N 3.46Å; I78-L101 HydrophobicContact CD1-CB 4.23Å; L101-L103 HydrophobicContact CD1-CD2 4.01Å; L101-L103 HydrophobicContact CG-CD2 4.25Å; L101-L103 HydrophobicContact CG-CG 4.31Å; L101-V118 HydrophobicContact CD1-CG1 3.59Å; L101-D119 WeakPolarHBondContact CA-O 3.37Å; L101-V120 HydrophobicContact CD1-CG2 4.08Å; L101-L139 HydrophobicContact CD1-CD1 3.62Å; L101-L139 HydrophobicContact CD2-CD1 3.91Å; L101-L139 HydrophobicContact CG-CD1 4.33Å; L101-I282 HydrophobicContact CD2-CD1 4.21Å; L101-I282 HydrophobicContact CD2-CG1 4.06Å; L101-I282 HydrophobicContact CD2-CG2 4.37Å
102	R	95.6	Very high	90.3	Very high	54 Å²	54	41.7 Å²	41.7	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.6	177.3	173.3	174.1	-57.2	-173.2	2.5	110.4	D73 I74 D75 R104 V118 D119 F121	D73-R102 WeakPolarHBondContact OD2-CD 3.4Å; D73-R102 IonicContact OD2-CZ 3.61Å; D73-R102 IonicContact OD2-NE 3.5Å; D73-R102 IonicContact OD2-NH1 3.57Å; D73-R102 PolarHBondContact OD2-NH1 2.9Å; I74-R102 WeakPolarHBondContact O-CA 3.5Å; D75-R102 VanDerWaalsContact OD1-CB 3.29Å; D75-R102 WeakPolarHBondContact OD1-CB 3.45Å; D75-R102 VanDerWaalsContact OD1-CG 3.24Å; D75-R102 WeakPolarHBondContact OD1-CG 3.26Å; D75-R102 IonicContact OD1-CZ 2.75Å; D75-R102 IonicContact OD1-NE 3.68Å; D75-R102 PolarHBondContact OD1-NE 2.84Å; D75-R102 IonicContact OD1-NH2 2.95Å; D75-R102 PolarHBondContact OD1-NH2 3Å; D75-R102 IonicContact OD2-CZ 3.03Å; D75-R102 IonicContact OD2-NE 2.85Å; D75-R102 IonicContact OD2-NH2 3.15Å; D75-R102 PolarHBondContact OD2-NH2 3.01Å; R102-R104 HydrophobicContact CG-CG 4.38Å; R102-V118 WeakPolarHBondContact O-CA 3.32Å; R102-D119 HydrophobicContact CB-CB 4.08Å; R102-D119 PolarHBondContact N-O 3.17Å; R102-D119 PolarHBondContact O-N 3.5Å; R102-F121 HydrophobicContact CB-CE1 3.98Å
103	L	96.6	Very high	91.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	176.3	-56.5	174.3	0	0	0	107.9	I74 L76 L101 F105 S117 V118 L279 I282	I74-L103 PolarHBondContact N-O 3.48Å; I74-L103 PolarHBondContact O-N 3.47Å; L76-L103 HydrophobicContact CD1-CD1 3.92Å; L101-L103 HydrophobicContact CD1-CD2 4.01Å; L101-L103 HydrophobicContact CG-CD2 4.25Å; L101-L103 HydrophobicContact CG-CG 4.31Å; L103-F105 HydrophobicContact CB-CD2 4.17Å; L103-F105 HydrophobicContact CB-CE2 3.4Å; L103-F105 VanDerWaalsContact CB-CE2 3.4Å; L103-F105 HydrophobicContact CB-CZ 3.78Å; L103-F105 HydrophobicContact CD1-CE2 4.07Å; L103-F105 HydrophobicContact CD1-CZ 3.88Å; L103-F105 HydrophobicContact CG-CE2 4.38Å; L103-F105 HydrophobicContact CG-CZ 4.43Å; L103-S117 WeakPolarHBondContact CA-O 3.48Å; L103-V118 HydrophobicContact CD2-CB 4.35Å; L103-V118 HydrophobicContact CD2-CG1 4.17Å; L103-V118 HydrophobicContact CD2-CG2 3.8Å; L103-L279 HydrophobicContact CD1-CD2 3.92Å; L103-I282 HydrophobicContact CD1-CD1 4.31Å; L103-I282 HydrophobicContact CD1-CG2 3.92Å; L103-I282 HydrophobicContact CD2-CD1 4.03Å
104	R	95.6	Very high	91.8	Very high	108 Å²	108	41.5 Å²	41.5	41%	0.408	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.5	178.1	-43.6	-168.7	-156.4	174.1	4.5	109.7	V72 D73 R102 P116 S117 D119	V72-R104 WeakPolarHBondContact O-CA 3.49Å; D73-R104 VanDerWaalsContact OD1-CD 3.26Å; D73-R104 WeakPolarHBondContact OD1-CD 3.31Å; D73-R104 VanDerWaalsContact OD1-CG 3.23Å; D73-R104 WeakPolarHBondContact OD1-CG 3.42Å; D73-R104 IonicContact OD1-NE 2.67Å; R102-R104 HydrophobicContact CG-CG 4.38Å; R104-P116 WeakPolarHBondContact O-CA 3.41Å; R104-P116 WeakPolarHBondContact O-CB 3.35Å; R104-S117 WeakPolarHBondContact CB-OG 3.4Å; R104-S117 WeakPolarHBondContact CD-OG 3.26Å; R104-S117 VanDerWaalsContact CG-OG 3.26Å; R104-S117 WeakPolarHBondContact CG-OG 3.37Å; R104-S117 PolarHBondContact N-O 3.25Å; R104-S117 VanDerWaalsContact N-O 3.11Å; R104-S117 PolarHBondContact NE-OG 3.09Å; R104-S117 PolarHBondContact O-N 3.13Å; R104-D119 IonicContact CZ-OD2 3.67Å; R104-D119 IonicContact NE-OD2 2.72Å; R104-D119 IonicContact NH2-OD2 3.61Å; R104-D119 PolarHBondContact NH2-OD2 3.37Å
105	F	93.8	Very high	92.2	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	164.1	-176.9	-59.7	-86.9	0	0	0	111	D71 V72 I74 L103 Y110 P116 W147 F278 L279	D71-F105 WeakPolarHBondContact CA-O 3.48Å; V72-F105 HydrophobicContact CG1-CB 3.94Å; V72-F105 PolarHBondContact N-O 3.34Å; V72-F105 PolarHBondContact O-N 3.36Å; I74-F105 HydrophobicContact CB-CD2 4.34Å; I74-F105 HydrophobicContact CB-CE2 4.06Å; I74-F105 HydrophobicContact CG1-CD2 3.73Å; I74-F105 HydrophobicContact CG1-CE2 3.82Å; L103-F105 HydrophobicContact CB-CD2 4.17Å; L103-F105 HydrophobicContact CB-CE2 3.4Å; L103-F105 VanDerWaalsContact CB-CE2 3.4Å; L103-F105 HydrophobicContact CB-CZ 3.78Å; L103-F105 HydrophobicContact CD1-CE2 4.07Å; L103-F105 HydrophobicContact CD1-CZ 3.88Å; L103-F105 HydrophobicContact CG-CE2 4.38Å; L103-F105 HydrophobicContact CG-CZ 4.43Å; F105-Y110 HydrophobicContact CB-CD2 4.2Å; F105-Y110 AromaticContact CD1-CD2 3.77Å; F105-Y110 HydrophobicContact CD1-CD2 3.77Å; F105-Y110 AromaticContact CD1-CE2 3.7Å; F105-Y110 HydrophobicContact CD1-CE2 3.7Å; F105-Y110 HydrophobicContact CD2-CE2 4.24Å; F105-Y110 HydrophobicContact CE1-CD2 4.19Å; F105-Y110 AromaticContact CE1-CE2 3.64Å; F105-Y110 HydrophobicContact CE1-CE2 3.64Å; F105-Y110 HydrophobicContact CE2-CE2 4.19Å; F105-Y110 AromaticContact CG-CD2 3.93Å; F105-Y110 HydrophobicContact CG-CD2 3.93Å; F105-Y110 HydrophobicContact CG-CE2 4Å; F105-Y110 AromaticContact CZ-CE2 3.9Å; F105-Y110 HydrophobicContact CZ-CE2 3.9Å; F105-P116 HydrophobicContact CD1-CB 3.65Å; F105-P116 HydrophobicContact CD1-CG 3.92Å; F105-P116 HydrophobicContact CE1-CB 3.74Å; F105-P116 HydrophobicContact CE1-CG 3.61Å; F105-P116 HydrophobicContact CG-CB 4.2Å; F105-P116 HydrophobicContact CZ-CB 4.36Å; F105-P116 HydrophobicContact CZ-CG 4.35Å; F105-W147 AromaticContact CD1-CH2 3.69Å; F105-W147 HydrophobicContact CD1-CH2 3.69Å; F105-W147 HydrophobicContact CD1-CZ3 4.33Å; F105-W147 AromaticContact CE1-CH2 3.63Å; F105-W147 HydrophobicContact CE1-CH2 3.63Å; F105-W147 AromaticContact CE1-CZ3 3.8Å; F105-W147 HydrophobicContact CE1-CZ3 3.8Å; F105-F278 HydrophobicContact CE1-CD1 4.14Å; F105-F278 AromaticContact CE1-CE1 3.96Å; F105-F278 HydrophobicContact CE1-CE1 3.96Å; F105-F278 HydrophobicContact CZ-CD1 4.08Å; F105-F278 AromaticContact CZ-CE1 3.92Å; F105-F278 HydrophobicContact CZ-CE1 3.92Å; F105-L279 HydrophobicContact CE2-CD2 3.81Å; F105-L279 HydrophobicContact CZ-CD2 3.76Å
106	S	92.8	Very high	92.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.5	158.4	157.5	0	0	0	0	109.9	D70 Q109 Y110	D70-S106 VanDerWaalsContact CG-OG 3.31Å; D70-S106 WeakPolarHBondContact O-CA 3.38Å; D70-S106 PolarHBondContact OD1-OG 2.96Å; D70-S106 PolarHBondContact OD2-OG 2.95Å; S106-Q109 VanDerWaalsContact OG-CB 3.27Å; S106-Q109 WeakPolarHBondContact OG-CB 3.34Å; S106-Q109 WeakPolarHBondContact OG-CG 3.21Å; S106-Q109 PolarHBondContact OG-N 2.82Å; S106-Y110 WeakPolarHBondContact O-CA 3.4Å; S106-Y110 PolarHBondContact O-N 3.48Å
107	L	91.1	Very high	93	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-43.1	-178.3	178.5	64.6	0	0	0	111.8	L39 R41 H42 E65 D70 V72	L39-L107 HydrophobicContact CB-CD2 4.03Å; L39-L107 WeakPolarHBondContact O-CD2 3.43Å; R41-L107 HydrophobicContact CB-CD1 3.83Å; R41-L107 HydrophobicContact CG-CD1 3.75Å; H42-L107 PolarHBondContact N-O 3.27Å; E65-L107 HydrophobicContact CG-CD1 4.19Å; E65-L107 WeakPolarHBondContact OE1-CD1 3.42Å; D70-L107 PolarHBondContact O-N 3.37Å; D70-L107 VanDerWaalsContact O-N 3.07Å; D70-L107 PolarHBondContact OD1-N 2.96Å; V72-L107 HydrophobicContact CB-CB 4.32Å; V72-L107 HydrophobicContact CB-CD1 3.87Å; V72-L107 HydrophobicContact CG1-CB 4.35Å; V72-L107 HydrophobicContact CG1-CD1 4.18Å; V72-L107 HydrophobicContact CG2-CD1 4.26Å
108	S	90.6	Very high	93.2	Very high	41 Å²	41	33.8 Å²	33.8	29%	0.287	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-26.5	-176.1	63.8	0	0	0	0	114.6	H42 D70	H42-S108 WeakPolarHBondContact CB-O 3.1Å; H42-S108 PolarHBondContact CD2-O 3.46Å; D70-S108 VanDerWaalsContact OD1-CB 3.24Å; D70-S108 WeakPolarHBondContact OD1-CB 3.5Å; D70-S108 PolarHBondContact OD1-N 3.36Å; D70-S108 PolarHBondContact OD1-OG 2.95Å; D70-S108 PolarHBondContact OD2-OG 3.42Å
109	Q	90.6	Very high	93.3	Very high	94 Å²	94	33.8 Å²	33.8	44%	0.439	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-22.6	-175.8	-52.1	175.7	19.1	0	0	113.2	S106 L111 D112 N152	S106-Q109 VanDerWaalsContact OG-CB 3.27Å; S106-Q109 WeakPolarHBondContact OG-CB 3.34Å; S106-Q109 WeakPolarHBondContact OG-CG 3.21Å; S106-Q109 PolarHBondContact OG-N 2.82Å; Q109-L111 PolarHBondContact O-N 3.42Å; Q109-D112 PolarHBondContact O-N 3.15Å; Q109-N152 PolarHBondContact O-ND2 2.72Å
110	Y	93.3	Very high	93.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	45.7	-104.4	-179.1	-174.8	-137.6	0	0	0	114.5	Q44 L45 D48 F105 S106 G113 W147 N152	Q44-Y110 HydrophobicContact CB-CD1 4.09Å; Q44-Y110 HydrophobicContact CB-CE1 4.47Å; Q44-Y110 HydrophobicContact CG-CD1 4.08Å; Q44-Y110 HydrophobicContact CG-CE1 4.04Å; L45-Y110 HydrophobicContact CB-CD1 3.83Å; L45-Y110 HydrophobicContact CB-CD2 4Å; L45-Y110 HydrophobicContact CB-CE1 4.2Å; L45-Y110 HydrophobicContact CB-CE2 4.38Å; L45-Y110 HydrophobicContact CB-CG 3.74Å; L45-Y110 HydrophobicContact CD1-CD2 3.87Å; L45-Y110 HydrophobicContact CD1-CE2 3.61Å; L45-Y110 HydrophobicContact CD1-CG 4.47Å; L45-Y110 HydrophobicContact CD2-CD2 4.3Å; L45-Y110 HydrophobicContact CG-CD2 4.27Å; L45-Y110 HydrophobicContact CG-CE2 4.46Å; L45-Y110 HydrophobicContact CG-CG 4.49Å; D48-Y110 HydrophobicContact CB-CE1 4.34Å; D48-Y110 PolarHBondContact OD2-OH 3.15Å; D48-Y110 VanDerWaalsContact OD2-OH 3.09Å; F105-Y110 HydrophobicContact CB-CD2 4.2Å; F105-Y110 AromaticContact CD1-CD2 3.77Å; F105-Y110 HydrophobicContact CD1-CD2 3.77Å; F105-Y110 AromaticContact CD1-CE2 3.7Å; F105-Y110 HydrophobicContact CD1-CE2 3.7Å; F105-Y110 HydrophobicContact CD2-CE2 4.24Å; F105-Y110 HydrophobicContact CE1-CD2 4.19Å; F105-Y110 AromaticContact CE1-CE2 3.64Å; F105-Y110 HydrophobicContact CE1-CE2 3.64Å; F105-Y110 HydrophobicContact CE2-CE2 4.19Å; F105-Y110 AromaticContact CG-CD2 3.93Å; F105-Y110 HydrophobicContact CG-CD2 3.93Å; F105-Y110 HydrophobicContact CG-CE2 4Å; F105-Y110 AromaticContact CZ-CE2 3.9Å; F105-Y110 HydrophobicContact CZ-CE2 3.9Å; S106-Y110 WeakPolarHBondContact O-CA 3.4Å; S106-Y110 PolarHBondContact O-N 3.48Å; Y110-G113 PolarHBondContact O-N 2.83Å; Y110-W147 WeakPolarHBondContact O-CZ2 3.31Å; Y110-N152 WeakPolarHBondContact CD1-OD1 3.35Å
111	L	92.8	Very high	93.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.6	-178.7	-63	-179.9	0	0	0	114.4	Q109 G113 W147 L150 L155 F278	Q109-L111 PolarHBondContact O-N 3.42Å; L111-G113 VanDerWaalsContact C-N 3.26Å; L111-W147 HydrophobicContact CD2-CE3 4.48Å; L111-W147 HydrophobicContact CD2-CH2 3.52Å; L111-W147 HydrophobicContact CD2-CZ2 4.44Å; L111-W147 HydrophobicContact CD2-CZ3 3.53Å; L111-L150 HydrophobicContact CD2-CD1 4.48Å; L111-L155 HydrophobicContact CD1-CD1 3.38Å; L111-L155 HydrophobicContact CD1-CG 3.87Å; L111-F278 HydrophobicContact CD2-CB 4.23Å; L111-F278 HydrophobicContact CD2-CD1 4.3Å; L111-F278 HydrophobicContact CD2-CG 4.39Å
112	D	93	Very high	92.9	Very high	88 Å²	88	35.5 Å²	35.5	47%	0.471	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.2	177.4	-55.4	-28.2	0	0	0	111.5	Q109 S151 N152	Q109-D112 PolarHBondContact O-N 3.15Å; D112-S151 WeakPolarHBondContact OD1-CA 3.42Å; D112-S151 WeakPolarHBondContact OD1-CB 3.05Å; D112-N152 PolarHBondContact OD1-N 2.86Å; D112-N152 WeakPolarHBondContact OD2-CB 3.09Å; D112-N152 PolarHBondContact OD2-ND2 2.77Å
113	G	90.2	Very high	92.5	Very high	11 Å²	11	35.4 Å²	35.4	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	-84	-172.5	175.8	0	0	0	0	0	114.3	Y110 L111 W147	Y110-G113 PolarHBondContact O-N 2.83Å; L111-G113 VanDerWaalsContact C-N 3.26Å; G113-W147 PolarHBondContact O-NE1 3.34Å
114	P	93	Very high	91.9	Very high	87 Å²	87	39.5 Å²	39.5	57%	0.565	22%	0.221	S	C	*	.	S	Bend	trans	-61.6	152.5	177.5	27.1	-35	0	0	0	112.2
115	E	93.2	Very high	90.9	Very high	96 Å²	96	36.3 Å²	36.3	45%	0.449	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-57.6	127.8	177.6	-173.1	-174.9	147.1	0	0	110.7	T143 S144 W147	E115-T143 HydrophobicContact CG-CG2 4.22Å; E115-S144 VanDerWaalsContact OE1-CA 3.25Å; E115-S144 WeakPolarHBondContact OE1-CA 3.48Å; E115-S144 WeakPolarHBondContact OE1-CB 3.49Å; E115-S144 PolarHBondContact OE1-N 2.91Å; E115-S144 PolarHBondContact OE1-OG 3.02Å; E115-W147 HydrophobicContact CB-CG 4.27Å; E115-W147 HydrophobicContact CG-CB 4.29Å; E115-W147 HydrophobicContact CG-CG 4.08Å
116	P	94.1	Very high	89.5	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.8	136.7	-170.2	29.7	-36.6	0	0	0	111.7	R104 F105 T143 W147	R104-P116 WeakPolarHBondContact O-CA 3.41Å; R104-P116 WeakPolarHBondContact O-CB 3.35Å; F105-P116 HydrophobicContact CD1-CB 3.65Å; F105-P116 HydrophobicContact CD1-CG 3.92Å; F105-P116 HydrophobicContact CE1-CB 3.74Å; F105-P116 HydrophobicContact CE1-CG 3.61Å; F105-P116 HydrophobicContact CG-CB 4.2Å; F105-P116 HydrophobicContact CZ-CB 4.36Å; F105-P116 HydrophobicContact CZ-CG 4.35Å; P116-T143 HydrophobicContact CG-CG2 3.73Å; P116-W147 HydrophobicContact CG-CE3 4.03Å; P116-W147 HydrophobicContact CG-CH2 3.91Å; P116-W147 HydrophobicContact CG-CZ2 4.41Å; P116-W147 HydrophobicContact CG-CZ3 3.7Å
117	S	94.3	Very high	87.9	Confident	57 Å²	57	53.9 Å²	53.9	40%	0.399	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140	172.7	73.1	0	0	0	0	110.8	L103 R104	L103-S117 WeakPolarHBondContact CA-O 3.48Å; R104-S117 WeakPolarHBondContact CB-OG 3.4Å; R104-S117 WeakPolarHBondContact CD-OG 3.26Å; R104-S117 VanDerWaalsContact CG-OG 3.26Å; R104-S117 WeakPolarHBondContact CG-OG 3.37Å; R104-S117 PolarHBondContact N-O 3.25Å; R104-S117 VanDerWaalsContact N-O 3.11Å; R104-S117 PolarHBondContact NE-OG 3.09Å; R104-S117 PolarHBondContact O-N 3.13Å
118	V	95	Very high	86.4	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.4	-176.2	-176.7	0	0	0	0	110.4	L101 R102 L103 K136 L139 T143	L101-V118 HydrophobicContact CD1-CG1 3.59Å; R102-V118 WeakPolarHBondContact O-CA 3.32Å; L103-V118 HydrophobicContact CD2-CB 4.35Å; L103-V118 HydrophobicContact CD2-CG1 4.17Å; L103-V118 HydrophobicContact CD2-CG2 3.8Å; V118-K136 WeakPolarHBondContact O-CD 3.42Å; V118-K136 WeakPolarHBondContact O-CE 3.49Å; V118-K136 PolarHBondContact O-NZ 2.96Å; V118-L139 HydrophobicContact CG1-CB 3.98Å; V118-T143 HydrophobicContact CG2-CG2 4.37Å
119	D	92.9	Very high	85.3	Confident	36 Å²	36	52.9 Å²	52.9	19%	0.193	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.4	174.5	-76.6	-42.5	0	0	0	111.2	L101 R102 R104 K136	L101-D119 WeakPolarHBondContact CA-O 3.37Å; R102-D119 HydrophobicContact CB-CB 4.08Å; R102-D119 PolarHBondContact N-O 3.17Å; R102-D119 PolarHBondContact O-N 3.5Å; R104-D119 IonicContact CZ-OD2 3.67Å; R104-D119 IonicContact NE-OD2 2.72Å; R104-D119 IonicContact NH2-OD2 3.61Å; R104-D119 PolarHBondContact NH2-OD2 3.37Å; D119-K136 IonicContact OD1-NZ 3.92Å; D119-K136 PolarHBondContact OD1-NZ 2.96Å
120	V	92.3	Very high	84	Confident	14 Å²	14	48.8 Å²	48.8	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.9	-179.3	179.3	0	0	0	0	109.4	I99 I100 L101 F129 L135 K136 L139	I99-V120 HydrophobicContact CG2-CG1 3.61Å; I100-V120 WeakPolarHBondContact O-CA 3.4Å; L101-V120 HydrophobicContact CD1-CG2 4.08Å; V120-F129 HydrophobicContact CG1-CZ 4.45Å; V120-L135 HydrophobicContact CG1-CB 4.47Å; V120-L135 HydrophobicContact CG1-CD2 4.04Å; V120-L135 HydrophobicContact CG1-CG 4.47Å; V120-L135 HydrophobicContact CG2-CG 4.49Å; V120-K136 HydrophobicContact CB-CB 4.07Å; V120-K136 HydrophobicContact CG2-CB 3.81Å; V120-L139 HydrophobicContact CG2-CD1 4.36Å
121	F	91.3	Very high	83	Confident	33 Å²	33	48.8 Å²	48.8	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	174.4	-178	61.8	-82.8	0	0	0	111.9	I100 R102	I100-F121 HydrophobicContact CB-CD2 4.39Å; I100-F121 HydrophobicContact CB-CE1 4.09Å; I100-F121 HydrophobicContact CB-CE2 3.94Å; I100-F121 HydrophobicContact CB-CZ 3.76Å; I100-F121 HydrophobicContact CD1-CE2 3.77Å; I100-F121 HydrophobicContact CD1-CZ 4.1Å; I100-F121 HydrophobicContact CG1-CE2 4.4Å; I100-F121 HydrophobicContact CG2-CE1 3.75Å; I100-F121 HydrophobicContact CG2-CE2 4.13Å; I100-F121 HydrophobicContact CG2-CZ 3.46Å; I100-F121 VanDerWaalsContact CG2-CZ 3.46Å; I100-F121 PolarHBondContact N-O 2.98Å; I100-F121 PolarHBondContact O-N 2.66Å; I100-F121 VanDerWaalsContact O-N 3.09Å; R102-F121 HydrophobicContact CB-CE1 3.98Å
122	Q	89.3	Confident	82.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-115.6	149.4	163	-65	-160.8	-82.9	0	0	109.7	I94 E97 P98 I99 S124 N125 F129	I94-Q122 PolarHBondContact O-NE2 3.05Å; E97-Q122 PolarHBondContact O-NE2 3.27Å; E97-Q122 VanDerWaalsContact O-NE2 3.1Å; P98-Q122 PolarHBondContact O-NE2 2.84Å; I99-Q122 HydrophobicContact CG1-CG 4.38Å; Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 2.75Å; Q122-N125 HydrophobicContact CB-CB 4.39Å; Q122-N125 PolarHBondContact N-O 3.15Å; Q122-N125 CarbonylContact O-C 3.56Å; Q122-N125 PolarHBondContact O-N 3.34Å; Q122-N125 VanDerWaalsContact O-O 3.09Å; Q122-F129 HydrophobicContact CG-CD1 4.36Å; Q122-F129 HydrophobicContact CG-CE1 3.82Å; Q122-F129 HydrophobicContact CG-CZ 4.37Å
123	P	86.8	Confident	81.9	Confident	53 Å²	53	48.3 Å²	48.3	34%	0.344	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-46.7	-179.4	-29.4	33.9	0	0	0	114.7	E97 I100 K126	E97-P123 WeakPolarHBondContact OE2-CD 3.27Å; I100-P123 HydrophobicContact CD1-CG 3.8Å; P123-K126 WeakPolarHBondContact O-CE 3.17Å
124	S	83.9	Confident	81.7	Confident	86 Å²	86	47.9 Å²	47.9	60%	0.601	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.1	179.9	-59.4	0	0	0	0	114.2	E97 Q122	E97-S124 VanDerWaalsContact CD-OG 3.31Å; E97-S124 WeakPolarHBondContact OE1-CB 3.43Å; E97-S124 PolarHBondContact OE1-OG 3.09Å; E97-S124 WeakPolarHBondContact OE2-CB 3.43Å; E97-S124 PolarHBondContact OE2-N 3.13Å; E97-S124 PolarHBondContact OE2-OG 3.06Å; Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 2.75Å
125	N	75.2	Confident	81.5	Confident	40 Å²	40	43.8 Å²	43.8	21%	0.214	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-128.5	83.6	175.7	-171.5	2.5	0	0	0	111.5	Q122 G128	Q122-N125 HydrophobicContact CB-CB 4.39Å; Q122-N125 PolarHBondContact N-O 3.15Å; Q122-N125 CarbonylContact O-C 3.56Å; Q122-N125 PolarHBondContact O-N 3.34Å; Q122-N125 VanDerWaalsContact O-O 3.09Å; N125-G128 PolarHBondContact ND2-O 2.96Å; N125-G128 VanDerWaalsContact ND2-O 3.08Å; N125-G128 PolarHBondContact OD1-O 3.47Å; N125-G128 VanDerWaalsContact OD1-O 3.13Å
126	K	63.8	Low	81.4	Confident	173 Å²	173	42.6 Å²	42.6	75%	0.752	23%	0.229	S	C	*	.			trans	-86.1	-19.9	-176.8	-64.7	-177.1	-179.1	176.7	0	114.7	P123 G128	P123-K126 WeakPolarHBondContact O-CE 3.17Å; K126-G128 PolarHBondContact O-N 3.11Å
127	E	58.5	Low	81.2	Confident	202 Å²	202	45.7 Å²	45.7	94%	0.944	24%	0.242	S	C	*	.	S	Bend	trans	-75.9	-5.5	174.4	-61	-161.7	163.5	0	0	112.3
128	G	60.4	Low	81.1	Confident	23 Å²	23	43.4 Å²	43.4	24%	0.237	23%	0.226	C	C	.	.			trans	94.7	168.7	179.7	0	0	0	0	0	112	N125 K126	N125-G128 PolarHBondContact ND2-O 2.96Å; N125-G128 VanDerWaalsContact ND2-O 3.08Å; N125-G128 PolarHBondContact OD1-O 3.47Å; N125-G128 VanDerWaalsContact OD1-O 3.13Å; K126-G128 PolarHBondContact O-N 3.11Å
129	F	67.2	Low	81	Confident	3 Å²	3	43 Å²	43	1%	0.013	22%	0.223	C	C	.	.			trans	-135.8	155.9	174.8	54.8	-80.1	0	0	0	108.7	V93 I99 V120 Q122 L131 G132 L133	V93-F129 HydrophobicContact CG1-CD2 3.26Å; V93-F129 HydrophobicContact CG1-CE2 3.23Å; V93-F129 HydrophobicContact CG1-CG 3.98Å; V93-F129 HydrophobicContact CG1-CZ 3.95Å; I99-F129 HydrophobicContact CD1-CE2 4.11Å; I99-F129 HydrophobicContact CD1-CZ 3.82Å; I99-F129 HydrophobicContact CG1-CZ 3.95Å; I99-F129 HydrophobicContact CG2-CZ 4.24Å; V120-F129 HydrophobicContact CG1-CZ 4.45Å; Q122-F129 HydrophobicContact CG-CD1 4.36Å; Q122-F129 HydrophobicContact CG-CE1 3.82Å; Q122-F129 HydrophobicContact CG-CZ 4.37Å; F129-L131 VanDerWaalsContact C-N 3.27Å; F129-L131 HydrophobicContact CD2-CB 3.81Å; F129-L131 HydrophobicContact CE2-CB 3.84Å; F129-L131 HydrophobicContact CE2-CD2 4.22Å; F129-L131 PolarHBondContact O-N 3.4Å; F129-L131 VanDerWaalsContact O-N 3.11Å; F129-G132 WeakPolarHBondContact O-CA 3.45Å; F129-G132 PolarHBondContact O-N 2.83Å; F129-L133 PolarHBondContact O-N 3.2Å
130	S	63.3	Low	81.1	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-47.2	-46.2	-171.8	56.3	0	0	0	0	114.9	W91 A335	W91-S130 PolarHBondContact O-OG 2.94Å; S130-A335 WeakPolarHBondContact CB-O 3.24Å; S130-A335 WeakPolarHBondContact O-CB 3.28Å
131	L	71.8	Confident	81.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.7	-34.7	177.8	-168.3	90.7	0	0	0	112.7	W91 F129 L133 Q134 L135 L293 P314	W91-L131 HydrophobicContact CB-CB 4.47Å; W91-L131 HydrophobicContact CD2-CD1 3.81Å; W91-L131 HydrophobicContact CD2-CD2 3.97Å; W91-L131 HydrophobicContact CD2-CG 4.37Å; W91-L131 HydrophobicContact CE3-CD1 3.94Å; W91-L131 HydrophobicContact CE3-CD2 3.35Å; W91-L131 HydrophobicContact CE3-CG 4.2Å; W91-L131 HydrophobicContact CG-CD1 4.3Å; W91-L131 HydrophobicContact CH2-CD1 4.26Å; W91-L131 HydrophobicContact CZ2-CD1 4.18Å; W91-L131 HydrophobicContact CZ3-CD1 4.14Å; W91-L131 HydrophobicContact CZ3-CD2 3.65Å; F129-L131 VanDerWaalsContact C-N 3.27Å; F129-L131 HydrophobicContact CD2-CB 3.81Å; F129-L131 HydrophobicContact CE2-CB 3.84Å; F129-L131 HydrophobicContact CE2-CD2 4.22Å; F129-L131 PolarHBondContact O-N 3.4Å; F129-L131 VanDerWaalsContact O-N 3.11Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 3.44Å; L131-Q134 PolarHBondContact O-N 3.08Å; L131-Q134 VanDerWaalsContact O-N 3.16Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 PolarHBondContact O-N 3.06Å; L131-L293 HydrophobicContact CD1-CB 3.83Å; L131-L293 HydrophobicContact CD1-CD1 3.62Å; L131-L293 HydrophobicContact CD1-CG 4.37Å; L131-L293 HydrophobicContact CD2-CD1 3.94Å; L131-L293 HydrophobicContact CG-CD1 3.57Å; L131-P314 HydrophobicContact CD1-CG 4.33Å
132	G	80.9	Confident	81.3	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-37.1	-179.8	0	0	0	0	0	112.2	F129 L135 K136	F129-G132 WeakPolarHBondContact O-CA 3.45Å; F129-G132 PolarHBondContact O-N 2.83Å; G132-L135 PolarHBondContact O-N 3.36Å; G132-K136 VanDerWaalsContact O-CB 3.26Å; G132-K136 WeakPolarHBondContact O-CB 3.49Å; G132-K136 PolarHBondContact O-N 3.11Å
133	L	82.3	Confident	81.5	Confident	78 Å²	78	44.3 Å²	44.3	41%	0.408	24%	0.236	S	C	.	.	H	α-helix	trans	-65.3	-41.4	173.9	-168.9	67.5	0	0	0	112	F129 L131 K137 M332 A335	F129-L133 PolarHBondContact O-N 3.2Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 3.44Å; L133-K137 PolarHBondContact O-N 3.34Å; L133-K137 VanDerWaalsContact O-N 3.14Å; L133-M332 HydrophobicContact CB-CE 4.22Å; L133-M332 HydrophobicContact CD2-CE 4.09Å; L133-M332 HydrophobicContact CD2-SD 4.27Å; L133-M332 HydrophobicContact CG-CE 3.76Å; L133-M332 HydrophobicContact CG-SD 4.23Å; L133-A335 HydrophobicContact CD2-CB 4.47Å
134	Q	85.6	Confident	81.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-46.8	175	-176.2	-178.2	1.1	0	0	111.3	L131 K137 I138 L293 Y296 V298 M332	L131-Q134 PolarHBondContact O-N 3.08Å; L131-Q134 VanDerWaalsContact O-N 3.16Å; Q134-K137 PolarHBondContact O-N 2.95Å; Q134-I138 HydrophobicContact CG-CD1 3.83Å; Q134-I138 WeakPolarHBondContact O-CG1 3.45Å; Q134-I138 PolarHBondContact O-N 3.07Å; Q134-L293 HydrophobicContact CG-CD2 4.37Å; Q134-L293 PolarHBondContact NE2-O 2.84Å; Q134-Y296 PolarHBondContact NE2-O 2.87Å; Q134-V298 HydrophobicContact CG-CG1 4.35Å; Q134-M332 HydrophobicContact CB-CE 4.14Å
135	L	88.8	Confident	82.3	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-47.5	178.4	-176.1	61.1	0	0	0	111	I99 V120 L131 G132 K137 I138 L139 R289 I290 L293	I99-L135 HydrophobicContact CG2-CD2 4.25Å; V120-L135 HydrophobicContact CG1-CB 4.47Å; V120-L135 HydrophobicContact CG1-CD2 4.04Å; V120-L135 HydrophobicContact CG1-CG 4.47Å; V120-L135 HydrophobicContact CG2-CG 4.49Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 PolarHBondContact O-N 3.06Å; G132-L135 PolarHBondContact O-N 3.36Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 3.07Å; L135-I138 PolarHBondContact O-N 3.44Å; L135-I138 VanDerWaalsContact O-N 3.15Å; L135-L139 HydrophobicContact CD1-CD1 3.78Å; L135-L139 HydrophobicContact CD1-CD2 4.3Å; L135-L139 HydrophobicContact CD1-CG 3.84Å; L135-L139 HydrophobicContact CD2-CD1 4.35Å; L135-L139 HydrophobicContact CG-CD1 3.71Å; L135-L139 HydrophobicContact CG-CG 4.14Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.2Å; L135-L139 PolarHBondContact O-N 3.44Å; L135-R289 HydrophobicContact CD1-CB 4.46Å; L135-I290 HydrophobicContact CD1-CG1 4.16Å; L135-I290 HydrophobicContact CD2-CD1 3.93Å; L135-I290 HydrophobicContact CD2-CG1 3.79Å; L135-L293 HydrophobicContact CB-CD1 4.12Å; L135-L293 HydrophobicContact CD1-CD1 4.31Å
136	K	91.3	Very high	83.2	Confident	71 Å²	71	43.6 Å²	43.6	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-50.5	-52.6	174.2	174.1	166.2	172.1	158.6	0	111.1	V118 D119 V120 G132 I138 L139 S140	V118-K136 WeakPolarHBondContact O-CD 3.42Å; V118-K136 WeakPolarHBondContact O-CE 3.49Å; V118-K136 PolarHBondContact O-NZ 2.96Å; D119-K136 IonicContact OD1-NZ 3.92Å; D119-K136 PolarHBondContact OD1-NZ 2.96Å; V120-K136 HydrophobicContact CB-CB 4.07Å; V120-K136 HydrophobicContact CG2-CB 3.81Å; G132-K136 VanDerWaalsContact O-CB 3.26Å; G132-K136 WeakPolarHBondContact O-CB 3.49Å; G132-K136 PolarHBondContact O-N 3.11Å; K136-I138 PolarHBondContact O-N 3.08Å; K136-L139 PolarHBondContact O-N 3.42Å; K136-S140 WeakPolarHBondContact O-CB 3.42Å; K136-S140 PolarHBondContact O-N 2.97Å; K136-S140 PolarHBondContact O-OG 3.13Å
137	K	89.9	Confident	84.6	Confident	69 Å²	69	36.8 Å²	36.8	30%	0.3	19%	0.191	S	C	.	.	H	α-helix	trans	-60.5	-41.7	180	179.1	172.4	174.5	177	0	113.4	L133 Q134 L135 T141 V299 M332	L133-K137 PolarHBondContact O-N 3.34Å; L133-K137 VanDerWaalsContact O-N 3.14Å; Q134-K137 PolarHBondContact O-N 2.95Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 3.07Å; K137-T141 WeakPolarHBondContact O-CB 3.37Å; K137-T141 PolarHBondContact O-N 2.61Å; K137-T141 PolarHBondContact O-OG1 2.91Å; K137-V299 WeakPolarHBondContact CE-O 3.48Å; K137-V299 PolarHBondContact NZ-O 2.8Å; K137-M332 HydrophobicContact CD-CE 4.25Å; K137-M332 HydrophobicContact CD-SD 3.66Å
138	I	92.1	Very high	86.1	Confident	10 Å²	10	34.6 Å²	34.6	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-44.1	178	-71.4	164.2	0	0	0	110.6	Q134 L135 K136 T141 F142 Y285 R289 L293 D301	Q134-I138 HydrophobicContact CG-CD1 3.83Å; Q134-I138 WeakPolarHBondContact O-CG1 3.45Å; Q134-I138 PolarHBondContact O-N 3.07Å; L135-I138 PolarHBondContact O-N 3.44Å; L135-I138 VanDerWaalsContact O-N 3.15Å; K136-I138 PolarHBondContact O-N 3.08Å; I138-T141 PolarHBondContact O-N 2.84Å; I138-F142 WeakPolarHBondContact O-CB 3.18Å; I138-F142 PolarHBondContact O-N 3.26Å; I138-Y285 HydrophobicContact CG2-CE1 3.96Å; I138-R289 HydrophobicContact CG2-CG 4.04Å; I138-L293 HydrophobicContact CD1-CD2 3.33Å; I138-D301 WeakPolarHBondContact CD1-OD1 3.49Å; I138-D301 HydrophobicContact CG1-CB 4.26Å
139	L	94.4	Very high	87.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.8	-39.6	-179.8	-64.9	-179.3	0	0	0	112.2	L101 V118 V120 L135 K136 T141 F142 T143 I282 Y285 S286	L101-L139 HydrophobicContact CD1-CD1 3.62Å; L101-L139 HydrophobicContact CD2-CD1 3.91Å; L101-L139 HydrophobicContact CG-CD1 4.33Å; V118-L139 HydrophobicContact CG1-CB 3.98Å; V120-L139 HydrophobicContact CG2-CD1 4.36Å; L135-L139 HydrophobicContact CD1-CD1 3.78Å; L135-L139 HydrophobicContact CD1-CD2 4.3Å; L135-L139 HydrophobicContact CD1-CG 3.84Å; L135-L139 HydrophobicContact CD2-CD1 4.35Å; L135-L139 HydrophobicContact CG-CD1 3.71Å; L135-L139 HydrophobicContact CG-CG 4.14Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.2Å; L135-L139 PolarHBondContact O-N 3.44Å; K136-L139 PolarHBondContact O-N 3.42Å; L139-T141 PolarHBondContact O-N 2.87Å; L139-F142 PolarHBondContact O-N 2.82Å; L139-T143 WeakPolarHBondContact O-CB 3.46Å; L139-T143 PolarHBondContact O-N 2.87Å; L139-T143 PolarHBondContact O-OG1 2.88Å; L139-I282 HydrophobicContact CD2-CG1 4.2Å; L139-Y285 HydrophobicContact CD2-CD1 3.77Å; L139-Y285 HydrophobicContact CD2-CE1 4.25Å; L139-S286 WeakPolarHBondContact CD1-OG 3.09Å; L139-S286 VanDerWaalsContact CD2-OG 3.31Å; L139-S286 WeakPolarHBondContact CD2-OG 3.24Å
140	S	94.4	Very high	88.6	Confident	37 Å²	37	41.2 Å²	41.2	26%	0.259	20%	0.203	S	C	.	.	H	α-helix	trans	-56.1	-50.5	168.2	-56.3	0	0	0	0	110.8	K136 F142 T143 S144	K136-S140 WeakPolarHBondContact O-CB 3.42Å; K136-S140 PolarHBondContact O-N 2.97Å; K136-S140 PolarHBondContact O-OG 3.13Å; S140-F142 VanDerWaalsContact C-N 3.3Å; S140-F142 PolarHBondContact O-N 3.3Å; S140-T143 WeakPolarHBondContact O-CB 3.05Å; S140-T143 PolarHBondContact O-N 2.86Å; S140-S144 PolarHBondContact O-N 3.21Å; S140-S144 PolarHBondContact O-OG 3.18Å
141	T	92.9	Very high	90	Very high	68 Å²	68	42.4 Å²	42.4	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-38.9	-179.7	-54.1	0	0	0	0	112.3	K137 I138 L139 Q145	K137-T141 WeakPolarHBondContact O-CB 3.37Å; K137-T141 PolarHBondContact O-N 2.61Å; K137-T141 PolarHBondContact O-OG1 2.91Å; I138-T141 PolarHBondContact O-N 2.84Å; L139-T141 PolarHBondContact O-N 2.87Å; T141-Q145 VanDerWaalsContact O-CG 3.25Å; T141-Q145 WeakPolarHBondContact O-CG 3.43Å; T141-Q145 PolarHBondContact O-N 2.98Å
142	F	94.4	Very high	90.9	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.022	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-49.8	174.2	170.6	-92.6	0	0	0	111.3	I138 L139 S140 Q145 Q146 I271 F278 Q281 I282 Y285	I138-F142 WeakPolarHBondContact O-CB 3.18Å; I138-F142 PolarHBondContact O-N 3.26Å; L139-F142 PolarHBondContact O-N 2.82Å; S140-F142 VanDerWaalsContact C-N 3.3Å; S140-F142 PolarHBondContact O-N 3.3Å; F142-Q145 WeakPolarHBondContact O-CB 3.42Å; F142-Q145 PolarHBondContact O-N 3.48Å; F142-Q146 HydrophobicContact CD1-CG 4.22Å; F142-Q146 HydrophobicContact CD2-CG 4.31Å; F142-Q146 HydrophobicContact CE1-CG 3.8Å; F142-Q146 HydrophobicContact CE2-CG 3.91Å; F142-Q146 HydrophobicContact CG-CG 4.46Å; F142-Q146 HydrophobicContact CZ-CG 3.64Å; F142-Q146 WeakPolarHBondContact O-CG 3.38Å; F142-Q146 PolarHBondContact O-N 3.19Å; F142-I271 HydrophobicContact CE2-CG1 4.17Å; F142-I271 HydrophobicContact CE2-CG2 4.12Å; F142-F278 HydrophobicContact CE1-CE2 4.29Å; F142-Q281 HydrophobicContact CZ-CG 4.17Å; F142-I282 HydrophobicContact CD1-CD1 4.28Å; F142-I282 HydrophobicContact CD1-CG1 4.02Å; F142-I282 HydrophobicContact CE1-CB 3.98Å; F142-I282 HydrophobicContact CE1-CG1 3.96Å; F142-Y285 HydrophobicContact CB-CD1 4.02Å; F142-Y285 HydrophobicContact CB-CE1 3.62Å; F142-Y285 HydrophobicContact CD1-CD1 4.01Å; F142-Y285 HydrophobicContact CD1-CE1 4.47Å; F142-Y285 AromaticContact CD2-CD1 3.46Å; F142-Y285 HydrophobicContact CD2-CD1 3.46Å; F142-Y285 VanDerWaalsContact CD2-CD1 3.46Å; F142-Y285 HydrophobicContact CD2-CD2 4.21Å; F142-Y285 AromaticContact CD2-CE1 3.44Å; F142-Y285 HydrophobicContact CD2-CE1 3.44Å; F142-Y285 VanDerWaalsContact CD2-CE1 3.44Å; F142-Y285 HydrophobicContact CD2-CE2 4.17Å; F142-Y285 AromaticContact CD2-CG 3.86Å; F142-Y285 HydrophobicContact CD2-CG 3.86Å; F142-Y285 AromaticContact CD2-CZ 3.8Å; F142-Y285 HydrophobicContact CE1-CD1 4.36Å; F142-Y285 AromaticContact CE2-CD1 3.83Å; F142-Y285 HydrophobicContact CE2-CD1 3.83Å; F142-Y285 HydrophobicContact CE2-CD2 4.07Å; F142-Y285 HydrophobicContact CE2-CE1 4.2Å; F142-Y285 HydrophobicContact CE2-CE2 4.4Å; F142-Y285 AromaticContact CE2-CG 3.75Å; F142-Y285 HydrophobicContact CE2-CG 3.75Å; F142-Y285 AromaticContact CG-CD1 3.55Å; F142-Y285 HydrophobicContact CG-CD1 3.55Å; F142-Y285 AromaticContact CG-CE1 3.59Å; F142-Y285 HydrophobicContact CG-CE1 3.59Å; F142-Y285 HydrophobicContact CG-CG 4.33Å; F142-Y285 HydrophobicContact CZ-CD1 4.27Å; F142-Y285 HydrophobicContact CZ-CG 4.16Å
143	T	94.6	Very high	91.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-54.2	176.3	-64.9	0	0	0	0	110.8	E115 P116 V118 L139 S140 Q145 Q146 W147 F278 I282	E115-T143 HydrophobicContact CG-CG2 4.22Å; P116-T143 HydrophobicContact CG-CG2 3.73Å; V118-T143 HydrophobicContact CG2-CG2 4.37Å; L139-T143 WeakPolarHBondContact O-CB 3.46Å; L139-T143 PolarHBondContact O-N 2.87Å; L139-T143 PolarHBondContact O-OG1 2.88Å; S140-T143 WeakPolarHBondContact O-CB 3.05Å; S140-T143 PolarHBondContact O-N 2.86Å; T143-Q145 PolarHBondContact O-N 2.92Å; T143-Q146 PolarHBondContact O-N 3.34Å; T143-Q146 VanDerWaalsContact O-N 3.07Å; T143-W147 HydrophobicContact CG2-CE3 4.47Å; T143-W147 WeakPolarHBondContact O-CB 3.37Å; T143-W147 PolarHBondContact O-N 3.12Å; T143-F278 HydrophobicContact CG2-CZ 4.24Å; T143-I282 WeakPolarHBondContact OG1-CD1 3.49Å
144	S	94.4	Very high	91.5	Very high	36 Å²	36	51 Å²	51	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-20.7	178.2	-40.8	0	0	0	0	114.2	E115 S140 K148	E115-S144 VanDerWaalsContact OE1-CA 3.25Å; E115-S144 WeakPolarHBondContact OE1-CA 3.48Å; E115-S144 WeakPolarHBondContact OE1-CB 3.49Å; E115-S144 PolarHBondContact OE1-N 2.91Å; E115-S144 PolarHBondContact OE1-OG 3.02Å; S140-S144 PolarHBondContact O-N 3.21Å; S140-S144 PolarHBondContact O-OG 3.18Å; S144-K148 WeakPolarHBondContact O-CD 3.25Å; S144-K148 WeakPolarHBondContact O-CE 3.38Å; S144-K148 WeakPolarHBondContact O-CG 3.45Å
145	Q	92.9	Very high	91.5	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-86.3	-40.8	174.6	-74.1	175.5	14.9	0	0	112.3	T141 F142 T143	T141-Q145 VanDerWaalsContact O-CG 3.25Å; T141-Q145 WeakPolarHBondContact O-CG 3.43Å; T141-Q145 PolarHBondContact O-N 2.98Å; F142-Q145 WeakPolarHBondContact O-CB 3.42Å; F142-Q145 PolarHBondContact O-N 3.48Å; T143-Q145 PolarHBondContact O-N 2.92Å
146	Q	92.4	Very high	91.3	Very high	26 Å²	26	56.4 Å²	56.4	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-71.5	-40	176.7	-60.2	-48.5	-85.9	0	0	111.7	F142 T143 K148 H149 L150 F278 Q281	F142-Q146 HydrophobicContact CD1-CG 4.22Å; F142-Q146 HydrophobicContact CD2-CG 4.31Å; F142-Q146 HydrophobicContact CE1-CG 3.8Å; F142-Q146 HydrophobicContact CE2-CG 3.91Å; F142-Q146 HydrophobicContact CG-CG 4.46Å; F142-Q146 HydrophobicContact CZ-CG 3.64Å; F142-Q146 WeakPolarHBondContact O-CG 3.38Å; F142-Q146 PolarHBondContact O-N 3.19Å; T143-Q146 PolarHBondContact O-N 3.34Å; T143-Q146 VanDerWaalsContact O-N 3.07Å; Q146-K148 PolarHBondContact O-N 2.81Å; Q146-K148 VanDerWaalsContact O-N 3.08Å; Q146-H149 PolarHBondContact O-N 2.81Å; Q146-L150 HydrophobicContact CB-CD1 3.86Å; Q146-L150 WeakPolarHBondContact O-CG 3.36Å; Q146-L150 PolarHBondContact O-N 2.93Å; Q146-F278 HydrophobicContact CB-CE2 4.21Å; Q146-Q281 VanDerWaalsContact OE1-NE2 3.07Å
147	W	93.7	Very high	90.9	Very high	30 Å²	30	54.8 Å²	54.8	11%	0.114	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57	-29.7	-175.7	-146.4	-101.3	0	0	0	113.6	F105 Y110 L111 G113 E115 P116 T143 H149 L150 F278	F105-W147 AromaticContact CD1-CH2 3.69Å; F105-W147 HydrophobicContact CD1-CH2 3.69Å; F105-W147 HydrophobicContact CD1-CZ3 4.33Å; F105-W147 AromaticContact CE1-CH2 3.63Å; F105-W147 HydrophobicContact CE1-CH2 3.63Å; F105-W147 AromaticContact CE1-CZ3 3.8Å; F105-W147 HydrophobicContact CE1-CZ3 3.8Å; Y110-W147 WeakPolarHBondContact O-CZ2 3.31Å; L111-W147 HydrophobicContact CD2-CE3 4.48Å; L111-W147 HydrophobicContact CD2-CH2 3.52Å; L111-W147 HydrophobicContact CD2-CZ2 4.44Å; L111-W147 HydrophobicContact CD2-CZ3 3.53Å; G113-W147 PolarHBondContact O-NE1 3.34Å; E115-W147 HydrophobicContact CB-CG 4.27Å; E115-W147 HydrophobicContact CG-CB 4.29Å; E115-W147 HydrophobicContact CG-CG 4.08Å; P116-W147 HydrophobicContact CG-CE3 4.03Å; P116-W147 HydrophobicContact CG-CH2 3.91Å; P116-W147 HydrophobicContact CG-CZ2 4.41Å; P116-W147 HydrophobicContact CG-CZ3 3.7Å; T143-W147 HydrophobicContact CG2-CE3 4.47Å; T143-W147 WeakPolarHBondContact O-CB 3.37Å; T143-W147 PolarHBondContact O-N 3.12Å; W147-H149 PolarHBondContact O-N 2.86Å; W147-H149 VanDerWaalsContact O-N 3.13Å; W147-L150 HydrophobicContact CE3-CD1 4.25Å; W147-L150 PolarHBondContact O-N 2.97Å; W147-F278 HydrophobicContact CE3-CE1 4.4Å; W147-F278 HydrophobicContact CE3-CZ 4.38Å; W147-F278 HydrophobicContact CZ3-CD1 4.11Å; W147-F278 AromaticContact CZ3-CE1 3.84Å; W147-F278 HydrophobicContact CZ3-CE1 3.84Å; W147-F278 HydrophobicContact CZ3-CZ 4.27Å
148	K	90.9	Very high	90.4	Very high	156 Å²	156	54.9 Å²	54.9	68%	0.678	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.5	176.5	-67.3	171.7	-177.8	173.5	0	114.6	S144 Q146	S144-K148 WeakPolarHBondContact O-CD 3.25Å; S144-K148 WeakPolarHBondContact O-CE 3.38Å; S144-K148 WeakPolarHBondContact O-CG 3.45Å; Q146-K148 PolarHBondContact O-N 2.81Å; Q146-K148 VanDerWaalsContact O-N 3.08Å
149	H	89	Confident	89.8	Confident	147 Å²	147	56.8 Å²	56.8	68%	0.681	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-133.1	7.5	-173.1	-55.9	-44.1	0	0	0	112.5	Q146 W147	Q146-H149 PolarHBondContact O-N 2.81Å; W147-H149 PolarHBondContact O-N 2.86Å; W147-H149 VanDerWaalsContact O-N 3.13Å
150	L	91.2	Very high	88.8	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.089	31%	0.305	C	S	.	.			trans	-100.3	146.3	175.5	-75.3	169.8	0	0	0	110.2	L111 Q146 W147 L155 L274 F278	L111-L150 HydrophobicContact CD2-CD1 4.48Å; Q146-L150 HydrophobicContact CB-CD1 3.86Å; Q146-L150 WeakPolarHBondContact O-CG 3.36Å; Q146-L150 PolarHBondContact O-N 2.93Å; W147-L150 HydrophobicContact CE3-CD1 4.25Å; W147-L150 PolarHBondContact O-N 2.97Å; L150-L155 HydrophobicContact CD2-CD2 4.13Å; L150-L155 HydrophobicContact CD2-CG 4.34Å; L150-L274 HydrophobicContact CD2-CD1 3.6Å; L150-L274 HydrophobicContact CD2-CD2 3.87Å; L150-L274 HydrophobicContact CD2-CG 4.4Å; L150-F278 HydrophobicContact CD1-CB 4.42Å; L150-F278 HydrophobicContact CD1-CD2 3.52Å; L150-F278 HydrophobicContact CD1-CE2 3.96Å; L150-F278 HydrophobicContact CD1-CG 4.03Å
151	S	92.2	Very high	87.7	Confident	34 Å²	34	67.2 Å²	67.2	24%	0.238	32%	0.324	C	S	.	.			trans	-157	160.5	164.6	68.2	0	0	0	0	108.1	D112 E153 F154 L155	D112-S151 WeakPolarHBondContact OD1-CA 3.42Å; D112-S151 WeakPolarHBondContact OD1-CB 3.05Å; S151-E153 VanDerWaalsContact C-N 3.29Å; S151-E153 PolarHBondContact O-N 2.91Å; S151-F154 PolarHBondContact O-N 3.22Å; S151-F154 VanDerWaalsContact OG-CB 3.27Å; S151-F154 WeakPolarHBondContact OG-CB 3.41Å; S151-F154 PolarHBondContact OG-N 2.89Å; S151-L155 PolarHBondContact O-N 2.92Å
152	N	90.3	Very high	86.2	Confident	8 Å²	8	69 Å²	69	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-41.4	176.4	-68.2	-58.5	0	0	0	110.8	H42 Q109 Y110 D112 F154 K156	H42-N152 PolarHBondContact CE1-OD1 3.33Å; H42-N152 PolarHBondContact ND1-OD1 2.86Å; Q109-N152 PolarHBondContact O-ND2 2.72Å; Y110-N152 WeakPolarHBondContact CD1-OD1 3.35Å; D112-N152 PolarHBondContact OD1-N 2.86Å; D112-N152 WeakPolarHBondContact OD2-CB 3.09Å; D112-N152 PolarHBondContact OD2-ND2 2.77Å; N152-F154 PolarHBondContact O-N 3.2Å; N152-K156 WeakPolarHBondContact O-CB 3.48Å; N152-K156 PolarHBondContact O-N 2.72Å; N152-K156 VanDerWaalsContact O-N 3.08Å
153	E	87.9	Confident	84.4	Confident	157 Å²	157	75 Å²	75	73%	0.734	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-40.2	176	-65.8	-165.1	152.3	0	0	113	S151 K156 A157	S151-E153 VanDerWaalsContact C-N 3.29Å; S151-E153 PolarHBondContact O-N 2.91Å; E153-K156 PolarHBondContact O-N 3.48Å; E153-A157 VanDerWaalsContact O-CB 3.25Å; E153-A157 WeakPolarHBondContact O-CB 3.06Å; E153-A157 PolarHBondContact O-N 3.11Å
154	F	88.6	Confident	82.3	Confident	95 Å²	95	79.2 Å²	79.2	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-47.8	-178.8	173.9	-95.2	0	0	0	111.7	S151 N152 A157 Q158 L274	S151-F154 PolarHBondContact O-N 3.22Å; S151-F154 VanDerWaalsContact OG-CB 3.27Å; S151-F154 WeakPolarHBondContact OG-CB 3.41Å; S151-F154 PolarHBondContact OG-N 2.89Å; N152-F154 PolarHBondContact O-N 3.2Å; F154-A157 PolarHBondContact O-N 3.09Å; F154-Q158 PolarHBondContact O-N 3.15Å; F154-L274 HydrophobicContact CE1-CD1 4.08Å
155	L	85.5	Confident	79.7	Confident	0 Å²	0	88 Å²	88	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.6	-47	176.9	-75.7	-165.9	0	0	0	111.6	L111 L150 S151 A157 Q158 Q159 L274	L111-L155 HydrophobicContact CD1-CD1 3.38Å; L111-L155 HydrophobicContact CD1-CG 3.87Å; L150-L155 HydrophobicContact CD2-CD2 4.13Å; L150-L155 HydrophobicContact CD2-CG 4.34Å; S151-L155 PolarHBondContact O-N 2.92Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.21Å; L155-Q158 WeakPolarHBondContact O-CA 3.37Å; L155-Q158 WeakPolarHBondContact O-CB 3.36Å; L155-Q158 PolarHBondContact O-N 3.41Å; L155-Q159 WeakPolarHBondContact O-CG 3.48Å; L155-Q159 PolarHBondContact O-N 2.91Å; L155-L274 HydrophobicContact CD2-CB 3.94Å; L155-L274 HydrophobicContact CD2-CD1 4.2Å; L155-L274 HydrophobicContact CD2-CD2 4.23Å; L155-L274 HydrophobicContact CD2-CG 4.36Å
156	K	84	Confident	77.4	Confident	117 Å²	117	89.9 Å²	89.9	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-57.6	-46.7	178.6	-173.7	174.8	178.9	179.6	0	111.5	N152 E153 Q158 Q159 E160	N152-K156 WeakPolarHBondContact O-CB 3.48Å; N152-K156 PolarHBondContact O-N 2.72Å; N152-K156 VanDerWaalsContact O-N 3.08Å; E153-K156 PolarHBondContact O-N 3.48Å; K156-Q158 VanDerWaalsContact C-N 3.28Å; K156-Q158 PolarHBondContact O-N 3.28Å; K156-Q159 PolarHBondContact O-N 3.45Å; K156-E160 WeakPolarHBondContact CE-OE1 3.19Å; K156-E160 HydrophobicContact CG-CG 4.42Å; K156-E160 WeakPolarHBondContact O-CB 3.25Å; K156-E160 WeakPolarHBondContact O-CG 3.46Å; K156-E160 PolarHBondContact O-N 2.84Å
157	A	83.1	Confident	74.7	Confident	37 Å²	37	97 Å²	97	31%	0.306	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-29	175.9	0	0	0	0	0	113.4	E153 F154 L155 K161	E153-A157 VanDerWaalsContact O-CB 3.25Å; E153-A157 WeakPolarHBondContact O-CB 3.06Å; E153-A157 PolarHBondContact O-N 3.11Å; F154-A157 PolarHBondContact O-N 3.09Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.21Å; A157-K161 VanDerWaalsContact O-CD 3.3Å; A157-K161 WeakPolarHBondContact O-CD 3.5Å; A157-K161 WeakPolarHBondContact O-CG 3.46Å; A157-K161 PolarHBondContact O-N 3.19Å
158	Q	80.2	Confident	72	Confident	71 Å²	71	100.9 Å²	100.9	33%	0.332	48%	0.484	S	S	.	.	H	α-helix	trans	-72.2	-42.2	173.4	-162.8	-166.8	-79.2	0	0	111.5	F154 L155 K156 L274	F154-Q158 PolarHBondContact O-N 3.15Å; L155-Q158 WeakPolarHBondContact O-CA 3.37Å; L155-Q158 WeakPolarHBondContact O-CB 3.36Å; L155-Q158 PolarHBondContact O-N 3.41Å; K156-Q158 VanDerWaalsContact C-N 3.28Å; K156-Q158 PolarHBondContact O-N 3.28Å; Q158-L274 PolarHBondContact NE2-O 3.35Å
159	Q	78.1	Confident	69.8	Low	49 Å²	49	96.6 Å²	96.6	23%	0.229	49%	0.485	C	S	.	.	H	α-helix	trans	-67.5	-45.5	177	-68.5	175.9	-11.2	0	0	111.4	L155 K156 K161 R162 H163	L155-Q159 WeakPolarHBondContact O-CG 3.48Å; L155-Q159 PolarHBondContact O-N 2.91Å; K156-Q159 PolarHBondContact O-N 3.45Å; Q159-K161 VanDerWaalsContact C-N 3.35Å; Q159-K161 PolarHBondContact O-N 3.2Å; Q159-R162 WeakPolarHBondContact O-CA 3.19Å; Q159-R162 VanDerWaalsContact O-CB 3.23Å; Q159-R162 WeakPolarHBondContact O-CB 3.25Å; Q159-R162 PolarHBondContact O-N 3.48Å; Q159-H163 PolarHBondContact O-CD2 3.33Å; Q159-H163 PolarHBondContact O-N 3.27Å; Q159-H163 VanDerWaalsContact O-N 3.11Å
160	E	75.1	Confident	67.6	Low	107 Å²	107	93.5 Å²	93.5	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-38.1	177.9	-74.3	177.4	-178.7	0	0	112.9	K156 R162 H163 S164	K156-E160 WeakPolarHBondContact CE-OE1 3.19Å; K156-E160 HydrophobicContact CG-CG 4.42Å; K156-E160 WeakPolarHBondContact O-CB 3.25Å; K156-E160 WeakPolarHBondContact O-CG 3.46Å; K156-E160 PolarHBondContact O-N 2.84Å; E160-R162 PolarHBondContact O-N 3.32Å; E160-H163 PolarHBondContact O-N 3.04Å; E160-S164 VanDerWaalsContact O-CB 3.32Å; E160-S164 WeakPolarHBondContact O-CB 3.4Å; E160-S164 PolarHBondContact O-N 2.94Å
161	K	71.2	Confident	65	Low	149 Å²	149	99 Å²	99	65%	0.648	53%	0.527	S	S	*	.	H	α-helix	trans	-58.4	-31.9	172.7	-78.1	167.2	-171.7	165.5	0	112.4	A157 Q159 W165	A157-K161 VanDerWaalsContact O-CD 3.3Å; A157-K161 WeakPolarHBondContact O-CD 3.5Å; A157-K161 WeakPolarHBondContact O-CG 3.46Å; A157-K161 PolarHBondContact O-N 3.19Å; Q159-K161 VanDerWaalsContact C-N 3.35Å; Q159-K161 PolarHBondContact O-N 3.2Å; K161-W165 PolarHBondContact O-N 2.9Å
162	R	61.4	Low	62.7	Low	105 Å²	105	104 Å²	104	40%	0.396	55%	0.549	S	S	.	.	H	α-helix	trans	-73.9	-48	175.3	-169.5	-169.6	-171.4	148.5	14.6	111.8	Q159 E160 S164 W165 F166 E275	Q159-R162 WeakPolarHBondContact O-CA 3.19Å; Q159-R162 VanDerWaalsContact O-CB 3.23Å; Q159-R162 WeakPolarHBondContact O-CB 3.25Å; Q159-R162 PolarHBondContact O-N 3.48Å; E160-R162 PolarHBondContact O-N 3.32Å; R162-S164 PolarHBondContact O-N 2.54Å; R162-W165 WeakPolarHBondContact O-CB 3.49Å; R162-W165 PolarHBondContact O-N 3.44Å; R162-F166 PolarHBondContact O-N 3.44Å; R162-E275 IonicContact CZ-OE1 3.21Å; R162-E275 IonicContact NH1-OE1 2.93Å; R162-E275 PolarHBondContact NH1-OE1 2.97Å; R162-E275 IonicContact NH2-OE1 2.72Å; R162-E275 PolarHBondContact NH2-OE1 3.06Å
163	H	56.1	Low	60	Low	132 Å²	132	112.8 Å²	112.8	61%	0.611	59%	0.587	S	S	*	*	H	α-helix	trans	-63.9	-28.9	176.5	-67.7	-73.3	0	0	0	112.4	Q159 E160 W165 F166	Q159-H163 PolarHBondContact O-CD2 3.33Å; Q159-H163 PolarHBondContact O-N 3.27Å; Q159-H163 VanDerWaalsContact O-N 3.11Å; E160-H163 PolarHBondContact O-N 3.04Å; H163-W165 VanDerWaalsContact C-N 3.32Å; H163-W165 PolarHBondContact O-N 2.88Å; H163-F166 CarbonylContact O-C 3.46Å; H163-F166 PolarHBondContact O-N 3.22Å
164	S	49.3	Very low	57.5	Low	89 Å²	89	115.1 Å²	115.1	62%	0.622	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-30.6	171.1	-173.9	0	0	0	0	113.6	E160 R162	E160-S164 VanDerWaalsContact O-CB 3.32Å; E160-S164 WeakPolarHBondContact O-CB 3.4Å; E160-S164 PolarHBondContact O-N 2.94Å; R162-S164 PolarHBondContact O-N 2.54Å
165	W	40.3	Very low	54.7	Low	221 Å²	221	119.5 Å²	119.5	84%	0.837	61%	0.614	S	S	*	*	H	α-helix	trans	-76.5	-26.4	172.7	-95.3	37.3	0	0	0	113.5	K161 R162 H163	K161-W165 PolarHBondContact O-N 2.9Å; R162-W165 WeakPolarHBondContact O-CB 3.49Å; R162-W165 PolarHBondContact O-N 3.44Å; H163-W165 VanDerWaalsContact C-N 3.32Å; H163-W165 PolarHBondContact O-N 2.88Å
166	F	44	Very low	52.4	Low	141 Å²	141	131.5 Å²	131.5	62%	0.618	66%	0.66	S	S	*	*	S	Bend	trans	-126.7	80.6	-177.6	-67	-84.5	0	0	0	111.4	R162 H163	R162-F166 PolarHBondContact O-N 3.44Å; H163-F166 CarbonylContact O-C 3.46Å; H163-F166 PolarHBondContact O-N 3.22Å
167	K	37	Very low	49.9	Very low	174 Å²	174	130 Å²	130	76%	0.757	67%	0.669	S	S	*	*			trans	-69.7	140.9	171	-77.3	-157.8	171.6	-163.4	0	111.7	G169	K167-G169 PolarHBondContact O-N 3.24Å
168	A	37.2	Very low	47.2	Very low	112 Å²	112	131.5 Å²	131.5	93%	0.926	69%	0.688	S	S	*	*	S	Bend	trans	-61.2	124.8	163.8	0	0	0	0	0	109.4
169	G	44.3	Very low	45	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	72%	0.716	S	S	*	*	S	Bend	trans	104.4	89.3	-163.8	0	0	0	0	0	110.5	K167 T171	K167-G169 PolarHBondContact O-N 3.24Å; G169-T171 PolarHBondContact O-N 3.26Å
170	G	42.7	Very low	42.6	Very low	82 Å²	82	139 Å²	139	85%	0.845	74%	0.739	S	S	*	*	S	Bend	trans	-63.4	99.4	-167.5	0	0	0	0	0	114.4
171	T	36.8	Very low	40.8	Very low	131 Å²	131	140.2 Å²	140.2	80%	0.804	75%	0.748	S	S	*	*			trans	-149.5	106.8	154.5	-62.6	0	0	0	0	109.2	G169 K173	G169-T171 PolarHBondContact O-N 3.26Å; T171-K173 PolarHBondContact O-N 3.05Å
172	I	44	Very low	38.8	Very low	139 Å²	139	142.3 Å²	142.3	71%	0.713	76%	0.757	S	S	*	*			trans	-59.3	128.3	170.4	-63.2	167.8	0	0	0	108.1	K174	I172-K174 PolarHBondContact O-N 3.07Å
173	K	34.3	Very low	37.1	Very low	194 Å²	194	142.6 Å²	142.6	84%	0.843	78%	0.775	S	S	*	*			trans	-59	103	170.1	-87.7	-176.6	173.9	176.4	0	109	T171 F175	T171-K173 PolarHBondContact O-N 3.05Å; K173-F175 PolarHBondContact O-N 3.42Å
174	K	35.5	Very low	35.7	Very low	205 Å²	205	142.1 Å²	142.1	89%	0.891	78%	0.783	S	S	*	*			trans	-63.3	93.5	173.7	-82.5	-179.8	174.5	170.7	0	110.2	I172	I172-K174 PolarHBondContact O-N 3.07Å
175	F	29.8	Very low	34.7	Very low	188 Å²	188	145.3 Å²	145.3	83%	0.825	79%	0.792	S	S	*	*			trans	-86.4	113.3	157.1	-113.3	-91.9	0	0	0	109.1	K173 A177	K173-F175 PolarHBondContact O-N 3.42Å; F175-A177 VanDerWaalsContact C-N 3.25Å; F175-A177 PolarHBondContact O-N 3.12Å; F175-A177 VanDerWaalsContact O-N 3.08Å
176	R	36	Very low	34.1	Very low	252 Å²	252	140.5 Å²	140.5	95%	0.951	79%	0.789	S	S	*	*			trans	-74.9	85.3	158.5	-85.2	-176.6	170.2	173.8	-3.1	107.7
177	A	31.4	Very low	33.3	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	80%	0.8	S	S	*	*			trans	-98.9	123.5	157.8	0	0	0	0	0	107.3	F175	F175-A177 VanDerWaalsContact C-N 3.25Å; F175-A177 PolarHBondContact O-N 3.12Å; F175-A177 VanDerWaalsContact O-N 3.08Å
178	G	27	Very low	32.8	Very low	68 Å²	68	140 Å²	140	70%	0.701	80%	0.8	S	S	*	*			trans	-67.5	161.3	-178.7	0	0	0	0	0	112.5	S180	G178-S180 PolarHBondContact O-N 3.43Å
179	L	34.2	Very low	32.3	Very low	176 Å²	176	140.5 Å²	140.5	92%	0.921	79%	0.794	S	S	*	*			trans	-54.9	104.4	170.5	-78	138.3	0	0	0	111.1
180	S	26.3	Very low	31.4	Very low	102 Å²	102	142.8 Å²	142.8	71%	0.713	80%	0.799	S	S	*	*			trans	-117.6	92	157.5	64.3	0	0	0	0	108.9	G178	G178-S180 PolarHBondContact O-N 3.43Å
181	I	37.1	Very low	30.6	Very low	133 Å²	133	148.4 Å²	148.4	68%	0.682	80%	0.801	S	S	*	*			trans	-60.7	143	160.8	-57.1	173	0	0	0	106.9
182	F	30.4	Very low	30.1	Very low	193 Å²	193	147.9 Å²	147.9	85%	0.846	80%	0.8	S	S	*	*			trans	81.8	111.5	-176.2	-56.4	-77.5	0	0	0	117.7
183	S	25.1	Very low	29.1	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	81%	0.809	S	S	*	*			trans	-137.3	155.9	145.2	-3	0	0	0	0	108.8
184	P	26.8	Very low	28.7	Very low	121 Å²	121	147.4 Å²	147.4	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-93.3	162.9	-152.3	35.3	-37	0	0	0	115.8
185	I	28.3	Very low	28.1	Very low	156 Å²	156	146.3 Å²	146.3	80%	0.8	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-52.1	125	169.8	-60.3	161.4	0	0	0	110.7	K187	I185-K187 PolarHBondContact O-N 2.89Å
186	P	27	Very low	27.8	Very low	120 Å²	120	144 Å²	144	78%	0.779	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.8	121.3	167.5	-11.9	27	0	0	0	109.7
187	K	27.5	Very low	27.1	Very low	197 Å²	197	137.9 Å²	137.9	86%	0.857	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-74.6	137.8	165.6	-70.5	179.4	178.8	177.3	0	108.9	I185	I185-K187 PolarHBondContact O-N 2.89Å
188	S	26.2	Very low	26.8	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-58.2	139.6	174.9	48.1	0	0	0	0	112.2	S190	S188-S190 PolarHBondContact O-N 2.93Å
189	P	26.9	Very low	26.8	Very low	124 Å²	124	145.1 Å²	145.1	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.2	118.9	170.8	29.9	-32.2	0	0	0	110.3
190	S	25.7	Very low	26.2	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.8	129.4	166.8	49.3	0	0	0	0	110.1	S188	S188-S190 PolarHBondContact O-N 2.93Å
191	F	25.5	Very low	26.1	Very low	200 Å²	200	145.6 Å²	145.6	88%	0.877	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.3	140.4	175.6	-80.8	-95.2	0	0	0	112.3
192	P	26.5	Very low	25.4	Very low	121 Å²	121	149 Å²	149	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.1	167.7	30	-30.6	0	0	0	110.9
193	L	24.7	Very low	25.1	Very low	172 Å²	172	147.4 Å²	147.4	90%	0.901	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79.4	132.1	175.4	-168.2	75	0	0	0	109.8
194	I	25.7	Very low	25	Very low	151 Å²	151	147.3 Å²	147.3	77%	0.774	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69	136.9	173.1	-65.1	171.9	0	0	0	109.3
195	Q	23	Very low	24.7	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	82%	0.819	S	S	*	*			trans	-108.5	126.8	176.8	-179.6	178.6	25.7	0	0	108.9
196	D	22.5	Very low	24.8	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	82%	0.815	S	S	*	*			trans	-130.4	130.1	167	-106.2	-36.1	0	0	0	112.4
197	T	21.7	Very low	24.5	Very low	124 Å²	124	146 Å²	146	76%	0.761	81%	0.807	S	S	*	*			trans	9	117.2	164.3	53	0	0	0	0	121.6
198	V	25.6	Very low	24.3	Very low	147 Å²	147	145 Å²	145	89%	0.891	81%	0.81	S	S	*	*			trans	-138.1	151.6	138.4	-179.3	0	0	0	0	109.6
199	L	26.2	Very low	24.1	Very low	158 Å²	158	149.1 Å²	149.1	83%	0.827	81%	0.809	S	S	*	*			trans	-80.1	152.2	-163.8	-69.7	119.7	0	0	0	117.5
200	K	22.2	Very low	23.9	Very low	207 Å²	207	149.2 Å²	149.2	90%	0.9	81%	0.807	S	S	*	*			trans	-3.6	132.2	155.3	-65.1	174.3	176.1	172.8	0	119.6
201	G	23.9	Very low	23.7	Very low	81 Å²	81	149.2 Å²	149.2	84%	0.835	80%	0.803	S	S	*	*			trans	-166.8	125.2	154.2	0	0	0	0	0	113
202	K	22	Very low	23.6	Very low	205 Å²	205	150.8 Å²	150.8	89%	0.891	80%	0.803	S	S	*	*			trans	-77.5	167.8	173.8	-58.7	170.3	174.5	177	0	109.8
203	L	23.4	Very low	23.5	Very low	158 Å²	158	153.6 Å²	153.6	83%	0.827	81%	0.81	S	S	*	*			cis	-127.3	-167.8	7.2	-65.4	78.2	0	0	0	108.5
204	S	23	Very low	23.5	Very low	109 Å²	109	153.9 Å²	153.9	76%	0.762	81%	0.809	S	S	*	*			cis	-155.8	-177.4	4.5	-4.8	0	0	0	0	111.4
205	V	21.3	Very low	23.4	Very low	129 Å²	129	154.9 Å²	154.9	78%	0.782	82%	0.816	S	S	*	*			trans	-139.9	165.5	178.7	171.5	0	0	0	0	106.5
206	P	30.6	Very low	23.4	Very low	112 Å²	112	157.7 Å²	157.7	73%	0.727	82%	0.819	S	S	*	*			cis	-117	157.6	9.2	11.5	15.6	0	0	0	115.2
207	E	20.9	Very low	23.4	Very low	128 Å²	128	156.7 Å²	156.7	60%	0.598	82%	0.823	S	S	*	*				72.8	111.7	64.3	-161.5	-177.5	-160	0	0	115.3	R209	E207-R209 IonicContact OE1-CZ 3.2Å; E207-R209 IonicContact OE1-NE 2.79Å; E207-R209 PolarHBondContact OE1-NE 3.3Å; E207-R209 IonicContact OE1-NH2 2.77Å; E207-R209 PolarHBondContact OE1-NH2 3.4Å
208	L	23.1	Very low	23.5	Very low	177 Å²	177	158.7 Å²	158.7	93%	0.927	83%	0.827	S	S	*	*			trans	-155.5	147.6	139.2	-110.4	168.6	0	0	0	110
209	R	21.8	Very low	23.2	Very low	194 Å²	194	156.7 Å²	156.7	73%	0.732	82%	0.819	S	S	*	*			trans	-107.7	173.3	-162.5	-60.8	173.5	-172.2	177.8	2	112.5	E207	E207-R209 IonicContact OE1-CZ 3.2Å; E207-R209 IonicContact OE1-NE 2.79Å; E207-R209 PolarHBondContact OE1-NE 3.3Å; E207-R209 IonicContact OE1-NH2 2.77Å; E207-R209 PolarHBondContact OE1-NH2 3.4Å
210	V	22.5	Very low	23	Very low	125 Å²	125	155.3 Å²	155.3	76%	0.758	82%	0.822	S	S	*	*			trans	121.6	110.5	140.9	-176.5	0	0	0	0	117.4
211	T	22.3	Very low	23	Very low	115 Å²	115	151.4 Å²	151.4	71%	0.706	82%	0.815	S	S	*	*			trans	66.4	120.7	153.8	52.2	0	0	0	0	124.6
212	R	23.8	Very low	22.9	Very low	233 Å²	233	156.7 Å²	156.7	88%	0.879	82%	0.821	S	S	*	*				46	120.2	127.1	-62.8	-179.9	176.8	176.1	-0.3	119.4
213	L	23.7	Very low	22.9	Very low	180 Å²	180	156.6 Å²	156.6	94%	0.942	82%	0.82	S	S	*	*			trans	-148.3	151.9	137.4	-112.7	146.6	0	0	0	111.7
214	M	24.9	Very low	23	Very low	177 Å²	177	156.6 Å²	156.6	87%	0.872	82%	0.821	S	S	*	*			trans	-82.4	152.6	-168.5	-69	171.8	153.3	0	0	113.2	R216	M214-R216 PolarHBondContact O-N 3.4Å
215	N	23	Very low	23.1	Very low	173 Å²	173	157.1 Å²	157.1	93%	0.925	82%	0.822	S	S	*	*			trans	-59.4	125.2	163.6	-77.5	-26.7	0	0	0	110.6
216	R	23.7	Very low	23.3	Very low	240 Å²	240	161 Å²	161	91%	0.906	83%	0.829	S	S	*	*			trans	-114.4	119.7	164.7	-117.7	-177.5	174.2	-174	-2.2	109	M214	M214-R216 PolarHBondContact O-N 3.4Å
217	S	22.2	Very low	22.9	Very low	118 Å²	118	159.2 Å²	159.2	83%	0.825	83%	0.83	S	S	*	*			trans	-79.5	141.4	171.2	36.1	0	0	0	0	110.7
218	I	22.7	Very low	23	Very low	166 Å²	166	163 Å²	163	85%	0.851	85%	0.847	S	S	*	*			trans	-131.5	139.1	166	-63.2	-177.4	0	0	0	108.4
219	S	20.2	Very low	23	Very low	105 Å²	105	161.3 Å²	161.3	73%	0.734	84%	0.839	S	S	*	*			trans	-91.1	162	-172.6	49.8	0	0	0	0	113.3
220	C	22.3	Very low	23.1	Very low	130 Å²	130	161.5 Å²	161.5	88%	0.878	85%	0.845	S	S	*	*			trans	-130.6	137.6	154.5	60.8	0	0	0	0	110.4
221	T	21	Very low	23	Very low	124 Å²	124	159.2 Å²	159.2	76%	0.761	84%	0.835	S	S	*	*			trans	-107.1	142.9	-174.8	38.9	0	0	0	0	111.1
222	M	23	Very low	23.1	Very low	193 Å²	193	164.3 Å²	164.3	95%	0.951	84%	0.842	S	S	*	*			trans	-128.3	140.7	160.2	-76.3	-63.4	-76.8	0	0	109.6
223	K	22.3	Very low	23.2	Very low	202 Å²	202	158.4 Å²	158.4	88%	0.878	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-88.7	136.5	-163.5	-64.5	173.9	177.8	175.5	0	112.3
224	N	24.6	Very low	23.4	Very low	158 Å²	158	155.8 Å²	155.8	85%	0.845	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-91.3	140	164.9	-105.9	-8.8	0	0	0	110.6
225	P	25.4	Very low	23.3	Very low	121 Å²	121	154.8 Å²	154.8	79%	0.786	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77	136.4	159.8	-7.1	24.9	0	0	0	111
226	K	24.3	Very low	23.5	Very low	211 Å²	211	151.7 Å²	151.7	92%	0.917	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-83.5	153.5	157.9	-56.9	172.9	179.8	179.6	0	107.3
227	G	23.9	Very low	23.5	Very low	73 Å²	73	148.6 Å²	148.6	75%	0.753	81%	0.814	S	S	*	*			cis	135.4	132.6	3.1	0	0	0	0	0	109.6
228	E	22.3	Very low	23.7	Very low	207 Å²	207	149.8 Å²	149.8	97%	0.967	82%	0.816	S	S	*	*			trans	-133	156	168.1	-76.3	-162.9	153.5	0	0	110.9
229	L	23.5	Very low	23.8	Very low	143 Å²	143	147.9 Å²	147.9	75%	0.749	81%	0.812	S	S	*	*			trans	-145.8	122.1	-150.2	170.1	90.4	0	0	0	110.9
230	F	22.8	Very low	23.9	Very low	198 Å²	198	147.1 Å²	147.1	87%	0.868	81%	0.813	S	S	*	*			trans	-153.5	111.2	150.3	-79.5	-73.2	0	0	0	107.2
231	S	20.9	Very low	23.9	Very low	76 Å²	76	147.3 Å²	147.3	53%	0.531	81%	0.809	S	S	.	*				79.2	118.6	72	-65.2	0	0	0	0	113.8
232	Y	23.6	Very low	24.1	Very low	222 Å²	222	147 Å²	147	87%	0.871	81%	0.81	S	S	*	*			trans	158.5	157.9	137.5	-81.8	-55.1	0	0	0	112
233	P	26.7	Very low	24.2	Very low	109 Å²	109	142.4 Å²	142.4	71%	0.708	80%	0.802	S	S	*	*				-105.5	170.6	-127	40.5	-37.3	0	0	0	115.3
234	P	27.5	Very low	24.7	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	80%	0.799	S	S	*	*			trans	-76.8	146.1	176	32.9	-35.3	0	0	0	111.4
235	N	23.3	Very low	24.7	Very low	157 Å²	157	142 Å²	142	84%	0.84	80%	0.804	S	S	*	*			trans	-132.9	109.4	163.6	-138.5	6.5	0	0	0	110.4
236	S	26.4	Very low	24.7	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	80%	0.8	S	S	*	*			trans	-81.7	117.8	176.2	49.6	0	0	0	0	110.3
237	Q	25.1	Very low	24.9	Very low	175 Å²	175	136.2 Å²	136.2	82%	0.818	80%	0.796	S	S	*	*			trans	-125.2	110	157.6	-81.2	-170.2	-3	0	0	110.5	V239	Q237-V239 PolarHBondContact O-N 3.2Å
238	T	26.2	Very low	25.1	Very low	142 Å²	142	137 Å²	137	87%	0.871	80%	0.795	S	S	*	*			trans	-68.7	118.8	170.3	-44	0	0	0	0	108.9
239	V	23.8	Very low	25.7	Very low	126 Å²	126	135.9 Å²	135.9	76%	0.764	79%	0.79	S	S	*	*			trans	-111	127.2	166.8	-179.8	0	0	0	0	108.1	Q237	Q237-V239 PolarHBondContact O-N 3.2Å
240	A	23.1	Very low	26.2	Very low	90 Å²	90	134 Å²	134	74%	0.744	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69.2	139.9	-172.5	0	0	0	0	0	112.4
241	V	23.1	Very low	27	Very low	133 Å²	133	128.1 Å²	128.1	81%	0.806	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-84.8	122.7	171.6	177.1	0	0	0	0	109
242	P	24.1	Very low	28	Very low	119 Å²	119	129.8 Å²	129.8	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.2	165.9	-12.2	28.2	0	0	0	109.8
243	A	25.7	Very low	28.6	Very low	95 Å²	95	128 Å²	128	79%	0.785	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-71.3	163.9	178.9	0	0	0	0	0	112.9
244	A	33.4	Very low	29.1	Very low	99 Å²	99	127.3 Å²	127.3	82%	0.818	75%	0.746	S	S	*	*			trans	65.4	95.9	167.2	0	0	0	0	0	117.6
245	R	24.6	Very low	30	Very low	253 Å²	253	124.9 Å²	124.9	96%	0.955	73%	0.726	S	S	*	*			trans	-128.2	151.8	141.3	-75.6	-169.8	173.6	-176.7	-2.1	109.5
246	A	25	Very low	31.1	Very low	85 Å²	85	120.5 Å²	120.5	70%	0.702	70%	0.702	S	S	*	*			trans	-54.4	158.3	-178.9	0	0	0	0	0	112.5	A248	A246-A248 PolarHBondContact O-N 2.94Å
247	P	28	Very low	31.6	Very low	126 Å²	126	121.2 Å²	121.2	82%	0.818	69%	0.693	S	S	*	*			trans	-56.8	115.7	173.3	25.2	-34.4	0	0	0	109	Q249	P247-Q249 PolarHBondContact O-N 3.31Å
248	A	28.3	Very low	32.2	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	69%	0.685	S	S	*	*			trans	-64	112.9	179.3	0	0	0	0	0	108.6	A246 I250	A246-A248 PolarHBondContact O-N 2.94Å; A248-I250 PolarHBondContact O-N 3.5Å
249	Q	34.3	Very low	32.8	Very low	183 Å²	183	116.6 Å²	116.6	86%	0.855	66%	0.663	S	S	*	*			trans	-58.4	109.2	165.4	-77.2	178.9	-34.1	0	0	107.4	P247 T251	P247-Q249 PolarHBondContact O-N 3.31Å; Q249-T251 PolarHBondContact O-N 2.95Å
250	I	35.5	Very low	33.5	Very low	103 Å²	103	115.7 Å²	115.7	53%	0.528	65%	0.649	S	S	.	*			trans	-67.3	107.8	175.7	-56.5	175.9	0	0	0	106	A248 Q254 L255	A248-I250 PolarHBondContact O-N 3.5Å; I250-Q254 HydrophobicContact CG2-CB 3.81Å; I250-L255 HydrophobicContact CG2-CG 3.94Å
251	T	38.7	Very low	34.1	Very low	74 Å²	74	114.5 Å²	114.5	45%	0.454	64%	0.636	S	S	.	*			trans	-62.9	149.9	-179.6	59.7	0	0	0	0	110.3	Q249 R253 Q254 L255	Q249-T251 PolarHBondContact O-N 2.95Å; T251-R253 PolarHBondContact O-N 3.39Å; T251-Q254 PolarHBondContact O-N 2.87Å; T251-Q254 PolarHBondContact OG1-OE1 3.2Å; T251-L255 PolarHBondContact O-N 2.75Å
252	T	41.4	Very low	34.8	Very low	111 Å²	111	113.7 Å²	113.7	68%	0.681	64%	0.636	S	S	*	*	H	α-helix	trans	-50.2	-31.5	177.5	-39.7	0	0	0	0	112.3	L255 I256	T252-L255 PolarHBondContact O-N 2.79Å; T252-I256 HydrophobicContact CG2-CD1 4.43Å; T252-I256 WeakPolarHBondContact O-CB 3.3Å; T252-I256 WeakPolarHBondContact O-CD1 3.4Å; T252-I256 VanDerWaalsContact O-CG1 3.26Å; T252-I256 WeakPolarHBondContact O-CG1 3.32Å; T252-I256 PolarHBondContact O-N 3.43Å
253	R	37.1	Very low	35.5	Very low	184 Å²	184	115.6 Å²	115.6	69%	0.694	64%	0.635	S	S	*	*	H	α-helix	trans	-66.9	-35.6	175.8	-172.3	173	176.2	165.2	-1.8	114.3	T251 I256 E257	T251-R253 PolarHBondContact O-N 3.39Å; R253-I256 WeakPolarHBondContact O-CB 3.2Å; R253-E257 PolarHBondContact O-N 2.96Å; R253-E257 VanDerWaalsContact O-N 3.09Å
254	Q	36.8	Very low	36.2	Very low	96 Å²	96	112.1 Å²	112.1	45%	0.449	61%	0.606	S	S	.	*	H	α-helix	trans	-79.4	-31.9	176.5	-73.1	170.4	-45.8	0	0	112	I250 T251 I256 E257 L258	I250-Q254 HydrophobicContact CG2-CB 3.81Å; T251-Q254 PolarHBondContact O-N 2.87Å; T251-Q254 PolarHBondContact OG1-OE1 3.2Å; Q254-I256 VanDerWaalsContact C-N 3.35Å; Q254-E257 PolarHBondContact O-N 2.83Å; Q254-L258 PolarHBondContact O-N 3.49Å; Q254-L258 VanDerWaalsContact O-N 3.15Å
255	L	46	Very low	36.5	Very low	74 Å²	74	109.1 Å²	109.1	39%	0.387	58%	0.584	S	S	.	*	H	α-helix	trans	-60.3	-46.7	165.9	-82	161.9	0	0	0	110.5	I250 T251 T252 E257 L258 F259	I250-L255 HydrophobicContact CG2-CG 3.94Å; T251-L255 PolarHBondContact O-N 2.75Å; T252-L255 PolarHBondContact O-N 2.79Å; L255-E257 PolarHBondContact O-N 3.44Å; L255-L258 PolarHBondContact O-N 3.14Å; L255-L258 VanDerWaalsContact O-N 3.15Å; L255-F259 HydrophobicContact CB-CD2 4.2Å; L255-F259 HydrophobicContact CB-CE2 4.13Å; L255-F259 HydrophobicContact CD2-CE2 3.98Å; L255-F259 WeakPolarHBondContact O-CD2 3.31Å; L255-F259 PolarHBondContact O-N 2.72Å
256	I	45.8	Very low	37.5	Very low	65 Å²	65	99.6 Å²	99.6	33%	0.333	57%	0.565	S	S	.	*	H	α-helix	trans	-53.7	-48.4	173.8	-81	165.3	0	0	0	112	T252 R253 Q254 L258 F259 F260	T252-I256 HydrophobicContact CG2-CD1 4.43Å; T252-I256 WeakPolarHBondContact O-CB 3.3Å; T252-I256 WeakPolarHBondContact O-CD1 3.4Å; T252-I256 VanDerWaalsContact O-CG1 3.26Å; T252-I256 WeakPolarHBondContact O-CG1 3.32Å; T252-I256 PolarHBondContact O-N 3.43Å; R253-I256 WeakPolarHBondContact O-CB 3.2Å; Q254-I256 VanDerWaalsContact C-N 3.35Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 2.84Å; I256-F259 PolarHBondContact O-N 3.47Å; I256-F260 HydrophobicContact CG2-CD2 3.84Å; I256-F260 HydrophobicContact CG2-CE2 3.92Å; I256-F260 WeakPolarHBondContact O-CD2 3.3Å; I256-F260 PolarHBondContact O-N 2.73Å
257	E	37.7	Very low	39.1	Very low	122 Å²	122	100.5 Å²	100.5	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-31.2	178.7	-74.5	173.2	175.6	0	0	113.4	R253 Q254 L255 S261	R253-E257 PolarHBondContact O-N 2.96Å; R253-E257 VanDerWaalsContact O-N 3.09Å; Q254-E257 PolarHBondContact O-N 2.83Å; L255-E257 PolarHBondContact O-N 3.44Å; E257-S261 PolarHBondContact O-OG 3.18Å
258	L	36.9	Very low	41	Very low	124 Å²	124	94.8 Å²	94.8	65%	0.649	52%	0.518	S	S	*	.	H	α-helix	trans	-74.3	-39.7	171.2	-75.3	162.8	0	0	0	112.6	Q254 L255 I256 S261	Q254-L258 PolarHBondContact O-N 3.49Å; Q254-L258 VanDerWaalsContact O-N 3.15Å; L255-L258 PolarHBondContact O-N 3.14Å; L255-L258 VanDerWaalsContact O-N 3.15Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 2.84Å; L258-S261 WeakPolarHBondContact O-CB 3.37Å; L258-S261 PolarHBondContact O-N 3.09Å
259	F	40.3	Very low	43.6	Very low	96 Å²	96	93.7 Å²	93.7	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-70.5	-28.8	-179.8	-80.4	-61.6	0	0	0	114	L255 I256 S261 A264 Q288	L255-F259 HydrophobicContact CB-CD2 4.2Å; L255-F259 HydrophobicContact CB-CE2 4.13Å; L255-F259 HydrophobicContact CD2-CE2 3.98Å; L255-F259 WeakPolarHBondContact O-CD2 3.31Å; L255-F259 PolarHBondContact O-N 2.72Å; I256-F259 PolarHBondContact O-N 3.47Å; F259-S261 VanDerWaalsContact C-N 3.33Å; F259-A264 WeakPolarHBondContact O-CB 3.35Å; F259-Q288 HydrophobicContact CZ-CG 4.45Å
260	F	38.1	Very low	46.1	Very low	107 Å²	107	89 Å²	89	47%	0.469	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.6	176.3	-71.7	-68.3	0	0	0	114.4	I256 A469	I256-F260 HydrophobicContact CG2-CD2 3.84Å; I256-F260 HydrophobicContact CG2-CE2 3.92Å; I256-F260 WeakPolarHBondContact O-CD2 3.3Å; I256-F260 PolarHBondContact O-N 2.73Å; F260-A469 HydrophobicContact CD1-CB 4.2Å
261	S	35.6	Very low	48.6	Very low	66 Å²	66	88.4 Å²	88.4	46%	0.462	47%	0.474	S	S	.	.	S	Bend	trans	-79.5	144.4	168.7	-67.1	0	0	0	0	110.9	E257 L258 F259 Q263 A264	E257-S261 PolarHBondContact O-OG 3.18Å; L258-S261 WeakPolarHBondContact O-CB 3.37Å; L258-S261 PolarHBondContact O-N 3.09Å; F259-S261 VanDerWaalsContact C-N 3.33Å; S261-Q263 PolarHBondContact O-N 2.73Å; S261-A264 PolarHBondContact O-N 2.87Å
262	S	37.3	Very low	51.1	Low	116 Å²	116	85.6 Å²	85.6	81%	0.811	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	13.9	-167.2	55.6	0	0	0	0	117.1
263	Q	38.8	Very low	53.3	Low	159 Å²	159	84.5 Å²	84.5	74%	0.743	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.6	171.1	-61.3	-167.7	-2.6	0	0	113.2	S261 G265	S261-Q263 PolarHBondContact O-N 2.73Å; Q263-G265 VanDerWaalsContact C-N 3.29Å; Q263-G265 PolarHBondContact O-N 3.01Å
264	A	40.6	Very low	55.8	Low	22 Å²	22	76.9 Å²	76.9	18%	0.182	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-66.7	-18.7	-173.9	0	0	0	0	0	116.1	F259 S261 G266 H267 C268	F259-A264 WeakPolarHBondContact O-CB 3.35Å; S261-A264 PolarHBondContact O-N 2.87Å; A264-G266 PolarHBondContact O-N 3.04Å; A264-G266 VanDerWaalsContact O-N 3.09Å; A264-H267 PolarHBondContact O-N 3.34Å; A264-C268 PolarHBondContact O-N 2.86Å
265	G	40	Very low	58.1	Low	35 Å²	35	75.4 Å²	75.4	36%	0.361	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-61.7	-18.1	-179.1	0	0	0	0	0	114.9	Q263 Y296	Q263-G265 VanDerWaalsContact C-N 3.29Å; Q263-G265 PolarHBondContact O-N 3.01Å; G265-Y296 PolarHBondContact O-OH 3.27Å
266	G	45.8	Very low	60.1	Low	54 Å²	54	75.7 Å²	75.7	56%	0.557	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-96.4	-5.6	172.1	0	0	0	0	0	115.1	A264 N270	A264-G266 PolarHBondContact O-N 3.04Å; A264-G266 VanDerWaalsContact O-N 3.09Å; G266-N270 PolarHBondContact O-OD1 2.81Å
267	H	57.2	Low	62.3	Low	103 Å²	103	72.6 Å²	72.6	48%	0.477	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-25.4	-168.8	-71.4	-47.5	0	0	0	115	A264 K269 N270	A264-H267 PolarHBondContact O-N 3.34Å; H267-K269 PolarHBondContact O-N 2.85Å; H267-K269 VanDerWaalsContact O-N 3.13Å; H267-N270 PolarHBondContact ND1-ND2 2.78Å; H267-N270 VanDerWaalsContact ND1-ND2 3.11Å; H267-N270 VanDerWaalsContact O-CB 3.28Å; H267-N270 WeakPolarHBondContact O-CB 3.4Å; H267-N270 PolarHBondContact O-N 3.15Å
268	C	68.6	Low	65	Low	6 Å²	6	66.8 Å²	66.8	4%	0.041	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.9	-177.8	65	0	0	0	0	115.1	A264 R289 T292 Y296	A264-C268 PolarHBondContact O-N 2.86Å; C268-R289 WeakPolarHBondContact O-CD 3.48Å; C268-R289 PolarHBondContact O-NH1 3.4Å; C268-R289 PolarHBondContact SG-NH1 3.49Å; C268-R289 VanDerWaalsContact SG-NH1 3.41Å; C268-T292 HydrophobicContact CB-CG2 3.88Å; C268-Y296 PolarHBondContact SG-OH 3.04Å
269	K	83.1	Confident	67.8	Low	68 Å²	68	60.9 Å²	60.9	30%	0.296	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.9	167.8	-79.1	-170.3	170.3	-171.8	0	113.1	H267 I271 Y296 D301 E302	H267-K269 PolarHBondContact O-N 2.85Å; H267-K269 VanDerWaalsContact O-N 3.13Å; K269-I271 PolarHBondContact O-N 3.27Å; K269-Y296 HydrophobicContact CD-CE1 4.27Å; K269-D301 WeakPolarHBondContact CE-O 3.48Å; K269-D301 VanDerWaalsContact CE-OD2 3.24Å; K269-D301 WeakPolarHBondContact CE-OD2 2.97Å; K269-D301 PolarHBondContact NZ-O 3.07Å; K269-D301 IonicContact NZ-OD2 3.51Å; K269-E302 IonicContact NZ-OE1 3.78Å; K269-E302 IonicContact NZ-OE2 3.43Å
270	N	86.7	Confident	70.4	Confident	83 Å²	83	56.3 Å²	56.3	44%	0.444	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.5	127	179.3	-76.2	-2.5	0	0	0	109.6	G266 H267 P272 Q288	G266-N270 PolarHBondContact O-OD1 2.81Å; H267-N270 PolarHBondContact ND1-ND2 2.78Å; H267-N270 VanDerWaalsContact ND1-ND2 3.11Å; H267-N270 VanDerWaalsContact O-CB 3.28Å; H267-N270 WeakPolarHBondContact O-CB 3.4Å; H267-N270 PolarHBondContact O-N 3.15Å; N270-P272 VanDerWaalsContact O-CD 3.31Å; N270-P272 WeakPolarHBondContact O-CD 3.36Å; N270-Q288 PolarHBondContact O-OE1 3.36Å
271	I	88.8	Confident	73	Confident	91 Å²	91	51.4 Å²	51.4	47%	0.467	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-65	121.4	175.7	-65.9	164.7	0	0	0	108.3	F142 K269	F142-I271 HydrophobicContact CE2-CG1 4.17Å; F142-I271 HydrophobicContact CE2-CG2 4.12Å; K269-I271 PolarHBondContact O-N 3.27Å
272	P	89.8	Confident	75.9	Confident	15 Å²	15	48.2 Å²	48.2	10%	0.097	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63	159	174.9	-21.9	34.3	0	0	0	111.7	N270 Q281 K284	N270-P272 VanDerWaalsContact O-CD 3.31Å; N270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-Q281 HydrophobicContact CB-CG 4.04Å; P272-Q281 WeakPolarHBondContact O-CG 3.43Å; P272-Q281 PolarHBondContact O-NE2 2.68Å; P272-K284 HydrophobicContact CB-CB 4.02Å; P272-K284 HydrophobicContact CG-CB 3.92Å
273	T	88.4	Confident	78.5	Confident	88 Å²	88	42.9 Å²	42.9	54%	0.54	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-68.9	139.1	177.6	52.4	0	0	0	0	111.5	E275	T273-E275 PolarHBondContact O-N 2.88Å
274	L	89.1	Confident	81	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.126	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-71.3	25.1	167.8	-72.4	166.8	0	0	0	112.8	L150 F154 L155 Q158 Y276 F278 Q281	L150-L274 HydrophobicContact CD2-CD1 3.6Å; L150-L274 HydrophobicContact CD2-CD2 3.87Å; L150-L274 HydrophobicContact CD2-CG 4.4Å; F154-L274 HydrophobicContact CE1-CD1 4.08Å; L155-L274 HydrophobicContact CD2-CB 3.94Å; L155-L274 HydrophobicContact CD2-CD1 4.2Å; L155-L274 HydrophobicContact CD2-CD2 4.23Å; L155-L274 HydrophobicContact CD2-CG 4.36Å; Q158-L274 PolarHBondContact NE2-O 3.35Å; L274-Y276 PolarHBondContact O-N 3.39Å; L274-F278 HydrophobicContact CD2-CB 4.43Å; L274-Q281 HydrophobicContact CD2-CB 4Å; L274-Q281 VanDerWaalsContact CD2-CD 3.4Å; L274-Q281 HydrophobicContact CD2-CG 4.08Å; L274-Q281 VanDerWaalsContact CD2-OE1 3.26Å; L274-Q281 HydrophobicContact CG-CG 4.49Å
275	E	84.9	Confident	83.5	Confident	66 Å²	66	37.4 Å²	37.4	31%	0.308	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-65.6	-26.8	-172.4	-178.7	-175.2	165	0	0	112.7	R162 T273	R162-E275 IonicContact CZ-OE1 3.21Å; R162-E275 IonicContact NH1-OE1 2.93Å; R162-E275 PolarHBondContact NH1-OE1 2.97Å; R162-E275 IonicContact NH2-OE1 2.72Å; R162-E275 PolarHBondContact NH2-OE1 3.06Å; T273-E275 PolarHBondContact O-N 2.88Å
276	Y	87.7	Confident	86	Confident	79 Å²	79	35.8 Å²	35.8	31%	0.31	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-126.4	29.4	-174.7	-56.1	-86	0	0	0	111.4	A51 I55 L274 V280	A51-Y276 WeakPolarHBondContact CB-O 3.48Å; I55-Y276 HydrophobicContact CD1-CD1 3.53Å; I55-Y276 HydrophobicContact CD1-CD2 4.12Å; I55-Y276 HydrophobicContact CD1-CE1 4.18Å; I55-Y276 HydrophobicContact CD1-CG 3.49Å; I55-Y276 VanDerWaalsContact CD1-CG 3.49Å; L274-Y276 PolarHBondContact O-N 3.39Å; Y276-V280 WeakPolarHBondContact O-CB 3.23Å; Y276-V280 WeakPolarHBondContact O-CG2 3.5Å
277	G	92.4	Very high	87.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	87.6	173.3	-177.1	0	0	0	0	0	114.8	D48 Q281	D48-G277 WeakPolarHBondContact OD1-CA 3.5Å; D48-G277 VanDerWaalsContact OD2-C 3.23Å; D48-G277 WeakPolarHBondContact OD2-CA 3.24Å; G277-Q281 WeakPolarHBondContact O-CB 3.29Å; G277-Q281 PolarHBondContact O-N 3.05Å
278	F	94.5	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-40.1	177.1	176.1	-113.6	0	0	0	112.3	D48 F105 L111 F142 T143 Q146 W147 L150 L274 V280 Q281 I282	D48-F278 PolarHBondContact OD2-N 2.73Å; F105-F278 HydrophobicContact CE1-CD1 4.14Å; F105-F278 AromaticContact CE1-CE1 3.96Å; F105-F278 HydrophobicContact CE1-CE1 3.96Å; F105-F278 HydrophobicContact CZ-CD1 4.08Å; F105-F278 AromaticContact CZ-CE1 3.92Å; F105-F278 HydrophobicContact CZ-CE1 3.92Å; L111-F278 HydrophobicContact CD2-CB 4.23Å; L111-F278 HydrophobicContact CD2-CD1 4.3Å; L111-F278 HydrophobicContact CD2-CG 4.39Å; F142-F278 HydrophobicContact CE1-CE2 4.29Å; T143-F278 HydrophobicContact CG2-CZ 4.24Å; Q146-F278 HydrophobicContact CB-CE2 4.21Å; W147-F278 HydrophobicContact CE3-CE1 4.4Å; W147-F278 HydrophobicContact CE3-CZ 4.38Å; W147-F278 HydrophobicContact CZ3-CD1 4.11Å; W147-F278 AromaticContact CZ3-CE1 3.84Å; W147-F278 HydrophobicContact CZ3-CE1 3.84Å; W147-F278 HydrophobicContact CZ3-CZ 4.27Å; L150-F278 HydrophobicContact CD1-CB 4.42Å; L150-F278 HydrophobicContact CD1-CD2 3.52Å; L150-F278 HydrophobicContact CD1-CE2 3.96Å; L150-F278 HydrophobicContact CD1-CG 4.03Å; L274-F278 HydrophobicContact CD2-CB 4.43Å; F278-V280 VanDerWaalsContact C-N 3.34Å; F278-V280 PolarHBondContact O-N 3.04Å; F278-Q281 WeakPolarHBondContact O-CB 3.46Å; F278-Q281 PolarHBondContact O-N 2.98Å; F278-I282 HydrophobicContact CZ-CB 4.49Å; F278-I282 HydrophobicContact CZ-CD1 4.19Å; F278-I282 WeakPolarHBondContact O-CG2 3.05Å; F278-I282 PolarHBondContact O-N 3.44Å
279	L	95.8	Very high	90.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-42.6	-179.3	-64.5	-175	0	0	0	112	L45 D48 I49 V52 I61 I74 L76 L103 F105 I282 M283	L45-L279 HydrophobicContact CD1-CD1 4.21Å; D48-L279 HydrophobicContact CB-CB 4.41Å; D48-L279 HydrophobicContact CB-CD1 3.99Å; D48-L279 HydrophobicContact CB-CG 4.03Å; D48-L279 PolarHBondContact OD2-N 3.06Å; D48-L279 VanDerWaalsContact OD2-N 3.13Å; I49-L279 HydrophobicContact CG1-CD1 4.02Å; V52-L279 HydrophobicContact CG2-CB 3.65Å; I61-L279 HydrophobicContact CD1-CD1 3.98Å; I74-L279 HydrophobicContact CG2-CD1 4.01Å; I74-L279 HydrophobicContact CG2-CD2 4.1Å; L76-L279 HydrophobicContact CD1-CD2 4.48Å; L103-L279 HydrophobicContact CD1-CD2 3.92Å; F105-L279 HydrophobicContact CE2-CD2 3.81Å; F105-L279 HydrophobicContact CZ-CD2 3.76Å; L279-I282 WeakPolarHBondContact O-CG2 3.26Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 PolarHBondContact O-N 3.22Å; L279-M283 VanDerWaalsContact O-N 3.11Å
280	V	94.1	Very high	90.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-35.6	173.8	178.1	0	0	0	0	111.5	A51 V52 I55 Y56 Y276 F278 K284	A51-V280 HydrophobicContact CB-CG2 4.04Å; V52-V280 HydrophobicContact CB-CG2 4.46Å; V52-V280 HydrophobicContact CG2-CG2 3.66Å; I55-V280 HydrophobicContact CD1-CG1 3.76Å; I55-V280 HydrophobicContact CD1-CG2 4Å; Y56-V280 HydrophobicContact CE2-CG1 4.48Å; Y276-V280 WeakPolarHBondContact O-CB 3.23Å; Y276-V280 WeakPolarHBondContact O-CG2 3.5Å; F278-V280 VanDerWaalsContact C-N 3.34Å; F278-V280 PolarHBondContact O-N 3.04Å; V280-K284 HydrophobicContact CG1-CD 3.87Å; V280-K284 VanDerWaalsContact CG1-CE 3.5Å; V280-K284 HydrophobicContact CG1-CG 4.29Å; V280-K284 WeakPolarHBondContact O-CB 3.26Å; V280-K284 WeakPolarHBondContact O-CG 3.24Å; V280-K284 PolarHBondContact O-N 2.94Å
281	Q	94.6	Very high	89.6	Confident	3 Å²	3	28.3 Å²	28.3	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-49.3	178.8	-164.2	-155.8	30.5	0	0	111.7	F142 Q146 P272 L274 G277 F278 K284 Y285	F142-Q281 HydrophobicContact CZ-CG 4.17Å; Q146-Q281 VanDerWaalsContact OE1-NE2 3.07Å; P272-Q281 HydrophobicContact CB-CG 4.04Å; P272-Q281 WeakPolarHBondContact O-CG 3.43Å; P272-Q281 PolarHBondContact O-NE2 2.68Å; L274-Q281 HydrophobicContact CD2-CB 4Å; L274-Q281 VanDerWaalsContact CD2-CD 3.4Å; L274-Q281 HydrophobicContact CD2-CG 4.08Å; L274-Q281 VanDerWaalsContact CD2-OE1 3.26Å; L274-Q281 HydrophobicContact CG-CG 4.49Å; G277-Q281 WeakPolarHBondContact O-CB 3.29Å; G277-Q281 PolarHBondContact O-N 3.05Å; F278-Q281 WeakPolarHBondContact O-CB 3.46Å; F278-Q281 PolarHBondContact O-N 2.98Å; Q281-K284 PolarHBondContact O-N 2.92Å; Q281-Y285 WeakPolarHBondContact O-CB 3.3Å; Q281-Y285 PolarHBondContact O-N 3.11Å
282	I	95	Very high	89	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.4	-33.1	-179.9	-165.3	171.2	0	0	0	112	L76 L101 L103 L139 F142 T143 F278 L279 Y285 S286	L76-I282 HydrophobicContact CD1-CG2 3.86Å; L101-I282 HydrophobicContact CD2-CD1 4.21Å; L101-I282 HydrophobicContact CD2-CG1 4.06Å; L101-I282 HydrophobicContact CD2-CG2 4.37Å; L103-I282 HydrophobicContact CD1-CD1 4.31Å; L103-I282 HydrophobicContact CD1-CG2 3.92Å; L103-I282 HydrophobicContact CD2-CD1 4.03Å; L139-I282 HydrophobicContact CD2-CG1 4.2Å; F142-I282 HydrophobicContact CD1-CD1 4.28Å; F142-I282 HydrophobicContact CD1-CG1 4.02Å; F142-I282 HydrophobicContact CE1-CB 3.98Å; F142-I282 HydrophobicContact CE1-CG1 3.96Å; T143-I282 WeakPolarHBondContact OG1-CD1 3.49Å; F278-I282 HydrophobicContact CZ-CB 4.49Å; F278-I282 HydrophobicContact CZ-CD1 4.19Å; F278-I282 WeakPolarHBondContact O-CG2 3.05Å; F278-I282 PolarHBondContact O-N 3.44Å; L279-I282 WeakPolarHBondContact O-CG2 3.26Å; I282-Y285 PolarHBondContact O-N 2.76Å; I282-S286 WeakPolarHBondContact O-CB 3.17Å; I282-S286 PolarHBondContact O-N 3.1Å; I282-S286 PolarHBondContact O-OG 3.35Å
283	M	93.1	Very high	88.4	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-51.3	172.5	-168.8	163.3	-179.9	0	0	111.3	V52 Y56 A60 L76 L279 Y285 S286 E287	V52-M283 HydrophobicContact CG1-SD 4.04Å; Y56-M283 HydrophobicContact CD1-CE 3.67Å; Y56-M283 HydrophobicContact CD1-SD 4.35Å; Y56-M283 HydrophobicContact CD2-CE 3.98Å; Y56-M283 HydrophobicContact CD2-SD 3.62Å; Y56-M283 HydrophobicContact CE1-CE 3.8Å; Y56-M283 HydrophobicContact CE1-CG 4.37Å; Y56-M283 HydrophobicContact CE1-SD 4.23Å; Y56-M283 HydrophobicContact CE2-CB 4.32Å; Y56-M283 HydrophobicContact CE2-CE 4.1Å; Y56-M283 HydrophobicContact CE2-CG 3.91Å; Y56-M283 HydrophobicContact CE2-SD 3.48Å; Y56-M283 WeakPolarHBondContact CE2-SD 3.49Å; Y56-M283 HydrophobicContact CG-CE 3.76Å; Y56-M283 HydrophobicContact CG-SD 4.05Å; A60-M283 HydrophobicContact CB-CE 4.27Å; L76-M283 HydrophobicContact CD1-CB 4.48Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 PolarHBondContact O-N 3.22Å; L279-M283 VanDerWaalsContact O-N 3.11Å; M283-Y285 VanDerWaalsContact C-N 3.31Å; M283-Y285 PolarHBondContact O-N 2.65Å; M283-S286 WeakPolarHBondContact O-CB 3.37Å; M283-S286 PolarHBondContact O-N 3.14Å; M283-S286 VanDerWaalsContact O-N 3.12Å; M283-E287 WeakPolarHBondContact O-CG 3.31Å; M283-E287 PolarHBondContact O-N 2.94Å
284	K	91.6	Very high	87.5	Confident	49 Å²	49	20 Å²	20	21%	0.213	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-38.5	175.3	-74.2	177.4	179.2	166.5	0	112.7	Y56 P272 V280 Q281 E287 Q288	Y56-K284 WeakPolarHBondContact OH-CG 3.15Å; P272-K284 HydrophobicContact CB-CB 4.02Å; P272-K284 HydrophobicContact CG-CB 3.92Å; V280-K284 HydrophobicContact CG1-CD 3.87Å; V280-K284 VanDerWaalsContact CG1-CE 3.5Å; V280-K284 HydrophobicContact CG1-CG 4.29Å; V280-K284 WeakPolarHBondContact O-CB 3.26Å; V280-K284 WeakPolarHBondContact O-CG 3.24Å; V280-K284 PolarHBondContact O-N 2.94Å; Q281-K284 PolarHBondContact O-N 2.92Å; K284-E287 PolarHBondContact O-N 2.59Å; K284-Q288 VanDerWaalsContact O-CG 3.26Å; K284-Q288 WeakPolarHBondContact O-CG 3.36Å; K284-Q288 PolarHBondContact O-N 2.65Å; K284-Q288 VanDerWaalsContact O-N 3.08Å
285	Y	93.3	Very high	86.6	Confident	18 Å²	18	20.8 Å²	20.8	7%	0.071	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-41.1	176.9	-174.7	-115.5	0	0	0	110.8	I138 L139 F142 Q281 I282 M283 Q288 R289	I138-Y285 HydrophobicContact CG2-CE1 3.96Å; L139-Y285 HydrophobicContact CD2-CD1 3.77Å; L139-Y285 HydrophobicContact CD2-CE1 4.25Å; F142-Y285 HydrophobicContact CB-CD1 4.02Å; F142-Y285 HydrophobicContact CB-CE1 3.62Å; F142-Y285 HydrophobicContact CD1-CD1 4.01Å; F142-Y285 HydrophobicContact CD1-CE1 4.47Å; F142-Y285 AromaticContact CD2-CD1 3.46Å; F142-Y285 HydrophobicContact CD2-CD1 3.46Å; F142-Y285 VanDerWaalsContact CD2-CD1 3.46Å; F142-Y285 HydrophobicContact CD2-CD2 4.21Å; F142-Y285 AromaticContact CD2-CE1 3.44Å; F142-Y285 HydrophobicContact CD2-CE1 3.44Å; F142-Y285 VanDerWaalsContact CD2-CE1 3.44Å; F142-Y285 HydrophobicContact CD2-CE2 4.17Å; F142-Y285 AromaticContact CD2-CG 3.86Å; F142-Y285 HydrophobicContact CD2-CG 3.86Å; F142-Y285 AromaticContact CD2-CZ 3.8Å; F142-Y285 HydrophobicContact CE1-CD1 4.36Å; F142-Y285 AromaticContact CE2-CD1 3.83Å; F142-Y285 HydrophobicContact CE2-CD1 3.83Å; F142-Y285 HydrophobicContact CE2-CD2 4.07Å; F142-Y285 HydrophobicContact CE2-CE1 4.2Å; F142-Y285 HydrophobicContact CE2-CE2 4.4Å; F142-Y285 AromaticContact CE2-CG 3.75Å; F142-Y285 HydrophobicContact CE2-CG 3.75Å; F142-Y285 AromaticContact CG-CD1 3.55Å; F142-Y285 HydrophobicContact CG-CD1 3.55Å; F142-Y285 AromaticContact CG-CE1 3.59Å; F142-Y285 HydrophobicContact CG-CE1 3.59Å; F142-Y285 HydrophobicContact CG-CG 4.33Å; F142-Y285 HydrophobicContact CZ-CD1 4.27Å; F142-Y285 HydrophobicContact CZ-CG 4.16Å; Q281-Y285 WeakPolarHBondContact O-CB 3.3Å; Q281-Y285 PolarHBondContact O-N 3.11Å; I282-Y285 PolarHBondContact O-N 2.76Å; M283-Y285 VanDerWaalsContact C-N 3.31Å; M283-Y285 PolarHBondContact O-N 2.65Å; Y285-Q288 PolarHBondContact O-N 3.49Å; Y285-R289 HydrophobicContact CD1-CG 4.13Å; Y285-R289 HydrophobicContact CD2-CG 4.36Å; Y285-R289 HydrophobicContact CE1-CG 3.77Å; Y285-R289 HydrophobicContact CE2-CG 4.05Å; Y285-R289 HydrophobicContact CG-CG 4.41Å; Y285-R289 WeakPolarHBondContact O-CG 3.37Å; Y285-R289 PolarHBondContact O-N 3.43Å
286	S	91.1	Very high	86.3	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.5	-54.8	0	0	0	0	111.9	I78 L139 I282 M283 Q288 R289 I290	I78-S286 VanDerWaalsContact CD1-CB 3.44Å; L139-S286 WeakPolarHBondContact CD1-OG 3.09Å; L139-S286 VanDerWaalsContact CD2-OG 3.31Å; L139-S286 WeakPolarHBondContact CD2-OG 3.24Å; I282-S286 WeakPolarHBondContact O-CB 3.17Å; I282-S286 PolarHBondContact O-N 3.1Å; I282-S286 PolarHBondContact O-OG 3.35Å; M283-S286 WeakPolarHBondContact O-CB 3.37Å; M283-S286 PolarHBondContact O-N 3.14Å; M283-S286 VanDerWaalsContact O-N 3.12Å; S286-Q288 VanDerWaalsContact C-N 3.27Å; S286-Q288 PolarHBondContact O-N 3.1Å; S286-R289 PolarHBondContact O-N 3.25Å; S286-I290 WeakPolarHBondContact O-CD1 3.48Å; S286-I290 VanDerWaalsContact O-CG1 3.25Å; S286-I290 WeakPolarHBondContact O-CG1 3.41Å; S286-I290 PolarHBondContact O-N 2.98Å
287	E	86.4	Confident	85.7	Confident	68 Å²	68	14.2 Å²	14.2	32%	0.318	7%	0.07	S	C	.	.	H	α-helix	trans	-60.2	-34.1	175.4	-68.5	-177.8	132.1	0	0	112.9	Y56 I78 M283 K284 P291	Y56-E287 WeakPolarHBondContact CE1-OE1 3.27Å; Y56-E287 WeakPolarHBondContact CE1-OE2 3.15Å; Y56-E287 PolarHBondContact OH-OE2 3.06Å; I78-E287 HydrophobicContact CG2-CG 4.14Å; M283-E287 WeakPolarHBondContact O-CG 3.31Å; M283-E287 PolarHBondContact O-N 2.94Å; K284-E287 PolarHBondContact O-N 2.59Å; E287-P291 WeakPolarHBondContact O-CD 3.19Å; E287-P291 WeakPolarHBondContact O-CG 3.24Å
288	Q	84.5	Confident	85	Confident	47 Å²	47	14.4 Å²	14.4	22%	0.22	7%	0.071	C	C	.	.	H	α-helix	trans	-75.2	-36.3	174.7	-70.6	170.1	7.6	0	0	113.2	F259 N270 K284 Y285 S286	F259-Q288 HydrophobicContact CZ-CG 4.45Å; N270-Q288 PolarHBondContact O-OE1 3.36Å; K284-Q288 VanDerWaalsContact O-CG 3.26Å; K284-Q288 WeakPolarHBondContact O-CG 3.36Å; K284-Q288 PolarHBondContact O-N 2.65Å; K284-Q288 VanDerWaalsContact O-N 3.08Å; Y285-Q288 PolarHBondContact O-N 3.49Å; S286-Q288 VanDerWaalsContact C-N 3.27Å; S286-Q288 PolarHBondContact O-N 3.1Å
289	R	86.8	Confident	84.2	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-73	-50.3	178.6	-65.5	-52	-69.7	136.9	-1.1	111.7	L135 I138 C268 Y285 S286 P291 T292 L293 Y296 D301	L135-R289 HydrophobicContact CD1-CB 4.46Å; I138-R289 HydrophobicContact CG2-CG 4.04Å; C268-R289 WeakPolarHBondContact O-CD 3.48Å; C268-R289 PolarHBondContact O-NH1 3.4Å; C268-R289 PolarHBondContact SG-NH1 3.49Å; C268-R289 VanDerWaalsContact SG-NH1 3.41Å; Y285-R289 HydrophobicContact CD1-CG 4.13Å; Y285-R289 HydrophobicContact CD2-CG 4.36Å; Y285-R289 HydrophobicContact CE1-CG 3.77Å; Y285-R289 HydrophobicContact CE2-CG 4.05Å; Y285-R289 HydrophobicContact CG-CG 4.41Å; Y285-R289 WeakPolarHBondContact O-CG 3.37Å; Y285-R289 PolarHBondContact O-N 3.43Å; S286-R289 PolarHBondContact O-N 3.25Å; R289-P291 VanDerWaalsContact C-CD 3.49Å; R289-T292 PolarHBondContact NH1-OG1 3.1Å; R289-T292 CarbonylContact O-C 3.57Å; R289-T292 WeakPolarHBondContact O-CA 3.46Å; R289-T292 PolarHBondContact O-N 2.79Å; R289-T292 PolarHBondContact O-OG1 3.12Å; R289-L293 HydrophobicContact CB-CD2 4.05Å; R289-L293 WeakPolarHBondContact O-CG 3.36Å; R289-L293 PolarHBondContact O-N 3.05Å; R289-Y296 VanDerWaalsContact NH2-CG 3.33Å; R289-D301 IonicContact CZ-OD1 3.43Å; R289-D301 IonicContact CZ-OD2 2.75Å; R289-D301 IonicContact NE-OD2 3.52Å; R289-D301 VanDerWaalsContact NH2-CG 3.28Å; R289-D301 IonicContact NH2-OD1 2.81Å; R289-D301 PolarHBondContact NH2-OD1 3.1Å; R289-D301 IonicContact NH2-OD2 3.83Å; R289-D301 PolarHBondContact NH2-OD2 2.89Å
290	I	84.3	Confident	83.4	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-46.6	-49.8	-169.8	-72.5	160.8	0	0	0	114	I78 F82 W91 I99 L135 S286 T292 L293	I78-I290 HydrophobicContact CD1-CD1 4.23Å; I78-I290 HydrophobicContact CG2-CD1 3.78Å; F82-I290 HydrophobicContact CE2-CG2 4.45Å; F82-I290 HydrophobicContact CZ-CB 4.48Å; F82-I290 HydrophobicContact CZ-CG2 3.83Å; W91-I290 WeakPolarHBondContact CH2-O 3.3Å; W91-I290 HydrophobicContact CZ3-CG2 4.31Å; I99-I290 HydrophobicContact CD1-CD1 4.43Å; L135-I290 HydrophobicContact CD1-CG1 4.16Å; L135-I290 HydrophobicContact CD2-CD1 3.93Å; L135-I290 HydrophobicContact CD2-CG1 3.79Å; S286-I290 WeakPolarHBondContact O-CD1 3.48Å; S286-I290 VanDerWaalsContact O-CG1 3.25Å; S286-I290 WeakPolarHBondContact O-CG1 3.41Å; S286-I290 PolarHBondContact O-N 2.98Å; I290-T292 PolarHBondContact O-N 3.02Å; I290-T292 VanDerWaalsContact O-N 3.14Å; I290-L293 HydrophobicContact CG1-CD1 4.45Å
291	P	76.4	Confident	83	Confident	42 Å²	42	18.1 Å²	18.1	27%	0.273	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-65.9	-16.3	-178.8	-18.2	30.3	0	0	0	114.7	F82 E287 R289 N294	F82-P291 HydrophobicContact CE2-CB 4.4Å; F82-P291 HydrophobicContact CE2-CG 3.82Å; F82-P291 HydrophobicContact CZ-CG 4.09Å; E287-P291 WeakPolarHBondContact O-CD 3.19Å; E287-P291 WeakPolarHBondContact O-CG 3.24Å; R289-P291 VanDerWaalsContact C-CD 3.49Å; P291-N294 PolarHBondContact O-OD1 3.05Å
292	T	75.1	Confident	82.3	Confident	19 Å²	19	22.2 Å²	22.2	12%	0.117	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-117.8	-4.2	-172.4	67.2	0	0	0	0	114	C268 R289 I290 N294 E295 Y296	C268-T292 HydrophobicContact CB-CG2 3.88Å; R289-T292 PolarHBondContact NH1-OG1 3.1Å; R289-T292 CarbonylContact O-C 3.57Å; R289-T292 WeakPolarHBondContact O-CA 3.46Å; R289-T292 PolarHBondContact O-N 2.79Å; R289-T292 PolarHBondContact O-OG1 3.12Å; I290-T292 PolarHBondContact O-N 3.02Å; I290-T292 VanDerWaalsContact O-N 3.14Å; T292-N294 VanDerWaalsContact C-OD1 3.28Å; T292-N294 PolarHBondContact O-N 2.8Å; T292-N294 PolarHBondContact O-OD1 2.98Å; T292-E295 VanDerWaalsContact O-CB 3.31Å; T292-E295 WeakPolarHBondContact O-CB 3.4Å; T292-E295 PolarHBondContact O-N 3.27Å; T292-Y296 VanDerWaalsContact O-CD2 3.28Å; T292-Y296 WeakPolarHBondContact O-CD2 3.33Å
293	L	78	Confident	81.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-49.9	-36	-176	-73.2	176.8	0	0	0	113.6	L131 Q134 L135 I138 R289 I290 E295 Y296	L131-L293 HydrophobicContact CD1-CB 3.83Å; L131-L293 HydrophobicContact CD1-CD1 3.62Å; L131-L293 HydrophobicContact CD1-CG 4.37Å; L131-L293 HydrophobicContact CD2-CD1 3.94Å; L131-L293 HydrophobicContact CG-CD1 3.57Å; Q134-L293 HydrophobicContact CG-CD2 4.37Å; Q134-L293 PolarHBondContact NE2-O 2.84Å; L135-L293 HydrophobicContact CB-CD1 4.12Å; L135-L293 HydrophobicContact CD1-CD1 4.31Å; I138-L293 HydrophobicContact CD1-CD2 3.33Å; R289-L293 HydrophobicContact CB-CD2 4.05Å; R289-L293 WeakPolarHBondContact O-CG 3.36Å; R289-L293 PolarHBondContact O-N 3.05Å; I290-L293 HydrophobicContact CG1-CD1 4.45Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 3.39Å; L293-Y296 PolarHBondContact O-N 2.99Å
294	N	69.1	Low	79.6	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.011	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.3	-8.4	178	64.2	-37.5	0	0	0	115.6	W91 P291 T292 M311 P465	W91-N294 HydrophobicContact CZ2-CB 4.16Å; P291-N294 PolarHBondContact O-OD1 3.05Å; T292-N294 VanDerWaalsContact C-OD1 3.28Å; T292-N294 PolarHBondContact O-N 2.8Å; T292-N294 PolarHBondContact O-OD1 2.98Å; N294-M311 VanDerWaalsContact CB-O 3.22Å; N294-M311 WeakPolarHBondContact CB-O 3.17Å; N294-M311 PolarHBondContact ND2-O 3.36Å; N294-M311 PolarHBondContact O-N 3Å; N294-P465 WeakPolarHBondContact ND2-CG 3.29Å
295	E	70.3	Confident	77.6	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-84.4	-15.9	167	-64.9	-168.4	170.3	0	0	112.8	T292 L293 H304	T292-E295 VanDerWaalsContact O-CB 3.31Å; T292-E295 WeakPolarHBondContact O-CB 3.4Å; T292-E295 PolarHBondContact O-N 3.27Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 3.39Å; E295-H304 PolarHBondContact O-CD2 3.13Å; E295-H304 PolarHBondContact O-N 3.18Å
296	Y	77.6	Confident	75.1	Confident	6 Å²	6	32.9 Å²	32.9	2%	0.024	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-115.3	146.9	-173.8	-63	-87.9	0	0	0	111.4	Q134 G265 C268 K269 R289 T292 L293 D301 E302 Q303	Q134-Y296 PolarHBondContact NE2-O 2.87Å; G265-Y296 PolarHBondContact O-OH 3.27Å; C268-Y296 PolarHBondContact SG-OH 3.04Å; K269-Y296 HydrophobicContact CD-CE1 4.27Å; R289-Y296 VanDerWaalsContact NH2-CG 3.33Å; T292-Y296 VanDerWaalsContact O-CD2 3.28Å; T292-Y296 WeakPolarHBondContact O-CD2 3.33Å; L293-Y296 PolarHBondContact O-N 2.99Å; Y296-D301 WeakPolarHBondContact CB-OD1 3.43Å; Y296-D301 WeakPolarHBondContact CD1-O 3.21Å; Y296-E302 WeakPolarHBondContact CA-O 3.5Å; Y296-Q303 HydrophobicContact CD1-CB 3.95Å; Y296-Q303 HydrophobicContact CD1-CG 4.46Å; Y296-Q303 VanDerWaalsContact CD1-N 3.33Å; Y296-Q303 HydrophobicContact CE1-CB 3.62Å; Y296-Q303 HydrophobicContact CE1-CG 4.03Å
297	C	76.2	Confident	72.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-74.2	129.1	-178.4	167.3	0	0	0	0	112.7	V299 C300 D301 E302 A315 C317	C297-V299 PolarHBondContact O-N 3.35Å; C297-C300 WeakPolarHBondContact CB-SG 3.36Å; C297-C300 PolarHBondContact O-N 3.23Å; C297-C300 VanDerWaalsContact O-N 3.09Å; C297-C300 PolarHBondContact SG-SG 2.87Å; C297-D301 WeakPolarHBondContact O-CA 3.39Å; C297-D301 PolarHBondContact O-N 3.44Å; C297-E302 PolarHBondContact N-O 2.8Å; C297-A315 CarbonylContact C-O 3.55Å; C297-A315 VanDerWaalsContact CA-O 3.24Å; C297-A315 WeakPolarHBondContact CA-O 3.45Å; C297-C317 HydrophobicContact CB-CB 3.69Å; C297-C317 PolarHBondContact SG-N 2.82Å; C297-C317 VanDerWaalsContact SG-SG 3.61Å
298	V	77.4	Confident	69.9	Low	4 Å²	4	43 Å²	43	2%	0.024	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.5	-178.1	-62.9	0	0	0	0	114.9	Q134 P314 A315 V316 F326 M332 A335	Q134-V298 HydrophobicContact CG-CG1 4.35Å; V298-P314 HydrophobicContact CG1-CB 3.28Å; V298-A315 PolarHBondContact N-O 3.16Å; V298-V316 HydrophobicContact CG2-CG2 4.28Å; V298-F326 HydrophobicContact CG2-CD2 3.86Å; V298-F326 HydrophobicContact CG2-CE2 3.94Å; V298-M332 HydrophobicContact CB-CB 4.23Å; V298-M332 HydrophobicContact CB-CE 4.4Å; V298-M332 HydrophobicContact CB-CG 4.19Å; V298-M332 HydrophobicContact CG2-CB 3.99Å; V298-M332 HydrophobicContact CG2-CG 4.2Å; V298-A335 HydrophobicContact CG1-CB 4.42Å
299	V	77.2	Confident	68	Low	17 Å²	17	41.6 Å²	41.6	10%	0.103	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-30.8	-175.7	-176.8	0	0	0	0	112.2	K137 C297 V316 C322 F326	K137-V299 WeakPolarHBondContact CE-O 3.48Å; K137-V299 PolarHBondContact NZ-O 2.8Å; C297-V299 PolarHBondContact O-N 3.35Å; V299-V316 HydrophobicContact CG2-CG1 4.19Å; V299-C322 HydrophobicContact CB-CB 4.03Å; V299-C322 HydrophobicContact CG1-CB 4.22Å; V299-C322 HydrophobicContact CG2-CB 4.38Å; V299-F326 HydrophobicContact CG2-CB 3.93Å; V299-F326 HydrophobicContact CG2-CD2 4.17Å
300	C	80.5	Confident	65.8	Low	36 Å²	36	41.9 Å²	41.9	24%	0.243	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146	2.1	-159	62.2	0	0	0	0	114.7	C297 E302 C317 R319 C322	C297-C300 WeakPolarHBondContact CB-SG 3.36Å; C297-C300 PolarHBondContact O-N 3.23Å; C297-C300 VanDerWaalsContact O-N 3.09Å; C297-C300 PolarHBondContact SG-SG 2.87Å; C300-E302 PolarHBondContact O-N 2.93Å; C300-C317 VanDerWaalsContact SG-SG 3.69Å; C300-R319 VanDerWaalsContact CB-NH2 3.26Å; C300-R319 PolarHBondContact SG-NH2 3.34Å; C300-C322 PolarHBondContact SG-SG 2.76Å
301	D	85.2	Confident	64.3	Low	27 Å²	27	42.5 Å²	42.5	14%	0.144	23%	0.225	C	C	.	.			trans	49.6	25.1	-179.6	-159.5	48.8	0	0	0	115.3	I138 K269 R289 Y296 C297	I138-D301 WeakPolarHBondContact CD1-OD1 3.49Å; I138-D301 HydrophobicContact CG1-CB 4.26Å; K269-D301 WeakPolarHBondContact CE-O 3.48Å; K269-D301 VanDerWaalsContact CE-OD2 3.24Å; K269-D301 WeakPolarHBondContact CE-OD2 2.97Å; K269-D301 PolarHBondContact NZ-O 3.07Å; K269-D301 IonicContact NZ-OD2 3.51Å; R289-D301 IonicContact CZ-OD1 3.43Å; R289-D301 IonicContact CZ-OD2 2.75Å; R289-D301 IonicContact NE-OD2 3.52Å; R289-D301 VanDerWaalsContact NH2-CG 3.28Å; R289-D301 IonicContact NH2-OD1 2.81Å; R289-D301 PolarHBondContact NH2-OD1 3.1Å; R289-D301 IonicContact NH2-OD2 3.83Å; R289-D301 PolarHBondContact NH2-OD2 2.89Å; Y296-D301 WeakPolarHBondContact CB-OD1 3.43Å; Y296-D301 WeakPolarHBondContact CD1-O 3.21Å; C297-D301 WeakPolarHBondContact O-CA 3.39Å; C297-D301 PolarHBondContact O-N 3.44Å
302	E	79.1	Confident	63.3	Low	89 Å²	89	40.7 Å²	40.7	42%	0.416	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-93.2	145.5	173.3	-72.2	-52.6	153.7	0	0	112.9	K269 Y296 C297 C300 R319	K269-E302 IonicContact NZ-OE1 3.78Å; K269-E302 IonicContact NZ-OE2 3.43Å; Y296-E302 WeakPolarHBondContact CA-O 3.5Å; C297-E302 PolarHBondContact N-O 2.8Å; C300-E302 PolarHBondContact O-N 2.93Å; E302-R319 VanDerWaalsContact CB-NH2 3.34Å
303	Q	72	Confident	62.5	Low	91 Å²	91	42 Å²	42	43%	0.425	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-63.6	137.8	-174.9	-158.1	179.8	30.2	0	0	110.1	Y296 V305	Y296-Q303 HydrophobicContact CD1-CB 3.95Å; Y296-Q303 HydrophobicContact CD1-CG 4.46Å; Y296-Q303 VanDerWaalsContact CD1-N 3.33Å; Y296-Q303 HydrophobicContact CE1-CB 3.62Å; Y296-Q303 HydrophobicContact CE1-CG 4.03Å; Q303-V305 PolarHBondContact O-N 3.46Å
304	H	59.7	Low	61.7	Low	16 Å²	16	42.3 Å²	42.3	7%	0.074	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.6	127.2	177.4	-70.1	-62	0	0	0	111.2	E295 F306	E295-H304 PolarHBondContact O-CD2 3.13Å; E295-H304 PolarHBondContact O-N 3.18Å; H304-F306 HydrophobicContact CB-CD2 3.98Å; H304-F306 HydrophobicContact CB-CE2 4.44Å; H304-F306 PolarHBondContact O-N 3.29Å
305	V	49.4	Very low	61.5	Low	125 Å²	125	42.6 Å²	42.6	76%	0.758	22%	0.222	S	C	*	.			trans	-66.4	1.4	-173.2	-171.7	0	0	0	0	114.3	Q303 Q307	Q303-V305 PolarHBondContact O-N 3.46Å; V305-Q307 PolarHBondContact O-N 2.74Å
306	F	41.8	Very low	61.3	Low	61 Å²	61	42 Å²	42	27%	0.268	22%	0.221	S	C	.	.			trans	-80.7	118.1	-174.9	-54.9	-88.3	0	0	0	110.4	H304 N308 T318	H304-F306 HydrophobicContact CB-CD2 3.98Å; H304-F306 HydrophobicContact CB-CE2 4.44Å; H304-F306 PolarHBondContact O-N 3.29Å; F306-N308 PolarHBondContact O-N 2.8Å; F306-T318 HydrophobicContact CZ-CG2 4.07Å
307	Q	33.5	Very low	60.7	Low	190 Å²	190	42 Å²	42	89%	0.888	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.7	-169.5	-68	176.3	-23.1	0	0	115.9	V305	V305-Q307 PolarHBondContact O-N 2.74Å
308	N	34.6	Very low	59.9	Low	90 Å²	90	45.1 Å²	45.1	48%	0.481	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	60.7	-177.5	-75.4	-54.6	0	0	0	113.8	F306	F306-N308 PolarHBondContact O-N 2.8Å
309	G	43.1	Very low	59.1	Low	19 Å²	19	50.5 Å²	50.5	20%	0.196	26%	0.261	C	S	.	.			trans	145.2	135.6	150.2	0	0	0	0	0	119.1
310	S	41.7	Very low	58.3	Low	5 Å²	5	54 Å²	54	4%	0.035	28%	0.277	C	S	.	.			trans	-46.9	135.3	157.9	59.4	0	0	0	0	112.6	P464 P465 A466	S310-P464 WeakPolarHBondContact O-CA 3.44Å; S310-P464 WeakPolarHBondContact O-CB 3.43Å; S310-P465 WeakPolarHBondContact O-CD 3.4Å; S310-P465 VanDerWaalsContact OG-CD 3.24Å; S310-P465 WeakPolarHBondContact OG-CD 3.46Å; S310-A466 PolarHBondContact OG-N 2.64Å
311	M	52.3	Low	57.7	Low	13 Å²	13	58.9 Å²	58.9	6%	0.064	30%	0.299	C	S	.	.			trans	-72	159.4	175.7	-60.6	-165.9	47.9	0	0	110.2	N294 K313 A315 R437 P465	N294-M311 VanDerWaalsContact CB-O 3.22Å; N294-M311 WeakPolarHBondContact CB-O 3.17Å; N294-M311 PolarHBondContact ND2-O 3.36Å; N294-M311 PolarHBondContact O-N 3Å; M311-K313 WeakPolarHBondContact CB-O 3.47Å; M311-A315 HydrophobicContact CB-CB 4.44Å; M311-A315 HydrophobicContact CE-CB 3.2Å; M311-A315 HydrophobicContact CG-CB 4.35Å; M311-A315 HydrophobicContact SD-CB 3.23Å; M311-A315 WeakPolarHBondContact SD-CB 3.32Å; M311-R437 HydrophobicContact CB-CG 4.42Å; M311-R437 HydrophobicContact CE-CG 3.67Å; M311-R437 HydrophobicContact CG-CG 4.03Å; M311-R437 VanDerWaalsContact CG-NE 3.33Å; M311-R437 HydrophobicContact SD-CG 4.33Å; M311-R437 PolarHBondContact SD-NE 2.86Å; M311-R437 PolarHBondContact SD-NH2 2.79Å; M311-P465 WeakPolarHBondContact O-CD 3.1Å
312	L	54.8	Low	56.8	Low	4 Å²	4	58 Å²	58	2%	0.021	30%	0.295	C	S	.	.	S	Bend	trans	-76.1	-33.9	170.4	-173.1	68.1	0	0	0	110.8	V87 A90 W91 H439 S462 P465	V87-L312 HydrophobicContact CG2-CD1 3.96Å; A90-L312 HydrophobicContact CB-CD1 4.33Å; A90-L312 HydrophobicContact CB-CD2 3.47Å; A90-L312 VanDerWaalsContact CB-CD2 3.47Å; A90-L312 HydrophobicContact CB-CG 3.72Å; W91-L312 PolarHBondContact NE1-O 3.44Å; L312-H439 HydrophobicContact CD2-CB 3.44Å; L312-H439 VanDerWaalsContact CD2-CB 3.44Å; L312-S462 VanDerWaalsContact CD2-OG 3.24Å; L312-S462 WeakPolarHBondContact CD2-OG 3.44Å; L312-P465 HydrophobicContact CD1-CG 3.67Å
313	K	58.5	Low	55.8	Low	47 Å²	47	53.9 Å²	53.9	20%	0.204	28%	0.276	C	S	.	.	S	Bend	trans	-115.8	156.3	-177.2	-62.9	-165	178.9	-124.6	0	111.5	A90 M311 V339	A90-K313 HydrophobicContact CB-CG 4.5Å; A90-K313 WeakPolarHBondContact O-CE 3.37Å; A90-K313 PolarHBondContact O-NZ 3.41Å; M311-K313 WeakPolarHBondContact CB-O 3.47Å; K313-V339 HydrophobicContact CD-CB 4.45Å; K313-V339 HydrophobicContact CD-CG1 4.11Å; K313-V339 HydrophobicContact CD-CG2 3.44Å; K313-V339 VanDerWaalsContact CD-CG2 3.44Å
314	P	61.1	Low	55.2	Low	6 Å²	6	51.8 Å²	51.8	4%	0.039	27%	0.266	C	S	.	.			trans	-53.5	138	172.8	-22.1	33	0	0	0	110.9	L131 V298	L131-P314 HydrophobicContact CD1-CG 4.33Å; V298-P314 HydrophobicContact CG1-CB 3.28Å
315	A	65.5	Low	55.2	Low	9 Å²	9	52.3 Å²	52.3	7%	0.074	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-150.9	170.2	-168.3	0	0	0	0	0	114.7	C297 V298 M311	C297-A315 CarbonylContact C-O 3.55Å; C297-A315 VanDerWaalsContact CA-O 3.24Å; C297-A315 WeakPolarHBondContact CA-O 3.45Å; V298-A315 PolarHBondContact N-O 3.16Å; M311-A315 HydrophobicContact CB-CB 4.44Å; M311-A315 HydrophobicContact CE-CB 3.2Å; M311-A315 HydrophobicContact CG-CB 4.35Å; M311-A315 HydrophobicContact SD-CB 3.23Å; M311-A315 WeakPolarHBondContact SD-CB 3.32Å
316	V	66.8	Low	55.9	Low	26 Å²	26	47.3 Å²	47.3	16%	0.158	24%	0.239	C	C	.	.			trans	-105.5	133.9	-176.6	-162.9	0	0	0	0	110.8	V298 V299 C322 V323 F326 Y327	V298-V316 HydrophobicContact CG2-CG2 4.28Å; V299-V316 HydrophobicContact CG2-CG1 4.19Å; V316-C322 VanDerWaalsContact CG1-C 3.49Å; V316-C322 HydrophobicContact CG1-CB 3.88Å; V316-C322 WeakPolarHBondContact CG1-O 3.35Å; V316-V323 HydrophobicContact CG1-CG2 4.44Å; V316-F326 HydrophobicContact CG1-CB 4.11Å; V316-F326 HydrophobicContact CG2-CB 3.62Å; V316-F326 HydrophobicContact CG2-CD1 3.59Å; V316-F326 HydrophobicContact CG2-CD2 3.49Å; V316-F326 VanDerWaalsContact CG2-CD2 3.49Å; V316-F326 HydrophobicContact CG2-CE1 4.17Å; V316-F326 HydrophobicContact CG2-CE2 4.06Å; V316-F326 HydrophobicContact CG2-CG 3.25Å; V316-F326 HydrophobicContact CG2-CZ 4.4Å; V316-Y327 HydrophobicContact CG2-CE2 4.45Å
317	C	65.1	Low	56.6	Low	8 Å²	8	47.8 Å²	47.8	5%	0.054	24%	0.24	C	C	.	.			trans	-74.2	162.6	171.7	66.7	0	0	0	0	111.5	C297 C300 R319 C322 V323	C297-C317 HydrophobicContact CB-CB 3.69Å; C297-C317 PolarHBondContact SG-N 2.82Å; C297-C317 VanDerWaalsContact SG-SG 3.61Å; C300-C317 VanDerWaalsContact SG-SG 3.69Å; C317-R319 PolarHBondContact O-N 2.63Å; C317-C322 VanDerWaalsContact SG-SG 3.63Å; C317-V323 WeakPolarHBondContact O-CG2 3.49Å
318	T	59.2	Low	57.6	Low	65 Å²	65	42.1 Å²	42.1	40%	0.399	22%	0.218	S	C	.	.	S	Bend	trans	-71.9	9.4	179.8	54	0	0	0	0	115	F306	F306-T318 HydrophobicContact CZ-CG2 4.07Å
319	R	61.1	Low	58.6	Low	116 Å²	116	42.7 Å²	42.7	44%	0.438	22%	0.221	S	C	.	.			trans	-75.5	129.2	175.4	-64	-166.3	-68.4	-175.3	-1.8	109.8	C300 E302 C317 L321 C322 V323	C300-R319 VanDerWaalsContact CB-NH2 3.26Å; C300-R319 PolarHBondContact SG-NH2 3.34Å; E302-R319 VanDerWaalsContact CB-NH2 3.34Å; C317-R319 PolarHBondContact O-N 2.63Å; R319-L321 PolarHBondContact O-N 2.72Å; R319-C322 HydrophobicContact CB-CB 4.39Å; R319-C322 WeakPolarHBondContact O-CA 3.31Å; R319-C322 WeakPolarHBondContact O-CB 3.28Å; R319-C322 PolarHBondContact O-N 2.88Å; R319-V323 PolarHBondContact O-N 3.2Å
320	E	58.6	Low	59.2	Low	92 Å²	92	43.4 Å²	43.4	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-53.5	-48.1	-170.7	-62.4	173.7	165.8	0	0	112.2	C322 V323 F324 L381	E320-C322 VanDerWaalsContact C-N 3.29Å; E320-C322 PolarHBondContact O-N 3.19Å; E320-V323 PolarHBondContact O-N 2.92Å; E320-F324 WeakPolarHBondContact O-CB 3.22Å; E320-F324 PolarHBondContact O-N 3.44Å; E320-L381 HydrophobicContact CG-CD1 3.76Å; E320-L381 HydrophobicContact CG-CD2 4.44Å; E320-L381 HydrophobicContact CG-CG 3.89Å
321	L	69.1	Low	60.1	Low	137 Å²	137	45.7 Å²	45.7	72%	0.717	24%	0.242	S	C	*	.	H	α-helix	trans	-58.3	-36.4	174.8	-64.4	176.7	0	0	0	113.4	R319 S325	R319-L321 PolarHBondContact O-N 2.72Å; L321-S325 WeakPolarHBondContact O-CB 3.33Å; L321-S325 PolarHBondContact O-N 3.35Å; L321-S325 PolarHBondContact O-OG 3.4Å
322	C	65.9	Low	60.4	Low	8 Å²	8	45.9 Å²	45.9	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-74.9	-41.2	-179.7	-56	0	0	0	0	111.7	V299 C300 V316 C317 R319 E320 F324 F326	V299-C322 HydrophobicContact CB-CB 4.03Å; V299-C322 HydrophobicContact CG1-CB 4.22Å; V299-C322 HydrophobicContact CG2-CB 4.38Å; C300-C322 PolarHBondContact SG-SG 2.76Å; V316-C322 VanDerWaalsContact CG1-C 3.49Å; V316-C322 HydrophobicContact CG1-CB 3.88Å; V316-C322 WeakPolarHBondContact CG1-O 3.35Å; C317-C322 VanDerWaalsContact SG-SG 3.63Å; R319-C322 HydrophobicContact CB-CB 4.39Å; R319-C322 WeakPolarHBondContact O-CA 3.31Å; R319-C322 WeakPolarHBondContact O-CB 3.28Å; R319-C322 PolarHBondContact O-N 2.88Å; E320-C322 VanDerWaalsContact C-N 3.29Å; E320-C322 PolarHBondContact O-N 3.19Å; C322-F324 VanDerWaalsContact C-N 3.33Å; C322-F326 VanDerWaalsContact O-CB 3.32Å; C322-F326 WeakPolarHBondContact O-CB 3.49Å; C322-F326 PolarHBondContact O-N 2.91Å
323	V	59	Low	60.4	Low	4 Å²	4	47.3 Å²	47.3	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-45.9	172.9	-178.5	0	0	0	0	109.7	V316 C317 R319 E320 F326 Y327 S371 V373 L381	V316-V323 HydrophobicContact CG1-CG2 4.44Å; C317-V323 WeakPolarHBondContact O-CG2 3.49Å; R319-V323 PolarHBondContact O-N 3.2Å; E320-V323 PolarHBondContact O-N 2.92Å; V323-F326 PolarHBondContact O-N 2.94Å; V323-Y327 HydrophobicContact CB-CD2 4.46Å; V323-Y327 HydrophobicContact CG1-CD2 3.64Å; V323-Y327 HydrophobicContact CG1-CE2 4.04Å; V323-Y327 WeakPolarHBondContact O-CD2 3.42Å; V323-Y327 PolarHBondContact O-N 3.32Å; V323-S371 WeakPolarHBondContact CG1-O 3.33Å; V323-V373 HydrophobicContact CB-CG2 4.31Å; V323-V373 HydrophobicContact CG1-CG2 3.85Å; V323-L381 HydrophobicContact CG1-CD2 4.45Å
324	F	58.2	Low	60.2	Low	46 Å²	46	46.4 Å²	46.4	20%	0.202	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-53.3	177	175.1	-112.8	0	0	0	113.1	E320 C322 F326 T328 L329 V373 P378	E320-F324 WeakPolarHBondContact O-CB 3.22Å; E320-F324 PolarHBondContact O-N 3.44Å; C322-F324 VanDerWaalsContact C-N 3.33Å; F324-F326 PolarHBondContact O-N 3Å; F324-T328 HydrophobicContact CD2-CG2 3.98Å; F324-T328 WeakPolarHBondContact CD2-OG1 3.43Å; F324-T328 HydrophobicContact CE2-CG2 3.5Å; F324-T328 HydrophobicContact CZ-CG2 4.45Å; F324-T328 WeakPolarHBondContact O-CA 3.26Å; F324-T328 VanDerWaalsContact O-CB 3.26Å; F324-T328 WeakPolarHBondContact O-CB 3.46Å; F324-T328 PolarHBondContact O-N 3.4Å; F324-L329 HydrophobicContact CD1-CD1 4.22Å; F324-L329 HydrophobicContact CD1-CG 4.39Å; F324-L329 HydrophobicContact CE1-CD1 3.67Å; F324-L329 HydrophobicContact CE1-CD2 4.15Å; F324-L329 HydrophobicContact CE1-CG 3.83Å; F324-L329 HydrophobicContact CZ-CD1 4.21Å; F324-L329 HydrophobicContact CZ-CD2 3.82Å; F324-L329 HydrophobicContact CZ-CG 3.92Å; F324-L329 PolarHBondContact O-N 2.84Å; F324-V373 HydrophobicContact CB-CG2 4.1Å; F324-V373 HydrophobicContact CD2-CG1 4.23Å; F324-P378 HydrophobicContact CD2-CB 4.19Å; F324-P378 HydrophobicContact CE2-CB 3.54Å; F324-P378 HydrophobicContact CE2-CG 4.25Å; F324-P378 HydrophobicContact CZ-CB 4.02Å
325	S	60.5	Low	59.6	Low	28 Å²	28	46.1 Å²	46.1	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-39.8	178.5	-65	0	0	0	0	111.8	L321 L329 G330 V331	L321-S325 WeakPolarHBondContact O-CB 3.33Å; L321-S325 PolarHBondContact O-N 3.35Å; L321-S325 PolarHBondContact O-OG 3.4Å; S325-L329 CarbonylContact O-C 3.39Å; S325-L329 WeakPolarHBondContact O-CB 3.47Å; S325-L329 PolarHBondContact O-N 3.14Å; S325-G330 PolarHBondContact O-N 3.37Å; S325-V331 VanDerWaalsContact O-CB 3.26Å; S325-V331 WeakPolarHBondContact O-CB 3.45Å; S325-V331 PolarHBondContact O-N 3.38Å
326	F	63.4	Low	58.7	Low	19 Å²	19	47.1 Å²	47.1	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-73.2	-61.1	-179.6	-168.2	-89.3	0	0	0	113	V298 V299 V316 C322 V323 F324 G330 V331 M332 A336	V298-F326 HydrophobicContact CG2-CD2 3.86Å; V298-F326 HydrophobicContact CG2-CE2 3.94Å; V299-F326 HydrophobicContact CG2-CB 3.93Å; V299-F326 HydrophobicContact CG2-CD2 4.17Å; V316-F326 HydrophobicContact CG1-CB 4.11Å; V316-F326 HydrophobicContact CG2-CB 3.62Å; V316-F326 HydrophobicContact CG2-CD1 3.59Å; V316-F326 HydrophobicContact CG2-CD2 3.49Å; V316-F326 VanDerWaalsContact CG2-CD2 3.49Å; V316-F326 HydrophobicContact CG2-CE1 4.17Å; V316-F326 HydrophobicContact CG2-CE2 4.06Å; V316-F326 HydrophobicContact CG2-CG 3.25Å; V316-F326 HydrophobicContact CG2-CZ 4.4Å; C322-F326 VanDerWaalsContact O-CB 3.32Å; C322-F326 WeakPolarHBondContact O-CB 3.49Å; C322-F326 PolarHBondContact O-N 2.91Å; V323-F326 PolarHBondContact O-N 2.94Å; F324-F326 PolarHBondContact O-N 3Å; F326-G330 WeakPolarHBondContact O-CA 3.49Å; F326-G330 PolarHBondContact O-N 2.77Å; F326-V331 VanDerWaalsContact CD2-O 3.3Å; F326-V331 WeakPolarHBondContact CD2-O 3.22Å; F326-M332 HydrophobicContact CD2-CB 4.15Å; F326-M332 HydrophobicContact CE2-CB 4.06Å; F326-M332 WeakPolarHBondContact CE2-O 3.42Å; F326-A336 HydrophobicContact CE1-CB 4.44Å; F326-A336 HydrophobicContact CE2-CB 4.37Å; F326-A336 HydrophobicContact CZ-CB 3.62Å
327	Y	57.2	Low	57.7	Low	71 Å²	71	52 Å²	52	28%	0.278	29%	0.285	S	S	.	.	H	α-helix	trans	-80.9	-21.8	-170.4	-66.7	-75.6	0	0	0	113.8	V316 V323 Q430 S434	V316-Y327 HydrophobicContact CG2-CE2 4.45Å; V323-Y327 HydrophobicContact CB-CD2 4.46Å; V323-Y327 HydrophobicContact CG1-CD2 3.64Å; V323-Y327 HydrophobicContact CG1-CE2 4.04Å; V323-Y327 WeakPolarHBondContact O-CD2 3.42Å; V323-Y327 PolarHBondContact O-N 3.32Å; Y327-Q430 HydrophobicContact CE1-CB 4.42Å; Y327-S434 PolarHBondContact OH-OG 2.96Å
328	T	54.8	Low	56.7	Low	71 Å²	71	55.3 Å²	55.3	44%	0.436	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-37.5	-176.8	-43.9	0	0	0	0	113.1	F324	F324-T328 HydrophobicContact CD2-CG2 3.98Å; F324-T328 WeakPolarHBondContact CD2-OG1 3.43Å; F324-T328 HydrophobicContact CE2-CG2 3.5Å; F324-T328 HydrophobicContact CZ-CG2 4.45Å; F324-T328 WeakPolarHBondContact O-CA 3.26Å; F324-T328 VanDerWaalsContact O-CB 3.26Å; F324-T328 WeakPolarHBondContact O-CB 3.46Å; F324-T328 PolarHBondContact O-N 3.4Å
329	L	55	Low	55.9	Low	103 Å²	103	54.6 Å²	54.6	54%	0.539	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.4	177.8	-55.3	-178.7	0	0	0	113.9	F324 S325 V331	F324-L329 HydrophobicContact CD1-CD1 4.22Å; F324-L329 HydrophobicContact CD1-CG 4.39Å; F324-L329 HydrophobicContact CE1-CD1 3.67Å; F324-L329 HydrophobicContact CE1-CD2 4.15Å; F324-L329 HydrophobicContact CE1-CG 3.83Å; F324-L329 HydrophobicContact CZ-CD1 4.21Å; F324-L329 HydrophobicContact CZ-CD2 3.82Å; F324-L329 HydrophobicContact CZ-CG 3.92Å; F324-L329 PolarHBondContact O-N 2.84Å; S325-L329 CarbonylContact O-C 3.39Å; S325-L329 WeakPolarHBondContact O-CB 3.47Å; S325-L329 PolarHBondContact O-N 3.14Å; L329-V331 HydrophobicContact CB-CG2 3.91Å; L329-V331 PolarHBondContact O-N 3.02Å
330	G	56.3	Low	55	Low	34 Å²	34	54 Å²	54	35%	0.351	32%	0.315	S	S	.	.			trans	65.7	14.3	-177.7	0	0	0	0	0	114.3	S325 F326 M332 S333	S325-G330 PolarHBondContact O-N 3.37Å; F326-G330 WeakPolarHBondContact O-CA 3.49Å; F326-G330 PolarHBondContact O-N 2.77Å; G330-M332 PolarHBondContact O-N 3.02Å; G330-M332 VanDerWaalsContact O-N 3.09Å; G330-S333 WeakPolarHBondContact O-CB 3.24Å; G330-S333 PolarHBondContact O-N 2.72Å
331	V	58.9	Low	55	Low	52 Å²	52	51.4 Å²	51.4	32%	0.315	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	113.8	-178.9	176.6	0	0	0	0	108.6	S325 F326 L329	S325-V331 VanDerWaalsContact O-CB 3.26Å; S325-V331 WeakPolarHBondContact O-CB 3.45Å; S325-V331 PolarHBondContact O-N 3.38Å; F326-V331 VanDerWaalsContact CD2-O 3.3Å; F326-V331 WeakPolarHBondContact CD2-O 3.22Å; L329-V331 HydrophobicContact CB-CG2 3.91Å; L329-V331 PolarHBondContact O-N 3.02Å
332	M	59.8	Low	54.7	Low	17 Å²	17	46.9 Å²	46.9	8%	0.084	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	22.4	-170.1	-41.3	-64.6	-68.6	0	0	114.9	L133 Q134 K137 V298 F326 G330 G334 A335	L133-M332 HydrophobicContact CB-CE 4.22Å; L133-M332 HydrophobicContact CD2-CE 4.09Å; L133-M332 HydrophobicContact CD2-SD 4.27Å; L133-M332 HydrophobicContact CG-CE 3.76Å; L133-M332 HydrophobicContact CG-SD 4.23Å; Q134-M332 HydrophobicContact CB-CE 4.14Å; K137-M332 HydrophobicContact CD-CE 4.25Å; K137-M332 HydrophobicContact CD-SD 3.66Å; V298-M332 HydrophobicContact CB-CB 4.23Å; V298-M332 HydrophobicContact CB-CE 4.4Å; V298-M332 HydrophobicContact CB-CG 4.19Å; V298-M332 HydrophobicContact CG2-CB 3.99Å; V298-M332 HydrophobicContact CG2-CG 4.2Å; F326-M332 HydrophobicContact CD2-CB 4.15Å; F326-M332 HydrophobicContact CE2-CB 4.06Å; F326-M332 WeakPolarHBondContact CE2-O 3.42Å; G330-M332 PolarHBondContact O-N 3.02Å; G330-M332 VanDerWaalsContact O-N 3.09Å; M332-G334 VanDerWaalsContact C-N 3.35Å; M332-G334 PolarHBondContact O-N 3.09Å; M332-A335 HydrophobicContact CB-CB 4Å; M332-A335 HydrophobicContact CE-CB 4.45Å; M332-A335 WeakPolarHBondContact O-CA 3.45Å; M332-A335 WeakPolarHBondContact O-CB 3.24Å; M332-A335 PolarHBondContact O-N 2.98Å
333	S	54.3	Low	54.8	Low	34 Å²	34	48.1 Å²	48.1	24%	0.238	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56.3	-45.7	-176.8	77.5	0	0	0	0	112.5	G330 A335 A336 E337	G330-S333 WeakPolarHBondContact O-CB 3.24Å; G330-S333 PolarHBondContact O-N 2.72Å; S333-A335 PolarHBondContact O-N 3.01Å; S333-A336 PolarHBondContact O-N 2.79Å; S333-E337 WeakPolarHBondContact CB-OE2 3.37Å; S333-E337 WeakPolarHBondContact O-CB 3.45Å; S333-E337 WeakPolarHBondContact O-CG 3.37Å; S333-E337 PolarHBondContact O-N 2.9Å; S333-E337 PolarHBondContact OG-OE2 3.03Å
334	G	53.5	Low	55.5	Low	28 Å²	28	50.2 Å²	50.2	29%	0.289	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58.8	-14	171.9	0	0	0	0	0	115.2	M332 E337	M332-G334 VanDerWaalsContact C-N 3.35Å; M332-G334 PolarHBondContact O-N 3.09Å; G334-E337 PolarHBondContact N-OE2 3.12Å
335	A	49.7	Very low	56.6	Low	1 Å²	1	48.2 Å²	48.2	1%	0.008	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-79.4	-11.6	171.5	0	0	0	0	0	114.4	S130 L133 V298 M332 S333	S130-A335 WeakPolarHBondContact CB-O 3.24Å; S130-A335 WeakPolarHBondContact O-CB 3.28Å; L133-A335 HydrophobicContact CD2-CB 4.47Å; V298-A335 HydrophobicContact CG1-CB 4.42Å; M332-A335 HydrophobicContact CB-CB 4Å; M332-A335 HydrophobicContact CE-CB 4.45Å; M332-A335 WeakPolarHBondContact O-CA 3.45Å; M332-A335 WeakPolarHBondContact O-CB 3.24Å; M332-A335 PolarHBondContact O-N 2.98Å; S333-A335 PolarHBondContact O-N 3.01Å
336	A	46.8	Very low	57.6	Low	30 Å²	30	47.4 Å²	47.4	25%	0.248	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144	-6.9	172.7	0	0	0	0	0	116.6	F326 S333 E338	F326-A336 HydrophobicContact CE1-CB 4.44Å; F326-A336 HydrophobicContact CE2-CB 4.37Å; F326-A336 HydrophobicContact CZ-CB 3.62Å; S333-A336 PolarHBondContact O-N 2.79Å; A336-E338 PolarHBondContact O-N 2.85Å
337	E	45.1	Very low	58.5	Low	129 Å²	129	47.1 Å²	47.1	60%	0.603	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.3	174	-78.5	174.6	141.1	0	0	112.8	S333 G334 V339	S333-E337 WeakPolarHBondContact CB-OE2 3.37Å; S333-E337 WeakPolarHBondContact O-CB 3.45Å; S333-E337 WeakPolarHBondContact O-CG 3.37Å; S333-E337 PolarHBondContact O-N 2.9Å; S333-E337 PolarHBondContact OG-OE2 3.03Å; G334-E337 PolarHBondContact N-OE2 3.12Å; E337-V339 VanDerWaalsContact C-N 3.26Å; E337-V339 PolarHBondContact O-N 2.75Å
338	E	44.8	Very low	59.9	Low	77 Å²	77	43.7 Å²	43.7	36%	0.36	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	14	-172.4	-85.2	-168.8	-133.9	0	0	116.1	K92 A336 A340	K92-E338 WeakPolarHBondContact CD-OE2 3.43Å; K92-E338 WeakPolarHBondContact CE-O 3.48Å; K92-E338 WeakPolarHBondContact CE-OE2 3.39Å; K92-E338 PolarHBondContact NZ-O 2.63Å; K92-E338 IonicContact NZ-OE2 2.62Å; K92-E338 PolarHBondContact NZ-OE2 2.67Å; A336-E338 PolarHBondContact O-N 2.85Å; E338-A340 PolarHBondContact O-N 2.85Å
339	V	41.6	Very low	61.5	Low	49 Å²	49	40.4 Å²	40.4	30%	0.297	26%	0.263	S	S	.	.			trans	-89.3	89.4	176.6	-166.7	0	0	0	0	110.6	K313 E337 T341	K313-V339 HydrophobicContact CD-CB 4.45Å; K313-V339 HydrophobicContact CD-CG1 4.11Å; K313-V339 HydrophobicContact CD-CG2 3.44Å; K313-V339 VanDerWaalsContact CD-CG2 3.44Å; E337-V339 VanDerWaalsContact C-N 3.26Å; E337-V339 PolarHBondContact O-N 2.75Å; V339-T341 WeakPolarHBondContact CG1-OG1 3.41Å; V339-T341 PolarHBondContact O-N 3.4Å; V339-T341 PolarHBondContact O-OG1 3.06Å
340	A	43.2	Very low	63.2	Low	104 Å²	104	36.2 Å²	36.2	86%	0.86	24%	0.242	S	C	*	.			trans	-63.8	75.8	165.8	0	0	0	0	0	111	E338 G342	E338-A340 PolarHBondContact O-N 2.85Å; A340-G342 PolarHBondContact O-N 3.29Å
341	T	58.2	Low	64.8	Low	37 Å²	37	35.4 Å²	35.4	23%	0.227	23%	0.231	C	C	.	.			trans	-74	118.7	173	-56.3	0	0	0	0	107.5	V339 A343 V345 V346	V339-T341 WeakPolarHBondContact CG1-OG1 3.41Å; V339-T341 PolarHBondContact O-N 3.4Å; V339-T341 PolarHBondContact O-OG1 3.06Å; T341-A343 PolarHBondContact O-N 3.17Å; T341-V345 HydrophobicContact CG2-CB 3.84Å; T341-V345 HydrophobicContact CG2-CG1 3.7Å; T341-V346 HydrophobicContact CG2-CG2 3.69Å
342	G	62.2	Low	66.4	Low	43 Å²	43	33 Å²	33	44%	0.443	22%	0.217	S	C	.	.			trans	-55.5	139.3	-179.1	0	0	0	0	0	111.6	A340 E344 V345 V346	A340-G342 PolarHBondContact O-N 3.29Å; G342-E344 PolarHBondContact O-N 2.93Å; G342-V345 WeakPolarHBondContact O-CA 3.5Å; G342-V345 WeakPolarHBondContact O-CB 3.44Å; G342-V345 PolarHBondContact O-N 2.81Å; G342-V346 PolarHBondContact O-N 3.21Å
343	A	69	Low	68	Low	33 Å²	33	32.2 Å²	32.2	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-44.5	-43.4	-176.1	0	0	0	0	0	113.7	T341 V345 V346 D347 I403 F567	T341-A343 PolarHBondContact O-N 3.17Å; A343-V345 PolarHBondContact O-N 3.36Å; A343-V346 WeakPolarHBondContact O-CB 3.49Å; A343-V346 PolarHBondContact O-N 2.84Å; A343-D347 PolarHBondContact O-N 2.95Å; A343-I403 HydrophobicContact CB-CG2 3.55Å; A343-F567 HydrophobicContact CB-CD2 4.39Å; A343-F567 HydrophobicContact CB-CE2 3.66Å; A343-F567 HydrophobicContact CB-CZ 3.79Å
344	E	73.4	Confident	69.9	Low	49 Å²	49	32.2 Å²	32.2	23%	0.229	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-28.8	-178.1	-56.5	-175.2	88.6	0	0	113.3	G342 L348 K442 F567	G342-E344 PolarHBondContact O-N 2.93Å; E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 PolarHBondContact O-N 3.43Å; E344-L348 VanDerWaalsContact O-N 3.08Å; E344-K442 HydrophobicContact CB-CD 4.43Å; E344-K442 IonicContact OE1-NZ 3.5Å; E344-K442 PolarHBondContact OE1-NZ 2.73Å; E344-K442 WeakPolarHBondContact OE2-CD 3.31Å; E344-K442 WeakPolarHBondContact OE2-CE 3.37Å; E344-K442 IonicContact OE2-NZ 3.51Å; E344-K442 PolarHBondContact OE2-NZ 3.5Å; E344-F567 HydrophobicContact CG-CB 3.96Å; E344-F567 HydrophobicContact CG-CD1 3.41Å; E344-F567 VanDerWaalsContact CG-CD1 3.41Å; E344-F567 HydrophobicContact CG-CD2 4.4Å; E344-F567 HydrophobicContact CG-CE1 3.9Å; E344-F567 HydrophobicContact CG-CG 3.69Å
345	V	80.8	Confident	71.8	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-36.3	172.9	178.8	0	0	0	0	110.1	T341 G342 A343 L348 L349 I440 F458	T341-V345 HydrophobicContact CG2-CB 3.84Å; T341-V345 HydrophobicContact CG2-CG1 3.7Å; G342-V345 WeakPolarHBondContact O-CA 3.5Å; G342-V345 WeakPolarHBondContact O-CB 3.44Å; G342-V345 PolarHBondContact O-N 2.81Å; A343-V345 PolarHBondContact O-N 3.36Å; V345-L348 PolarHBondContact O-N 2.76Å; V345-L349 HydrophobicContact CG1-CD1 4.15Å; V345-L349 HydrophobicContact CG1-CG 4.48Å; V345-L349 VanDerWaalsContact O-CG 3.25Å; V345-L349 WeakPolarHBondContact O-CG 3.32Å; V345-L349 PolarHBondContact O-N 3.29Å; V345-I440 HydrophobicContact CG1-CB 3.83Å; V345-I440 HydrophobicContact CG1-CD1 4.43Å; V345-I440 HydrophobicContact CG1-CG2 3.89Å; V345-I440 HydrophobicContact CG2-CB 4.45Å; V345-I440 HydrophobicContact CG2-CG2 3.9Å; V345-F458 HydrophobicContact CG2-CD1 3.93Å; V345-F458 HydrophobicContact CG2-CE1 3.86Å
346	V	80.4	Confident	74	Confident	11 Å²	11	31.6 Å²	31.6	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-46.2	174	-172.7	0	0	0	0	110.8	T341 G342 A343 L348 L349 V350 I403 L429 I433	T341-V346 HydrophobicContact CG2-CG2 3.69Å; G342-V346 PolarHBondContact O-N 3.21Å; A343-V346 WeakPolarHBondContact O-CB 3.49Å; A343-V346 PolarHBondContact O-N 2.84Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 3.23Å; V346-L349 PolarHBondContact O-N 3.19Å; V346-V350 WeakPolarHBondContact O-CG2 3.24Å; V346-V350 PolarHBondContact O-N 3.13Å; V346-I403 HydrophobicContact CB-CD1 3.84Å; V346-I403 HydrophobicContact CG1-CD1 3.59Å; V346-L429 HydrophobicContact CG1-CD1 3.78Å; V346-I433 HydrophobicContact CG1-CD1 3.8Å; V346-I433 HydrophobicContact CG1-CG1 3.92Å; V346-I433 HydrophobicContact CG2-CD1 4.1Å; V346-I433 HydrophobicContact CG2-CG1 4.21Å
347	D	82.7	Confident	76.3	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-44.6	176.1	-153.8	18.9	0	0	0	110.9	A343 V350 A351 I403 F567 L568	A343-D347 PolarHBondContact O-N 2.95Å; D347-V350 PolarHBondContact O-N 3.08Å; D347-A351 WeakPolarHBondContact O-CB 3.45Å; D347-A351 PolarHBondContact O-N 3.44Å; D347-I403 HydrophobicContact CB-CD1 4.4Å; D347-I403 HydrophobicContact CB-CG1 3.74Å; D347-F567 HydrophobicContact CB-CB 4.45Å; D347-F567 WeakPolarHBondContact OD2-CB 3.31Å; D347-F567 PolarHBondContact OD2-N 3.13Å; D347-L568 PolarHBondContact OD2-N 3.39Å
348	L	87.4	Confident	78.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-45.2	177.1	-178	60.4	0	0	0	113.3	E344 V345 V346 A351 M352 F458 L568 F607 V609	E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 PolarHBondContact O-N 3.43Å; E344-L348 VanDerWaalsContact O-N 3.08Å; V345-L348 PolarHBondContact O-N 2.76Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 3.23Å; L348-A351 PolarHBondContact O-N 2.95Å; L348-M352 HydrophobicContact CD1-CE 3.81Å; L348-M352 HydrophobicContact CD2-CE 4.23Å; L348-M352 HydrophobicContact CG-CE 3.91Å; L348-M352 WeakPolarHBondContact O-CG 3.49Å; L348-M352 PolarHBondContact O-N 2.87Å; L348-F458 HydrophobicContact CD2-CD2 4.04Å; L348-F458 HydrophobicContact CD2-CE1 4.39Å; L348-F458 HydrophobicContact CD2-CE2 3.72Å; L348-F458 HydrophobicContact CD2-CZ 3.92Å; L348-L568 HydrophobicContact CB-CD1 4.13Å; L348-L568 HydrophobicContact CD1-CD1 3.97Å; L348-F607 HydrophobicContact CD1-CE1 4.42Å; L348-F607 HydrophobicContact CD2-CD1 4.05Å; L348-F607 HydrophobicContact CD2-CE1 3.96Å; L348-V609 HydrophobicContact CD1-CG1 4.39Å; L348-V609 HydrophobicContact CD1-CG2 3.62Å; L348-V609 HydrophobicContact CD2-CG2 4.04Å; L348-V609 HydrophobicContact CG-CG2 4.49Å
349	L	88.8	Confident	81	Confident	1 Å²	1	26 Å²	26	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.6	-71.7	169.3	0	0	0	111.3	V345 V346 M352 C353 I432 N436 I440 L496	V345-L349 HydrophobicContact CG1-CD1 4.15Å; V345-L349 HydrophobicContact CG1-CG 4.48Å; V345-L349 VanDerWaalsContact O-CG 3.25Å; V345-L349 WeakPolarHBondContact O-CG 3.32Å; V345-L349 PolarHBondContact O-N 3.29Å; V346-L349 PolarHBondContact O-N 3.19Å; L349-M352 PolarHBondContact O-N 2.9Å; L349-C353 PolarHBondContact O-N 3.28Å; L349-C353 PolarHBondContact O-SG 2.97Å; L349-I432 HydrophobicContact CB-CG2 3.71Å; L349-N436 HydrophobicContact CD1-CB 3.72Å; L349-N436 HydrophobicContact CD2-CB 3.96Å; L349-I440 HydrophobicContact CD2-CD1 4.42Å; L349-L496 HydrophobicContact CD2-CD1 4.01Å
350	V	89.4	Confident	83.5	Confident	16 Å²	16	29.8 Å²	29.8	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-42.7	175	172.2	0	0	0	0	111.1	V346 D347 M352 C353 R354 L397 V400 L429 I432	V346-V350 WeakPolarHBondContact O-CG2 3.24Å; V346-V350 PolarHBondContact O-N 3.13Å; D347-V350 PolarHBondContact O-N 3.08Å; V350-M352 PolarHBondContact O-N 3.08Å; V350-C353 PolarHBondContact O-N 3.49Å; V350-R354 WeakPolarHBondContact O-CB 3.31Å; V350-R354 PolarHBondContact O-N 2.95Å; V350-L397 HydrophobicContact CG1-CD1 4.15Å; V350-V400 HydrophobicContact CG1-CG1 4.5Å; V350-V400 HydrophobicContact CG2-CG1 4.41Å; V350-L429 HydrophobicContact CG2-CD1 3.88Å; V350-I432 HydrophobicContact CG2-CD1 4.37Å; V350-I432 HydrophobicContact CG2-CG2 4.25Å
351	A	91.3	Very high	85.9	Confident	16 Å²	16	27 Å²	27	13%	0.132	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-39.4	176.5	0	0	0	0	0	112.8	D347 L348 R354 A355 L568 L573	D347-A351 WeakPolarHBondContact O-CB 3.45Å; D347-A351 PolarHBondContact O-N 3.44Å; L348-A351 PolarHBondContact O-N 2.95Å; A351-R354 WeakPolarHBondContact O-CB 3.4Å; A351-R354 PolarHBondContact O-N 3.1Å; A351-A355 PolarHBondContact O-N 3.32Å; A351-L568 HydrophobicContact CB-CD1 4.18Å; A351-L573 HydrophobicContact CB-CD1 3.89Å
352	M	92.6	Very high	87.6	Confident	1 Å²	1	28 Å²	28	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-43	175	-73	-178.7	-179.3	0	0	113.2	L348 L349 V350 R354 A355 A356 I489 W492 L496 F607	L348-M352 HydrophobicContact CD1-CE 3.81Å; L348-M352 HydrophobicContact CD2-CE 4.23Å; L348-M352 HydrophobicContact CG-CE 3.91Å; L348-M352 WeakPolarHBondContact O-CG 3.49Å; L348-M352 PolarHBondContact O-N 2.87Å; L349-M352 PolarHBondContact O-N 2.9Å; V350-M352 PolarHBondContact O-N 3.08Å; M352-R354 VanDerWaalsContact C-N 3.25Å; M352-R354 PolarHBondContact O-N 3.46Å; M352-A355 PolarHBondContact O-N 3.23Å; M352-A356 VanDerWaalsContact O-CB 3.31Å; M352-A356 WeakPolarHBondContact O-CB 3.41Å; M352-A356 PolarHBondContact O-N 3.13Å; M352-I489 HydrophobicContact CG-CG1 4.29Å; M352-W492 HydrophobicContact CE-CB 3.64Å; M352-W492 HydrophobicContact CE-CG 4.3Å; M352-W492 HydrophobicContact CG-CB 4.21Å; M352-W492 HydrophobicContact SD-CB 3.53Å; M352-W492 VanDerWaalsContact SD-CB 3.53Å; M352-L496 HydrophobicContact CE-CD1 3.81Å; M352-L496 HydrophobicContact SD-CD1 3.31Å; M352-L496 WeakPolarHBondContact SD-CD1 3.15Å; M352-L496 HydrophobicContact SD-CG 4.19Å; M352-F607 HydrophobicContact CE-CD1 4.31Å; M352-F607 HydrophobicContact CE-CE1 3.21Å; M352-F607 HydrophobicContact CE-CE2 4.3Å; M352-F607 HydrophobicContact CE-CZ 3.19Å
353	C	93.6	Very high	89.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-44.1	173.1	-68.7	0	0	0	0	110.3	L349 V350 A356 L357 F366 L397 I432 H493	L349-C353 PolarHBondContact O-N 3.28Å; L349-C353 PolarHBondContact O-SG 2.97Å; V350-C353 PolarHBondContact O-N 3.49Å; C353-A356 PolarHBondContact O-N 2.84Å; C353-L357 WeakPolarHBondContact O-CB 3.48Å; C353-L357 PolarHBondContact O-N 2.71Å; C353-F366 HydrophobicContact CB-CE2 4.42Å; C353-F366 HydrophobicContact CB-CZ 4.46Å; C353-F366 WeakPolarHBondContact O-CE2 3.35Å; C353-L397 HydrophobicContact CB-CD2 4.34Å; C353-I432 HydrophobicContact CB-CD1 4.18Å; C353-H493 PolarHBondContact SG-ND1 3.5Å
354	R	93.6	Very high	90.2	Very high	34 Å²	34	30.9 Å²	30.9	13%	0.128	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-52.4	176.8	178.7	171.3	-68.6	-72.5	-4.4	112.1	V350 A351 M352 A356 L357 E358 L397 D398	V350-R354 WeakPolarHBondContact O-CB 3.31Å; V350-R354 PolarHBondContact O-N 2.95Å; A351-R354 WeakPolarHBondContact O-CB 3.4Å; A351-R354 PolarHBondContact O-N 3.1Å; M352-R354 VanDerWaalsContact C-N 3.25Å; M352-R354 PolarHBondContact O-N 3.46Å; R354-A356 VanDerWaalsContact C-N 3.33Å; R354-A356 PolarHBondContact O-N 3.32Å; R354-L357 PolarHBondContact O-N 3.5Å; R354-L357 VanDerWaalsContact O-N 3.09Å; R354-E358 WeakPolarHBondContact CD-OE1 3.38Å; R354-E358 HydrophobicContact CG-CG 4.35Å; R354-E358 WeakPolarHBondContact CG-OE1 3.14Å; R354-E358 IonicContact NH1-OE1 3.19Å; R354-E358 PolarHBondContact NH1-OE1 3.05Å; R354-E358 WeakPolarHBondContact O-CB 3.09Å; R354-E358 WeakPolarHBondContact O-CG 3.08Å; R354-E358 PolarHBondContact O-N 3.36Å; R354-L397 HydrophobicContact CB-CD2 4.02Å; R354-L397 PolarHBondContact NH2-O 2.71Å; R354-D398 IonicContact CZ-OD1 3.22Å; R354-D398 IonicContact NH1-OD1 2.69Å; R354-D398 PolarHBondContact NH1-OD1 2.92Å; R354-D398 IonicContact NH2-OD1 2.82Å; R354-D398 PolarHBondContact NH2-OD1 3.42Å
355	A	93.8	Very high	91.1	Very high	17 Å²	17	28.6 Å²	28.6	14%	0.14	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-40	177.2	0	0	0	0	0	113	A351 M352 L357 S359 I489 E490	A351-A355 PolarHBondContact O-N 3.32Å; M352-A355 PolarHBondContact O-N 3.23Å; A355-L357 VanDerWaalsContact C-N 3.27Å; A355-L357 PolarHBondContact O-N 3.11Å; A355-S359 WeakPolarHBondContact O-CB 3.23Å; A355-S359 PolarHBondContact O-N 2.82Å; A355-S359 VanDerWaalsContact O-N 3.13Å; A355-I489 HydrophobicContact CB-CB 4.38Å; A355-I489 HydrophobicContact CB-CD1 4.32Å; A355-I489 HydrophobicContact CB-CG1 3.89Å; A355-I489 HydrophobicContact CB-CG2 3.82Å; A355-E490 HydrophobicContact CB-CB 4.31Å; A355-E490 WeakPolarHBondContact O-CB 3.38Å
356	A	95.3	Very high	91.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-32	175.6	0	0	0	0	0	113.1	M352 C353 R354 K362 F366 E490 H493	M352-A356 VanDerWaalsContact O-CB 3.31Å; M352-A356 WeakPolarHBondContact O-CB 3.41Å; M352-A356 PolarHBondContact O-N 3.13Å; C353-A356 PolarHBondContact O-N 2.84Å; R354-A356 VanDerWaalsContact C-N 3.33Å; R354-A356 PolarHBondContact O-N 3.32Å; A356-K362 VanDerWaalsContact O-CB 3.25Å; A356-K362 WeakPolarHBondContact O-CB 3.36Å; A356-F366 HydrophobicContact CB-CD2 3.67Å; A356-F366 HydrophobicContact CB-CE2 4.15Å; A356-E490 WeakPolarHBondContact CB-O 3.43Å; A356-H493 HydrophobicContact CB-CB 3.67Å
357	L	95.3	Very high	92.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-87.4	-33.5	-177.2	-166.3	58	0	0	0	113.2	C353 R354 A355 S359 K362 F366 Y390 L393 Q394 L397	C353-L357 WeakPolarHBondContact O-CB 3.48Å; C353-L357 PolarHBondContact O-N 2.71Å; R354-L357 PolarHBondContact O-N 3.5Å; R354-L357 VanDerWaalsContact O-N 3.09Å; A355-L357 VanDerWaalsContact C-N 3.27Å; A355-L357 PolarHBondContact O-N 3.11Å; L357-S359 VanDerWaalsContact C-N 3.28Å; L357-K362 WeakPolarHBondContact O-CD 3.4Å; L357-F366 HydrophobicContact CB-CD2 3.99Å; L357-F366 HydrophobicContact CB-CE2 3.87Å; L357-F366 HydrophobicContact CD1-CD2 4.08Å; L357-F366 HydrophobicContact CD1-CE2 4.21Å; L357-F366 HydrophobicContact CG-CE2 4.47Å; L357-Y390 HydrophobicContact CD1-CD1 3.58Å; L357-Y390 HydrophobicContact CD1-CG 4.22Å; L357-L393 HydrophobicContact CD1-CD2 4.04Å; L357-L393 HydrophobicContact CD1-CG 4.47Å; L357-L393 HydrophobicContact CD2-CB 4.34Å; L357-L393 HydrophobicContact CD2-CD2 4.2Å; L357-L393 HydrophobicContact CD2-CG 3.87Å; L357-Q394 HydrophobicContact CD2-CB 3.88Å; L357-Q394 HydrophobicContact CG-CB 4.4Å; L357-Q394 VanDerWaalsContact CG-OE1 3.3Å; L357-L397 HydrophobicContact CD2-CD2 3.97Å
358	E	94.1	Very high	92.3	Very high	104 Å²	104	32.1 Å²	32.1	49%	0.486	18%	0.177	S	C	.	.	H	α-helix	trans	-73.9	-19.5	173.2	-69.3	171.3	-174.3	0	0	111.6	R354	R354-E358 WeakPolarHBondContact CD-OE1 3.38Å; R354-E358 HydrophobicContact CG-CG 4.35Å; R354-E358 WeakPolarHBondContact CG-OE1 3.14Å; R354-E358 IonicContact NH1-OE1 3.19Å; R354-E358 PolarHBondContact NH1-OE1 3.05Å; R354-E358 WeakPolarHBondContact O-CB 3.09Å; R354-E358 WeakPolarHBondContact O-CG 3.08Å; R354-E358 PolarHBondContact O-N 3.36Å
359	S	94.2	Very high	92.4	Very high	11 Å²	11	32.2 Å²	32.2	8%	0.077	18%	0.177	C	C	.	.	S	Bend	trans	-65.1	138.9	178.6	-176.5	0	0	0	0	113.9	A355 L357 R361 K362	A355-S359 WeakPolarHBondContact O-CB 3.23Å; A355-S359 PolarHBondContact O-N 2.82Å; A355-S359 VanDerWaalsContact O-N 3.13Å; L357-S359 VanDerWaalsContact C-N 3.28Å; S359-R361 PolarHBondContact O-N 3.24Å; S359-R361 VanDerWaalsContact O-N 3.1Å; S359-R361 PolarHBondContact OG-N 3.11Å; S359-R361 VanDerWaalsContact OG-N 3.15Å; S359-K362 VanDerWaalsContact O-CB 3.29Å; S359-K362 WeakPolarHBondContact O-CB 3.24Å; S359-K362 WeakPolarHBondContact O-CG 3.16Å; S359-K362 PolarHBondContact O-N 3.34Å
360	P	93.8	Very high	92.5	Very high	129 Å²	129	32.2 Å²	32.2	84%	0.838	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.4	169.8	27.9	-35.7	0	0	0	112.8
361	R	94	Very high	92.3	Very high	45 Å²	45	31.7 Å²	31.7	17%	0.17	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.1	177	-63.9	172.4	67.8	-135	2.2	113.2	S359 S363 I364 I365 N491 L508	S359-R361 PolarHBondContact O-N 3.24Å; S359-R361 VanDerWaalsContact O-N 3.1Å; S359-R361 PolarHBondContact OG-N 3.11Å; S359-R361 VanDerWaalsContact OG-N 3.15Å; R361-S363 PolarHBondContact O-N 2.81Å; R361-I364 PolarHBondContact O-N 2.89Å; R361-I365 HydrophobicContact CB-CD1 4.03Å; R361-I365 HydrophobicContact CB-CG1 4.31Å; R361-I365 HydrophobicContact CB-CG2 4.24Å; R361-I365 PolarHBondContact O-N 3.34Å; R361-I365 VanDerWaalsContact O-N 3.09Å; R361-N491 PolarHBondContact NH1-OD1 3.06Å; R361-L508 PolarHBondContact NH2-O 3.01Å; R361-L508 VanDerWaalsContact NH2-O 3.15Å
362	K	95.1	Very high	92	Very high	57 Å²	57	31.3 Å²	31.3	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-47.9	-35.5	-174.9	66.9	-167.4	-171.7	178	0	114.6	A356 L357 S359 I364 F366 Y390 E391	A356-K362 VanDerWaalsContact O-CB 3.25Å; A356-K362 WeakPolarHBondContact O-CB 3.36Å; L357-K362 WeakPolarHBondContact O-CD 3.4Å; S359-K362 VanDerWaalsContact O-CB 3.29Å; S359-K362 WeakPolarHBondContact O-CB 3.24Å; S359-K362 WeakPolarHBondContact O-CG 3.16Å; S359-K362 PolarHBondContact O-N 3.34Å; K362-I364 PolarHBondContact O-N 3.42Å; K362-F366 WeakPolarHBondContact O-CB 3.23Å; K362-F366 PolarHBondContact O-N 2.9Å; K362-Y390 HydrophobicContact CD-CD1 4.39Å; K362-Y390 HydrophobicContact CD-CG 4.19Å; K362-Y390 HydrophobicContact CG-CD1 4.37Å; K362-Y390 HydrophobicContact CG-CG 4.42Å; K362-E391 IonicContact NZ-OE1 3.82Å; K362-E391 PolarHBondContact NZ-OE1 3.33Å
363	S	93.3	Very high	91.4	Very high	75 Å²	75	31.9 Å²	31.9	52%	0.524	17%	0.174	S	C	.	.	H	α-helix	trans	-63.7	-18.6	176.9	56.8	0	0	0	0	115.3	R361 Y390	R361-S363 PolarHBondContact O-N 2.81Å; S363-Y390 WeakPolarHBondContact CA-OH 3.44Å
364	I	91.2	Very high	91	Very high	62 Å²	62	33.8 Å²	33.8	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-109.5	-39.1	-178.6	-52.1	174.1	0	0	0	111	R361 K362 K507 L508	R361-I364 PolarHBondContact O-N 2.89Å; K362-I364 PolarHBondContact O-N 3.42Å; I364-K507 HydrophobicContact CG2-CB 3.97Å; I364-L508 HydrophobicContact CG2-CD2 3.94Å
365	I	92.1	Very high	90.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-103.4	-17	-169.8	71.5	179.5	0	0	0	114.8	R361 E367 E490 L508	R361-I365 HydrophobicContact CB-CD1 4.03Å; R361-I365 HydrophobicContact CB-CG1 4.31Å; R361-I365 HydrophobicContact CB-CG2 4.24Å; R361-I365 PolarHBondContact O-N 3.34Å; R361-I365 VanDerWaalsContact O-N 3.09Å; I365-E367 PolarHBondContact O-N 3.23Å; I365-E490 HydrophobicContact CD1-CB 3.71Å; I365-E490 HydrophobicContact CD1-CG 3.34Å; I365-L508 HydrophobicContact CG2-CD2 4.26Å
366	F	93.8	Very high	90	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	23%	0.225	C	C	.	.			trans	-78.5	71.1	172.1	-156.1	-68.4	0	0	0	109.3	C353 A356 L357 K362 Y369 P370 Y390 L393 H493	C353-F366 HydrophobicContact CB-CE2 4.42Å; C353-F366 HydrophobicContact CB-CZ 4.46Å; C353-F366 WeakPolarHBondContact O-CE2 3.35Å; A356-F366 HydrophobicContact CB-CD2 3.67Å; A356-F366 HydrophobicContact CB-CE2 4.15Å; L357-F366 HydrophobicContact CB-CD2 3.99Å; L357-F366 HydrophobicContact CB-CE2 3.87Å; L357-F366 HydrophobicContact CD1-CD2 4.08Å; L357-F366 HydrophobicContact CD1-CE2 4.21Å; L357-F366 HydrophobicContact CG-CE2 4.47Å; K362-F366 WeakPolarHBondContact O-CB 3.23Å; K362-F366 PolarHBondContact O-N 2.9Å; F366-Y369 HydrophobicContact CD1-CD2 4.22Å; F366-P370 HydrophobicContact CE1-CG 4.08Å; F366-Y390 HydrophobicContact CB-CE1 4.3Å; F366-L393 HydrophobicContact CE1-CD2 4.01Å; F366-L393 HydrophobicContact CE2-CD2 4.47Å; F366-L393 HydrophobicContact CZ-CD2 3.94Å; F366-H493 AromaticContact CD1-NE2 3.69Å; F366-H493 AromaticContact CE1-CE1 3.78Å; F366-H493 AromaticContact CE1-NE2 3.53Å; F366-H493 AromaticContact CZ-CE1 3.81Å; F366-H493 AromaticContact CZ-NE2 3.92Å
367	E	87.9	Confident	89.5	Confident	75 Å²	75	43.7 Å²	43.7	35%	0.35	24%	0.24	S	C	.	.			trans	-135.1	126.2	177.1	-73.6	-66.7	-171.1	0	0	111.6	I365 Y369 K388 S494 N498	I365-E367 PolarHBondContact O-N 3.23Å; E367-Y369 PolarHBondContact OE2-N 3.14Å; E367-Y369 VanDerWaalsContact OE2-N 3.15Å; E367-K388 IonicContact OE1-NZ 3.92Å; E367-K388 PolarHBondContact OE1-NZ 3.39Å; E367-K388 IonicContact OE2-NZ 2.73Å; E367-S494 VanDerWaalsContact O-CA 3.29Å; E367-S494 WeakPolarHBondContact O-CA 3.33Å; E367-S494 WeakPolarHBondContact O-CB 3.31Å; E367-S494 PolarHBondContact O-OG 3.29Å; E367-N498 PolarHBondContact O-ND2 2.99Å
368	P	87.8	Confident	88.6	Confident	22 Å²	22	46.4 Å²	46.4	14%	0.143	26%	0.258	C	S	.	.	S	Bend	cis	-68.1	144.8	1.6	28.5	-36.1	0	0	0	113.3	W431 H493 R497	P368-W431 HydrophobicContact CB-CZ2 4.26Å; P368-W431 HydrophobicContact CG-CH2 4.24Å; P368-W431 HydrophobicContact CG-CZ2 4.05Å; P368-W431 WeakPolarHBondContact O-CH2 3.34Å; P368-H493 PolarHBondContact O-NE2 3.25Å; P368-R497 HydrophobicContact CG-CB 4.42Å
369	Y	90.6	Very high	87.9	Confident	3 Å²	3	50.2 Å²	50.2	1%	0.012	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-76.2	150.6	162.9	-173.1	-89.3	0	0	0	110.7	F366 E367 F383 P385 K388 N389 Y390 L393	F366-Y369 HydrophobicContact CD1-CD2 4.22Å; E367-Y369 PolarHBondContact OE2-N 3.14Å; E367-Y369 VanDerWaalsContact OE2-N 3.15Å; Y369-F383 HydrophobicContact CE1-CB 4.01Å; Y369-P385 HydrophobicContact CD1-CB 4.41Å; Y369-P385 HydrophobicContact CD1-CG 4.32Å; Y369-K388 HydrophobicContact CD1-CG 4.03Å; Y369-K388 HydrophobicContact CD2-CB 4.01Å; Y369-K388 HydrophobicContact CD2-CD 3.71Å; Y369-K388 HydrophobicContact CD2-CG 3.79Å; Y369-K388 HydrophobicContact CE1-CB 4.35Å; Y369-K388 HydrophobicContact CE1-CG 4.25Å; Y369-K388 HydrophobicContact CE2-CB 3.72Å; Y369-K388 HydrophobicContact CE2-CD 4.3Å; Y369-K388 HydrophobicContact CE2-CG 4.01Å; Y369-K388 HydrophobicContact CG-CB 4.43Å; Y369-K388 HydrophobicContact CG-CD 3.88Å; Y369-K388 HydrophobicContact CG-CG 3.8Å; Y369-N389 PolarHBondContact OH-N 3.18Å; Y369-N389 PolarHBondContact OH-O 3.21Å; Y369-N389 VanDerWaalsContact OH-O 3.04Å; Y369-Y390 HydrophobicContact CD2-CD1 4.46Å; Y369-Y390 AromaticContact CD2-CE1 3.92Å; Y369-Y390 HydrophobicContact CD2-CE1 3.92Å; Y369-Y390 HydrophobicContact CE2-CD1 4.03Å; Y369-Y390 AromaticContact CE2-CE1 3.9Å; Y369-Y390 HydrophobicContact CE2-CE1 3.9Å; Y369-L393 HydrophobicContact CD2-CD2 4.31Å; Y369-L393 HydrophobicContact CE2-CD2 3.71Å
370	P	89.4	Confident	87.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.2	150.1	-173	-18.8	35.1	0	0	0	113.5	F366 V372 F383 P385 L393 L428 W431	F366-P370 HydrophobicContact CE1-CG 4.08Å; P370-V372 HydrophobicContact CB-CG2 4.11Å; P370-F383 HydrophobicContact CB-CB 3.96Å; P370-F383 HydrophobicContact CB-CD2 4.35Å; P370-F383 HydrophobicContact CB-CG 4.41Å; P370-F383 CarbonylContact O-C 3.56Å; P370-P385 WeakPolarHBondContact O-CD 3.39Å; P370-L393 HydrophobicContact CG-CD1 3.85Å; P370-L393 HydrophobicContact CG-CD2 3.96Å; P370-L428 HydrophobicContact CB-CD1 4.2Å; P370-L428 HydrophobicContact CG-CD1 4Å; P370-W431 VanDerWaalsContact CA-CE2 3.5Å; P370-W431 HydrophobicContact CB-CD2 3.73Å; P370-W431 HydrophobicContact CB-CE3 3.85Å; P370-W431 HydrophobicContact CB-CG 4.23Å; P370-W431 HydrophobicContact CB-CH2 4.32Å; P370-W431 HydrophobicContact CB-CZ2 4.2Å; P370-W431 HydrophobicContact CB-CZ3 4.16Å; P370-W431 HydrophobicContact CG-CD2 4.28Å; P370-W431 HydrophobicContact CG-CE3 3.91Å; P370-W431 HydrophobicContact CG-CH2 4.04Å; P370-W431 HydrophobicContact CG-CZ2 4.38Å; P370-W431 HydrophobicContact CG-CZ3 3.79Å
371	S	86.1	Confident	87	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.042	26%	0.255	C	S	.	.			trans	-120.8	95.3	171.4	-62.5	0	0	0	0	107.8	V323 F383 P385	V323-S371 WeakPolarHBondContact CG1-O 3.33Å; S371-F383 WeakPolarHBondContact CA-O 3.02Å; S371-P385 WeakPolarHBondContact OG-CD 3.32Å; S371-P385 VanDerWaalsContact OG-CG 3.24Å; S371-P385 WeakPolarHBondContact OG-CG 3.42Å
372	V	84.5	Confident	86.7	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.3	-172.6	179.1	0	0	0	0	108.7	P370 L381 A382 F383 P427 W431	P370-V372 HydrophobicContact CB-CG2 4.11Å; V372-L381 CarbonylContact O-C 3.59Å; V372-L381 VanDerWaalsContact O-CA 3.29Å; V372-L381 WeakPolarHBondContact O-CA 3.22Å; V372-A382 PolarHBondContact O-N 2.86Å; V372-F383 HydrophobicContact CB-CB 4.13Å; V372-F383 HydrophobicContact CB-CD2 3.81Å; V372-F383 HydrophobicContact CB-CG 4.42Å; V372-F383 HydrophobicContact CG1-CD2 4.34Å; V372-F383 HydrophobicContact CG2-CB 4.44Å; V372-F383 HydrophobicContact CG2-CD2 3.91Å; V372-F383 PolarHBondContact N-O 3.01Å; V372-F383 VanDerWaalsContact N-O 3.1Å; V372-F383 PolarHBondContact O-N 3.29Å; V372-F383 VanDerWaalsContact O-N 3.11Å; V372-P427 HydrophobicContact CG1-CB 3.51Å; V372-W431 HydrophobicContact CG2-CB 3.99Å; V372-W431 HydrophobicContact CG2-CG 4.23Å
373	V	81.1	Confident	86.6	Confident	13 Å²	13	44.1 Å²	44.1	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.3	175.8	173.2	0	0	0	0	110	V323 F324 P375 T380 L381	V323-V373 HydrophobicContact CB-CG2 4.31Å; V323-V373 HydrophobicContact CG1-CG2 3.85Å; F324-V373 HydrophobicContact CB-CG2 4.1Å; F324-V373 HydrophobicContact CD2-CG1 4.23Å; V373-P375 WeakPolarHBondContact O-CD 3.43Å; V373-T380 WeakPolarHBondContact CA-O 3.39Å; V373-L381 HydrophobicContact CB-CD2 4.47Å; V373-L381 HydrophobicContact CG2-CD2 3.73Å
374	D	83.4	Confident	86.3	Confident	42 Å²	42	42 Å²	42	23%	0.225	23%	0.228	C	C	.	.			trans	-71.5	123.5	172.4	-160.3	-53.9	0	0	0	110.5	N376 D377 T380 A382	D374-N376 PolarHBondContact O-N 3.44Å; D374-N376 VanDerWaalsContact O-N 3.15Å; D374-N376 WeakPolarHBondContact OD1-CB 3.38Å; D374-N376 PolarHBondContact OD1-N 2.93Å; D374-N376 PolarHBondContact OD1-ND2 3.44Å; D374-D377 HydrophobicContact CB-CB 4.33Å; D374-D377 CarbonylContact O-C 3.57Å; D374-D377 PolarHBondContact O-N 3.01Å; D374-T380 PolarHBondContact N-O 2.95Å; D374-A382 HydrophobicContact CB-CB 3.91Å
375	P	82.5	Confident	86.2	Confident	66 Å²	66	41.1 Å²	41.1	43%	0.429	23%	0.226	S	C	.	.	S	Bend	trans	-59.1	-23.6	176.1	-24.4	34	0	0	0	114.1	V373 P423 L424 P427	V373-P375 WeakPolarHBondContact O-CD 3.43Å; P375-P423 HydrophobicContact CB-CB 4.48Å; P375-P423 HydrophobicContact CG-CB 4.16Å; P375-P423 WeakPolarHBondContact CG-O 3.26Å; P375-L424 HydrophobicContact CG-CD2 4.05Å; P375-P427 HydrophobicContact CG-CG 4.31Å
376	N	84.4	Confident	85.9	Confident	130 Å²	130	50.1 Å²	50.1	70%	0.695	27%	0.265	S	S	*	.	S	Bend	trans	-96.2	-21.4	-179.2	-46.9	-78.8	0	0	0	112.5	D374	D374-N376 PolarHBondContact O-N 3.44Å; D374-N376 VanDerWaalsContact O-N 3.15Å; D374-N376 WeakPolarHBondContact OD1-CB 3.38Å; D374-N376 PolarHBondContact OD1-N 2.93Å; D374-N376 PolarHBondContact OD1-ND2 3.44Å
377	D	84.8	Confident	85.7	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.332	30%	0.3	S	S	.	.			trans	-133.2	90.1	173.4	178.2	19.8	0	0	0	111.4	D374 K379 T380	D374-D377 HydrophobicContact CB-CB 4.33Å; D374-D377 CarbonylContact O-C 3.57Å; D374-D377 PolarHBondContact O-N 3.01Å; D377-K379 PolarHBondContact O-N 3.4Å; D377-K379 WeakPolarHBondContact OD1-CB 3.25Å; D377-K379 PolarHBondContact OD1-N 3.47Å; D377-T380 VanDerWaalsContact CG-OG1 3.31Å; D377-T380 PolarHBondContact O-N 2.93Å; D377-T380 PolarHBondContact O-OG1 3.06Å; D377-T380 WeakPolarHBondContact OD2-CB 3.29Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.48Å; D377-T380 PolarHBondContact OD2-OG1 2.98Å
378	P	76.6	Confident	86	Confident	61 Å²	61	57.5 Å²	57.5	40%	0.396	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-23.1	171.3	-38.5	41.7	0	0	0	117.4	F324	F324-P378 HydrophobicContact CD2-CB 4.19Å; F324-P378 HydrophobicContact CE2-CB 3.54Å; F324-P378 HydrophobicContact CE2-CG 4.25Å; F324-P378 HydrophobicContact CZ-CB 4.02Å
379	K	79.5	Confident	86.3	Confident	183 Å²	183	60 Å²	60	80%	0.796	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.4	-176	-62	177.9	-178.9	174.5	0	113.4	D377	D377-K379 PolarHBondContact O-N 3.4Å; D377-K379 WeakPolarHBondContact OD1-CB 3.25Å; D377-K379 PolarHBondContact OD1-N 3.47Å
380	T	84.3	Confident	86.6	Confident	68 Å²	68	61.2 Å²	61.2	42%	0.417	31%	0.313	S	S	.	.	S	Bend	trans	-126	153	-176.8	57.8	0	0	0	0	113.2	V373 D374 D377	V373-T380 WeakPolarHBondContact CA-O 3.39Å; D374-T380 PolarHBondContact N-O 2.95Å; D377-T380 VanDerWaalsContact CG-OG1 3.31Å; D377-T380 PolarHBondContact O-N 2.93Å; D377-T380 PolarHBondContact O-OG1 3.06Å; D377-T380 WeakPolarHBondContact OD2-CB 3.29Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.48Å; D377-T380 PolarHBondContact OD2-OG1 2.98Å
381	L	85	Confident	86.8	Confident	22 Å²	22	67.1 Å²	67.1	12%	0.115	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.4	172.2	-69.2	-174.7	0	0	0	110	E320 V323 V372 V373 F383 N384	E320-L381 HydrophobicContact CG-CD1 3.76Å; E320-L381 HydrophobicContact CG-CD2 4.44Å; E320-L381 HydrophobicContact CG-CG 3.89Å; V323-L381 HydrophobicContact CG1-CD2 4.45Å; V372-L381 CarbonylContact O-C 3.59Å; V372-L381 VanDerWaalsContact O-CA 3.29Å; V372-L381 WeakPolarHBondContact O-CA 3.22Å; V373-L381 HydrophobicContact CB-CD2 4.47Å; V373-L381 HydrophobicContact CG2-CD2 3.73Å; L381-F383 PolarHBondContact O-N 2.85Å; L381-N384 HydrophobicContact CB-CB 3.9Å; L381-N384 HydrophobicContact CD1-CB 4.26Å
382	A	88.2	Confident	87.2	Confident	25 Å²	25	70.4 Å²	70.4	21%	0.207	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	-34.3	169.3	0	0	0	0	0	112.3	V372 D374 L424	V372-A382 PolarHBondContact O-N 2.86Å; D374-A382 HydrophobicContact CB-CB 3.91Å; A382-L424 HydrophobicContact CB-CD1 3.63Å; A382-L424 HydrophobicContact CB-CD2 3.57Å; A382-L424 HydrophobicContact CB-CG 4.27Å
383	F	91.8	Very high	87.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.2	164.8	-59.7	-48.6	0	0	0	110.1	Y369 P370 S371 V372 L381 R392 L393 A396 L424 L428	Y369-F383 HydrophobicContact CE1-CB 4.01Å; P370-F383 HydrophobicContact CB-CB 3.96Å; P370-F383 HydrophobicContact CB-CD2 4.35Å; P370-F383 HydrophobicContact CB-CG 4.41Å; P370-F383 CarbonylContact O-C 3.56Å; S371-F383 WeakPolarHBondContact CA-O 3.02Å; V372-F383 HydrophobicContact CB-CB 4.13Å; V372-F383 HydrophobicContact CB-CD2 3.81Å; V372-F383 HydrophobicContact CB-CG 4.42Å; V372-F383 HydrophobicContact CG1-CD2 4.34Å; V372-F383 HydrophobicContact CG2-CB 4.44Å; V372-F383 HydrophobicContact CG2-CD2 3.91Å; V372-F383 PolarHBondContact N-O 3.01Å; V372-F383 VanDerWaalsContact N-O 3.1Å; V372-F383 PolarHBondContact O-N 3.29Å; V372-F383 VanDerWaalsContact O-N 3.11Å; L381-F383 PolarHBondContact O-N 2.85Å; F383-R392 HydrophobicContact CE1-CB 4.29Å; F383-R392 HydrophobicContact CE1-CG 3.86Å; F383-R392 HydrophobicContact CZ-CG 4.42Å; F383-L393 HydrophobicContact CD1-CB 4.23Å; F383-L393 HydrophobicContact CD1-CD1 4.14Å; F383-L393 HydrophobicContact CD2-CD1 3.97Å; F383-L393 VanDerWaalsContact CE1-CA 3.46Å; F383-L393 HydrophobicContact CE1-CB 3.76Å; F383-L393 HydrophobicContact CE1-CD1 3.92Å; F383-L393 HydrophobicContact CE1-CG 4.46Å; F383-L393 HydrophobicContact CE2-CD1 3.74Å; F383-L393 HydrophobicContact CG-CD1 4.2Å; F383-L393 HydrophobicContact CZ-CB 4.2Å; F383-L393 HydrophobicContact CZ-CD1 3.73Å; F383-A396 HydrophobicContact CE2-CB 4.1Å; F383-A396 HydrophobicContact CZ-CB 3.7Å; F383-L424 HydrophobicContact CE1-CD1 4.12Å; F383-L424 HydrophobicContact CE2-CB 4.05Å; F383-L424 HydrophobicContact CE2-CD1 3.81Å; F383-L424 HydrophobicContact CE2-CG 4.5Å; F383-L424 HydrophobicContact CZ-CB 4.27Å; F383-L424 HydrophobicContact CZ-CD1 3.54Å; F383-L428 HydrophobicContact CD2-CD1 4.38Å; F383-L428 HydrophobicContact CE2-CB 4.33Å; F383-L428 HydrophobicContact CE2-CD1 4.3Å; F383-L428 HydrophobicContact CE2-CD2 4.33Å
384	N	87.8	Confident	88.4	Confident	31 Å²	31	71.2 Å²	71.2	17%	0.166	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-117.5	121.3	-178.4	-166.8	-40.5	0	0	0	111	L381 K386 K387 K388	L381-N384 HydrophobicContact CB-CB 3.9Å; L381-N384 HydrophobicContact CD1-CB 4.26Å; N384-K386 PolarHBondContact O-N 3.34Å; N384-K386 VanDerWaalsContact O-N 3.13Å; N384-K386 WeakPolarHBondContact OD1-CB 3.38Å; N384-K386 PolarHBondContact OD1-N 2.78Å; N384-K387 HydrophobicContact CB-CB 4.48Å; N384-K387 CarbonylContact O-C 3.59Å; N384-K387 PolarHBondContact O-N 3.06Å; N384-K388 PolarHBondContact O-N 3.5Å
385	P	87.9	Confident	88.9	Confident	43 Å²	43	75.5 Å²	75.5	28%	0.279	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.3	177.2	-26	35.3	0	0	0	114.8	Y369 P370 S371 K388	Y369-P385 HydrophobicContact CD1-CB 4.41Å; Y369-P385 HydrophobicContact CD1-CG 4.32Å; P370-P385 WeakPolarHBondContact O-CD 3.39Å; S371-P385 WeakPolarHBondContact OG-CD 3.32Å; S371-P385 VanDerWaalsContact OG-CG 3.24Å; S371-P385 WeakPolarHBondContact OG-CG 3.42Å; P385-K388 WeakPolarHBondContact O-CE 3.35Å; P385-K388 WeakPolarHBondContact O-CG 3.36Å
386	K	87.6	Confident	89.5	Confident	191 Å²	191	72.3 Å²	72.3	83%	0.83	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.7	175.8	-58.3	177.3	-178.6	172.2	0	113	N384	N384-K386 PolarHBondContact O-N 3.34Å; N384-K386 VanDerWaalsContact O-N 3.13Å; N384-K386 WeakPolarHBondContact OD1-CB 3.38Å; N384-K386 PolarHBondContact OD1-N 2.78Å
387	K	89.5	Confident	89.9	Confident	172 Å²	172	66.2 Å²	66.2	75%	0.748	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-135	72.6	-178.1	-169.8	-176.4	178.7	-177	0	109.3	N384	N384-K387 HydrophobicContact CB-CB 4.48Å; N384-K387 CarbonylContact O-C 3.59Å; N384-K387 PolarHBondContact O-N 3.06Å
388	K	93.4	Very high	90.3	Very high	60 Å²	60	67.4 Å²	67.4	26%	0.261	32%	0.324	S	S	.	.			trans	-68.2	133.6	-175.5	-55.3	-172.8	-178.8	-173.2	0	111.1	E367 Y369 N384 P385 Y390	E367-K388 IonicContact OE1-NZ 3.92Å; E367-K388 PolarHBondContact OE1-NZ 3.39Å; E367-K388 IonicContact OE2-NZ 2.73Å; Y369-K388 HydrophobicContact CD1-CG 4.03Å; Y369-K388 HydrophobicContact CD2-CB 4.01Å; Y369-K388 HydrophobicContact CD2-CD 3.71Å; Y369-K388 HydrophobicContact CD2-CG 3.79Å; Y369-K388 HydrophobicContact CE1-CB 4.35Å; Y369-K388 HydrophobicContact CE1-CG 4.25Å; Y369-K388 HydrophobicContact CE2-CB 3.72Å; Y369-K388 HydrophobicContact CE2-CD 4.3Å; Y369-K388 HydrophobicContact CE2-CG 4.01Å; Y369-K388 HydrophobicContact CG-CB 4.43Å; Y369-K388 HydrophobicContact CG-CD 3.88Å; Y369-K388 HydrophobicContact CG-CG 3.8Å; N384-K388 PolarHBondContact O-N 3.5Å; P385-K388 WeakPolarHBondContact O-CE 3.35Å; P385-K388 WeakPolarHBondContact O-CG 3.36Å; K388-Y390 HydrophobicContact CB-CE2 4.08Å; K388-Y390 HydrophobicContact CD-CE1 4.4Å; K388-Y390 WeakPolarHBondContact CD-OH 3.32Å
389	N	94.7	Very high	91	Very high	75 Å²	75	65.6 Å²	65.6	40%	0.401	31%	0.313	S	S	.	.			trans	-131	97	175.1	-178	-26.6	0	0	0	107.6	Y369 E391 R392 L393	Y369-N389 PolarHBondContact OH-N 3.18Å; Y369-N389 PolarHBondContact OH-O 3.21Å; Y369-N389 VanDerWaalsContact OH-O 3.04Å; N389-E391 VanDerWaalsContact C-N 3.34Å; N389-E391 PolarHBondContact OD1-N 3.2Å; N389-R392 HydrophobicContact CB-CB 4.27Å; N389-R392 VanDerWaalsContact CG-CB 3.48Å; N389-R392 VanDerWaalsContact OD1-CB 3.28Å; N389-R392 WeakPolarHBondContact OD1-CB 3.35Å; N389-R392 PolarHBondContact OD1-N 3.22Å; N389-L393 WeakPolarHBondContact O-CB 3.41Å; N389-L393 PolarHBondContact O-N 3.41Å
390	Y	95.3	Very high	91.3	Very high	29 Å²	29	57.9 Å²	57.9	11%	0.114	28%	0.281	C	S	.	.	H	α-helix	trans	-75.6	-27.7	-172.9	-62.8	-74.5	0	0	0	111.9	L357 K362 S363 F366 Y369 K388 L393 Q394	L357-Y390 HydrophobicContact CD1-CD1 3.58Å; L357-Y390 HydrophobicContact CD1-CG 4.22Å; K362-Y390 HydrophobicContact CD-CD1 4.39Å; K362-Y390 HydrophobicContact CD-CG 4.19Å; K362-Y390 HydrophobicContact CG-CD1 4.37Å; K362-Y390 HydrophobicContact CG-CG 4.42Å; S363-Y390 WeakPolarHBondContact CA-OH 3.44Å; F366-Y390 HydrophobicContact CB-CE1 4.3Å; Y369-Y390 HydrophobicContact CD2-CD1 4.46Å; Y369-Y390 AromaticContact CD2-CE1 3.92Å; Y369-Y390 HydrophobicContact CD2-CE1 3.92Å; Y369-Y390 HydrophobicContact CE2-CD1 4.03Å; Y369-Y390 AromaticContact CE2-CE1 3.9Å; Y369-Y390 HydrophobicContact CE2-CE1 3.9Å; K388-Y390 HydrophobicContact CB-CE2 4.08Å; K388-Y390 HydrophobicContact CD-CE1 4.4Å; K388-Y390 WeakPolarHBondContact CD-OH 3.32Å; Y390-L393 PolarHBondContact O-N 2.61Å; Y390-Q394 WeakPolarHBondContact O-CB 3.17Å; Y390-Q394 PolarHBondContact O-N 3.11Å
391	E	94.8	Very high	91.1	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	27%	0.266	S	S	*	.	H	α-helix	trans	-72.8	-45.1	-177.3	-64.1	59.6	-131.2	0	0	110.1	K362 N389 L393 Q394 K395	K362-E391 IonicContact NZ-OE1 3.82Å; K362-E391 PolarHBondContact NZ-OE1 3.33Å; N389-E391 VanDerWaalsContact C-N 3.34Å; N389-E391 PolarHBondContact OD1-N 3.2Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 3.08Å; E391-Q394 PolarHBondContact O-N 2.82Å; E391-K395 PolarHBondContact O-N 2.92Å; E391-K395 VanDerWaalsContact O-N 3.12Å
392	R	95.1	Very high	90.5	Very high	75 Å²	75	56.2 Å²	56.2	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-36.8	172.3	-178.7	65.1	-167.8	97.7	-12.8	111.9	F383 N389 A396 D422 L424	F383-R392 HydrophobicContact CE1-CB 4.29Å; F383-R392 HydrophobicContact CE1-CG 3.86Å; F383-R392 HydrophobicContact CZ-CG 4.42Å; N389-R392 HydrophobicContact CB-CB 4.27Å; N389-R392 VanDerWaalsContact CG-CB 3.48Å; N389-R392 VanDerWaalsContact OD1-CB 3.28Å; N389-R392 WeakPolarHBondContact OD1-CB 3.35Å; N389-R392 PolarHBondContact OD1-N 3.22Å; R392-A396 PolarHBondContact O-N 3.11Å; R392-A396 VanDerWaalsContact O-N 3.15Å; R392-D422 IonicContact CZ-OD1 3.59Å; R392-D422 IonicContact CZ-OD2 3.31Å; R392-D422 VanDerWaalsContact CZ-OD2 3.31Å; R392-D422 IonicContact NH1-OD1 3.87Å; R392-D422 IonicContact NH1-OD2 2.68Å; R392-D422 PolarHBondContact NH1-OD2 2.92Å; R392-D422 VanDerWaalsContact NH2-CG 3.31Å; R392-D422 IonicContact NH2-OD1 2.79Å; R392-D422 PolarHBondContact NH2-OD1 2.88Å; R392-D422 IonicContact NH2-OD2 3.13Å; R392-D422 PolarHBondContact NH2-OD2 3.13Å; R392-D422 VanDerWaalsContact NH2-OD2 3.13Å; R392-L424 HydrophobicContact CG-CD1 4.5Å; R392-L424 VanDerWaalsContact CZ-CD1 3.43Å; R392-L424 VanDerWaalsContact NH2-CD1 3.34Å
393	L	95.3	Very high	89.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-42.5	177.7	-179.7	60.5	0	0	0	111.7	L357 F366 Y369 P370 F383 N389 Y390 E391 A396 L397 L428	L357-L393 HydrophobicContact CD1-CD2 4.04Å; L357-L393 HydrophobicContact CD1-CG 4.47Å; L357-L393 HydrophobicContact CD2-CB 4.34Å; L357-L393 HydrophobicContact CD2-CD2 4.2Å; L357-L393 HydrophobicContact CD2-CG 3.87Å; F366-L393 HydrophobicContact CE1-CD2 4.01Å; F366-L393 HydrophobicContact CE2-CD2 4.47Å; F366-L393 HydrophobicContact CZ-CD2 3.94Å; Y369-L393 HydrophobicContact CD2-CD2 4.31Å; Y369-L393 HydrophobicContact CE2-CD2 3.71Å; P370-L393 HydrophobicContact CG-CD1 3.85Å; P370-L393 HydrophobicContact CG-CD2 3.96Å; F383-L393 HydrophobicContact CD1-CB 4.23Å; F383-L393 HydrophobicContact CD1-CD1 4.14Å; F383-L393 HydrophobicContact CD2-CD1 3.97Å; F383-L393 VanDerWaalsContact CE1-CA 3.46Å; F383-L393 HydrophobicContact CE1-CB 3.76Å; F383-L393 HydrophobicContact CE1-CD1 3.92Å; F383-L393 HydrophobicContact CE1-CG 4.46Å; F383-L393 HydrophobicContact CE2-CD1 3.74Å; F383-L393 HydrophobicContact CG-CD1 4.2Å; F383-L393 HydrophobicContact CZ-CB 4.2Å; F383-L393 HydrophobicContact CZ-CD1 3.73Å; N389-L393 WeakPolarHBondContact O-CB 3.41Å; N389-L393 PolarHBondContact O-N 3.41Å; Y390-L393 PolarHBondContact O-N 2.61Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 3.08Å; L393-A396 PolarHBondContact O-N 3.18Å; L393-L397 WeakPolarHBondContact O-CB 3.08Å; L393-L397 PolarHBondContact O-N 2.79Å; L393-L428 HydrophobicContact CD1-CD1 3.59Å; L393-L428 HydrophobicContact CD1-CD2 3.66Å; L393-L428 HydrophobicContact CD1-CG 4.28Å
394	Q	94.5	Very high	88.1	Confident	36 Å²	36	61.5 Å²	61.5	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-46.8	176	-175.4	65.1	61.4	0	0	110.4	L357 Y390 E391 A396 L397 D398	L357-Q394 HydrophobicContact CD2-CB 3.88Å; L357-Q394 HydrophobicContact CG-CB 4.4Å; L357-Q394 VanDerWaalsContact CG-OE1 3.3Å; Y390-Q394 WeakPolarHBondContact O-CB 3.17Å; Y390-Q394 PolarHBondContact O-N 3.11Å; E391-Q394 PolarHBondContact O-N 2.82Å; Q394-A396 PolarHBondContact O-N 2.8Å; Q394-L397 CarbonylContact O-C 3.53Å; Q394-L397 WeakPolarHBondContact O-CB 3.36Å; Q394-L397 PolarHBondContact O-N 3.4Å; Q394-L397 VanDerWaalsContact O-N 3.12Å; Q394-D398 PolarHBondContact NE2-OD1 2.86Å; Q394-D398 WeakPolarHBondContact O-CB 3.38Å; Q394-D398 PolarHBondContact O-N 2.98Å
395	K	94.9	Very high	87.1	Confident	131 Å²	131	63.3 Å²	63.3	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-57.2	-45.8	176.2	-172.8	-179.6	178.1	-176.1	0	112.6	E391 L397 D398 S399	E391-K395 PolarHBondContact O-N 2.92Å; E391-K395 VanDerWaalsContact O-N 3.12Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.82Å; K395-D398 PolarHBondContact O-N 3.38Å; K395-S399 PolarHBondContact O-N 2.83Å; K395-S399 PolarHBondContact O-OG 3.13Å
396	A	94.6	Very high	86	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-37.8	177	0	0	0	0	0	112.3	F383 R392 L393 Q394 S399 V400 L424 L428	F383-A396 HydrophobicContact CE2-CB 4.1Å; F383-A396 HydrophobicContact CZ-CB 3.7Å; R392-A396 PolarHBondContact O-N 3.11Å; R392-A396 VanDerWaalsContact O-N 3.15Å; L393-A396 PolarHBondContact O-N 3.18Å; Q394-A396 PolarHBondContact O-N 2.8Å; A396-S399 PolarHBondContact O-N 3.36Å; A396-V400 PolarHBondContact O-N 2.81Å; A396-L424 HydrophobicContact CB-CB 3.87Å; A396-L428 HydrophobicContact CB-CD2 3.86Å
397	L	93.1	Very high	84.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-70.2	-29.9	177.4	-171.6	61.9	0	0	0	112.9	V350 C353 R354 L357 L393 Q394 K395 S399 V400 L428 I432	V350-L397 HydrophobicContact CG1-CD1 4.15Å; C353-L397 HydrophobicContact CB-CD2 4.34Å; R354-L397 HydrophobicContact CB-CD2 4.02Å; R354-L397 PolarHBondContact NH2-O 2.71Å; L357-L397 HydrophobicContact CD2-CD2 3.97Å; L393-L397 WeakPolarHBondContact O-CB 3.08Å; L393-L397 PolarHBondContact O-N 2.79Å; Q394-L397 CarbonylContact O-C 3.53Å; Q394-L397 WeakPolarHBondContact O-CB 3.36Å; Q394-L397 PolarHBondContact O-N 3.4Å; Q394-L397 VanDerWaalsContact O-N 3.12Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.82Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-V400 HydrophobicContact CD1-CG2 4.31Å; L397-V400 WeakPolarHBondContact O-CB 3.4Å; L397-V400 PolarHBondContact O-N 2.67Å; L397-L428 HydrophobicContact CB-CD2 3.99Å; L397-L428 HydrophobicContact CD1-CD2 4.27Å; L397-I432 HydrophobicContact CD1-CD1 3.7Å
398	D	91.4	Very high	83.2	Confident	87 Å²	87	56.7 Å²	56.7	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-72.5	-26.1	173.4	-65.2	-23.3	0	0	0	112.4	R354 Q394 K395	R354-D398 IonicContact CZ-OD1 3.22Å; R354-D398 IonicContact NH1-OD1 2.69Å; R354-D398 PolarHBondContact NH1-OD1 2.92Å; R354-D398 IonicContact NH2-OD1 2.82Å; R354-D398 PolarHBondContact NH2-OD1 3.42Å; Q394-D398 PolarHBondContact NE2-OD1 2.86Å; Q394-D398 WeakPolarHBondContact O-CB 3.38Å; Q394-D398 PolarHBondContact O-N 2.98Å; K395-D398 PolarHBondContact O-N 3.38Å
399	S	92.6	Very high	81.5	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.154	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.6	172.2	-64.7	0	0	0	0	114.3	K395 A396 L397 M401 D422 A425	K395-S399 PolarHBondContact O-N 2.83Å; K395-S399 PolarHBondContact O-OG 3.13Å; A396-S399 PolarHBondContact O-N 3.36Å; L397-S399 VanDerWaalsContact C-N 3.32Å; S399-M401 PolarHBondContact O-N 3.25Å; S399-D422 VanDerWaalsContact CB-CB 3.5Å; S399-D422 WeakPolarHBondContact OG-CB 2.98Å; S399-A425 WeakPolarHBondContact O-CB 3.43Å
400	V	86.3	Confident	79.6	Confident	21 Å²	21	55.7 Å²	55.7	13%	0.127	29%	0.285	C	S	.	.			trans	-72.9	112.7	171.1	174.8	0	0	0	0	109.1	V350 A396 L397 M418 A425 L429	V350-V400 HydrophobicContact CG1-CG1 4.5Å; V350-V400 HydrophobicContact CG2-CG1 4.41Å; A396-V400 PolarHBondContact O-N 2.81Å; L397-V400 HydrophobicContact CD1-CG2 4.31Å; L397-V400 WeakPolarHBondContact O-CB 3.4Å; L397-V400 PolarHBondContact O-N 2.67Å; V400-M418 HydrophobicContact CB-CE 4.26Å; V400-M418 HydrophobicContact CG1-CE 4.01Å; V400-M418 HydrophobicContact CG2-CE 4.32Å; V400-A425 HydrophobicContact CG2-CB 4.34Å; V400-L429 HydrophobicContact CG1-CB 4.38Å; V400-L429 HydrophobicContact CG1-CD1 4.09Å; V400-L429 HydrophobicContact CG1-CD2 4.39Å; V400-L429 HydrophobicContact CG2-CB 4.45Å
401	M	79.5	Confident	78.1	Confident	21 Å²	21	60.9 Å²	60.9	10%	0.103	31%	0.305	C	S	.	.			trans	-58.3	152.7	176.6	-64.1	178.5	80.6	0	0	112.1	S399 E405 M406 Q417 M418 L421	S399-M401 PolarHBondContact O-N 3.25Å; M401-E405 HydrophobicContact CB-CB 4.49Å; M401-E405 HydrophobicContact CE-CB 3.84Å; M401-E405 HydrophobicContact CE-CG 4.49Å; M401-M406 HydrophobicContact CB-CG 4.17Å; M401-Q417 HydrophobicContact CE-CB 4.13Å; M401-Q417 HydrophobicContact SD-CB 3.81Å; M401-M418 HydrophobicContact CB-CG 4.43Å; M401-M418 HydrophobicContact CG-CG 3.84Å; M401-M418 HydrophobicContact SD-CG 3.61Å; M401-L421 HydrophobicContact CG-CD1 4.06Å
402	S	72.6	Confident	76.7	Confident	34 Å²	34	60 Å²	60	24%	0.238	30%	0.304	C	S	.	.			trans	-67.9	152	176.3	73.4	0	0	0	0	111.1	R404 E405 M406	S402-R404 PolarHBondContact O-N 3.3Å; S402-R404 VanDerWaalsContact O-N 3.14Å; S402-E405 WeakPolarHBondContact CA-OE2 3.33Å; S402-E405 VanDerWaalsContact CB-OE2 3.22Å; S402-E405 WeakPolarHBondContact CB-OE2 3.19Å; S402-E405 PolarHBondContact N-OE2 2.96Å; S402-E405 PolarHBondContact O-N 3.01Å; S402-E405 VanDerWaalsContact O-N 3.1Å; S402-E405 VanDerWaalsContact OG-CD 3.32Å; S402-E405 WeakPolarHBondContact OG-CG 3.06Å; S402-E405 PolarHBondContact OG-N 3.26Å; S402-E405 PolarHBondContact OG-OE2 3.4Å; S402-M406 WeakPolarHBondContact O-CG 3.32Å; S402-M406 PolarHBondContact O-N 3.27Å; S402-M406 VanDerWaalsContact O-N 3.08Å
403	I	67.6	Low	75.6	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-31.2	-178.7	-39	-56.5	0	0	0	111.9	A343 V346 D347 M406 T407 F567	A343-I403 HydrophobicContact CB-CG2 3.55Å; V346-I403 HydrophobicContact CB-CD1 3.84Å; V346-I403 HydrophobicContact CG1-CD1 3.59Å; D347-I403 HydrophobicContact CB-CD1 4.4Å; D347-I403 HydrophobicContact CB-CG1 3.74Å; I403-M406 HydrophobicContact CB-CE 4.39Å; I403-M406 HydrophobicContact CD1-CE 3.34Å; I403-M406 HydrophobicContact CG1-CE 4.4Å; I403-M406 HydrophobicContact CG2-CE 4.47Å; I403-M406 PolarHBondContact O-N 2.91Å; I403-T407 WeakPolarHBondContact O-CG2 3.34Å; I403-T407 PolarHBondContact O-N 2.89Å; I403-T407 PolarHBondContact O-OG1 3.1Å; I403-F567 HydrophobicContact CB-CD2 4.06Å; I403-F567 HydrophobicContact CB-CE2 3.92Å; I403-F567 HydrophobicContact CG1-CD2 4.42Å; I403-F567 HydrophobicContact CG2-CE2 4.04Å
404	R	62.1	Low	74.3	Confident	125 Å²	125	60.2 Å²	60.2	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-45.3	177	-172.2	175.2	-180	-170.5	-5.1	111.7	S402 M406 T407 Q408 S565	S402-R404 PolarHBondContact O-N 3.3Å; S402-R404 VanDerWaalsContact O-N 3.14Å; R404-M406 VanDerWaalsContact C-N 3.31Å; R404-T407 WeakPolarHBondContact CA-OG1 3.3Å; R404-T407 PolarHBondContact O-N 2.99Å; R404-T407 PolarHBondContact O-OG1 3.45Å; R404-Q408 WeakPolarHBondContact O-CG 3.32Å; R404-Q408 PolarHBondContact O-N 2.68Å; R404-S565 WeakPolarHBondContact CD-OG 3.32Å; R404-S565 PolarHBondContact NH1-OG 2.86Å
405	E	65.9	Low	73.4	Confident	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.2	-65.4	158.9	123.1	0	0	110.3	M401 S402 T407 Q408 I414	M401-E405 HydrophobicContact CB-CB 4.49Å; M401-E405 HydrophobicContact CE-CB 3.84Å; M401-E405 HydrophobicContact CE-CG 4.49Å; S402-E405 WeakPolarHBondContact CA-OE2 3.33Å; S402-E405 VanDerWaalsContact CB-OE2 3.22Å; S402-E405 WeakPolarHBondContact CB-OE2 3.19Å; S402-E405 PolarHBondContact N-OE2 2.96Å; S402-E405 PolarHBondContact O-N 3.01Å; S402-E405 VanDerWaalsContact O-N 3.1Å; S402-E405 VanDerWaalsContact OG-CD 3.32Å; S402-E405 WeakPolarHBondContact OG-CG 3.06Å; S402-E405 PolarHBondContact OG-N 3.26Å; S402-E405 PolarHBondContact OG-OE2 3.4Å; E405-T407 PolarHBondContact O-N 2.82Å; E405-Q408 WeakPolarHBondContact O-CB 3.4Å; E405-Q408 PolarHBondContact O-N 2.93Å; E405-I414 VanDerWaalsContact O-CD1 3.23Å; E405-I414 WeakPolarHBondContact O-CD1 3.34Å
406	M	65.9	Low	72.7	Confident	36 Å²	36	60.1 Å²	60.1	18%	0.177	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-26.8	176.6	-61.3	-163.1	-76.1	0	0	113.9	M401 S402 I403 R404 I414 M418 L429	M401-M406 HydrophobicContact CB-CG 4.17Å; S402-M406 WeakPolarHBondContact O-CG 3.32Å; S402-M406 PolarHBondContact O-N 3.27Å; S402-M406 VanDerWaalsContact O-N 3.08Å; I403-M406 HydrophobicContact CB-CE 4.39Å; I403-M406 HydrophobicContact CD1-CE 3.34Å; I403-M406 HydrophobicContact CG1-CE 4.4Å; I403-M406 HydrophobicContact CG2-CE 4.47Å; I403-M406 PolarHBondContact O-N 2.91Å; R404-M406 VanDerWaalsContact C-N 3.31Å; M406-I414 HydrophobicContact CB-CG2 4.02Å; M406-I414 HydrophobicContact CG-CG2 3.63Å; M406-I414 HydrophobicContact SD-CG2 4.25Å; M406-M418 HydrophobicContact SD-CE 4.45Å; M406-M418 HydrophobicContact SD-SD 4.31Å; M406-L429 HydrophobicContact CE-CD2 3.68Å; M406-L429 HydrophobicContact SD-CD2 3.34Å; M406-L429 WeakPolarHBondContact SD-CD2 3.16Å
407	T	58.3	Low	72.2	Confident	96 Å²	96	63.4 Å²	63.4	59%	0.589	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.2	173.7	55.3	0	0	0	0	114.8	I403 R404 E405	I403-T407 WeakPolarHBondContact O-CG2 3.34Å; I403-T407 PolarHBondContact O-N 2.89Å; I403-T407 PolarHBondContact O-OG1 3.1Å; R404-T407 WeakPolarHBondContact CA-OG1 3.3Å; R404-T407 PolarHBondContact O-N 2.99Å; R404-T407 PolarHBondContact O-OG1 3.45Å; E405-T407 PolarHBondContact O-N 2.82Å
408	Q	58.9	Low	71.7	Confident	134 Å²	134	63.4 Å²	63.4	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-92.6	-8.5	-176.6	-76.7	170.1	-13.8	0	0	114.4	R404 E405	R404-Q408 WeakPolarHBondContact O-CG 3.32Å; R404-Q408 PolarHBondContact O-N 2.68Å; E405-Q408 WeakPolarHBondContact O-CB 3.4Å; E405-Q408 PolarHBondContact O-N 2.93Å
409	G	57.9	Low	71.4	Confident	35 Å²	35	61.6 Å²	61.6	36%	0.361	31%	0.313	S	S	.	.	S	Bend	trans	-137.4	172.2	-177.4	0	0	0	0	0	112.9
410	S	55.2	Low	71.3	Confident	79 Å²	79	68.5 Å²	68.5	55%	0.552	34%	0.34	S	S	*	.			trans	-70.4	149.5	168.9	67.8	0	0	0	0	110.3	L412 E413 I414	S410-L412 PolarHBondContact O-N 3.44Å; S410-L412 VanDerWaalsContact O-N 3.1Å; S410-E413 PolarHBondContact O-N 3.09Å; S410-I414 WeakPolarHBondContact O-CG1 3.26Å; S410-I414 PolarHBondContact O-N 3.16Å
411	Y	64	Low	71.5	Confident	138 Å²	138	72.5 Å²	72.5	54%	0.541	36%	0.36	S	S	.	.	H	α-helix	trans	-48.5	-41.1	179.6	169.4	-104.1	0	0	0	113.4	E413 I414 K415 H426 Q430	Y411-E413 PolarHBondContact O-N 3.39Å; Y411-I414 PolarHBondContact O-N 3.27Å; Y411-K415 VanDerWaalsContact O-CB 3.32Å; Y411-K415 WeakPolarHBondContact O-CB 3.26Å; Y411-K415 PolarHBondContact O-N 2.96Å; Y411-H426 AromaticContact CE2-NE2 3.31Å; Y411-H426 VanDerWaalsContact CE2-NE2 3.31Å; Y411-H426 WeakPolarHBondContact CE2-NE2 3.37Å; Y411-H426 AromaticContact CZ-CE1 3.98Å; Y411-H426 AromaticContact CZ-NE2 3.51Å; Y411-H426 PolarHBondContact OH-CE1 2.88Å; Y411-H426 VanDerWaalsContact OH-CE1 3.3Å; Y411-H426 PolarHBondContact OH-NE2 3.32Å; Y411-Q430 PolarHBondContact OH-NE2 2.76Å
412	L	64.8	Low	72.2	Confident	106 Å²	106	71.7 Å²	71.7	56%	0.555	36%	0.357	S	S	*	.	H	α-helix	trans	-66.2	-35.9	179	-176.9	61.6	0	0	0	113	S410 K416	S410-L412 PolarHBondContact O-N 3.44Å; S410-L412 VanDerWaalsContact O-N 3.1Å; L412-K416 VanDerWaalsContact O-CG 3.27Å; L412-K416 WeakPolarHBondContact O-CG 3.24Å; L412-K416 PolarHBondContact O-N 2.92Å; L412-K416 VanDerWaalsContact O-N 3.09Å
413	E	72.7	Confident	73	Confident	69 Å²	69	72.4 Å²	72.4	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-74.3	-43.2	177.2	-177.4	52.7	-149.3	0	0	111	S410 Y411 K415 K416 Q417	S410-E413 PolarHBondContact O-N 3.09Å; Y411-E413 PolarHBondContact O-N 3.39Å; E413-K415 VanDerWaalsContact C-N 3.34Å; E413-K415 PolarHBondContact O-N 3.04Å; E413-K416 WeakPolarHBondContact O-CB 3.46Å; E413-K416 PolarHBondContact O-N 3.05Å; E413-Q417 WeakPolarHBondContact O-CG 3.43Å; E413-Q417 PolarHBondContact O-N 3.1Å; E413-Q417 PolarHBondContact OE1-NE2 3.02Å
414	I	68.1	Low	74.2	Confident	11 Å²	11	72 Å²	72	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-45.7	173.8	-61.1	-53.2	0	0	0	111.1	E405 M406 S410 Y411 K416 Q417 M418	E405-I414 VanDerWaalsContact O-CD1 3.23Å; E405-I414 WeakPolarHBondContact O-CD1 3.34Å; M406-I414 HydrophobicContact CB-CG2 4.02Å; M406-I414 HydrophobicContact CG-CG2 3.63Å; M406-I414 HydrophobicContact SD-CG2 4.25Å; S410-I414 WeakPolarHBondContact O-CG1 3.26Å; S410-I414 PolarHBondContact O-N 3.16Å; Y411-I414 PolarHBondContact O-N 3.27Å; I414-K416 PolarHBondContact O-N 3.27Å; I414-Q417 PolarHBondContact O-N 3.25Å; I414-Q417 VanDerWaalsContact O-N 3.14Å; I414-M418 HydrophobicContact CG2-SD 4.3Å; I414-M418 WeakPolarHBondContact O-CG 3.37Å; I414-M418 PolarHBondContact O-N 3.45Å
415	K	75.4	Confident	75.5	Confident	66 Å²	66	66 Å²	66	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-48.3	174.1	-177.7	-178.5	-176.7	-58.3	0	111.5	Y411 E413 Q417 M418 D419 H426	Y411-K415 VanDerWaalsContact O-CB 3.32Å; Y411-K415 WeakPolarHBondContact O-CB 3.26Å; Y411-K415 PolarHBondContact O-N 2.96Å; E413-K415 VanDerWaalsContact C-N 3.34Å; E413-K415 PolarHBondContact O-N 3.04Å; K415-Q417 VanDerWaalsContact C-N 3.25Å; K415-Q417 PolarHBondContact O-N 3.38Å; K415-M418 PolarHBondContact O-N 3.29Å; K415-D419 IonicContact NZ-OD1 2.65Å; K415-D419 PolarHBondContact NZ-OD1 3.18Å; K415-D419 IonicContact NZ-OD2 2.92Å; K415-D419 PolarHBondContact NZ-OD2 2.87Å; K415-D419 WeakPolarHBondContact O-CB 3.42Å; K415-D419 PolarHBondContact O-N 3.21Å; K415-H426 HydrophobicContact CG-CB 4.47Å
416	K	80.4	Confident	76.3	Confident	100 Å²	100	63.2 Å²	63.2	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-33.8	176.4	-76.1	170.9	-178.7	177.2	0	112.9	L412 E413 I414 K420	L412-K416 VanDerWaalsContact O-CG 3.27Å; L412-K416 WeakPolarHBondContact O-CG 3.24Å; L412-K416 PolarHBondContact O-N 2.92Å; L412-K416 VanDerWaalsContact O-N 3.09Å; E413-K416 WeakPolarHBondContact O-CB 3.46Å; E413-K416 PolarHBondContact O-N 3.05Å; I414-K416 PolarHBondContact O-N 3.27Å; K416-K420 WeakPolarHBondContact O-CD 3.37Å; K416-K420 VanDerWaalsContact O-CG 3.25Å; K416-K420 WeakPolarHBondContact O-CG 3.34Å; K416-K420 PolarHBondContact O-N 3.26Å
417	Q	83	Confident	77	Confident	69 Å²	69	62.8 Å²	62.8	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-72.5	-43.8	176.6	-70.3	174.4	12.6	0	0	111.4	M401 E413 I414 K415 K420 L421	M401-Q417 HydrophobicContact CE-CB 4.13Å; M401-Q417 HydrophobicContact SD-CB 3.81Å; E413-Q417 WeakPolarHBondContact O-CG 3.43Å; E413-Q417 PolarHBondContact O-N 3.1Å; E413-Q417 PolarHBondContact OE1-NE2 3.02Å; I414-Q417 PolarHBondContact O-N 3.25Å; I414-Q417 VanDerWaalsContact O-N 3.14Å; K415-Q417 VanDerWaalsContact C-N 3.25Å; K415-Q417 PolarHBondContact O-N 3.38Å; Q417-K420 PolarHBondContact O-N 3.15Å; Q417-L421 PolarHBondContact O-N 2.63Å
418	M	82.8	Confident	78.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-46.6	172.7	-66.1	-178	96.7	0	0	111.9	V400 M401 M406 I414 K415 K420 L421 D422 A425 H426 L429	V400-M418 HydrophobicContact CB-CE 4.26Å; V400-M418 HydrophobicContact CG1-CE 4.01Å; V400-M418 HydrophobicContact CG2-CE 4.32Å; M401-M418 HydrophobicContact CB-CG 4.43Å; M401-M418 HydrophobicContact CG-CG 3.84Å; M401-M418 HydrophobicContact SD-CG 3.61Å; M406-M418 HydrophobicContact SD-CE 4.45Å; M406-M418 HydrophobicContact SD-SD 4.31Å; I414-M418 HydrophobicContact CG2-SD 4.3Å; I414-M418 WeakPolarHBondContact O-CG 3.37Å; I414-M418 PolarHBondContact O-N 3.45Å; K415-M418 PolarHBondContact O-N 3.29Å; M418-K420 PolarHBondContact O-N 3.27Å; M418-L421 WeakPolarHBondContact O-CB 3.44Å; M418-L421 PolarHBondContact O-N 2.89Å; M418-D422 CarbonylContact O-C 3.44Å; M418-D422 PolarHBondContact O-N 2.92Å; M418-D422 VanDerWaalsContact O-O 3.1Å; M418-A425 HydrophobicContact CB-CB 4.38Å; M418-A425 HydrophobicContact CE-CB 4.2Å; M418-H426 HydrophobicContact CB-CB 4.03Å; M418-H426 HydrophobicContact SD-CB 3.89Å; M418-L429 HydrophobicContact CE-CB 4.24Å; M418-L429 HydrophobicContact CE-CD2 3.79Å; M418-L429 HydrophobicContact SD-CD2 4.29Å
419	D	85.9	Confident	79.5	Confident	50 Å²	50	52.5 Å²	52.5	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-31.8	179.7	-67.8	-19.5	0	0	0	112.2	K415	K415-D419 IonicContact NZ-OD1 2.65Å; K415-D419 PolarHBondContact NZ-OD1 3.18Å; K415-D419 IonicContact NZ-OD2 2.92Å; K415-D419 PolarHBondContact NZ-OD2 2.87Å; K415-D419 WeakPolarHBondContact O-CB 3.42Å; K415-D419 PolarHBondContact O-N 3.21Å
420	K	90.3	Very high	80.4	Confident	167 Å²	167	53.5 Å²	53.5	73%	0.726	26%	0.263	S	S	*	.	H	α-helix	trans	-70.9	-29.8	173.3	-75.5	167.8	-176.6	172.7	0	113.4	K416 Q417 M418	K416-K420 WeakPolarHBondContact O-CD 3.37Å; K416-K420 VanDerWaalsContact O-CG 3.25Å; K416-K420 WeakPolarHBondContact O-CG 3.34Å; K416-K420 PolarHBondContact O-N 3.26Å; Q417-K420 PolarHBondContact O-N 3.15Å; M418-K420 PolarHBondContact O-N 3.27Å
421	L	90.7	Very high	81.8	Confident	105 Å²	105	50.6 Å²	50.6	55%	0.55	24%	0.24	S	C	.	.	H	α-helix	trans	-81.7	-50.2	178	-64.7	174.4	0	0	0	110.9	M401 Q417 M418	M401-L421 HydrophobicContact CG-CD1 4.06Å; Q417-L421 PolarHBondContact O-N 2.63Å; M418-L421 WeakPolarHBondContact O-CB 3.44Å; M418-L421 PolarHBondContact O-N 2.89Å
422	D	92.9	Very high	82.7	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.215	C	C	.	.			trans	-160.3	121.6	173	-170.1	-41.5	0	0	0	109.4	R392 S399 M418 L424 A425	R392-D422 IonicContact CZ-OD1 3.59Å; R392-D422 IonicContact CZ-OD2 3.31Å; R392-D422 VanDerWaalsContact CZ-OD2 3.31Å; R392-D422 IonicContact NH1-OD1 3.87Å; R392-D422 IonicContact NH1-OD2 2.68Å; R392-D422 PolarHBondContact NH1-OD2 2.92Å; R392-D422 VanDerWaalsContact NH2-CG 3.31Å; R392-D422 IonicContact NH2-OD1 2.79Å; R392-D422 PolarHBondContact NH2-OD1 2.88Å; R392-D422 IonicContact NH2-OD2 3.13Å; R392-D422 PolarHBondContact NH2-OD2 3.13Å; R392-D422 VanDerWaalsContact NH2-OD2 3.13Å; S399-D422 VanDerWaalsContact CB-CB 3.5Å; S399-D422 WeakPolarHBondContact OG-CB 2.98Å; M418-D422 CarbonylContact O-C 3.44Å; M418-D422 PolarHBondContact O-N 2.92Å; M418-D422 VanDerWaalsContact O-O 3.1Å; D422-L424 PolarHBondContact O-N 3.04Å; D422-L424 WeakPolarHBondContact OD1-CB 3.23Å; D422-L424 PolarHBondContact OD1-N 3.05Å; D422-A425 HydrophobicContact CB-CB 4.24Å; D422-A425 WeakPolarHBondContact O-CB 3.48Å; D422-A425 PolarHBondContact O-N 3.11Å
423	P	91.1	Very high	83.3	Confident	48 Å²	48	41.3 Å²	41.3	31%	0.312	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-20.4	177.4	-28.7	35.9	0	0	0	115.1	P375 P427	P375-P423 HydrophobicContact CB-CB 4.48Å; P375-P423 HydrophobicContact CG-CB 4.16Å; P375-P423 WeakPolarHBondContact CG-O 3.26Å; P423-P427 WeakPolarHBondContact O-CD 3.33Å; P423-P427 WeakPolarHBondContact O-CG 3.48Å
424	L	90.9	Very high	83.2	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.9	176.2	-59.1	-174.5	0	0	0	114.2	P375 A382 F383 R392 A396 D422 L428	P375-L424 HydrophobicContact CG-CD2 4.05Å; A382-L424 HydrophobicContact CB-CD1 3.63Å; A382-L424 HydrophobicContact CB-CD2 3.57Å; A382-L424 HydrophobicContact CB-CG 4.27Å; F383-L424 HydrophobicContact CE1-CD1 4.12Å; F383-L424 HydrophobicContact CE2-CB 4.05Å; F383-L424 HydrophobicContact CE2-CD1 3.81Å; F383-L424 HydrophobicContact CE2-CG 4.5Å; F383-L424 HydrophobicContact CZ-CB 4.27Å; F383-L424 HydrophobicContact CZ-CD1 3.54Å; R392-L424 HydrophobicContact CG-CD1 4.5Å; R392-L424 VanDerWaalsContact CZ-CD1 3.43Å; R392-L424 VanDerWaalsContact NH2-CD1 3.34Å; A396-L424 HydrophobicContact CB-CB 3.87Å; D422-L424 PolarHBondContact O-N 3.04Å; D422-L424 WeakPolarHBondContact OD1-CB 3.23Å; D422-L424 PolarHBondContact OD1-N 3.05Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 PolarHBondContact O-N 2.96Å
425	A	89.8	Confident	83.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-48.1	-176.4	0	0	0	0	0	112.1	S399 V400 M418 D422 L428 L429	S399-A425 WeakPolarHBondContact O-CB 3.43Å; V400-A425 HydrophobicContact CG2-CB 4.34Å; M418-A425 HydrophobicContact CB-CB 4.38Å; M418-A425 HydrophobicContact CE-CB 4.2Å; D422-A425 HydrophobicContact CB-CB 4.24Å; D422-A425 WeakPolarHBondContact O-CB 3.48Å; D422-A425 PolarHBondContact O-N 3.11Å; A425-L428 PolarHBondContact O-N 3.17Å; A425-L429 WeakPolarHBondContact O-CB 3.45Å; A425-L429 PolarHBondContact O-N 3.28Å
426	H	82.8	Confident	83.3	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-50.4	178	173.4	-85	0	0	0	112.7	Y411 K415 M418 L428 L429 Q430	Y411-H426 AromaticContact CE2-NE2 3.31Å; Y411-H426 VanDerWaalsContact CE2-NE2 3.31Å; Y411-H426 WeakPolarHBondContact CE2-NE2 3.37Å; Y411-H426 AromaticContact CZ-CE1 3.98Å; Y411-H426 AromaticContact CZ-NE2 3.51Å; Y411-H426 PolarHBondContact OH-CE1 2.88Å; Y411-H426 VanDerWaalsContact OH-CE1 3.3Å; Y411-H426 PolarHBondContact OH-NE2 3.32Å; K415-H426 HydrophobicContact CG-CB 4.47Å; M418-H426 HydrophobicContact CB-CB 4.03Å; M418-H426 HydrophobicContact SD-CB 3.89Å; H426-L428 VanDerWaalsContact C-N 3.28Å; H426-L428 PolarHBondContact O-N 3.42Å; H426-L429 PolarHBondContact O-N 3.04Å; H426-Q430 PolarHBondContact CE1-NE2 2.85Å; H426-Q430 VanDerWaalsContact CE1-NE2 3.31Å; H426-Q430 PolarHBondContact O-N 3.06Å
427	P	81.4	Confident	82.4	Confident	27 Å²	27	35 Å²	35	18%	0.175	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-36.5	172.7	-27.9	35.8	0	0	0	114.3	V372 P375 P423 W431	V372-P427 HydrophobicContact CG1-CB 3.51Å; P375-P427 HydrophobicContact CG-CG 4.31Å; P423-P427 WeakPolarHBondContact O-CD 3.33Å; P423-P427 WeakPolarHBondContact O-CG 3.48Å; P427-W431 PolarHBondContact O-N 2.9Å
428	L	86.6	Confident	81.5	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-44.4	175.3	178	60.5	0	0	0	111.7	P370 F383 L393 A396 L397 L424 A425 H426 Q430 W431 I432	P370-L428 HydrophobicContact CB-CD1 4.2Å; P370-L428 HydrophobicContact CG-CD1 4Å; F383-L428 HydrophobicContact CD2-CD1 4.38Å; F383-L428 HydrophobicContact CE2-CB 4.33Å; F383-L428 HydrophobicContact CE2-CD1 4.3Å; F383-L428 HydrophobicContact CE2-CD2 4.33Å; L393-L428 HydrophobicContact CD1-CD1 3.59Å; L393-L428 HydrophobicContact CD1-CD2 3.66Å; L393-L428 HydrophobicContact CD1-CG 4.28Å; A396-L428 HydrophobicContact CB-CD2 3.86Å; L397-L428 HydrophobicContact CB-CD2 3.99Å; L397-L428 HydrophobicContact CD1-CD2 4.27Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 PolarHBondContact O-N 2.96Å; A425-L428 PolarHBondContact O-N 3.17Å; H426-L428 VanDerWaalsContact C-N 3.28Å; H426-L428 PolarHBondContact O-N 3.42Å; L428-Q430 VanDerWaalsContact C-N 3.35Å; L428-Q430 PolarHBondContact O-N 3.29Å; L428-W431 HydrophobicContact CD1-CE3 4.32Å; L428-W431 CarbonylContact O-C 3.19Å; L428-W431 WeakPolarHBondContact O-CB 3.29Å; L428-W431 PolarHBondContact O-N 2.69Å; L428-I432 HydrophobicContact CD1-CD1 4.36Å; L428-I432 HydrophobicContact CD1-CG1 4.35Å; L428-I432 HydrophobicContact CG-CD1 4.08Å; L428-I432 HydrophobicContact CG-CG1 4.49Å; L428-I432 WeakPolarHBondContact O-CG1 3.46Å; L428-I432 PolarHBondContact O-N 3.23Å
429	L	82.8	Confident	80.8	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-45.6	175.4	175.7	63.8	0	0	0	111.4	V346 V350 V400 M406 M418 A425 H426 W431 I432 I433	V346-L429 HydrophobicContact CG1-CD1 3.78Å; V350-L429 HydrophobicContact CG2-CD1 3.88Å; V400-L429 HydrophobicContact CG1-CB 4.38Å; V400-L429 HydrophobicContact CG1-CD1 4.09Å; V400-L429 HydrophobicContact CG1-CD2 4.39Å; V400-L429 HydrophobicContact CG2-CB 4.45Å; M406-L429 HydrophobicContact CE-CD2 3.68Å; M406-L429 HydrophobicContact SD-CD2 3.34Å; M406-L429 WeakPolarHBondContact SD-CD2 3.16Å; M418-L429 HydrophobicContact CE-CB 4.24Å; M418-L429 HydrophobicContact CE-CD2 3.79Å; M418-L429 HydrophobicContact SD-CD2 4.29Å; A425-L429 WeakPolarHBondContact O-CB 3.45Å; A425-L429 PolarHBondContact O-N 3.28Å; H426-L429 PolarHBondContact O-N 3.04Å; L429-W431 VanDerWaalsContact C-N 3.3Å; L429-W431 PolarHBondContact O-N 2.96Å; L429-I432 PolarHBondContact O-N 3.21Å; L429-I432 VanDerWaalsContact O-N 3.12Å; L429-I433 HydrophobicContact CD1-CD1 4.01Å; L429-I433 HydrophobicContact CD1-CG1 4.31Å; L429-I433 HydrophobicContact CG-CD1 4.04Å; L429-I433 WeakPolarHBondContact O-CG1 3.48Å; L429-I433 PolarHBondContact O-N 2.7Å
430	Q	76.6	Confident	80.4	Confident	55 Å²	55	32.7 Å²	32.7	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-56.2	-45.3	173.8	-73.4	-174.6	-44.7	0	0	111.3	Y327 Y411 H426 L428 I433 S434	Y327-Q430 HydrophobicContact CE1-CB 4.42Å; Y411-Q430 PolarHBondContact OH-NE2 2.76Å; H426-Q430 PolarHBondContact CE1-NE2 2.85Å; H426-Q430 VanDerWaalsContact CE1-NE2 3.31Å; H426-Q430 PolarHBondContact O-N 3.06Å; L428-Q430 VanDerWaalsContact C-N 3.35Å; L428-Q430 PolarHBondContact O-N 3.29Å; Q430-I433 PolarHBondContact O-N 3.3Å; Q430-S434 WeakPolarHBondContact O-CB 3.34Å; Q430-S434 PolarHBondContact O-N 2.88Å; Q430-S434 PolarHBondContact O-OG 3.03Å
431	W	83.8	Confident	79.6	Confident	19 Å²	19	27.4 Å²	27.4	7%	0.072	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-39.4	175	-179.7	92.5	0	0	0	112.8	P368 P370 V372 P427 L428 L429 I433 S435 H493	P368-W431 HydrophobicContact CB-CZ2 4.26Å; P368-W431 HydrophobicContact CG-CH2 4.24Å; P368-W431 HydrophobicContact CG-CZ2 4.05Å; P368-W431 WeakPolarHBondContact O-CH2 3.34Å; P370-W431 VanDerWaalsContact CA-CE2 3.5Å; P370-W431 HydrophobicContact CB-CD2 3.73Å; P370-W431 HydrophobicContact CB-CE3 3.85Å; P370-W431 HydrophobicContact CB-CG 4.23Å; P370-W431 HydrophobicContact CB-CH2 4.32Å; P370-W431 HydrophobicContact CB-CZ2 4.2Å; P370-W431 HydrophobicContact CB-CZ3 4.16Å; P370-W431 HydrophobicContact CG-CD2 4.28Å; P370-W431 HydrophobicContact CG-CE3 3.91Å; P370-W431 HydrophobicContact CG-CH2 4.04Å; P370-W431 HydrophobicContact CG-CZ2 4.38Å; P370-W431 HydrophobicContact CG-CZ3 3.79Å; V372-W431 HydrophobicContact CG2-CB 3.99Å; V372-W431 HydrophobicContact CG2-CG 4.23Å; P427-W431 PolarHBondContact O-N 2.9Å; L428-W431 HydrophobicContact CD1-CE3 4.32Å; L428-W431 CarbonylContact O-C 3.19Å; L428-W431 WeakPolarHBondContact O-CB 3.29Å; L428-W431 PolarHBondContact O-N 2.69Å; L429-W431 VanDerWaalsContact C-N 3.3Å; L429-W431 PolarHBondContact O-N 2.96Å; W431-I433 VanDerWaalsContact C-N 3.32Å; W431-I433 PolarHBondContact O-N 3.44Å; W431-S435 WeakPolarHBondContact O-CB 3.43Å; W431-S435 PolarHBondContact O-N 2.86Å; W431-S435 PolarHBondContact O-OG 2.8Å; W431-H493 AromaticContact CH2-CE1 3.93Å
432	I	84.1	Confident	79	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-41	177.2	-70.7	171	0	0	0	110.6	L349 V350 C353 L397 L428 L429 R497	L349-I432 HydrophobicContact CB-CG2 3.71Å; V350-I432 HydrophobicContact CG2-CD1 4.37Å; V350-I432 HydrophobicContact CG2-CG2 4.25Å; C353-I432 HydrophobicContact CB-CD1 4.18Å; L397-I432 HydrophobicContact CD1-CD1 3.7Å; L428-I432 HydrophobicContact CD1-CD1 4.36Å; L428-I432 HydrophobicContact CD1-CG1 4.35Å; L428-I432 HydrophobicContact CG-CD1 4.08Å; L428-I432 HydrophobicContact CG-CG1 4.49Å; L428-I432 WeakPolarHBondContact O-CG1 3.46Å; L428-I432 PolarHBondContact O-N 3.23Å; L429-I432 PolarHBondContact O-N 3.21Å; L429-I432 VanDerWaalsContact O-N 3.12Å; I432-R497 PolarHBondContact O-NH2 3.12Å
433	I	76.1	Confident	78	Confident	46 Å²	46	25.4 Å²	25.4	24%	0.236	14%	0.137	C	C	.	.	H	α-helix	trans	-72.1	-52.1	178.5	-62.4	167.2	0	0	0	110.5	V346 L429 Q430 W431 S435 N436	V346-I433 HydrophobicContact CG1-CD1 3.8Å; V346-I433 HydrophobicContact CG1-CG1 3.92Å; V346-I433 HydrophobicContact CG2-CD1 4.1Å; V346-I433 HydrophobicContact CG2-CG1 4.21Å; L429-I433 HydrophobicContact CD1-CD1 4.01Å; L429-I433 HydrophobicContact CD1-CG1 4.31Å; L429-I433 HydrophobicContact CG-CD1 4.04Å; L429-I433 WeakPolarHBondContact O-CG1 3.48Å; L429-I433 PolarHBondContact O-N 2.7Å; Q430-I433 PolarHBondContact O-N 3.3Å; W431-I433 VanDerWaalsContact C-N 3.32Å; W431-I433 PolarHBondContact O-N 3.44Å; I433-S435 PolarHBondContact O-N 2.75Å; I433-N436 WeakPolarHBondContact O-CB 3.48Å; I433-N436 PolarHBondContact O-N 2.96Å
434	S	70.6	Confident	77.1	Confident	46 Å²	46	26.3 Å²	26.3	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-72	-25.6	-173.9	68.6	0	0	0	0	114.3	Y327 Q430 N436	Y327-S434 PolarHBondContact OH-OG 2.96Å; Q430-S434 WeakPolarHBondContact O-CB 3.34Å; Q430-S434 PolarHBondContact O-N 2.88Å; Q430-S434 PolarHBondContact O-OG 3.03Å; S434-N436 VanDerWaalsContact C-N 3.29Å
435	S	74.8	Confident	76.3	Confident	16 Å²	16	33 Å²	33	11%	0.112	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.4	174.9	63.6	0	0	0	0	113.7	W431 I433 R437 R497	W431-S435 WeakPolarHBondContact O-CB 3.43Å; W431-S435 PolarHBondContact O-N 2.86Å; W431-S435 PolarHBondContact O-OG 2.8Å; I433-S435 PolarHBondContact O-N 2.75Å; S435-R437 PolarHBondContact O-N 2.92Å; S435-R497 PolarHBondContact OG-NE 3.02Å; S435-R497 PolarHBondContact OG-NH2 3.23Å
436	N	70.9	Confident	75.6	Confident	26 Å²	26	37.4 Å²	37.4	14%	0.139	21%	0.209	C	C	.	.			trans	-75.3	109.4	176.1	178.1	48.9	0	0	0	111	L349 I433 S434 S438	L349-N436 HydrophobicContact CD1-CB 3.72Å; L349-N436 HydrophobicContact CD2-CB 3.96Å; I433-N436 WeakPolarHBondContact O-CB 3.48Å; I433-N436 PolarHBondContact O-N 2.96Å; S434-N436 VanDerWaalsContact C-N 3.29Å; N436-S438 PolarHBondContact ND2-O 2.95Å
437	R	63.4	Low	75.4	Confident	25 Å²	25	40 Å²	40	9%	0.094	22%	0.218	C	C	.	.			trans	-87.8	-29.6	-176.6	-73.3	171.3	-177.5	170.5	-0.1	113.7	M311 S435 H439	M311-R437 HydrophobicContact CB-CG 4.42Å; M311-R437 HydrophobicContact CE-CG 3.67Å; M311-R437 HydrophobicContact CG-CG 4.03Å; M311-R437 VanDerWaalsContact CG-NE 3.33Å; M311-R437 HydrophobicContact SD-CG 4.33Å; M311-R437 PolarHBondContact SD-NE 2.86Å; M311-R437 PolarHBondContact SD-NH2 2.79Å; S435-R437 PolarHBondContact O-N 2.92Å; R437-H439 PolarHBondContact O-N 2.81Å
438	S	62.9	Low	75.6	Confident	13 Å²	13	39.8 Å²	39.8	9%	0.091	22%	0.215	C	C	.	.	S	Bend	trans	-69.9	119.2	172.9	-67.8	0	0	0	0	109.1	N436 I440 L496	N436-S438 PolarHBondContact ND2-O 2.95Å; S438-I440 VanDerWaalsContact C-N 3.32Å; S438-I440 WeakPolarHBondContact O-CG1 3.25Å; S438-I440 PolarHBondContact O-N 3.28Å; S438-L496 PolarHBondContact OG-O 2.91Å; S438-L496 VanDerWaalsContact OG-O 3.13Å
439	H	69.4	Low	75.7	Confident	50 Å²	50	39.6 Å²	39.6	23%	0.231	21%	0.214	C	C	.	.			trans	-73.1	93.8	170.4	-173.9	37.7	0	0	0	108.9	L312 R437 L461	L312-H439 HydrophobicContact CD2-CB 3.44Å; L312-H439 VanDerWaalsContact CD2-CB 3.44Å; R437-H439 PolarHBondContact O-N 2.81Å; H439-L461 HydrophobicContact CB-CB 4.37Å; H439-L461 PolarHBondContact O-N 2.77Å
440	I	76.7	Confident	75.9	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	-178.6	-61	160.7	0	0	0	107.4	V345 L349 S438 F458 L460 L496	V345-I440 HydrophobicContact CG1-CB 3.83Å; V345-I440 HydrophobicContact CG1-CD1 4.43Å; V345-I440 HydrophobicContact CG1-CG2 3.89Å; V345-I440 HydrophobicContact CG2-CB 4.45Å; V345-I440 HydrophobicContact CG2-CG2 3.9Å; L349-I440 HydrophobicContact CD2-CD1 4.42Å; S438-I440 VanDerWaalsContact C-N 3.32Å; S438-I440 WeakPolarHBondContact O-CG1 3.25Å; S438-I440 PolarHBondContact O-N 3.28Å; I440-F458 HydrophobicContact CG2-CB 3.69Å; I440-F458 HydrophobicContact CG2-CD1 3.77Å; I440-F458 HydrophobicContact CG2-CG 3.95Å; I440-L460 HydrophobicContact CG1-CD1 3.92Å; I440-L460 HydrophobicContact CG1-CG 3.97Å; I440-L460 HydrophobicContact CG2-CD1 4.29Å; I440-L496 HydrophobicContact CD1-CD1 3.72Å; I440-L496 HydrophobicContact CD1-CD2 4.09Å; I440-L496 HydrophobicContact CD1-CG 4.43Å
441	V	73.9	Confident	76.4	Confident	56 Å²	56	44.6 Å²	44.6	34%	0.339	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.9	177.4	174.9	0	0	0	0	108.3	F458 L459 L461	V441-F458 CarbonylContact O-C 3.58Å; V441-F458 WeakPolarHBondContact O-CA 3.31Å; V441-L459 PolarHBondContact N-O 2.99Å; V441-L459 PolarHBondContact O-N 3.46Å; V441-L461 HydrophobicContact CB-CD1 4.16Å; V441-L461 HydrophobicContact CG2-CD1 3.59Å; V441-L461 HydrophobicContact CG2-CG 4.48Å
442	K	76.9	Confident	76.7	Confident	62 Å²	62	43.7 Å²	43.7	27%	0.27	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135	174.9	-173.6	-179.9	172.2	-177.6	0	110	E344 S455 F458	E344-K442 HydrophobicContact CB-CD 4.43Å; E344-K442 IonicContact OE1-NZ 3.5Å; E344-K442 PolarHBondContact OE1-NZ 2.73Å; E344-K442 WeakPolarHBondContact OE2-CD 3.31Å; E344-K442 WeakPolarHBondContact OE2-CE 3.37Å; E344-K442 IonicContact OE2-NZ 3.51Å; E344-K442 PolarHBondContact OE2-NZ 3.5Å; K442-S455 WeakPolarHBondContact CE-O 3.41Å; K442-F458 HydrophobicContact CB-CD1 3.86Å; K442-F458 HydrophobicContact CB-CE1 3.91Å; K442-F458 HydrophobicContact CG-CD1 4.28Å; K442-F458 HydrophobicContact CG-CE1 4.14Å
443	L	72.9	Confident	76.9	Confident	5 Å²	5	49 Å²	49	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-74.1	127.7	175	-72.2	173.5	0	0	0	110.8	R447 Q448 Q457 L459 F606 V634	L443-R447 HydrophobicContact CD2-CB 4.26Å; L443-Q448 HydrophobicContact CB-CG 3.95Å; L443-Q448 PolarHBondContact O-NE2 3.27Å; L443-Q457 HydrophobicContact CB-CB 4.32Å; L443-Q457 HydrophobicContact CD1-CB 3.99Å; L443-Q457 PolarHBondContact N-O 3.18Å; L443-L459 HydrophobicContact CD2-CB 3.91Å; L443-L459 HydrophobicContact CD2-CD2 4.22Å; L443-L459 HydrophobicContact CG-CB 4.21Å; L443-F606 HydrophobicContact CD1-CD1 3.9Å; L443-F606 HydrophobicContact CD1-CE1 3.94Å; L443-V634 HydrophobicContact CD1-CG1 4.17Å; L443-V634 HydrophobicContact CD2-CG1 3.83Å
444	P	70.8	Confident	77.4	Confident	68 Å²	68	47.1 Å²	47.1	44%	0.442	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-65	151.9	170.1	29.7	-35	0	0	0	110	S446 R447 Q448	P444-S446 PolarHBondContact O-N 3.37Å; P444-R447 HydrophobicContact CG-CB 4.1Å; P444-R447 HydrophobicContact CG-CG 4.19Å; P444-R447 PolarHBondContact O-N 3.02Å; P444-Q448 PolarHBondContact O-N 3.36Å
445	L	74.6	Confident	78.1	Confident	143 Å²	143	47.8 Å²	47.8	75%	0.749	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-50.2	-35.2	-174.3	-65.4	172.1	0	0	0	113.7	R447 Q448	L445-R447 VanDerWaalsContact C-N 3.31Å; L445-R447 PolarHBondContact O-N 2.97Å; L445-Q448 PolarHBondContact O-N 3.34Å
446	S	76.4	Confident	78.7	Confident	94 Å²	94	47.6 Å²	47.6	66%	0.657	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.2	-26.4	177.3	54.3	0	0	0	0	114.7	P444	P444-S446 PolarHBondContact O-N 3.37Å
447	R	77.9	Confident	79.7	Confident	63 Å²	63	46.5 Å²	46.5	24%	0.238	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-106.1	4.1	-178.8	-66.9	-178.1	69.2	-168.4	-3.8	113.5	L443 P444 L445 V634	L443-R447 HydrophobicContact CD2-CB 4.26Å; P444-R447 HydrophobicContact CG-CB 4.1Å; P444-R447 HydrophobicContact CG-CG 4.19Å; P444-R447 PolarHBondContact O-N 3.02Å; L445-R447 VanDerWaalsContact C-N 3.31Å; L445-R447 PolarHBondContact O-N 2.97Å; R447-V634 HydrophobicContact CB-CG1 4.4Å; R447-V634 PolarHBondContact NH2-O 3.33Å; R447-V634 VanDerWaalsContact O-CG1 3.29Å; R447-V634 WeakPolarHBondContact O-CG1 3.36Å; R447-V634 WeakPolarHBondContact O-CG2 3.44Å
448	Q	85.9	Confident	80.8	Confident	23 Å²	23	45.4 Å²	45.4	11%	0.107	24%	0.238	C	C	.	.	S	Bend	trans	-68.1	148.4	176	-71.7	-173.8	-0.7	0	0	111.9	L443 P444 L445 S455 Q457 R633	L443-Q448 HydrophobicContact CB-CG 3.95Å; L443-Q448 PolarHBondContact O-NE2 3.27Å; P444-Q448 PolarHBondContact O-N 3.36Å; L445-Q448 PolarHBondContact O-N 3.34Å; Q448-S455 PolarHBondContact NE2-O 2.72Å; Q448-Q457 HydrophobicContact CB-CG 4.48Å; Q448-Q457 HydrophobicContact CG-CB 4.29Å; Q448-Q457 HydrophobicContact CG-CG 4.11Å; Q448-R633 PolarHBondContact O-NH2 2.93Å
449	L	88.8	Confident	81.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.			trans	-81.8	114.1	173	-65.7	170.3	0	0	0	107.7	F451 M452 Q457 L578 F606 F608 E630 I631 V634	L449-F451 VanDerWaalsContact C-N 3.34Å; L449-F451 HydrophobicContact CB-CD1 4.48Å; L449-F451 HydrophobicContact CB-CE1 3.98Å; L449-F451 HydrophobicContact CB-CE2 4.3Å; L449-F451 HydrophobicContact CB-CZ 3.88Å; L449-F451 HydrophobicContact CD1-CZ 4.02Å; L449-F451 HydrophobicContact CD2-CE1 4Å; L449-F451 HydrophobicContact CD2-CZ 4.08Å; L449-F451 HydrophobicContact CG-CE1 4.44Å; L449-F451 HydrophobicContact CG-CZ 4.21Å; L449-F451 PolarHBondContact O-N 3.36Å; L449-M452 HydrophobicContact CB-CG 4.26Å; L449-M452 PolarHBondContact O-N 3.24Å; L449-Q457 PolarHBondContact O-NE2 3.42Å; L449-L578 HydrophobicContact CD1-CD2 4.35Å; L449-F606 HydrophobicContact CD1-CD1 3.9Å; L449-F606 HydrophobicContact CD1-CD2 4.42Å; L449-F606 HydrophobicContact CD1-CE1 3.86Å; L449-F606 HydrophobicContact CD1-CE2 4.41Å; L449-F606 HydrophobicContact CD1-CG 4.18Å; L449-F606 HydrophobicContact CD1-CZ 4.12Å; L449-F606 HydrophobicContact CG-CE1 4.47Å; L449-F608 HydrophobicContact CD1-CE1 4.03Å; L449-F608 HydrophobicContact CD1-CZ 3.75Å; L449-E630 HydrophobicContact CD2-CB 4.48Å; L449-E630 HydrophobicContact CD2-CG 3.96Å; L449-I631 HydrophobicContact CD2-CG1 4.37Å; L449-V634 HydrophobicContact CD2-CB 4.37Å; L449-V634 HydrophobicContact CD2-CG2 3.73Å; L449-V634 HydrophobicContact CG-CG2 4.35Å
450	K	86.5	Confident	82.3	Confident	159 Å²	159	43 Å²	43	69%	0.691	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-66.1	-38.3	-166.5	-66.7	-173.8	176.6	-172.9	0	112.1	M452 H453 E630	K450-M452 PolarHBondContact O-N 3.25Å; K450-M452 VanDerWaalsContact O-N 3.12Å; K450-H453 PolarHBondContact O-CE1 2.71Å; K450-H453 VanDerWaalsContact O-CE1 3.3Å; K450-H453 PolarHBondContact O-N 2.83Å; K450-H453 PolarHBondContact O-ND1 3.15Å; K450-E630 PolarHBondContact N-OE1 3.26Å
451	F	87.4	Confident	81.6	Confident	12 Å²	12	43.3 Å²	43.3	5%	0.053	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-65.2	-10.6	-179.4	57.4	-101.4	0	0	0	115.3	L449 H453 F484 D617 I620 V627 E630 I631	L449-F451 VanDerWaalsContact C-N 3.34Å; L449-F451 HydrophobicContact CB-CD1 4.48Å; L449-F451 HydrophobicContact CB-CE1 3.98Å; L449-F451 HydrophobicContact CB-CE2 4.3Å; L449-F451 HydrophobicContact CB-CZ 3.88Å; L449-F451 HydrophobicContact CD1-CZ 4.02Å; L449-F451 HydrophobicContact CD2-CE1 4Å; L449-F451 HydrophobicContact CD2-CZ 4.08Å; L449-F451 HydrophobicContact CG-CE1 4.44Å; L449-F451 HydrophobicContact CG-CZ 4.21Å; L449-F451 PolarHBondContact O-N 3.36Å; F451-H453 PolarHBondContact O-CD2 3.1Å; F451-F484 HydrophobicContact CE2-CZ 4.38Å; F451-D617 WeakPolarHBondContact O-CB 3.39Å; F451-D617 PolarHBondContact O-N 3.39Å; F451-D617 VanDerWaalsContact O-N 3.11Å; F451-I620 HydrophobicContact CB-CD1 3.56Å; F451-I620 HydrophobicContact CB-CG1 3.92Å; F451-I620 HydrophobicContact CD2-CB 4.47Å; F451-I620 HydrophobicContact CD2-CD1 4.41Å; F451-I620 HydrophobicContact CD2-CG1 4.01Å; F451-I620 HydrophobicContact CD2-CG2 3.86Å; F451-I620 HydrophobicContact CE2-CG2 4.06Å; F451-I620 HydrophobicContact CG-CD1 4.13Å; F451-I620 HydrophobicContact CG-CG1 4.23Å; F451-I620 HydrophobicContact CG-CG2 4.36Å; F451-V627 HydrophobicContact CE1-CG1 4.13Å; F451-V627 HydrophobicContact CZ-CG1 4.05Å; F451-E630 HydrophobicContact CE1-CB 4.3Å; F451-E630 HydrophobicContact CE1-CG 4.4Å; F451-I631 HydrophobicContact CZ-CG1 4.13Å
452	M	90.1	Very high	80.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87.4	-16.7	178.2	-64.7	-55.9	-73.4	0	0	113.3	L449 K450 T454 F484 F529 I576 F608 Y610 G616	L449-M452 HydrophobicContact CB-CG 4.26Å; L449-M452 PolarHBondContact O-N 3.24Å; K450-M452 PolarHBondContact O-N 3.25Å; K450-M452 VanDerWaalsContact O-N 3.12Å; M452-T454 PolarHBondContact O-N 3.49Å; M452-F484 HydrophobicContact CE-CE1 4.05Å; M452-F484 HydrophobicContact SD-CE1 3.96Å; M452-F484 HydrophobicContact SD-CZ 4.21Å; M452-F529 HydrophobicContact CE-CE1 4.44Å; M452-I576 HydrophobicContact CE-CG2 3.91Å; M452-F608 HydrophobicContact CB-CD1 3.93Å; M452-F608 HydrophobicContact CB-CE1 4.1Å; M452-F608 HydrophobicContact CE-CB 4.04Å; M452-F608 HydrophobicContact CE-CD1 4.08Å; M452-F608 HydrophobicContact CE-CD2 3.46Å; M452-F608 VanDerWaalsContact CE-CD2 3.46Å; M452-F608 HydrophobicContact CE-CE1 4.42Å; M452-F608 HydrophobicContact CE-CE2 3.83Å; M452-F608 HydrophobicContact CE-CG 3.58Å; M452-F608 HydrophobicContact CE-CZ 4.29Å; M452-F608 HydrophobicContact CG-CD1 3.83Å; M452-F608 HydrophobicContact CG-CE1 3.6Å; M452-F608 HydrophobicContact CG-CE2 4.4Å; M452-F608 HydrophobicContact CG-CG 4.32Å; M452-F608 HydrophobicContact CG-CZ 3.89Å; M452-Y610 HydrophobicContact CE-CE2 4.44Å; M452-Y610 VanDerWaalsContact CE-OH 3.23Å; M452-Y610 WeakPolarHBondContact CE-OH 3.33Å; M452-Y610 WeakPolarHBondContact O-CE1 3.45Å; M452-Y610 VanDerWaalsContact O-CZ 3.29Å; M452-Y610 PolarHBondContact O-OH 3.11Å; M452-G616 WeakPolarHBondContact O-CA 3.25Å
453	H	86.9	Confident	79.5	Confident	112 Å²	112	38.5 Å²	38.5	52%	0.519	20%	0.204	S	C	.	.			trans	48.2	30.8	174.3	-55.7	-62.1	0	0	0	116.4	K450 F451 D617	K450-H453 PolarHBondContact O-CE1 2.71Å; K450-H453 VanDerWaalsContact O-CE1 3.3Å; K450-H453 PolarHBondContact O-N 2.83Å; K450-H453 PolarHBondContact O-ND1 3.15Å; F451-H453 PolarHBondContact O-CD2 3.1Å; H453-D617 VanDerWaalsContact CD2-CG 3.49Å; H453-D617 IonicContact CD2-OD1 3.58Å; H453-D617 PolarHBondContact CD2-OD1 2.68Å; H453-D617 VanDerWaalsContact CD2-OD1 3.31Å; H453-D617 IonicContact CD2-OD2 3.48Å; H453-D617 IonicContact CE1-OD2 3.38Å; H453-D617 IonicContact NE2-OD1 2.72Å; H453-D617 PolarHBondContact NE2-OD1 3.13Å; H453-D617 IonicContact NE2-OD2 2.64Å; H453-D617 PolarHBondContact NE2-OD2 3.41Å
454	T	87.8	Confident	78.6	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	21%	0.205	C	C	.	.			trans	-127.6	144.6	168.8	175.5	0	0	0	0	109.9	M452 H456 Q457 F608 V609 Y610	M452-T454 PolarHBondContact O-N 3.49Å; T454-H456 VanDerWaalsContact C-N 3.3Å; T454-H456 PolarHBondContact OG1-N 2.97Å; T454-H456 VanDerWaalsContact OG1-N 3.1Å; T454-Q457 HydrophobicContact CG2-CG 4.14Å; T454-Q457 WeakPolarHBondContact O-CG 3.45Å; T454-Q457 PolarHBondContact O-NE2 2.88Å; T454-F608 HydrophobicContact CG2-CB 4.11Å; T454-V609 WeakPolarHBondContact CB-O 3.31Å; T454-V609 PolarHBondContact OG1-O 2.9Å; T454-Y610 HydrophobicContact CG2-CD1 4.28Å; T454-Y610 HydrophobicContact CG2-CE1 3.8Å; T454-Y610 HydrophobicContact CG2-CE2 4.29Å
455	S	84.1	Confident	77.8	Confident	61 Å²	61	36.7 Å²	36.7	43%	0.427	19%	0.193	S	C	.	.	S	Bend	trans	-77	-18.8	172	53.5	0	0	0	0	112.6	K442 Q448 Q457	K442-S455 WeakPolarHBondContact CE-O 3.41Å; Q448-S455 PolarHBondContact NE2-O 2.72Å; S455-Q457 VanDerWaalsContact C-N 3.31Å; S455-Q457 PolarHBondContact O-N 2.91Å; S455-Q457 VanDerWaalsContact O-N 3.17Å
456	H	89.2	Confident	77	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.056	17%	0.165	C	C	.	.			trans	-90.9	62.4	-178.1	-57.5	-55.3	0	0	0	110.9	T454 F458 F567 V609 E611	T454-H456 VanDerWaalsContact C-N 3.3Å; T454-H456 PolarHBondContact OG1-N 2.97Å; T454-H456 VanDerWaalsContact OG1-N 3.1Å; H456-F458 HydrophobicContact CB-CE2 4.01Å; H456-F458 WeakPolarHBondContact O-CE2 3.44Å; H456-F567 PolarHBondContact CE1-O 2.6Å; H456-V609 HydrophobicContact CB-CB 3.83Å; H456-V609 PolarHBondContact O-N 2.84Å; H456-E611 IonicContact CD2-OE2 3.47Å; H456-E611 IonicContact CE1-OE2 3.98Å; H456-E611 IonicContact NE2-OE2 3.64Å; H456-E611 PolarHBondContact NE2-OE2 2.92Å
457	Q	90.1	Very high	76.7	Confident	3 Å²	3	26.9 Å²	26.9	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	176.1	-42.8	-163.7	9	0	0	110.3	L443 Q448 L449 T454 S455 F608	L443-Q457 HydrophobicContact CB-CB 4.32Å; L443-Q457 HydrophobicContact CD1-CB 3.99Å; L443-Q457 PolarHBondContact N-O 3.18Å; Q448-Q457 HydrophobicContact CB-CG 4.48Å; Q448-Q457 HydrophobicContact CG-CB 4.29Å; Q448-Q457 HydrophobicContact CG-CG 4.11Å; L449-Q457 PolarHBondContact O-NE2 3.42Å; T454-Q457 HydrophobicContact CG2-CG 4.14Å; T454-Q457 WeakPolarHBondContact O-CG 3.45Å; T454-Q457 PolarHBondContact O-NE2 2.88Å; S455-Q457 VanDerWaalsContact C-N 3.31Å; S455-Q457 PolarHBondContact O-N 2.91Å; S455-Q457 VanDerWaalsContact O-N 3.17Å; Q457-F608 HydrophobicContact CB-CD1 3.96Å; Q457-F608 HydrophobicContact CB-CE1 4.19Å; Q457-F608 HydrophobicContact CG-CD1 3.89Å; Q457-F608 HydrophobicContact CG-CE1 4.29Å
458	F	87.6	Confident	76.4	Confident	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140	-179.1	-52.7	-94.3	0	0	0	110.7	V345 L348 I440 V441 K442 H456 L460 F606 F607 V609	V345-F458 HydrophobicContact CG2-CD1 3.93Å; V345-F458 HydrophobicContact CG2-CE1 3.86Å; L348-F458 HydrophobicContact CD2-CD2 4.04Å; L348-F458 HydrophobicContact CD2-CE1 4.39Å; L348-F458 HydrophobicContact CD2-CE2 3.72Å; L348-F458 HydrophobicContact CD2-CZ 3.92Å; I440-F458 HydrophobicContact CG2-CB 3.69Å; I440-F458 HydrophobicContact CG2-CD1 3.77Å; I440-F458 HydrophobicContact CG2-CG 3.95Å; V441-F458 CarbonylContact O-C 3.58Å; V441-F458 WeakPolarHBondContact O-CA 3.31Å; K442-F458 HydrophobicContact CB-CD1 3.86Å; K442-F458 HydrophobicContact CB-CE1 3.91Å; K442-F458 HydrophobicContact CG-CD1 4.28Å; K442-F458 HydrophobicContact CG-CE1 4.14Å; H456-F458 HydrophobicContact CB-CE2 4.01Å; H456-F458 WeakPolarHBondContact O-CE2 3.44Å; F458-L460 HydrophobicContact CB-CD1 4.46Å; F458-F606 CarbonylContact O-C 3.5Å; F458-F606 VanDerWaalsContact O-CA 3.31Å; F458-F606 WeakPolarHBondContact O-CA 3.49Å; F458-F607 HydrophobicContact CB-CB 4.41Å; F458-F607 HydrophobicContact CD2-CD1 4.35Å; F458-F607 PolarHBondContact N-O 3.2Å; F458-F607 PolarHBondContact O-N 3.31Å; F458-V609 HydrophobicContact CD2-CG2 4.34Å; F458-V609 HydrophobicContact CE2-CG2 3.86Å
459	L	82.2	Confident	75.6	Confident	9 Å²	9	24.3 Å²	24.3	5%	0.047	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.3	170.8	-172.2	65.2	0	0	0	108	V441 L443 L461 R605 F606 Q638	V441-L459 PolarHBondContact N-O 2.99Å; V441-L459 PolarHBondContact O-N 3.46Å; L443-L459 HydrophobicContact CD2-CB 3.91Å; L443-L459 HydrophobicContact CD2-CD2 4.22Å; L443-L459 HydrophobicContact CG-CB 4.21Å; L459-L461 HydrophobicContact CD2-CD2 3.44Å; L459-L461 VanDerWaalsContact CD2-CD2 3.44Å; L459-L461 HydrophobicContact CD2-CG 4.25Å; L459-L461 HydrophobicContact CG-CD2 3.73Å; L459-L461 HydrophobicContact CG-CG 4.2Å; L459-R605 WeakPolarHBondContact CD1-O 3.37Å; L459-F606 HydrophobicContact CD1-CD1 3.91Å; L459-F606 HydrophobicContact CD1-CE1 3.6Å; L459-F606 HydrophobicContact CD1-CE2 4.44Å; L459-F606 HydrophobicContact CD1-CG 4.47Å; L459-F606 HydrophobicContact CD1-CZ 3.9Å; L459-Q638 VanDerWaalsContact CD2-OE1 3.28Å
460	L	81.4	Confident	75.1	Confident	5 Å²	5	28 Å²	28	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	96.4	174.4	-88.4	64.2	0	0	0	107.3	I440 F458 S462 L496 T604 R605 F607	I440-L460 HydrophobicContact CG1-CD1 3.92Å; I440-L460 HydrophobicContact CG1-CG 3.97Å; I440-L460 HydrophobicContact CG2-CD1 4.29Å; F458-L460 HydrophobicContact CB-CD1 4.46Å; L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.34Å; L460-L496 HydrophobicContact CD2-CD2 3.79Å; L460-T604 HydrophobicContact CD2-CG2 3.59Å; L460-R605 PolarHBondContact N-O 3.19Å; L460-F607 HydrophobicContact CD1-CB 3.54Å
461	L	61.3	Low	75	Confident	15 Å²	15	20.5 Å²	20.5	8%	0.079	11%	0.112	C	C	.	.			trans	-74.7	-15.6	-171.6	-70.7	174.6	0	0	0	113.6	H439 V441 L459 Q638	H439-L461 HydrophobicContact CB-CB 4.37Å; H439-L461 PolarHBondContact O-N 2.77Å; V441-L461 HydrophobicContact CB-CD1 4.16Å; V441-L461 HydrophobicContact CG2-CD1 3.59Å; V441-L461 HydrophobicContact CG2-CG 4.48Å; L459-L461 HydrophobicContact CD2-CD2 3.44Å; L459-L461 VanDerWaalsContact CD2-CD2 3.44Å; L459-L461 HydrophobicContact CD2-CG 4.25Å; L459-L461 HydrophobicContact CG-CD2 3.73Å; L459-L461 HydrophobicContact CG-CG 4.2Å; L461-Q638 VanDerWaalsContact CD2-NE2 3.31Å; L461-Q638 VanDerWaalsContact CD2-OE1 3.28Å
462	S	54.6	Low	74.7	Confident	4 Å²	4	23.2 Å²	23.2	3%	0.028	12%	0.122	C	C	.	.			trans	-153	127.4	177.8	-42.1	0	0	0	0	112.4	L312 L460	L312-S462 VanDerWaalsContact CD2-OG 3.24Å; L312-S462 WeakPolarHBondContact CD2-OG 3.44Å; L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.34Å
463	S	52.7	Low	74.4	Confident	12 Å²	12	26.8 Å²	26.8	8%	0.084	14%	0.144	C	C	.	.	S	Bend	trans	-66.7	165.4	141.5	-76.8	0	0	0	0	109.3	C603	S463-C603 PolarHBondContact OG-SG 2.92Å
464	P	53.6	Low	74.4	Confident	8 Å²	8	22 Å²	22	5%	0.052	12%	0.123	C	C	.	.			trans	-36.6	125.4	163.4	-38.3	41.2	0	0	0	113	S310 A466 K467 E468	S310-P464 WeakPolarHBondContact O-CA 3.44Å; S310-P464 WeakPolarHBondContact O-CB 3.43Å; P464-A466 VanDerWaalsContact C-N 3.27Å; P464-A466 PolarHBondContact O-N 3.15Å; P464-A466 VanDerWaalsContact O-N 3.1Å; P464-K467 HydrophobicContact CB-CB 4.01Å; P464-K467 CarbonylContact O-C 3.58Å; P464-K467 VanDerWaalsContact O-CA 3.32Å; P464-K467 WeakPolarHBondContact O-CA 3.36Å; P464-K467 WeakPolarHBondContact O-CB 3.21Å; P464-K467 PolarHBondContact O-N 2.87Å; P464-E468 PolarHBondContact O-N 3Å
465	P	54	Low	74.4	Confident	27 Å²	27	25.3 Å²	25.3	18%	0.175	14%	0.137	C	C	.	.	H	α-helix	trans	-48.1	-39.9	-176.2	-37.3	40.5	0	0	0	115.9	V87 N294 S310 M311 L312 K467 E468 A469	V87-P465 HydrophobicContact CG2-CG 4.45Å; N294-P465 WeakPolarHBondContact ND2-CG 3.29Å; S310-P465 WeakPolarHBondContact O-CD 3.4Å; S310-P465 VanDerWaalsContact OG-CD 3.24Å; S310-P465 WeakPolarHBondContact OG-CD 3.46Å; M311-P465 WeakPolarHBondContact O-CD 3.1Å; L312-P465 HydrophobicContact CD1-CG 3.67Å; P465-K467 PolarHBondContact O-N 3.09Å; P465-E468 PolarHBondContact O-N 2.92Å; P465-A469 VanDerWaalsContact O-CB 3.3Å; P465-A469 WeakPolarHBondContact O-CB 3.33Å; P465-A469 PolarHBondContact O-N 2.83Å
466	A	58.8	Low	74.6	Confident	21 Å²	21	31 Å²	31	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-34.6	173.4	0	0	0	0	0	113.4	S310 P464 R470	S310-A466 PolarHBondContact OG-N 2.64Å; P464-A466 VanDerWaalsContact C-N 3.27Å; P464-A466 PolarHBondContact O-N 3.15Å; P464-A466 VanDerWaalsContact O-N 3.1Å; A466-R470 WeakPolarHBondContact O-CG 3.46Å; A466-R470 PolarHBondContact O-N 2.98Å; A466-R470 PolarHBondContact O-NH1 3Å; A466-R470 VanDerWaalsContact O-NH1 3.07Å
467	K	69.1	Low	74.7	Confident	11 Å²	11	36.2 Å²	36.2	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-43.1	173.4	-174.4	178.3	-170.4	-165.3	0	111.1	P464 P465 R470 F471 S599 D600 V602	P464-K467 HydrophobicContact CB-CB 4.01Å; P464-K467 CarbonylContact O-C 3.58Å; P464-K467 VanDerWaalsContact O-CA 3.32Å; P464-K467 WeakPolarHBondContact O-CA 3.36Å; P464-K467 WeakPolarHBondContact O-CB 3.21Å; P464-K467 PolarHBondContact O-N 2.87Å; P465-K467 PolarHBondContact O-N 3.09Å; K467-R470 PolarHBondContact O-N 3.39Å; K467-F471 WeakPolarHBondContact O-CB 3.48Å; K467-F471 PolarHBondContact O-N 3.11Å; K467-S599 WeakPolarHBondContact CE-O 3.42Å; K467-S599 PolarHBondContact NZ-O 2.81Å; K467-D600 WeakPolarHBondContact CE-OD1 3.48Å; K467-D600 WeakPolarHBondContact CG-OD1 3.4Å; K467-V602 PolarHBondContact NZ-O 3Å; K467-V602 VanDerWaalsContact NZ-O 3.1Å
468	E	73.3	Confident	74.9	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-42.1	176.4	-175.8	62.1	-137.9	0	0	111.2	P464 P465 F471 R472 R605	P464-E468 PolarHBondContact O-N 3Å; P465-E468 PolarHBondContact O-N 2.92Å; E468-F471 PolarHBondContact O-N 3.19Å; E468-R472 HydrophobicContact CG-CG 4.41Å; E468-R472 WeakPolarHBondContact O-CB 3.43Å; E468-R472 WeakPolarHBondContact O-CD 3.49Å; E468-R472 WeakPolarHBondContact O-CG 3.48Å; E468-R472 PolarHBondContact O-N 2.69Å; E468-R472 WeakPolarHBondContact OE1-CG 3.42Å; E468-R472 IonicContact OE1-NE 3.67Å; E468-R472 PolarHBondContact OE1-NE 3.03Å; E468-R472 VanDerWaalsContact OE1-NE 3.12Å; E468-R605 VanDerWaalsContact CD-NH1 3.34Å; E468-R605 IonicContact OE1-CZ 3.75Å; E468-R605 IonicContact OE1-NH1 3.9Å; E468-R605 PolarHBondContact OE1-NH1 2.88Å; E468-R605 IonicContact OE1-NH2 3.86Å; E468-R605 PolarHBondContact OE1-NH2 3.02Å; E468-R605 IonicContact OE2-CZ 3.57Å; E468-R605 IonicContact OE2-NH1 3.81Å; E468-R605 PolarHBondContact OE2-NH1 2.82Å; E468-R605 IonicContact OE2-NH2 3.04Å; E468-R605 PolarHBondContact OE2-NH2 3.38Å
469	A	68.4	Low	75.2	Confident	21 Å²	21	43.1 Å²	43.1	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-46.9	174.1	0	0	0	0	0	112	F260 P465 F471 R472 T473	F260-A469 HydrophobicContact CD1-CB 4.2Å; P465-A469 VanDerWaalsContact O-CB 3.3Å; P465-A469 WeakPolarHBondContact O-CB 3.33Å; P465-A469 PolarHBondContact O-N 2.83Å; A469-F471 PolarHBondContact O-N 3.1Å; A469-R472 PolarHBondContact O-N 3.38Å; A469-T473 PolarHBondContact O-N 3.29Å; A469-T473 PolarHBondContact O-OG1 3.49Å
470	R	78.2	Confident	75.8	Confident	78 Å²	78	44.5 Å²	44.5	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-43.1	174.6	-70.6	-169.8	-52.6	-90.1	10	112.1	A466 K467 T473 A474 D600	A466-R470 WeakPolarHBondContact O-CG 3.46Å; A466-R470 PolarHBondContact O-N 2.98Å; A466-R470 PolarHBondContact O-NH1 3Å; A466-R470 VanDerWaalsContact O-NH1 3.07Å; K467-R470 PolarHBondContact O-N 3.39Å; R470-T473 PolarHBondContact O-N 2.93Å; R470-A474 WeakPolarHBondContact O-CB 3.29Å; R470-A474 PolarHBondContact O-N 3.28Å; R470-D600 IonicContact CZ-OD2 2.67Å; R470-D600 IonicContact NE-OD2 2.79Å; R470-D600 PolarHBondContact NE-OD2 2.9Å; R470-D600 IonicContact NH2-OD1 2.63Å; R470-D600 PolarHBondContact NH2-OD1 3.44Å; R470-D600 IonicContact NH2-OD2 3.84Å; R470-D600 PolarHBondContact NH2-OD2 2.89Å
471	F	83.4	Confident	76.4	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-45.4	175.1	-175.6	-84.9	0	0	0	111.6	K467 E468 A469 A474 K475 E580 I582 D600 C603	K467-F471 WeakPolarHBondContact O-CB 3.48Å; K467-F471 PolarHBondContact O-N 3.11Å; E468-F471 PolarHBondContact O-N 3.19Å; A469-F471 PolarHBondContact O-N 3.1Å; F471-A474 PolarHBondContact O-N 2.83Å; F471-K475 HydrophobicContact CE1-CD 4.32Å; F471-K475 VanDerWaalsContact O-CB 3.3Å; F471-K475 WeakPolarHBondContact O-CB 3.46Å; F471-K475 PolarHBondContact O-N 3.4Å; F471-E580 HydrophobicContact CE1-CB 4.32Å; F471-E580 HydrophobicContact CE1-CG 4.08Å; F471-E580 WeakPolarHBondContact CE1-OE2 3.45Å; F471-E580 WeakPolarHBondContact CE2-O 3.33Å; F471-E580 HydrophobicContact CZ-CB 3.75Å; F471-E580 HydrophobicContact CZ-CG 3.7Å; F471-I582 HydrophobicContact CD1-CD1 4.14Å; F471-I582 HydrophobicContact CD2-CD1 3.82Å; F471-I582 HydrophobicContact CD2-CG1 3.88Å; F471-I582 HydrophobicContact CE1-CD1 3.83Å; F471-I582 HydrophobicContact CE2-CD1 3.51Å; F471-I582 HydrophobicContact CE2-CG1 3.67Å; F471-I582 HydrophobicContact CG-CD1 4.11Å; F471-I582 HydrophobicContact CZ-CD1 3.49Å; F471-I582 VanDerWaalsContact CZ-CD1 3.49Å; F471-I582 HydrophobicContact CZ-CG1 4.16Å; F471-D600 WeakPolarHBondContact CD2-O 3.34Å; F471-C603 HydrophobicContact CD1-CB 4.44Å; F471-C603 HydrophobicContact CD2-CB 3.84Å; F471-C603 HydrophobicContact CE1-CB 4.43Å; F471-C603 HydrophobicContact CE2-CB 3.8Å; F471-C603 HydrophobicContact CG-CB 4.18Å; F471-C603 HydrophobicContact CZ-CB 4.13Å
472	R	82.4	Confident	78.1	Confident	68 Å²	68	44.5 Å²	44.5	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-39.6	178.3	-72.9	165.4	170	-139.3	5.8	112.5	D84 E86 E468 A469 K475 K476	D84-R472 IonicContact OD1-CZ 3.29Å; D84-R472 IonicContact OD1-NH1 3.72Å; D84-R472 PolarHBondContact OD1-NH1 3.04Å; D84-R472 IonicContact OD1-NH2 2.76Å; D84-R472 IonicContact OD2-CZ 3.47Å; D84-R472 IonicContact OD2-NH1 3.49Å; D84-R472 PolarHBondContact OD2-NH1 2.89Å; D84-R472 IonicContact OD2-NH2 3.6Å; E86-R472 IonicContact OE2-CZ 2.73Å; E86-R472 IonicContact OE2-NH2 2.73Å; E86-R472 PolarHBondContact OE2-NH2 3.42Å; E468-R472 HydrophobicContact CG-CG 4.41Å; E468-R472 WeakPolarHBondContact O-CB 3.43Å; E468-R472 WeakPolarHBondContact O-CD 3.49Å; E468-R472 WeakPolarHBondContact O-CG 3.48Å; E468-R472 PolarHBondContact O-N 2.69Å; E468-R472 WeakPolarHBondContact OE1-CG 3.42Å; E468-R472 IonicContact OE1-NE 3.67Å; E468-R472 PolarHBondContact OE1-NE 3.03Å; E468-R472 VanDerWaalsContact OE1-NE 3.12Å; A469-R472 PolarHBondContact O-N 3.38Å; R472-K475 PolarHBondContact O-N 3.49Å; R472-K476 WeakPolarHBondContact O-CG 3.49Å; R472-K476 PolarHBondContact O-N 3Å
473	T	82.9	Confident	80.1	Confident	76 Å²	76	44.3 Å²	44.3	47%	0.466	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-47.1	172.3	-64.7	0	0	0	0	111.1	A469 R470 K475 K476 L477	A469-T473 PolarHBondContact O-N 3.29Å; A469-T473 PolarHBondContact O-OG1 3.49Å; R470-T473 PolarHBondContact O-N 2.93Å; T473-K475 VanDerWaalsContact C-N 3.32Å; T473-K475 PolarHBondContact O-N 2.84Å; T473-K476 PolarHBondContact O-N 2.98Å; T473-L477 HydrophobicContact CG2-CD1 4.33Å; T473-L477 WeakPolarHBondContact O-CG 3.39Å; T473-L477 PolarHBondContact O-N 3.26Å
474	A	86.9	Confident	82.3	Confident	10 Å²	10	43.8 Å²	43.8	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-37.2	176	0	0	0	0	0	112.5	R470 F471 L477 Y478 I582	R470-A474 WeakPolarHBondContact O-CB 3.29Å; R470-A474 PolarHBondContact O-N 3.28Å; F471-A474 PolarHBondContact O-N 2.83Å; A474-L477 PolarHBondContact O-N 3.2Å; A474-Y478 HydrophobicContact CB-CD2 4.35Å; A474-Y478 WeakPolarHBondContact O-CD2 3.42Å; A474-Y478 PolarHBondContact O-N 2.86Å; A474-I582 HydrophobicContact CB-CD1 4.16Å; A474-I582 HydrophobicContact CB-CG1 3.97Å; A474-I582 HydrophobicContact CB-CG2 4.04Å
475	K	88.9	Confident	84.3	Confident	78 Å²	78	44.8 Å²	44.8	34%	0.339	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-40.1	175.5	178.1	175.6	177.8	170.4	0	112.4	F471 R472 T473 L477 G479 S480 E580 I582	F471-K475 HydrophobicContact CE1-CD 4.32Å; F471-K475 VanDerWaalsContact O-CB 3.3Å; F471-K475 WeakPolarHBondContact O-CB 3.46Å; F471-K475 PolarHBondContact O-N 3.4Å; R472-K475 PolarHBondContact O-N 3.49Å; T473-K475 VanDerWaalsContact C-N 3.32Å; T473-K475 PolarHBondContact O-N 2.84Å; K475-L477 VanDerWaalsContact C-N 3.27Å; K475-L477 PolarHBondContact O-N 2.63Å; K475-G479 VanDerWaalsContact O-CA 3.24Å; K475-G479 WeakPolarHBondContact O-CA 3.23Å; K475-G479 PolarHBondContact O-N 3.07Å; K475-S480 VanDerWaalsContact CE-OG 3.31Å; K475-S480 WeakPolarHBondContact CE-OG 3.41Å; K475-E580 WeakPolarHBondContact CD-OE1 3.11Å; K475-E580 WeakPolarHBondContact CE-OE1 3.43Å; K475-E580 IonicContact NZ-OE1 3.31Å; K475-E580 PolarHBondContact NZ-OE1 3.15Å; K475-E580 IonicContact NZ-OE2 2.99Å; K475-I582 HydrophobicContact CB-CD1 3.78Å
476	K	88.1	Confident	86.3	Confident	181 Å²	181	44 Å²	44	79%	0.787	22%	0.224	S	C	*	.	H	α-helix	trans	-63.9	-32.5	174.3	-72.5	172	-177.7	175.5	0	112.4	R472 T473	R472-K476 WeakPolarHBondContact O-CG 3.49Å; R472-K476 PolarHBondContact O-N 3Å; T473-K476 PolarHBondContact O-N 2.98Å
477	L	91.1	Very high	88	Confident	120 Å²	120	43.7 Å²	43.7	63%	0.628	22%	0.22	S	C	*	.	H	α-helix	trans	-85.1	-41.1	-177.8	-67.6	170.8	0	0	0	113.8	T473 A474 K475	T473-L477 HydrophobicContact CG2-CD1 4.33Å; T473-L477 WeakPolarHBondContact O-CG 3.39Å; T473-L477 PolarHBondContact O-N 3.26Å; A474-L477 PolarHBondContact O-N 3.2Å; K475-L477 VanDerWaalsContact C-N 3.27Å; K475-L477 PolarHBondContact O-N 2.63Å
478	Y	93.8	Very high	89.1	Confident	120 Å²	120	45.7 Å²	45.7	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-120.5	-5.5	-168.1	-53.1	-62.7	0	0	0	114.5	A474 I582 T583	A474-Y478 HydrophobicContact CB-CD2 4.35Å; A474-Y478 WeakPolarHBondContact O-CD2 3.42Å; A474-Y478 PolarHBondContact O-N 2.86Å; Y478-I582 HydrophobicContact CD2-CG2 3.9Å; Y478-I582 HydrophobicContact CG-CG2 4.28Å; Y478-T583 PolarHBondContact O-OG1 2.72Å
479	G	93.2	Very high	90.1	Very high	30 Å²	30	46.4 Å²	46.4	31%	0.309	23%	0.234	S	C	.	.			trans	73.1	-179.7	-168.6	0	0	0	0	0	113.5	K475 T583	K475-G479 VanDerWaalsContact O-CA 3.24Å; K475-G479 WeakPolarHBondContact O-CA 3.23Å; K475-G479 PolarHBondContact O-N 3.07Å; G479-T583 PolarHBondContact O-N 3.25Å; G479-T583 VanDerWaalsContact O-N 3.14Å; G479-T583 PolarHBondContact O-OG1 3.38Å
480	S	94.8	Very high	91.3	Very high	38 Å²	38	47.1 Å²	47.1	27%	0.266	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.3	174.7	61.4	0	0	0	0	112	K475 E580 V581 T583	K475-S480 VanDerWaalsContact CE-OG 3.31Å; K475-S480 WeakPolarHBondContact CE-OG 3.41Å; S480-E580 WeakPolarHBondContact CB-OE1 3.38Å; S480-E580 PolarHBondContact OG-OE1 2.9Å; S480-V581 CarbonylContact C-O 3.58Å; S480-V581 VanDerWaalsContact CA-O 3.22Å; S480-V581 WeakPolarHBondContact CA-O 3.34Å; S480-V581 WeakPolarHBondContact CB-O 3.19Å; S480-T583 PolarHBondContact N-OG1 2.88Å
481	T	95.8	Very high	92.1	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	172.3	172	-173.5	0	0	0	0	109.5	E580 V581 T583 W594 Q623	T481-E580 WeakPolarHBondContact O-CA 3.41Å; T481-V581 PolarHBondContact N-O 3.19Å; T481-V581 PolarHBondContact O-N 3.43Å; T481-T583 HydrophobicContact CG2-CG2 3.68Å; T481-W594 HydrophobicContact CG2-CH2 3.91Å; T481-W594 HydrophobicContact CG2-CZ3 3.6Å; T481-Q623 PolarHBondContact OG1-NE2 2.87Å; T481-Q623 PolarHBondContact OG1-OE1 2.93Å
482	F	96.4	Very high	92.5	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.044	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.7	176.9	-65.1	-80.2	0	0	0	112.1	L578 C579 E580 R605 T622 Q623 I631 M632 I635	F482-L578 HydrophobicContact CB-CD1 4.03Å; F482-L578 HydrophobicContact CD1-CG 4.47Å; F482-C579 CarbonylContact C-O 3.59Å; F482-C579 VanDerWaalsContact CA-O 3.29Å; F482-C579 WeakPolarHBondContact CA-O 3.23Å; F482-E580 HydrophobicContact CD1-CB 4.13Å; F482-E580 HydrophobicContact CD1-CG 4.28Å; F482-E580 HydrophobicContact CE1-CB 3.8Å; F482-E580 HydrophobicContact CE1-CG 3.79Å; F482-E580 HydrophobicContact CZ-CG 4.1Å; F482-R605 HydrophobicContact CE1-CG 4.37Å; F482-T622 HydrophobicContact CB-CG2 4.38Å; F482-T622 VanDerWaalsContact O-CB 3.25Å; F482-T622 WeakPolarHBondContact O-CB 3.22Å; F482-T622 PolarHBondContact O-OG1 2.98Å; F482-Q623 PolarHBondContact O-NE2 2.84Å; F482-Q623 VanDerWaalsContact O-NE2 3.11Å; F482-I631 HydrophobicContact CB-CD1 4.24Å; F482-I631 HydrophobicContact CD1-CG2 3.94Å; F482-I631 HydrophobicContact CD2-CD1 4.37Å; F482-I631 HydrophobicContact CD2-CG2 3.93Å; F482-I631 HydrophobicContact CE1-CG2 3.75Å; F482-I631 HydrophobicContact CE2-CG2 3.74Å; F482-I631 HydrophobicContact CG-CD1 4.25Å; F482-I631 HydrophobicContact CG-CG2 4.03Å; F482-I631 HydrophobicContact CZ-CG2 3.66Å; F482-M632 HydrophobicContact CE2-CG 4.22Å; F482-M632 HydrophobicContact CE2-SD 3.69Å; F482-M632 HydrophobicContact CZ-SD 3.84Å; F482-I635 HydrophobicContact CE1-CD1 3.73Å; F482-I635 HydrophobicContact CZ-CD1 3.57Å
483	A	97.4	Very high	92.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.7	171.1	0	0	0	0	0	110.7	L521 S522 C579 V581 W594	A483-L521 HydrophobicContact CB-CB 4.03Å; A483-L521 HydrophobicContact CB-CD2 4.18Å; A483-S522 CarbonylContact C-O 3.52Å; A483-C579 PolarHBondContact N-O 3.48Å; A483-C579 PolarHBondContact O-N 3.44Å; A483-V581 HydrophobicContact CB-CG2 4.18Å; A483-W594 HydrophobicContact CB-CE3 3.91Å; A483-W594 HydrophobicContact CB-CZ3 3.88Å
484	F	97.6	Very high	93.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.3	175.8	-65.4	-77	0	0	0	112	F451 M452 L521 S522 S528 I576 A577 L578 I620 T622	F451-F484 HydrophobicContact CE2-CZ 4.38Å; M452-F484 HydrophobicContact CE-CE1 4.05Å; M452-F484 HydrophobicContact SD-CE1 3.96Å; M452-F484 HydrophobicContact SD-CZ 4.21Å; F484-L521 WeakPolarHBondContact O-CA 3.36Å; F484-S522 PolarHBondContact N-O 2.99Å; F484-S522 PolarHBondContact O-N 2.85Å; F484-S528 VanDerWaalsContact CB-OG 3.25Å; F484-S528 WeakPolarHBondContact CB-OG 3.35Å; F484-S528 PolarHBondContact O-OG 3.11Å; F484-I576 HydrophobicContact CB-CD1 4.21Å; F484-I576 HydrophobicContact CD1-CD1 3.97Å; F484-I576 HydrophobicContact CD1-CG1 4.35Å; F484-I576 HydrophobicContact CG-CD1 4.32Å; F484-A577 CarbonylContact C-O 3.53Å; F484-A577 VanDerWaalsContact CA-O 3.31Å; F484-A577 WeakPolarHBondContact CA-O 3.45Å; F484-L578 HydrophobicContact CD1-CB 4.16Å; F484-L578 HydrophobicContact CD1-CD1 3.91Å; F484-L578 HydrophobicContact CE1-CB 4.19Å; F484-L578 HydrophobicContact CE1-CD1 3.89Å; F484-L578 HydrophobicContact CE1-CG 4.47Å; F484-L578 HydrophobicContact CG-CD1 4.26Å; F484-L578 HydrophobicContact CZ-CD1 4.21Å; F484-I620 HydrophobicContact CE2-CB 4.48Å; F484-I620 HydrophobicContact CE2-CG2 4.11Å; F484-I620 HydrophobicContact CZ-CG2 4.09Å; F484-T622 HydrophobicContact CD2-CG2 3.73Å; F484-T622 HydrophobicContact CE2-CG2 3.44Å; F484-T622 VanDerWaalsContact CE2-CG2 3.44Å; F484-T622 HydrophobicContact CZ-CG2 4.1Å
485	H	96.6	Very high	93.3	Very high	30 Å²	30	39.1 Å²	39.1	14%	0.139	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	167.7	179.6	76.5	0	0	0	109.6	W492 L500 Y520 L521 A577	H485-W492 AromaticContact CD2-CH2 3.91Å; H485-L500 HydrophobicContact CB-CD1 4.15Å; H485-L500 VanDerWaalsContact CD2-CD2 3.41Å; H485-L500 WeakPolarHBondContact CD2-CD2 3.46Å; H485-L500 WeakPolarHBondContact NE2-CD2 3.46Å; H485-Y520 PolarHBondContact ND1-O 3.21Å; H485-L521 HydrophobicContact CB-CD2 3.99Å; H485-A577 HydrophobicContact CB-CB 4.4Å; H485-A577 PolarHBondContact N-O 3.43Å; H485-A577 PolarHBondContact O-N 2.83Å
486	G	94.9	Very high	93	Very high	10 Å²	10	35.5 Å²	35.5	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.8	178.2	0	0	0	0	0	111.8	S528 S532	G486-S528 WeakPolarHBondContact CA-O 3.13Å; G486-S532 VanDerWaalsContact CA-OG 3.22Å; G486-S532 WeakPolarHBondContact CA-OG 3.49Å
487	S	94.3	Very high	92.6	Very high	14 Å²	14	27.1 Å²	27.1	10%	0.098	15%	0.147	C	C	.	.			trans	-157.3	144.3	174	163.6	0	0	0	0	109.8	N491 W492 Y531 S532	S487-N491 WeakPolarHBondContact OG-CB 3.46Å; S487-N491 PolarHBondContact OG-ND2 3.03Å; S487-N491 VanDerWaalsContact OG-ND2 3.07Å; S487-W492 PolarHBondContact O-NE1 3.07Å; S487-Y531 CarbonylContact C-O 3.53Å; S487-Y531 WeakPolarHBondContact CA-O 3.43Å; S487-S532 PolarHBondContact N-OG 3.48Å
488	H	93.6	Very high	91.9	Very high	53 Å²	53	23.7 Å²	23.7	25%	0.245	13%	0.13	C	C	.	.			trans	-56.1	149.7	169.8	-65.5	-95	0	0	0	112.6	E490 N491 W492 Y531	H488-E490 VanDerWaalsContact C-N 3.3Å; H488-E490 VanDerWaalsContact CB-CD 3.48Å; H488-E490 VanDerWaalsContact CB-OE1 3.26Å; H488-E490 WeakPolarHBondContact CB-OE1 3.39Å; H488-E490 WeakPolarHBondContact CB-OE2 3.25Å; H488-E490 IonicContact CG-OE1 3.54Å; H488-E490 PolarHBondContact O-N 3.01Å; H488-N491 PolarHBondContact O-N 3.29Å; H488-N491 PolarHBondContact O-ND2 3.28Å; H488-W492 PolarHBondContact O-NE1 3.07Å; H488-Y531 PolarHBondContact N-O 2.98Å
489	I	93.5	Very high	91.3	Very high	26 Å²	26	18.8 Å²	18.8	13%	0.133	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-56.8	-38.9	-170.1	-179.8	163.4	0	0	0	113	M352 A355 N491 W492 L573	M352-I489 HydrophobicContact CG-CG1 4.29Å; A355-I489 HydrophobicContact CB-CB 4.38Å; A355-I489 HydrophobicContact CB-CD1 4.32Å; A355-I489 HydrophobicContact CB-CG1 3.89Å; A355-I489 HydrophobicContact CB-CG2 3.82Å; I489-N491 PolarHBondContact O-N 3.5Å; I489-N491 VanDerWaalsContact O-N 3.12Å; I489-W492 PolarHBondContact O-N 3.41Å; I489-L573 HydrophobicContact CD1-CB 3.56Å; I489-L573 HydrophobicContact CD1-CD1 3.96Å; I489-L573 HydrophobicContact CD1-CG 4.39Å
490	E	93.9	Very high	91	Very high	35 Å²	35	17.8 Å²	17.8	16%	0.164	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.7	-174.7	69.7	-83	-174.8	0	0	114.3	A355 A356 I365 H488	A355-E490 HydrophobicContact CB-CB 4.31Å; A355-E490 WeakPolarHBondContact O-CB 3.38Å; A356-E490 WeakPolarHBondContact CB-O 3.43Å; I365-E490 HydrophobicContact CD1-CB 3.71Å; I365-E490 HydrophobicContact CD1-CG 3.34Å; H488-E490 VanDerWaalsContact C-N 3.3Å; H488-E490 VanDerWaalsContact CB-CD 3.48Å; H488-E490 VanDerWaalsContact CB-OE1 3.26Å; H488-E490 WeakPolarHBondContact CB-OE1 3.39Å; H488-E490 WeakPolarHBondContact CB-OE2 3.25Å; H488-E490 IonicContact CG-OE1 3.54Å; H488-E490 PolarHBondContact O-N 3.01Å
491	N	94.3	Very high	90.7	Very high	22 Å²	22	18.8 Å²	18.8	12%	0.118	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-81.6	-19.9	177.8	-49.6	-67.7	0	0	0	112.3	R361 S487 H488 I489 H493 S494 V495	R361-N491 PolarHBondContact NH1-OD1 3.06Å; S487-N491 WeakPolarHBondContact OG-CB 3.46Å; S487-N491 PolarHBondContact OG-ND2 3.03Å; S487-N491 VanDerWaalsContact OG-ND2 3.07Å; H488-N491 PolarHBondContact O-N 3.29Å; H488-N491 PolarHBondContact O-ND2 3.28Å; I489-N491 PolarHBondContact O-N 3.5Å; I489-N491 VanDerWaalsContact O-N 3.12Å; N491-H493 VanDerWaalsContact C-N 3.33Å; N491-H493 PolarHBondContact O-N 3.29Å; N491-S494 PolarHBondContact O-N 2.6Å; N491-S494 VanDerWaalsContact O-N 3.1Å; N491-V495 PolarHBondContact O-N 3.18Å; N491-V495 VanDerWaalsContact O-N 3.11Å
492	W	92.3	Very high	90.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-72.7	-22.3	-171	-68.8	93.8	0	0	0	114.2	M352 H485 S487 H488 I489 S494 V495 L496 C575 A577 F607	M352-W492 HydrophobicContact CE-CB 3.64Å; M352-W492 HydrophobicContact CE-CG 4.3Å; M352-W492 HydrophobicContact CG-CB 4.21Å; M352-W492 HydrophobicContact SD-CB 3.53Å; M352-W492 VanDerWaalsContact SD-CB 3.53Å; H485-W492 AromaticContact CD2-CH2 3.91Å; S487-W492 PolarHBondContact O-NE1 3.07Å; H488-W492 PolarHBondContact O-NE1 3.07Å; I489-W492 PolarHBondContact O-N 3.41Å; W492-S494 PolarHBondContact O-N 3.46Å; W492-V495 HydrophobicContact CD2-CB 4.48Å; W492-V495 HydrophobicContact CE3-CB 3.8Å; W492-V495 HydrophobicContact CE3-CG1 3.61Å; W492-V495 HydrophobicContact CH2-CG1 4.45Å; W492-V495 HydrophobicContact CZ3-CB 4.2Å; W492-V495 HydrophobicContact CZ3-CG1 3.5Å; W492-V495 PolarHBondContact O-N 3.4Å; W492-L496 WeakPolarHBondContact O-CB 3.25Å; W492-L496 WeakPolarHBondContact O-CG 3.37Å; W492-L496 PolarHBondContact O-N 2.97Å; W492-C575 HydrophobicContact CG-CB 4.38Å; W492-A577 HydrophobicContact CH2-CB 3.45Å; W492-A577 VanDerWaalsContact CH2-CB 3.45Å; W492-A577 HydrophobicContact CZ2-CB 4.39Å; W492-A577 HydrophobicContact CZ3-CB 4.02Å; W492-F607 HydrophobicContact CD2-CD2 4.5Å; W492-F607 AromaticContact CD2-CE2 3.43Å; W492-F607 HydrophobicContact CD2-CE2 3.43Å; W492-F607 VanDerWaalsContact CD2-CE2 3.43Å; W492-F607 AromaticContact CD2-CZ 3.92Å; W492-F607 HydrophobicContact CD2-CZ 3.92Å; W492-F607 AromaticContact CE2-CE2 3.7Å; W492-F607 HydrophobicContact CE3-CD2 4.08Å; W492-F607 AromaticContact CE3-CE2 3.39Å; W492-F607 HydrophobicContact CE3-CE2 3.39Å; W492-F607 HydrophobicContact CE3-CZ 4.18Å; W492-F607 HydrophobicContact CG-CE2 4.07Å; W492-F607 HydrophobicContact CG-CZ 4.06Å; W492-F607 HydrophobicContact CH2-CD2 4.35Å; W492-F607 AromaticContact CH2-CE2 3.95Å; W492-F607 HydrophobicContact CH2-CE2 3.95Å; W492-F607 AromaticContact CZ2-CE2 3.96Å; W492-F607 HydrophobicContact CZ2-CE2 3.96Å; W492-F607 HydrophobicContact CZ3-CD2 4Å; W492-F607 AromaticContact CZ3-CE2 3.67Å; W492-F607 HydrophobicContact CZ3-CE2 3.67Å
493	H	91.4	Very high	90.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-48.5	-46.6	165.4	172.1	73.7	0	0	0	111.6	C353 A356 F366 P368 W431 N491 R497	C353-H493 PolarHBondContact SG-ND1 3.5Å; A356-H493 HydrophobicContact CB-CB 3.67Å; F366-H493 AromaticContact CD1-NE2 3.69Å; F366-H493 AromaticContact CE1-CE1 3.78Å; F366-H493 AromaticContact CE1-NE2 3.53Å; F366-H493 AromaticContact CZ-CE1 3.81Å; F366-H493 AromaticContact CZ-NE2 3.92Å; P368-H493 PolarHBondContact O-NE2 3.25Å; W431-H493 AromaticContact CH2-CE1 3.93Å; N491-H493 VanDerWaalsContact C-N 3.33Å; N491-H493 PolarHBondContact O-N 3.29Å; H493-R497 WeakPolarHBondContact O-CD 3.34Å; H493-R497 WeakPolarHBondContact O-CG 3.42Å; H493-R497 PolarHBondContact O-NH1 2.85Å
494	S	88.8	Confident	90.2	Very high	20 Å²	20	20.6 Å²	20.6	14%	0.14	12%	0.121	C	C	.	.	H	α-helix	trans	-79.8	-44.1	179.8	-158.3	0	0	0	0	112.4	E367 N491 W492 L496 R497 N498	E367-S494 VanDerWaalsContact O-CA 3.29Å; E367-S494 WeakPolarHBondContact O-CA 3.33Å; E367-S494 WeakPolarHBondContact O-CB 3.31Å; E367-S494 PolarHBondContact O-OG 3.29Å; N491-S494 PolarHBondContact O-N 2.6Å; N491-S494 VanDerWaalsContact O-N 3.1Å; W492-S494 PolarHBondContact O-N 3.46Å; S494-L496 VanDerWaalsContact C-N 3.34Å; S494-L496 PolarHBondContact O-N 3.46Å; S494-R497 PolarHBondContact O-N 2.97Å; S494-N498 PolarHBondContact O-N 3.28Å; S494-N498 PolarHBondContact O-ND2 3.37Å; S494-N498 PolarHBondContact OG-ND2 3Å
495	V	87.8	Confident	89.9	Confident	24 Å²	24	28.8 Å²	28.8	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-37.1	-177.2	176.2	0	0	0	0	112.4	N491 W492 R497 G499 L500	N491-V495 PolarHBondContact O-N 3.18Å; N491-V495 VanDerWaalsContact O-N 3.11Å; W492-V495 HydrophobicContact CD2-CB 4.48Å; W492-V495 HydrophobicContact CE3-CB 3.8Å; W492-V495 HydrophobicContact CE3-CG1 3.61Å; W492-V495 HydrophobicContact CH2-CG1 4.45Å; W492-V495 HydrophobicContact CZ3-CB 4.2Å; W492-V495 HydrophobicContact CZ3-CG1 3.5Å; W492-V495 PolarHBondContact O-N 3.4Å; V495-R497 PolarHBondContact O-N 3.36Å; V495-G499 CarbonylContact O-C 3.11Å; V495-G499 WeakPolarHBondContact O-CA 3.08Å; V495-G499 PolarHBondContact O-N 3.12Å; V495-L500 HydrophobicContact CG1-CD2 3.51Å; V495-L500 HydrophobicContact CG1-CG 3.88Å; V495-L500 HydrophobicContact CG2-CD2 4.21Å
496	L	83.6	Confident	89.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-71.1	-12.8	175.8	-67.5	-177.5	0	0	0	114.3	L349 M352 S438 I440 L460 W492 S494	L349-L496 HydrophobicContact CD2-CD1 4.01Å; M352-L496 HydrophobicContact CE-CD1 3.81Å; M352-L496 HydrophobicContact SD-CD1 3.31Å; M352-L496 WeakPolarHBondContact SD-CD1 3.15Å; M352-L496 HydrophobicContact SD-CG 4.19Å; S438-L496 PolarHBondContact OG-O 2.91Å; S438-L496 VanDerWaalsContact OG-O 3.13Å; I440-L496 HydrophobicContact CD1-CD1 3.72Å; I440-L496 HydrophobicContact CD1-CD2 4.09Å; I440-L496 HydrophobicContact CD1-CG 4.43Å; L460-L496 HydrophobicContact CD2-CD2 3.79Å; W492-L496 WeakPolarHBondContact O-CB 3.25Å; W492-L496 WeakPolarHBondContact O-CG 3.37Å; W492-L496 PolarHBondContact O-N 2.97Å; S494-L496 VanDerWaalsContact C-N 3.34Å; S494-L496 PolarHBondContact O-N 3.46Å
497	R	79.2	Confident	89.5	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-108	-33.9	-176.9	-68	177.7	166.1	55.5	4	113	P368 I432 S435 H493 S494 V495	P368-R497 HydrophobicContact CG-CB 4.42Å; I432-R497 PolarHBondContact O-NH2 3.12Å; S435-R497 PolarHBondContact OG-NE 3.02Å; S435-R497 PolarHBondContact OG-NH2 3.23Å; H493-R497 WeakPolarHBondContact O-CD 3.34Å; H493-R497 WeakPolarHBondContact O-CG 3.42Å; H493-R497 PolarHBondContact O-NH1 2.85Å; S494-R497 PolarHBondContact O-N 2.97Å; V495-R497 PolarHBondContact O-N 3.36Å
498	N	77.1	Confident	89.3	Confident	49 Å²	49	41.2 Å²	41.2	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-110.4	-7.9	-176.9	-56.9	-47.4	0	0	0	113	E367 S494	E367-N498 PolarHBondContact O-ND2 2.99Å; S494-N498 PolarHBondContact O-N 3.28Å; S494-N498 PolarHBondContact O-ND2 3.37Å; S494-N498 PolarHBondContact OG-ND2 3Å
499	G	81.3	Confident	89.2	Confident	16 Å²	16	42 Å²	42	17%	0.165	22%	0.215	C	C	.	.			trans	75.1	177.3	-169	0	0	0	0	0	112.8	V495	V495-G499 CarbonylContact O-C 3.11Å; V495-G499 WeakPolarHBondContact O-CA 3.08Å; V495-G499 PolarHBondContact O-N 3.12Å
500	L	87.5	Confident	88.9	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.047	23%	0.228	C	C	.	.	S	Bend	trans	-68.9	134.6	166.9	-69.5	172	0	0	0	110	H485 V495 I519 C579 V602	H485-L500 HydrophobicContact CB-CD1 4.15Å; H485-L500 VanDerWaalsContact CD2-CD2 3.41Å; H485-L500 WeakPolarHBondContact CD2-CD2 3.46Å; H485-L500 WeakPolarHBondContact NE2-CD2 3.46Å; V495-L500 HydrophobicContact CG1-CD2 3.51Å; V495-L500 HydrophobicContact CG1-CG 3.88Å; V495-L500 HydrophobicContact CG2-CD2 4.21Å; L500-I519 HydrophobicContact CB-CD1 3.94Å; L500-I519 HydrophobicContact CB-CG2 4.39Å; L500-I519 HydrophobicContact CD1-CG2 4.36Å; L500-C579 VanDerWaalsContact CD1-SG 3.55Å; L500-V602 HydrophobicContact CD1-CG1 3.96Å
501	V	88.6	Confident	88.5	Confident	59 Å²	59	46.9 Å²	46.9	36%	0.358	24%	0.239	S	C	.	.			trans	-127.8	148.6	-178.3	-63.3	0	0	0	0	111	A503 L508	V501-A503 PolarHBondContact O-N 3.39Å; V501-L508 HydrophobicContact CG2-CD1 4.38Å
502	N	92.4	Very high	88.1	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.134	26%	0.26	C	S	.	.			trans	-66.5	93.2	171.2	-174.6	-16.9	0	0	0	110.7	S504 K517 G518 P597 S599	N502-S504 PolarHBondContact OD1-N 2.84Å; N502-K517 PolarHBondContact ND2-O 2.96Å; N502-K517 WeakPolarHBondContact OD1-CG 3.41Å; N502-G518 WeakPolarHBondContact OD1-CA 3.45Å; N502-G518 PolarHBondContact OD1-N 2.97Å; N502-P597 PolarHBondContact ND2-O 3.39Å; N502-S599 PolarHBondContact N-OG 3.26Å
503	A	91.8	Very high	88	Confident	26 Å²	26	49.2 Å²	49.2	22%	0.215	27%	0.266	C	S	.	.			trans	-82.9	-7.2	-176.3	0	0	0	0	0	114.3	V501 Y505 T506 L508	V501-A503 PolarHBondContact O-N 3.39Å; A503-Y505 PolarHBondContact O-N 2.94Å; A503-T506 WeakPolarHBondContact O-CB 3.48Å; A503-T506 PolarHBondContact O-N 3.49Å; A503-T506 VanDerWaalsContact O-N 3.1Å; A503-T506 PolarHBondContact O-OG1 3.23Å; A503-L508 HydrophobicContact CB-CB 3.9Å
504	S	93.4	Very high	88.1	Confident	7 Å²	7	53.4 Å²	53.4	5%	0.049	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	133.4	-175	-60	0	0	0	0	112.5	N502 T506 G518	N502-S504 PolarHBondContact OD1-N 2.84Å; S504-T506 PolarHBondContact O-N 3.31Å; S504-G518 PolarHBondContact OG-N 2.86Å; S504-G518 VanDerWaalsContact OG-N 3.11Å; S504-G518 PolarHBondContact OG-O 3.15Å
505	Y	92.8	Very high	88.3	Confident	172 Å²	172	57.2 Å²	57.2	68%	0.675	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	24.6	-174.3	-43.5	-71.6	0	0	0	115	A503 A513 K517	A503-Y505 PolarHBondContact O-N 2.94Å; Y505-A513 HydrophobicContact CE1-CB 4.3Å; Y505-A513 HydrophobicContact CE2-CB 4.31Å; Y505-K517 HydrophobicContact CD2-CB 4.49Å; Y505-K517 HydrophobicContact CD2-CG 4.08Å; Y505-K517 HydrophobicContact CE2-CB 4.06Å; Y505-K517 HydrophobicContact CE2-CG 4.16Å
506	T	92.1	Very high	88.5	Confident	68 Å²	68	57.3 Å²	57.3	42%	0.417	32%	0.319	S	S	.	.	S	Bend	trans	-116.3	170.2	173.6	78.8	0	0	0	0	111.6	A503 S504 L508 Q509	A503-T506 WeakPolarHBondContact O-CB 3.48Å; A503-T506 PolarHBondContact O-N 3.49Å; A503-T506 VanDerWaalsContact O-N 3.1Å; A503-T506 PolarHBondContact O-OG1 3.23Å; S504-T506 PolarHBondContact O-N 3.31Å; T506-L508 PolarHBondContact O-N 3.27Å; T506-L508 VanDerWaalsContact O-N 3.1Å; T506-L508 PolarHBondContact OG1-N 3.18Å; T506-L508 VanDerWaalsContact OG1-N 3.16Å; T506-Q509 WeakPolarHBondContact O-CB 3.29Å; T506-Q509 PolarHBondContact O-N 3.3Å
507	K	90.9	Very high	89.1	Confident	179 Å²	179	62.9 Å²	62.9	78%	0.778	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.3	172.7	-62.3	-177	-179.5	-179.5	0	113.9	I364	I364-K507 HydrophobicContact CG2-CB 3.97Å
508	L	89.1	Confident	89.8	Confident	68 Å²	68	62.8 Å²	62.8	36%	0.356	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.9	177.4	-65.8	167.1	0	0	0	112.8	R361 I364 I365 V501 A503 T506 L510	R361-L508 PolarHBondContact NH2-O 3.01Å; R361-L508 VanDerWaalsContact NH2-O 3.15Å; I364-L508 HydrophobicContact CG2-CD2 3.94Å; I365-L508 HydrophobicContact CG2-CD2 4.26Å; V501-L508 HydrophobicContact CG2-CD1 4.38Å; A503-L508 HydrophobicContact CB-CB 3.9Å; T506-L508 PolarHBondContact O-N 3.27Å; T506-L508 VanDerWaalsContact O-N 3.1Å; T506-L508 PolarHBondContact OG1-N 3.18Å; T506-L508 VanDerWaalsContact OG1-N 3.16Å; L508-L510 PolarHBondContact O-N 3.18Å; L508-L510 VanDerWaalsContact O-N 3.15Å
509	Q	91.4	Very high	90.7	Very high	69 Å²	69	60.8 Å²	60.8	32%	0.322	33%	0.333	S	S	.	.			trans	-63.8	113	-178	-170.6	-178.9	-78.2	0	0	111.5	T506 H511	T506-Q509 WeakPolarHBondContact O-CB 3.29Å; T506-Q509 PolarHBondContact O-N 3.3Å; Q509-H511 WeakPolarHBondContact CG-O 3.06Å
510	L	86.8	Confident	91.5	Very high	80 Å²	80	62.4 Å²	62.4	42%	0.419	34%	0.335	S	S	.	.			trans	-94.3	-32.6	173.1	-174.5	62.7	0	0	0	112.7	L508	L508-L510 PolarHBondContact O-N 3.18Å; L508-L510 VanDerWaalsContact O-N 3.15Å
511	H	85.6	Confident	91.9	Very high	85 Å²	85	62.2 Å²	62.2	39%	0.394	33%	0.334	S	S	.	.	S	Bend	trans	-121.8	148.7	-179	-52.3	-57.9	0	0	0	110.3	Q509 Y531	Q509-H511 WeakPolarHBondContact CG-O 3.06Å; H511-Y531 HydrophobicContact CB-CE1 4.34Å; H511-Y531 AromaticContact CD2-CD1 3.46Å; H511-Y531 VanDerWaalsContact CD2-CD1 3.46Å; H511-Y531 WeakPolarHBondContact CD2-CD1 2.97Å; H511-Y531 AromaticContact CD2-CE1 3.76Å; H511-Y531 AromaticContact CG-CE1 3.89Å; H511-Y531 AromaticContact NE2-CD1 3.6Å
512	G	86.3	Confident	92.3	Very high	54 Å²	54	59.5 Å²	59.5	56%	0.557	32%	0.317	S	S	*	.			trans	-63.2	147.8	-176.8	0	0	0	0	0	113.6	A514	G512-A514 PolarHBondContact O-N 2.95Å
513	A	91.2	Very high	92.5	Very high	16 Å²	16	58.5 Å²	58.5	13%	0.132	31%	0.312	C	S	.	.			trans	-82	55.2	177.7	0	0	0	0	0	112.1	Y505 Y515 G516 Y520	Y505-A513 HydrophobicContact CE1-CB 4.3Å; Y505-A513 HydrophobicContact CE2-CB 4.31Å; A513-Y515 VanDerWaalsContact C-N 3.28Å; A513-Y515 PolarHBondContact O-N 3.48Å; A513-G516 PolarHBondContact O-N 3.1Å; A513-Y520 WeakPolarHBondContact CA-OH 3.46Å
514	A	92	Very high	92.7	Very high	88 Å²	88	58.4 Å²	58.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.1	-169.9	0	0	0	0	0	114.5	G512 Y520	G512-A514 PolarHBondContact O-N 2.95Å; A514-Y520 PolarHBondContact N-OH 3.31Å
515	Y	93.4	Very high	92.7	Very high	100 Å²	100	58 Å²	58	39%	0.392	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	31.6	176.2	-60.5	-66.2	0	0	0	111.4	A513 Y520 Q588 H590 I593	A513-Y515 VanDerWaalsContact C-N 3.28Å; A513-Y515 PolarHBondContact O-N 3.48Å; Y515-Y520 HydrophobicContact CD2-CE1 4.2Å; Y515-Y520 PolarHBondContact N-OH 2.89Å; Y515-Q588 PolarHBondContact O-OE1 3.31Å; Y515-H590 HydrophobicContact CD1-CB 3.72Å; Y515-H590 AromaticContact CD1-CD2 3.95Å; Y515-H590 AromaticContact CD1-CG 3.46Å; Y515-H590 VanDerWaalsContact CD1-CG 3.46Å; Y515-H590 AromaticContact CD1-ND1 3.64Å; Y515-H590 HydrophobicContact CD2-CB 4.38Å; Y515-H590 HydrophobicContact CE1-CB 3.85Å; Y515-H590 HydrophobicContact CG-CB 4Å; Y515-H590 AromaticContact CG-CD2 3.89Å; Y515-H590 AromaticContact CG-CG 3.79Å; Y515-I593 HydrophobicContact CD2-CB 4.27Å; Y515-I593 HydrophobicContact CD2-CG2 3.72Å; Y515-I593 HydrophobicContact CE2-CB 4.14Å; Y515-I593 HydrophobicContact CE2-CD1 3.8Å; Y515-I593 HydrophobicContact CE2-CG2 4Å
516	G	93.2	Very high	92.7	Very high	26 Å²	26	52.1 Å²	52.1	27%	0.268	29%	0.289	S	S	.	.			trans	87.2	-173.6	178.4	0	0	0	0	0	114.9	A513 G518 Y520	A513-G516 PolarHBondContact O-N 3.1Å; G516-G518 PolarHBondContact O-N 3.05Å; G516-Y520 PolarHBondContact N-OH 3.01Å; G516-Y520 WeakPolarHBondContact O-CE2 3.45Å; G516-Y520 PolarHBondContact O-OH 3.04Å
517	K	94.7	Very high	92.7	Very high	119 Å²	119	51.2 Å²	51.2	52%	0.517	28%	0.281	S	S	.	.	S	Bend	trans	-84.6	108.9	-166.5	-166.3	-157.2	174.1	-179.4	0	111.9	N502 Y505 P597	N502-K517 PolarHBondContact ND2-O 2.96Å; N502-K517 WeakPolarHBondContact OD1-CG 3.41Å; Y505-K517 HydrophobicContact CD2-CB 4.49Å; Y505-K517 HydrophobicContact CD2-CG 4.08Å; Y505-K517 HydrophobicContact CE2-CB 4.06Å; Y505-K517 HydrophobicContact CE2-CG 4.16Å; K517-P597 WeakPolarHBondContact O-CA 3.31Å; K517-P597 WeakPolarHBondContact O-CB 3.41Å
518	G	94.6	Very high	92.9	Very high	4 Å²	4	42.9 Å²	42.9	4%	0.041	25%	0.245	C	C	.	.	S	Bend	trans	-179.9	-176.6	177.5	0	0	0	0	0	116.5	N502 S504 G516 Y520 C596	N502-G518 WeakPolarHBondContact OD1-CA 3.45Å; N502-G518 PolarHBondContact OD1-N 2.97Å; S504-G518 PolarHBondContact OG-N 2.86Å; S504-G518 VanDerWaalsContact OG-N 3.11Å; S504-G518 PolarHBondContact OG-O 3.15Å; G516-G518 PolarHBondContact O-N 3.05Å; G518-Y520 WeakPolarHBondContact O-CD2 3.41Å; G518-C596 CarbonylContact C-O 3.19Å; G518-C596 VanDerWaalsContact CA-O 3.31Å; G518-C596 WeakPolarHBondContact CA-O 3.3Å
519	I	95.8	Very high	93.1	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.8	165.6	-60.4	166.3	0	0	0	107.3	L500 L521 V595 C596 V602	L500-I519 HydrophobicContact CB-CD1 3.94Å; L500-I519 HydrophobicContact CB-CG2 4.39Å; L500-I519 HydrophobicContact CD1-CG2 4.36Å; I519-L521 HydrophobicContact CG2-CD1 4.34Å; I519-L521 HydrophobicContact CG2-CG 4.29Å; I519-V595 WeakPolarHBondContact O-CA 3.39Å; I519-C596 PolarHBondContact N-O 3.01Å; I519-C596 PolarHBondContact O-N 3.1Å; I519-V602 HydrophobicContact CB-CG2 4.46Å; I519-V602 HydrophobicContact CD1-CB 4.1Å; I519-V602 HydrophobicContact CD1-CG2 3.93Å
520	Y	97.3	Very high	93	Very high	50 Å²	50	37.8 Å²	37.8	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.4	-179.2	-78.3	-116.5	0	0	0	110.2	H485 A513 A514 Y515 G516 G518 I593 W594 V595	H485-Y520 PolarHBondContact ND1-O 3.21Å; A513-Y520 WeakPolarHBondContact CA-OH 3.46Å; A514-Y520 PolarHBondContact N-OH 3.31Å; Y515-Y520 HydrophobicContact CD2-CE1 4.2Å; Y515-Y520 PolarHBondContact N-OH 2.89Å; G516-Y520 PolarHBondContact N-OH 3.01Å; G516-Y520 WeakPolarHBondContact O-CE2 3.45Å; G516-Y520 PolarHBondContact O-OH 3.04Å; G518-Y520 WeakPolarHBondContact O-CD2 3.41Å; Y520-I593 HydrophobicContact CD1-CG2 3.91Å; Y520-I593 HydrophobicContact CE1-CG2 4.31Å; Y520-W594 WeakPolarHBondContact CA-O 3.28Å; Y520-V595 HydrophobicContact CD1-CG2 3.99Å; Y520-V595 HydrophobicContact CD2-CG1 4.49Å; Y520-V595 HydrophobicContact CD2-CG2 4.26Å; Y520-V595 HydrophobicContact CE1-CG2 3.65Å; Y520-V595 HydrophobicContact CE2-CG1 4.02Å; Y520-V595 HydrophobicContact CE2-CG2 3.91Å; Y520-V595 HydrophobicContact CG-CG2 4.27Å
521	L	97.5	Very high	93.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.4	-171.7	-71.8	148.8	0	0	0	109.2	A483 F484 H485 I519 C579 V581 W594 C596 V602	A483-L521 HydrophobicContact CB-CB 4.03Å; A483-L521 HydrophobicContact CB-CD2 4.18Å; F484-L521 WeakPolarHBondContact O-CA 3.36Å; H485-L521 HydrophobicContact CB-CD2 3.99Å; I519-L521 HydrophobicContact CG2-CD1 4.34Å; I519-L521 HydrophobicContact CG2-CG 4.29Å; L521-C579 HydrophobicContact CD2-CB 3.98Å; L521-V581 HydrophobicContact CD1-CG1 4.13Å; L521-V581 HydrophobicContact CD1-CG2 3.86Å; L521-V581 HydrophobicContact CD2-CG2 4.13Å; L521-W594 HydrophobicContact CB-CB 4.23Å; L521-W594 PolarHBondContact N-O 3.14Å; L521-W594 PolarHBondContact O-N 3.08Å; L521-C596 HydrophobicContact CD1-CB 4.1Å; L521-V602 HydrophobicContact CD1-CG1 4.34Å; L521-V602 HydrophobicContact CD1-CG2 3.97Å; L521-V602 HydrophobicContact CD2-CG1 4.38Å
522	S	97.1	Very high	93.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-142.7	136.6	175.6	168	0	0	0	0	110.7	A483 F484 I524 N592	A483-S522 CarbonylContact C-O 3.52Å; F484-S522 PolarHBondContact N-O 2.99Å; F484-S522 PolarHBondContact O-N 2.85Å; S522-I524 PolarHBondContact O-N 3.46Å; S522-I524 WeakPolarHBondContact OG-CA 3.02Å; S522-I524 PolarHBondContact OG-N 3.38Å; S522-I524 PolarHBondContact OG-O 3.31Å; S522-N592 WeakPolarHBondContact CA-O 3.08Å; S522-N592 WeakPolarHBondContact CB-O 3.34Å; S522-N592 PolarHBondContact OG-O 3.26Å
523	P	96.5	Very high	93.5	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.026	19%	0.188	C	C	.	.	S	Bend	trans	-70.4	-19.5	168.1	30.9	-32.6	0	0	0	112.2	N592 W594 N621 T622 Q623	P523-N592 WeakPolarHBondContact CD-O 3.35Å; P523-W594 HydrophobicContact CB-CH2 4.19Å; P523-W594 HydrophobicContact CB-CZ2 3.95Å; P523-W594 HydrophobicContact CG-CH2 4.49Å; P523-W594 HydrophobicContact CG-CZ2 3.79Å; P523-N621 CarbonylContact O-C 3.55Å; P523-N621 WeakPolarHBondContact O-CA 3.5Å; P523-T622 VanDerWaalsContact CA-OG1 3.26Å; P523-T622 WeakPolarHBondContact CA-OG1 3.28Å; P523-T622 WeakPolarHBondContact CB-OG1 3.34Å; P523-T622 PolarHBondContact O-N 3.03Å; P523-T622 PolarHBondContact O-OG1 2.78Å; P523-Q623 HydrophobicContact CB-CG 3.89Å
524	I	95.6	Very high	93.1	Very high	24 Å²	24	32.2 Å²	32.2	12%	0.123	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-95.8	127.2	-180	-49	-54.9	0	0	0	110.9	S522 S526 I527 N592 I620 N621	S522-I524 PolarHBondContact O-N 3.46Å; S522-I524 WeakPolarHBondContact OG-CA 3.02Å; S522-I524 PolarHBondContact OG-N 3.38Å; S522-I524 PolarHBondContact OG-O 3.31Å; I524-S526 WeakPolarHBondContact CG2-OG 3.42Å; I524-I527 HydrophobicContact CB-CD1 4.18Å; I524-I527 HydrophobicContact CB-CG1 4.32Å; I524-N592 HydrophobicContact CG1-CB 4.01Å; I524-I620 WeakPolarHBondContact CA-O 3.5Å; I524-N621 HydrophobicContact CD1-CB 3.63Å
525	S	93	Very high	91.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-45.9	-178.2	55	0	0	0	0	114.1	I527 S528 F529 D617 A618 I620	S525-I527 VanDerWaalsContact C-N 3.29Å; S525-I527 PolarHBondContact O-N 2.94Å; S525-S528 PolarHBondContact O-N 3.23Å; S525-F529 WeakPolarHBondContact O-CG 3.19Å; S525-F529 PolarHBondContact O-N 3.3Å; S525-D617 PolarHBondContact OG-O 3.26Å; S525-A618 VanDerWaalsContact OG-C 3.29Å; S525-A618 PolarHBondContact OG-O 3.27Å; S525-I620 PolarHBondContact N-O 2.83Å; S525-I620 PolarHBondContact OG-N 3.38Å
526	S	91.9	Very high	89.9	Confident	48 Å²	48	33 Å²	33	34%	0.336	20%	0.195	S	C	.	.	H	α-helix	trans	-57.2	-35.9	-177.7	42.9	0	0	0	0	114.7	I524 F529 G530 A618	I524-S526 WeakPolarHBondContact CG2-OG 3.42Å; S526-F529 PolarHBondContact O-N 3.12Å; S526-G530 PolarHBondContact O-N 3.27Å; S526-A618 WeakPolarHBondContact CB-O 3.5Å; S526-A618 PolarHBondContact N-O 2.55Å; S526-A618 PolarHBondContact OG-O 3.03Å
527	I	93.2	Very high	87.7	Confident	48 Å²	48	35.8 Å²	35.8	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-50.1	175.8	-62.1	-180	0	0	0	109.4	I524 S525 G530 Y531 N592 I593	I524-I527 HydrophobicContact CB-CD1 4.18Å; I524-I527 HydrophobicContact CB-CG1 4.32Å; S525-I527 VanDerWaalsContact C-N 3.29Å; S525-I527 PolarHBondContact O-N 2.94Å; I527-G530 PolarHBondContact O-N 3.34Å; I527-Y531 HydrophobicContact CG2-CD2 4.44Å; I527-Y531 HydrophobicContact CG2-CE2 4.05Å; I527-Y531 WeakPolarHBondContact O-CD2 3.37Å; I527-N592 HydrophobicContact CD1-CB 3.54Å; I527-I593 HydrophobicContact CG2-CG1 4.47Å
528	S	94.6	Very high	85.3	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-37.2	178.6	-63.3	0	0	0	0	112.9	F484 G486 S525 G530 Y531 S532	F484-S528 VanDerWaalsContact CB-OG 3.25Å; F484-S528 WeakPolarHBondContact CB-OG 3.35Å; F484-S528 PolarHBondContact O-OG 3.11Å; G486-S528 WeakPolarHBondContact CA-O 3.13Å; S525-S528 PolarHBondContact O-N 3.23Å; S528-G530 PolarHBondContact O-N 2.74Å; S528-Y531 PolarHBondContact O-N 2.63Å; S528-S532 PolarHBondContact O-N 3.17Å; S528-S532 PolarHBondContact O-OG 3.2Å
529	F	92.9	Very high	82.9	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-53.6	-41.7	172.5	-71.2	-33	0	0	0	111.8	M452 S525 S526 Y531 S532 G533 M534 I576 Y610 V615 G616	M452-F529 HydrophobicContact CE-CE1 4.44Å; S525-F529 WeakPolarHBondContact O-CG 3.19Å; S525-F529 PolarHBondContact O-N 3.3Å; S526-F529 PolarHBondContact O-N 3.12Å; F529-Y531 VanDerWaalsContact C-N 3.28Å; F529-Y531 PolarHBondContact O-N 2.88Å; F529-S532 CarbonylContact O-C 3.51Å; F529-S532 WeakPolarHBondContact O-CA 3.22Å; F529-S532 WeakPolarHBondContact O-CB 3.41Å; F529-S532 PolarHBondContact O-N 3.06Å; F529-G533 PolarHBondContact O-N 3Å; F529-M534 HydrophobicContact CB-CB 4Å; F529-M534 HydrophobicContact CB-SD 4.36Å; F529-M534 HydrophobicContact CD1-CE 3.8Å; F529-M534 HydrophobicContact CD1-SD 3.52Å; F529-M534 VanDerWaalsContact CD1-SD 3.52Å; F529-M534 HydrophobicContact CE1-CE 4Å; F529-M534 HydrophobicContact CE1-SD 4.2Å; F529-M534 HydrophobicContact CG-SD 4.26Å; F529-M534 WeakPolarHBondContact O-CB 3.48Å; F529-M534 PolarHBondContact O-N 2.67Å; F529-I576 HydrophobicContact CD1-CD1 3.54Å; F529-I576 HydrophobicContact CE1-CD1 3.68Å; F529-I576 HydrophobicContact CE1-CG2 4.14Å; F529-I576 HydrophobicContact CG-CD1 4.46Å; F529-Y610 HydrophobicContact CE1-CE2 4.18Å; F529-V615 HydrophobicContact CB-CG2 4.37Å; F529-V615 HydrophobicContact CD1-CG2 4.08Å; F529-V615 HydrophobicContact CD2-CG2 3.35Å; F529-V615 HydrophobicContact CE1-CG2 4.15Å; F529-V615 HydrophobicContact CE2-CG2 3.46Å; F529-V615 VanDerWaalsContact CE2-CG2 3.46Å; F529-V615 HydrophobicContact CG-CG2 3.71Å; F529-V615 HydrophobicContact CZ-CG2 3.88Å; F529-G616 WeakPolarHBondContact CE2-O 3.48Å
530	G	90.3	Very high	80.1	Confident	24 Å²	24	52.6 Å²	52.6	25%	0.247	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-29.7	176.3	0	0	0	0	0	114.9	S526 I527 S528 K536	S526-G530 PolarHBondContact O-N 3.27Å; I527-G530 PolarHBondContact O-N 3.34Å; S528-G530 PolarHBondContact O-N 2.74Å; G530-K536 WeakPolarHBondContact O-CE 3.43Å
531	Y	92.3	Very high	77.4	Confident	91 Å²	91	56.6 Å²	56.6	36%	0.357	32%	0.315	S	S	.	.	H	α-helix	trans	-84.8	-15.2	173.8	-69.1	-73.9	0	0	0	113.6	S487 H488 H511 I527 S528 F529 G533	S487-Y531 CarbonylContact C-O 3.53Å; S487-Y531 WeakPolarHBondContact CA-O 3.43Å; H488-Y531 PolarHBondContact N-O 2.98Å; H511-Y531 HydrophobicContact CB-CE1 4.34Å; H511-Y531 AromaticContact CD2-CD1 3.46Å; H511-Y531 VanDerWaalsContact CD2-CD1 3.46Å; H511-Y531 WeakPolarHBondContact CD2-CD1 2.97Å; H511-Y531 AromaticContact CD2-CE1 3.76Å; H511-Y531 AromaticContact CG-CE1 3.89Å; H511-Y531 AromaticContact NE2-CD1 3.6Å; I527-Y531 HydrophobicContact CG2-CD2 4.44Å; I527-Y531 HydrophobicContact CG2-CE2 4.05Å; I527-Y531 WeakPolarHBondContact O-CD2 3.37Å; S528-Y531 PolarHBondContact O-N 2.63Å; F529-Y531 VanDerWaalsContact C-N 3.28Å; F529-Y531 PolarHBondContact O-N 2.88Å; Y531-G533 VanDerWaalsContact C-N 3.31Å
532	S	91.9	Very high	74.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	3.6	169.5	-66.2	0	0	0	0	113.7	G486 S487 S528 F529 M534 N574 C575	G486-S532 VanDerWaalsContact CA-OG 3.22Å; G486-S532 WeakPolarHBondContact CA-OG 3.49Å; S487-S532 PolarHBondContact N-OG 3.48Å; S528-S532 PolarHBondContact O-N 3.17Å; S528-S532 PolarHBondContact O-OG 3.2Å; F529-S532 CarbonylContact O-C 3.51Å; F529-S532 WeakPolarHBondContact O-CA 3.22Å; F529-S532 WeakPolarHBondContact O-CB 3.41Å; F529-S532 PolarHBondContact O-N 3.06Å; S532-M534 VanDerWaalsContact C-N 3.29Å; S532-N574 PolarHBondContact O-ND2 3.48Å; S532-C575 VanDerWaalsContact CB-O 3.23Å; S532-C575 WeakPolarHBondContact CB-O 3.32Å; S532-C575 PolarHBondContact OG-O 3.38Å
533	G	85.6	Confident	72.5	Confident	20 Å²	20	62.2 Å²	62.2	21%	0.206	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	7	-175.3	0	0	0	0	0	114.6	F529 Y531	F529-G533 PolarHBondContact O-N 3Å; Y531-G533 VanDerWaalsContact C-N 3.31Å
534	M	82.2	Confident	70.1	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.034	38%	0.384	C	S	.	.			trans	-87.1	154.3	-176.4	-55.6	164.7	78.8	0	0	110.8	F529 S532 K536 N574 Y610 Q614 V615	F529-M534 HydrophobicContact CB-CB 4Å; F529-M534 HydrophobicContact CB-SD 4.36Å; F529-M534 HydrophobicContact CD1-CE 3.8Å; F529-M534 HydrophobicContact CD1-SD 3.52Å; F529-M534 VanDerWaalsContact CD1-SD 3.52Å; F529-M534 HydrophobicContact CE1-CE 4Å; F529-M534 HydrophobicContact CE1-SD 4.2Å; F529-M534 HydrophobicContact CG-SD 4.26Å; F529-M534 WeakPolarHBondContact O-CB 3.48Å; F529-M534 PolarHBondContact O-N 2.67Å; S532-M534 VanDerWaalsContact C-N 3.29Å; M534-K536 PolarHBondContact O-N 3.07Å; M534-N574 HydrophobicContact CE-CB 4.25Å; M534-N574 HydrophobicContact CG-CB 3.32Å; M534-N574 HydrophobicContact SD-CB 3.71Å; M534-Y610 HydrophobicContact CE-CD1 4.11Å; M534-Y610 HydrophobicContact CE-CD2 3.28Å; M534-Y610 HydrophobicContact CE-CE1 4.48Å; M534-Y610 HydrophobicContact CE-CE2 3.73Å; M534-Y610 HydrophobicContact CE-CG 3.48Å; M534-Y610 VanDerWaalsContact CE-CG 3.48Å; M534-Y610 HydrophobicContact SD-CD2 4.18Å; M534-Q614 VanDerWaalsContact CE-O 3.22Å; M534-Q614 WeakPolarHBondContact CE-O 3.49Å; M534-V615 HydrophobicContact CE-CB 3.92Å; M534-V615 HydrophobicContact CE-CG2 3.82Å
535	G	62.3	Low	67.7	Low	78 Å²	78	74.4 Å²	74.4	80%	0.804	41%	0.407	S	S	*	.	S	Bend	trans	70.9	-4.7	176.5	0	0	0	0	0	116
536	K	55.3	Low	65.7	Low	127 Å²	127	78.1 Å²	78.1	55%	0.552	43%	0.425	S	S	*	.	S	Bend	trans	-78.1	129.1	166.6	-61.9	-175.8	-174.9	175.5	0	108.2	G530 M534 Q538	G530-K536 WeakPolarHBondContact O-CE 3.43Å; M534-K536 PolarHBondContact O-N 3.07Å; K536-Q538 PolarHBondContact O-N 3.1Å
537	G	47.2	Very low	64	Low	83 Å²	83	80.4 Å²	80.4	86%	0.856	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	42	-166.6	0	0	0	0	0	117.5
538	Q	44.3	Very low	62.3	Low	180 Å²	180	81.7 Å²	81.7	84%	0.841	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.9	172.9	-71.9	-174.8	-44.5	0	0	113.6	K536	K536-Q538 PolarHBondContact O-N 3.1Å
539	H	44.8	Very low	60.1	Low	87 Å²	87	86.6 Å²	86.6	40%	0.403	47%	0.465	S	S	.	.	S	Bend	trans	-111.1	109.7	166.2	-61.8	-52.8	0	0	0	109.3	M541 N572	H539-M541 PolarHBondContact O-N 2.62Å; H539-N572 PolarHBondContact CE1-ND2 3.47Å; H539-N572 PolarHBondContact NE2-ND2 3.12Å
540	R	36.3	Very low	58.3	Low	215 Å²	215	94.4 Å²	94.4	81%	0.811	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58.3	123.7	165.2	-82.9	-174.9	173.9	-177.3	-1.2	107.7	P542	R540-P542 WeakPolarHBondContact O-CD 3.45Å
541	M	40.9	Very low	56.4	Low	134 Å²	134	101.1 Å²	101.1	66%	0.66	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-56.8	122.8	156.5	-74.6	-68.8	110.6	0	0	107.2	H539 T543	H539-M541 PolarHBondContact O-N 2.62Å; M541-T543 PolarHBondContact O-N 2.73Å
542	P	44.8	Very low	54.1	Low	54 Å²	54	101.1 Å²	101.1	35%	0.351	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-59	127.8	175.7	-23.1	34.1	0	0	0	109.2	R540 E546 L547	R540-P542 WeakPolarHBondContact O-CD 3.45Å; P542-E546 HydrophobicContact CB-CB 4.24Å; P542-L547 HydrophobicContact CB-CD2 3.91Å; P542-L547 HydrophobicContact CB-CG 4.03Å; P542-L547 HydrophobicContact CG-CD2 4.42Å
543	T	46.2	Very low	52	Low	72 Å²	72	108.8 Å²	108.8	44%	0.442	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-60.5	158.1	174.6	55.3	0	0	0	0	110.6	M541 D545 E546 L547	M541-T543 PolarHBondContact O-N 2.73Å; T543-D545 PolarHBondContact O-N 2.91Å; T543-D545 VanDerWaalsContact O-N 3.11Å; T543-E546 WeakPolarHBondContact CB-OE2 3.34Å; T543-E546 PolarHBondContact N-OE2 2.85Å; T543-E546 PolarHBondContact O-N 3.06Å; T543-E546 VanDerWaalsContact OG1-CD 3.29Å; T543-E546 VanDerWaalsContact OG1-CG 3.26Å; T543-E546 WeakPolarHBondContact OG1-CG 3.35Å; T543-E546 PolarHBondContact OG1-N 2.95Å; T543-E546 PolarHBondContact OG1-OE2 3.03Å; T543-L547 PolarHBondContact O-N 3.01Å
544	K	46.2	Very low	49.9	Very low	171 Å²	171	115.1 Å²	115.1	74%	0.743	58%	0.575	S	S	*	*	H	α-helix	trans	-52.5	-36.4	178	-171.3	179.8	177.8	-175	0	111.6	L547 V548	K544-L547 PolarHBondContact O-N 3.36Å; K544-V548 WeakPolarHBondContact O-CG2 3.5Å; K544-V548 PolarHBondContact O-N 2.87Å; K544-V548 VanDerWaalsContact O-N 3.08Å
545	D	46.8	Very low	48	Very low	113 Å²	113	120.9 Å²	120.9	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-75.1	-36.5	179.3	-53.1	-46	0	0	0	112.5	T543 L547 V548 Q549	T543-D545 PolarHBondContact O-N 2.91Å; T543-D545 VanDerWaalsContact O-N 3.11Å; D545-L547 VanDerWaalsContact C-N 3.33Å; D545-L547 PolarHBondContact O-N 3.21Å; D545-V548 PolarHBondContact O-N 3.25Å; D545-Q549 WeakPolarHBondContact O-CB 3.49Å; D545-Q549 WeakPolarHBondContact O-CG 3.34Å; D545-Q549 PolarHBondContact O-N 3.08Å
546	E	49.8	Very low	46.9	Very low	77 Å²	77	122.4 Å²	122.4	36%	0.36	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-34.9	171.6	-75.3	165.9	136.1	0	0	112.1	P542 T543 R550	P542-E546 HydrophobicContact CB-CB 4.24Å; T543-E546 WeakPolarHBondContact CB-OE2 3.34Å; T543-E546 PolarHBondContact N-OE2 2.85Å; T543-E546 PolarHBondContact O-N 3.06Å; T543-E546 VanDerWaalsContact OG1-CD 3.29Å; T543-E546 VanDerWaalsContact OG1-CG 3.26Å; T543-E546 WeakPolarHBondContact OG1-CG 3.35Å; T543-E546 PolarHBondContact OG1-N 2.95Å; T543-E546 PolarHBondContact OG1-OE2 3.03Å; E546-R550 PolarHBondContact O-N 3.47Å
547	L	56.7	Low	46	Very low	96 Å²	96	122.1 Å²	122.1	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-66.8	-45.1	173.5	-68	172.1	0	0	0	111.7	P542 T543 K544 D545 R550 Y551	P542-L547 HydrophobicContact CB-CD2 3.91Å; P542-L547 HydrophobicContact CB-CG 4.03Å; P542-L547 HydrophobicContact CG-CD2 4.42Å; T543-L547 PolarHBondContact O-N 3.01Å; K544-L547 PolarHBondContact O-N 3.36Å; D545-L547 VanDerWaalsContact C-N 3.33Å; D545-L547 PolarHBondContact O-N 3.21Å; L547-R550 WeakPolarHBondContact O-CB 3.47Å; L547-R550 PolarHBondContact O-N 3.2Å; L547-Y551 PolarHBondContact O-N 2.89Å
548	V	57.5	Low	45.4	Very low	75 Å²	75	123.5 Å²	123.5	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-64.5	-40.2	175.5	171.4	0	0	0	0	111.3	K544 D545 R550 Y551 N552	K544-V548 WeakPolarHBondContact O-CG2 3.5Å; K544-V548 PolarHBondContact O-N 2.87Å; K544-V548 VanDerWaalsContact O-N 3.08Å; D545-V548 PolarHBondContact O-N 3.25Å; V548-R550 PolarHBondContact O-N 3.32Å; V548-Y551 PolarHBondContact O-N 2.95Å; V548-N552 WeakPolarHBondContact O-CB 3.39Å; V548-N552 VanDerWaalsContact O-CG 3.31Å; V548-N552 PolarHBondContact O-N 3.38Å; V548-N552 PolarHBondContact O-ND2 2.9Å
549	Q	48.9	Very low	45.1	Very low	108 Å²	108	124.4 Å²	124.4	51%	0.505	60%	0.601	S	S	.	*	H	α-helix	trans	-64.2	-37.4	173.6	-75.6	-171.1	18.9	0	0	112.7	D545 N552 R553	D545-Q549 WeakPolarHBondContact O-CB 3.49Å; D545-Q549 WeakPolarHBondContact O-CG 3.34Å; D545-Q549 PolarHBondContact O-N 3.08Å; Q549-N552 PolarHBondContact O-N 3.42Å; Q549-R553 WeakPolarHBondContact O-CB 3.21Å; Q549-R553 WeakPolarHBondContact O-CG 3.26Å; Q549-R553 PolarHBondContact O-N 3Å
550	R	55.2	Low	44.6	Very low	169 Å²	169	125 Å²	125	64%	0.638	62%	0.615	S	S	*	*	H	α-helix	trans	-61.6	-45.6	172.9	-107.3	178.2	171.2	170.5	-3.9	111.7	E546 L547 V548 N552 R553 M554	E546-R550 PolarHBondContact O-N 3.47Å; L547-R550 WeakPolarHBondContact O-CB 3.47Å; L547-R550 PolarHBondContact O-N 3.2Å; V548-R550 PolarHBondContact O-N 3.32Å; R550-N552 VanDerWaalsContact C-N 3.34Å; R550-N552 PolarHBondContact O-N 3.38Å; R550-R553 PolarHBondContact O-N 2.95Å; R550-M554 PolarHBondContact O-N 3.42Å
551	Y	49	Very low	44.5	Very low	165 Å²	165	126.4 Å²	126.4	65%	0.647	62%	0.62	S	S	*	*	H	α-helix	trans	-60.9	-43	177.4	-160.7	-95.8	0	0	0	111.7	L547 V548 M554	L547-Y551 PolarHBondContact O-N 2.89Å; V548-Y551 PolarHBondContact O-N 2.95Å; Y551-M554 PolarHBondContact O-N 3.43Å
552	N	45.3	Very low	44.1	Very low	91 Å²	91	124.4 Å²	124.4	49%	0.487	62%	0.617	S	S	.	*	H	α-helix	trans	-73.8	-33.1	-179.6	-67.8	-19.1	0	0	0	113.5	V548 Q549 R550 M554 N555 T556	V548-N552 WeakPolarHBondContact O-CB 3.39Å; V548-N552 VanDerWaalsContact O-CG 3.31Å; V548-N552 PolarHBondContact O-N 3.38Å; V548-N552 PolarHBondContact O-ND2 2.9Å; Q549-N552 PolarHBondContact O-N 3.42Å; R550-N552 VanDerWaalsContact C-N 3.34Å; R550-N552 PolarHBondContact O-N 3.38Å; N552-M554 VanDerWaalsContact C-N 3.3Å; N552-M554 PolarHBondContact O-N 2.94Å; N552-N555 PolarHBondContact O-N 3.39Å; N552-T556 PolarHBondContact O-OG1 3.1Å
553	R	46.3	Very low	44	Very low	162 Å²	162	130.3 Å²	130.3	61%	0.611	64%	0.644	S	S	*	*	H	α-helix	trans	-66.4	-27.4	174.7	-77.9	-176.1	-167.6	-166.9	6.9	113.4	Q549 R550 N555 T556	Q549-R553 WeakPolarHBondContact O-CB 3.21Å; Q549-R553 WeakPolarHBondContact O-CG 3.26Å; Q549-R553 PolarHBondContact O-N 3Å; R550-R553 PolarHBondContact O-N 2.95Å; R553-N555 PolarHBondContact O-N 2.92Å; R553-T556 PolarHBondContact O-N 3.47Å
554	M	42.7	Very low	43.7	Very low	154 Å²	154	133.6 Å²	133.6	76%	0.759	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-24.4	175	-76.3	176	55.2	0	0	112.9	R550 Y551 N552	R550-M554 PolarHBondContact O-N 3.42Å; Y551-M554 PolarHBondContact O-N 3.43Å; N552-M554 VanDerWaalsContact C-N 3.3Å; N552-M554 PolarHBondContact O-N 2.94Å
555	N	42.2	Very low	43.4	Very low	128 Å²	128	128.3 Å²	128.3	68%	0.684	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	2.8	-175.4	-67.4	-20	0	0	0	114.5	N552 R553	N552-N555 PolarHBondContact O-N 3.39Å; R553-N555 PolarHBondContact O-N 2.92Å
556	T	39.5	Very low	43.6	Very low	110 Å²	110	126.8 Å²	126.8	68%	0.675	63%	0.625	S	S	*	*	S	Bend	trans	-136.5	8.2	-169.1	34.5	0	0	0	0	116.7	N552 R553	N552-T556 PolarHBondContact O-OG1 3.1Å; R553-T556 PolarHBondContact O-N 3.47Å
557	I	35.5	Very low	44.4	Very low	120 Å²	120	126.9 Å²	126.9	62%	0.615	62%	0.624	S	S	*	*			trans	-104.1	118.6	178.3	-63.7	173.1	0	0	0	110.9
558	P	34.9	Very low	45	Very low	113 Å²	113	122.4 Å²	122.4	73%	0.734	60%	0.601	S	S	*	*			trans	-61.9	140.9	167.9	-20.2	32.6	0	0	0	111.2	S560	P558-S560 PolarHBondContact O-N 3.46Å
559	Q	38.2	Very low	45.5	Very low	198 Å²	198	126.2 Å²	126.2	93%	0.925	61%	0.613	S	S	*	*			trans	-62.3	91.7	-171.3	-64.7	-179.3	-1.9	0	0	113.6
560	S	33	Very low	46.8	Very low	100 Å²	100	121.8 Å²	121.8	70%	0.699	59%	0.594	S	S	*	*	S	Bend	trans	-90.2	145.2	147.4	53.8	0	0	0	0	108.4	P558	P558-S560 PolarHBondContact O-N 3.46Å
561	R	34.6	Very low	47.8	Very low	245 Å²	245	122 Å²	122	93%	0.925	60%	0.595	S	S	*	*			trans	-43	122	-158.8	-69	179.7	178.1	175.7	-1.1	113.2
562	P	33.9	Very low	49.5	Very low	91 Å²	91	116.6 Å²	116.6	59%	0.591	58%	0.578	S	S	*	*			trans	-64.1	141	179	26.8	-33.4	0	0	0	110	Q564	P562-Q564 HydrophobicContact CG-CG 4.25Å; P562-Q564 PolarHBondContact O-N 3.48Å
563	I	42.7	Very low	51.6	Low	179 Å²	179	112.6 Å²	112.6	92%	0.918	56%	0.556	S	S	*	*			trans	-66.9	103.4	165.4	-65	171	0	0	0	106
564	Q	38.6	Very low	53.8	Low	140 Å²	140	105.6 Å²	105.6	65%	0.654	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-73.5	145.5	-163.6	-82.6	165.9	-15.1	0	0	113.2	P562 R566	P562-Q564 HydrophobicContact CG-CG 4.25Å; P562-Q564 PolarHBondContact O-N 3.48Å; Q564-R566 PolarHBondContact O-N 3.15Å
565	S	39.2	Very low	56.2	Low	61 Å²	61	98.3 Å²	98.3	43%	0.427	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-58.4	120.4	-171.4	58.8	0	0	0	0	114.1	R404	R404-S565 WeakPolarHBondContact CD-OG 3.32Å; R404-S565 PolarHBondContact NH1-OG 2.86Å
566	R	52.4	Low	58.7	Low	81 Å²	81	92.2 Å²	92.2	31%	0.306	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-92	166.3	160	-69.3	-179.1	-67.1	147.5	8.1	110.2	Q564 L568 Q569 S570	Q564-R566 PolarHBondContact O-N 3.15Å; R566-L568 WeakPolarHBondContact CB-O 3.34Å; R566-Q569 PolarHBondContact NH2-O 2.89Å; R566-S570 PolarHBondContact NH1-O 3.01Å; R566-S570 PolarHBondContact NH2-O 3.37Å
567	F	65.4	Low	61.4	Low	78 Å²	78	87 Å²	87	34%	0.342	43%	0.43	S	S	.	.	S	Bend	trans	-72.4	-42.6	172.4	-73.1	-84.3	0	0	0	110	A343 E344 D347 I403 H456	A343-F567 HydrophobicContact CB-CD2 4.39Å; A343-F567 HydrophobicContact CB-CE2 3.66Å; A343-F567 HydrophobicContact CB-CZ 3.79Å; E344-F567 HydrophobicContact CG-CB 3.96Å; E344-F567 HydrophobicContact CG-CD1 3.41Å; E344-F567 VanDerWaalsContact CG-CD1 3.41Å; E344-F567 HydrophobicContact CG-CD2 4.4Å; E344-F567 HydrophobicContact CG-CE1 3.9Å; E344-F567 HydrophobicContact CG-CG 3.69Å; D347-F567 HydrophobicContact CB-CB 4.45Å; D347-F567 WeakPolarHBondContact OD2-CB 3.31Å; D347-F567 PolarHBondContact OD2-N 3.13Å; I403-F567 HydrophobicContact CB-CD2 4.06Å; I403-F567 HydrophobicContact CB-CE2 3.92Å; I403-F567 HydrophobicContact CG1-CD2 4.42Å; I403-F567 HydrophobicContact CG2-CE2 4.04Å; H456-F567 PolarHBondContact CE1-O 2.6Å
568	L	70.8	Confident	64.2	Low	3 Å²	3	81.2 Å²	81.2	2%	0.016	40%	0.401	C	S	.	.	S	Bend	trans	-87.6	101.7	161.7	-63.6	169.4	0	0	0	108.5	D347 L348 A351 R566 S570 L573 V609	D347-L568 PolarHBondContact OD2-N 3.39Å; L348-L568 HydrophobicContact CB-CD1 4.13Å; L348-L568 HydrophobicContact CD1-CD1 3.97Å; A351-L568 HydrophobicContact CB-CD1 4.18Å; R566-L568 WeakPolarHBondContact CB-O 3.34Å; L568-S570 VanDerWaalsContact C-N 3.32Å; L568-S570 PolarHBondContact O-N 3.09Å; L568-L573 HydrophobicContact CB-CD1 4.43Å; L568-L573 HydrophobicContact CB-CD2 4.44Å; L568-L573 HydrophobicContact CD1-CD1 3.93Å; L568-L573 HydrophobicContact CD2-CD2 4.32Å; L568-V609 HydrophobicContact CD2-CG1 3.98Å
569	Q	67.3	Low	67.1	Low	155 Å²	155	75.9 Å²	75.9	72%	0.724	37%	0.366	S	S	*	.			trans	-63.2	-38.2	-171.5	-57.1	-174.9	8.7	0	0	112	R566 E611	R566-Q569 PolarHBondContact NH2-O 2.89Å; Q569-E611 PolarHBondContact N-OE1 3.23Å; Q569-E611 PolarHBondContact N-OE2 3.25Å
570	S	76.8	Confident	69.7	Low	15 Å²	15	66.6 Å²	66.6	11%	0.105	32%	0.323	C	S	.	.			trans	-96.8	165.6	-177.5	-168	0	0	0	0	114	R566 L568 N572 E611 D612	R566-S570 PolarHBondContact NH1-O 3.01Å; R566-S570 PolarHBondContact NH2-O 3.37Å; L568-S570 VanDerWaalsContact C-N 3.32Å; L568-S570 PolarHBondContact O-N 3.09Å; S570-N572 PolarHBondContact OG-N 3.34Å; S570-E611 PolarHBondContact N-OE1 2.82Å; S570-D612 VanDerWaalsContact CB-OD1 3.28Å; S570-D612 WeakPolarHBondContact CB-OD1 3.49Å; S570-D612 WeakPolarHBondContact CB-OD2 3.5Å; S570-D612 VanDerWaalsContact OG-CG 3.31Å; S570-D612 PolarHBondContact OG-OD1 3.35Å
571	R	75.8	Confident	72.7	Confident	172 Å²	172	61.9 Å²	61.9	65%	0.649	29%	0.289	S	S	*	.	S	Bend	trans	-95.2	-18.3	162.5	-68.4	-170.1	-179.6	-153.9	1.6	111.4	L573	R571-L573 PolarHBondContact O-N 2.94Å
572	N	84.1	Confident	75.6	Confident	53 Å²	53	50.2 Å²	50.2	28%	0.283	25%	0.245	S	C	.	.			trans	-86.6	98	177.4	-176.4	33.9	0	0	0	109.2	H539 S570 D612	H539-N572 PolarHBondContact CE1-ND2 3.47Å; H539-N572 PolarHBondContact NE2-ND2 3.12Å; S570-N572 PolarHBondContact OG-N 3.34Å; N572-D612 PolarHBondContact O-N 3.34Å
573	L	90.5	Very high	78.5	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.4	-172.1	-61.8	176.3	0	0	0	110.3	A351 I489 L568 R571 V609 Y610 E611	A351-L573 HydrophobicContact CB-CD1 3.89Å; I489-L573 HydrophobicContact CD1-CB 3.56Å; I489-L573 HydrophobicContact CD1-CD1 3.96Å; I489-L573 HydrophobicContact CD1-CG 4.39Å; L568-L573 HydrophobicContact CB-CD1 4.43Å; L568-L573 HydrophobicContact CB-CD2 4.44Å; L568-L573 HydrophobicContact CD1-CD1 3.93Å; L568-L573 HydrophobicContact CD2-CD2 4.32Å; R571-L573 PolarHBondContact O-N 2.94Å; L573-V609 HydrophobicContact CB-CG1 4.43Å; L573-V609 HydrophobicContact CD2-CG1 4.13Å; L573-Y610 CarbonylContact C-O 3.48Å; L573-Y610 VanDerWaalsContact CA-O 3.31Å; L573-Y610 WeakPolarHBondContact CA-O 3.27Å; L573-E611 HydrophobicContact CD2-CB 4.33Å; L573-E611 HydrophobicContact CD2-CG 3.76Å
574	N	92.3	Very high	80.9	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.8	170.5	-59.8	101.8	0	0	0	110.2	S532 M534 V609 Y610	S532-N574 PolarHBondContact O-ND2 3.48Å; M534-N574 HydrophobicContact CE-CB 4.25Å; M534-N574 HydrophobicContact CG-CB 3.32Å; M534-N574 HydrophobicContact SD-CB 3.71Å; N574-V609 WeakPolarHBondContact O-CA 3.44Å; N574-Y610 PolarHBondContact N-O 2.64Å; N574-Y610 PolarHBondContact O-N 2.95Å
575	C	93.2	Very high	83.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.1	-168.8	-75.3	0	0	0	0	110.8	W492 S532 F607 F608	W492-C575 HydrophobicContact CG-CB 4.38Å; S532-C575 VanDerWaalsContact CB-O 3.23Å; S532-C575 WeakPolarHBondContact CB-O 3.32Å; S532-C575 PolarHBondContact OG-O 3.38Å; C575-F607 HydrophobicContact CB-CE1 4.34Å; C575-F607 HydrophobicContact CB-CE2 3.97Å; C575-F607 HydrophobicContact CB-CZ 3.46Å; C575-F607 VanDerWaalsContact CB-CZ 3.46Å; C575-F607 VanDerWaalsContact SG-CZ 3.54Å; C575-F608 WeakPolarHBondContact CA-O 3.32Å
576	I	94.7	Very high	85.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.5	177	-173.2	172	0	0	0	110.1	M452 F484 F529 F608 Y610	M452-I576 HydrophobicContact CE-CG2 3.91Å; F484-I576 HydrophobicContact CB-CD1 4.21Å; F484-I576 HydrophobicContact CD1-CD1 3.97Å; F484-I576 HydrophobicContact CD1-CG1 4.35Å; F484-I576 HydrophobicContact CG-CD1 4.32Å; F529-I576 HydrophobicContact CD1-CD1 3.54Å; F529-I576 HydrophobicContact CE1-CD1 3.68Å; F529-I576 HydrophobicContact CE1-CG2 4.14Å; F529-I576 HydrophobicContact CG-CD1 4.46Å; I576-F608 HydrophobicContact CG2-CB 3.89Å; I576-F608 HydrophobicContact CG2-CD2 4.03Å; I576-F608 HydrophobicContact CG2-CG 4.41Å; I576-F608 PolarHBondContact N-O 2.85Å; I576-F608 PolarHBondContact O-N 3.32Å; I576-Y610 HydrophobicContact CG2-CE2 3.82Å
577	A	94.9	Very high	88	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.2	172.5	0	0	0	0	0	111.6	F484 H485 W492 T604 F606	F484-A577 CarbonylContact C-O 3.53Å; F484-A577 VanDerWaalsContact CA-O 3.31Å; F484-A577 WeakPolarHBondContact CA-O 3.45Å; H485-A577 HydrophobicContact CB-CB 4.4Å; H485-A577 PolarHBondContact N-O 3.43Å; H485-A577 PolarHBondContact O-N 2.83Å; W492-A577 HydrophobicContact CH2-CB 3.45Å; W492-A577 VanDerWaalsContact CH2-CB 3.45Å; W492-A577 HydrophobicContact CZ2-CB 4.39Å; W492-A577 HydrophobicContact CZ3-CB 4.02Å; A577-T604 HydrophobicContact CB-CG2 3.72Å; A577-F606 WeakPolarHBondContact CA-O 3.39Å
578	L	95.4	Very high	89.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.2	158.8	177.8	65.4	0	0	0	107.7	L449 F482 F484 R605 F606 F608 T622 I631	L449-L578 HydrophobicContact CD1-CD2 4.35Å; F482-L578 HydrophobicContact CB-CD1 4.03Å; F482-L578 HydrophobicContact CD1-CG 4.47Å; F484-L578 HydrophobicContact CD1-CB 4.16Å; F484-L578 HydrophobicContact CD1-CD1 3.91Å; F484-L578 HydrophobicContact CE1-CB 4.19Å; F484-L578 HydrophobicContact CE1-CD1 3.89Å; F484-L578 HydrophobicContact CE1-CG 4.47Å; F484-L578 HydrophobicContact CG-CD1 4.26Å; F484-L578 HydrophobicContact CZ-CD1 4.21Å; L578-R605 PolarHBondContact O-N 3.09Å; L578-F606 HydrophobicContact CB-CB 4.14Å; L578-F606 HydrophobicContact CB-CD2 4.29Å; L578-F606 HydrophobicContact CD2-CD2 3.82Å; L578-F606 HydrophobicContact CD2-CE2 4.31Å; L578-F606 HydrophobicContact CG-CD2 4.27Å; L578-F606 PolarHBondContact N-O 3.38Å; L578-F606 PolarHBondContact O-N 3.31Å; L578-F608 HydrophobicContact CB-CE2 3.76Å; L578-F608 HydrophobicContact CB-CZ 4.36Å; L578-T622 HydrophobicContact CD1-CG2 3.7Å; L578-I631 HydrophobicContact CD2-CD1 3.74Å; L578-I631 HydrophobicContact CD2-CG1 3.85Å; L578-I631 HydrophobicContact CD2-CG2 4.32Å
579	C	94.9	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.5	-176.4	-59.1	0	0	0	0	110.5	F482 A483 L500 L521 V581 V602 C603	F482-C579 CarbonylContact C-O 3.59Å; F482-C579 VanDerWaalsContact CA-O 3.29Å; F482-C579 WeakPolarHBondContact CA-O 3.23Å; A483-C579 PolarHBondContact N-O 3.48Å; A483-C579 PolarHBondContact O-N 3.44Å; L500-C579 VanDerWaalsContact CD1-SG 3.55Å; L521-C579 HydrophobicContact CD2-CB 3.98Å; C579-V581 HydrophobicContact CB-CG2 4.24Å; C579-V602 HydrophobicContact CB-CG1 3.91Å; C579-C603 CarbonylContact C-O 3.54Å; C579-C603 VanDerWaalsContact CA-O 3.22Å; C579-C603 WeakPolarHBondContact CA-O 3.04Å
580	E	93.8	Very high	91.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.019	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.8	160.5	-160	-171.7	173.1	0	0	108.4	F471 K475 S480 T481 F482 C603 R605	F471-E580 HydrophobicContact CE1-CB 4.32Å; F471-E580 HydrophobicContact CE1-CG 4.08Å; F471-E580 WeakPolarHBondContact CE1-OE2 3.45Å; F471-E580 WeakPolarHBondContact CE2-O 3.33Å; F471-E580 HydrophobicContact CZ-CB 3.75Å; F471-E580 HydrophobicContact CZ-CG 3.7Å; K475-E580 WeakPolarHBondContact CD-OE1 3.11Å; K475-E580 WeakPolarHBondContact CE-OE1 3.43Å; K475-E580 IonicContact NZ-OE1 3.31Å; K475-E580 PolarHBondContact NZ-OE1 3.15Å; K475-E580 IonicContact NZ-OE2 2.99Å; S480-E580 WeakPolarHBondContact CB-OE1 3.38Å; S480-E580 PolarHBondContact OG-OE1 2.9Å; T481-E580 WeakPolarHBondContact O-CA 3.41Å; F482-E580 HydrophobicContact CD1-CB 4.13Å; F482-E580 HydrophobicContact CD1-CG 4.28Å; F482-E580 HydrophobicContact CE1-CB 3.8Å; F482-E580 HydrophobicContact CE1-CG 3.79Å; F482-E580 HydrophobicContact CZ-CG 4.1Å; E580-C603 PolarHBondContact N-O 3.18Å; E580-C603 PolarHBondContact O-N 3.25Å; E580-R605 HydrophobicContact CB-CG 3.71Å; E580-R605 IonicContact OE2-CZ 2.85Å; E580-R605 IonicContact OE2-NE 3.92Å; E580-R605 PolarHBondContact OE2-NE 2.87Å; E580-R605 IonicContact OE2-NH2 3.59Å; E580-R605 PolarHBondContact OE2-NH2 2.97Å
581	V	95.3	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.8	-168.8	-171.4	0	0	0	0	109.4	S480 T481 A483 L521 C579 L587 H601 V602	S480-V581 CarbonylContact C-O 3.58Å; S480-V581 VanDerWaalsContact CA-O 3.22Å; S480-V581 WeakPolarHBondContact CA-O 3.34Å; S480-V581 WeakPolarHBondContact CB-O 3.19Å; T481-V581 PolarHBondContact N-O 3.19Å; T481-V581 PolarHBondContact O-N 3.43Å; A483-V581 HydrophobicContact CB-CG2 4.18Å; L521-V581 HydrophobicContact CD1-CG1 4.13Å; L521-V581 HydrophobicContact CD1-CG2 3.86Å; L521-V581 HydrophobicContact CD2-CG2 4.13Å; C579-V581 HydrophobicContact CB-CG2 4.24Å; V581-L587 HydrophobicContact CG1-CD1 3.76Å; V581-L587 HydrophobicContact CG1-CD2 3.94Å; V581-L587 HydrophobicContact CG1-CG 4.46Å; V581-H601 WeakPolarHBondContact CA-O 3.48Å; V581-V602 HydrophobicContact CG1-CG2 4.45Å
582	I	96	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.7	179.8	-56.2	-55.5	0	0	0	110.6	F471 A474 K475 Y478 S584 H601	F471-I582 HydrophobicContact CD1-CD1 4.14Å; F471-I582 HydrophobicContact CD2-CD1 3.82Å; F471-I582 HydrophobicContact CD2-CG1 3.88Å; F471-I582 HydrophobicContact CE1-CD1 3.83Å; F471-I582 HydrophobicContact CE2-CD1 3.51Å; F471-I582 HydrophobicContact CE2-CG1 3.67Å; F471-I582 HydrophobicContact CG-CD1 4.11Å; F471-I582 HydrophobicContact CZ-CD1 3.49Å; F471-I582 VanDerWaalsContact CZ-CD1 3.49Å; F471-I582 HydrophobicContact CZ-CG1 4.16Å; A474-I582 HydrophobicContact CB-CD1 4.16Å; A474-I582 HydrophobicContact CB-CG1 3.97Å; A474-I582 HydrophobicContact CB-CG2 4.04Å; K475-I582 HydrophobicContact CB-CD1 3.78Å; Y478-I582 HydrophobicContact CD2-CG2 3.9Å; Y478-I582 HydrophobicContact CG-CG2 4.28Å; I582-S584 PolarHBondContact O-N 3Å; I582-H601 HydrophobicContact CB-CB 3.86Å; I582-H601 HydrophobicContact CG1-CB 3.96Å; I582-H601 PolarHBondContact N-O 3.14Å
583	T	94.6	Very high	94.2	Very high	55 Å²	55	38.3 Å²	38.3	34%	0.337	20%	0.201	S	C	.	.			trans	-84.4	39.3	179.9	39.5	0	0	0	0	113.5	Y478 G479 S480 T481 L587	Y478-T583 PolarHBondContact O-OG1 2.72Å; G479-T583 PolarHBondContact O-N 3.25Å; G479-T583 VanDerWaalsContact O-N 3.14Å; G479-T583 PolarHBondContact O-OG1 3.38Å; S480-T583 PolarHBondContact N-OG1 2.88Å; T481-T583 HydrophobicContact CG2-CG2 3.68Å; T583-L587 HydrophobicContact CG2-CD2 4.44Å
584	S	92.6	Very high	94.5	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.049	20%	0.201	C	C	.	.	S	Bend	trans	-69.3	163.8	172.5	65.5	0	0	0	0	112.1	I582 D586 L587 H601	I582-S584 PolarHBondContact O-N 3Å; S584-D586 PolarHBondContact O-N 2.79Å; S584-D586 PolarHBondContact OG-N 3.38Å; S584-D586 PolarHBondContact OG-OD2 2.75Å; S584-L587 WeakPolarHBondContact O-CB 3.5Å; S584-L587 PolarHBondContact O-N 2.94Å; S584-H601 PolarHBondContact OG-CE1 2.77Å; S584-H601 PolarHBondContact OG-ND1 3.47Å
585	K	91.6	Very high	94.7	Very high	194 Å²	194	37.7 Å²	37.7	84%	0.843	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.9	171.9	67.1	-179.9	-177.8	179	0	114.7	L587	K585-L587 VanDerWaalsContact C-N 3.33Å
586	D	91.6	Very high	94.9	Very high	53 Å²	53	37.7 Å²	37.7	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.4	-178.7	-45.3	-66.3	0	0	0	112.4	S584 Q588 P597 V598 H601	S584-D586 PolarHBondContact O-N 2.79Å; S584-D586 PolarHBondContact OG-N 3.38Å; S584-D586 PolarHBondContact OG-OD2 2.75Å; D586-Q588 PolarHBondContact O-N 2.79Å; D586-P597 HydrophobicContact CB-CG 4.04Å; D586-P597 WeakPolarHBondContact O-CD 3.48Å; D586-V598 HydrophobicContact CB-CG2 4.46Å; D586-H601 IonicContact OD2-CE1 3.9Å
587	L	96.3	Very high	94.8	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	21%	0.209	C	C	.	.			trans	-78.2	98.3	176.2	-179.7	63.7	0	0	0	110.3	V581 T583 S584 K585 K589 W594 C596	V581-L587 HydrophobicContact CG1-CD1 3.76Å; V581-L587 HydrophobicContact CG1-CD2 3.94Å; V581-L587 HydrophobicContact CG1-CG 4.46Å; T583-L587 HydrophobicContact CG2-CD2 4.44Å; S584-L587 WeakPolarHBondContact O-CB 3.5Å; S584-L587 PolarHBondContact O-N 2.94Å; K585-L587 VanDerWaalsContact C-N 3.33Å; L587-K589 HydrophobicContact CG-CG 4.43Å; L587-W594 HydrophobicContact CD1-CB 4.24Å; L587-W594 HydrophobicContact CD2-CE3 4.26Å; L587-C596 HydrophobicContact CD1-CB 4.04Å
588	Q	96.1	Very high	94.7	Very high	85 Å²	85	42.1 Å²	42.1	40%	0.397	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.2	-179.9	-61.5	172.7	7.5	0	0	109.6	Y515 D586 W594 V595	Y515-Q588 PolarHBondContact O-OE1 3.31Å; D586-Q588 PolarHBondContact O-N 2.79Å; Q588-W594 CarbonylContact O-C 3.55Å; Q588-W594 VanDerWaalsContact O-CA 3.24Å; Q588-W594 WeakPolarHBondContact O-CA 3.38Å; Q588-V595 HydrophobicContact CB-CB 4.38Å; Q588-V595 PolarHBondContact N-O 3.07Å; Q588-V595 PolarHBondContact O-N 2.75Å
589	K	95.6	Very high	94.3	Very high	107 Å²	107	43.6 Å²	43.6	47%	0.465	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.8	-177.9	-61.9	-172.5	-179.8	-178.9	0	110.7	L587 W594	L587-K589 HydrophobicContact CG-CG 4.43Å; K589-W594 HydrophobicContact CB-CG 4.43Å; K589-W594 HydrophobicContact CD-CD2 4.29Å; K589-W594 HydrophobicContact CD-CZ2 4.07Å; K589-W594 HydrophobicContact CG-CD2 4.09Å; K589-W594 HydrophobicContact CG-CG 3.93Å
590	H	94.3	Very high	93.9	Very high	77 Å²	77	45.2 Å²	45.2	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	75.1	176.9	-59.7	-86	0	0	0	108.7	Y515 N592 I593	Y515-H590 HydrophobicContact CD1-CB 3.72Å; Y515-H590 AromaticContact CD1-CD2 3.95Å; Y515-H590 AromaticContact CD1-CG 3.46Å; Y515-H590 VanDerWaalsContact CD1-CG 3.46Å; Y515-H590 AromaticContact CD1-ND1 3.64Å; Y515-H590 HydrophobicContact CD2-CB 4.38Å; Y515-H590 HydrophobicContact CE1-CB 3.85Å; Y515-H590 HydrophobicContact CG-CB 4Å; Y515-H590 AromaticContact CG-CD2 3.89Å; Y515-H590 AromaticContact CG-CG 3.79Å; H590-N592 PolarHBondContact O-N 3.33Å; H590-I593 CarbonylContact C-O 3.4Å; H590-I593 WeakPolarHBondContact CA-O 3.22Å; H590-I593 WeakPolarHBondContact CB-O 3.43Å; H590-I593 PolarHBondContact N-O 3.27Å; H590-I593 PolarHBondContact O-N 2.9Å; H590-I593 VanDerWaalsContact O-N 3.08Å
591	G	93.1	Very high	93.9	Very high	58 Å²	58	46.2 Å²	46.2	60%	0.598	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	-116.7	-169.8	0	0	0	0	0	111.3	I593 W594	G591-I593 VanDerWaalsContact C-N 3.34Å; G591-W594 PolarHBondContact O-NE1 2.97Å; G591-W594 VanDerWaalsContact O-NE1 3.11Å
592	N	94.4	Very high	93.7	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4.2	179.6	-62.8	-22.7	0	0	0	113.9	S522 P523 I524 I527 H590	S522-N592 WeakPolarHBondContact CA-O 3.08Å; S522-N592 WeakPolarHBondContact CB-O 3.34Å; S522-N592 PolarHBondContact OG-O 3.26Å; P523-N592 WeakPolarHBondContact CD-O 3.35Å; I524-N592 HydrophobicContact CG1-CB 4.01Å; I527-N592 HydrophobicContact CD1-CB 3.54Å; H590-N592 PolarHBondContact O-N 3.33Å
593	I	96.4	Very high	93.3	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.1	174.1	-62.1	170.1	0	0	0	108.4	Y515 Y520 I527 H590 G591	Y515-I593 HydrophobicContact CD2-CB 4.27Å; Y515-I593 HydrophobicContact CD2-CG2 3.72Å; Y515-I593 HydrophobicContact CE2-CB 4.14Å; Y515-I593 HydrophobicContact CE2-CD1 3.8Å; Y515-I593 HydrophobicContact CE2-CG2 4Å; Y520-I593 HydrophobicContact CD1-CG2 3.91Å; Y520-I593 HydrophobicContact CE1-CG2 4.31Å; I527-I593 HydrophobicContact CG2-CG1 4.47Å; H590-I593 CarbonylContact C-O 3.4Å; H590-I593 WeakPolarHBondContact CA-O 3.22Å; H590-I593 WeakPolarHBondContact CB-O 3.43Å; H590-I593 PolarHBondContact N-O 3.27Å; H590-I593 PolarHBondContact O-N 2.9Å; H590-I593 VanDerWaalsContact O-N 3.08Å; G591-I593 VanDerWaalsContact C-N 3.34Å
594	W	97.4	Very high	93.1	Very high	9 Å²	9	44.4 Å²	44.4	3%	0.034	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.4	-178.2	-58.6	-4.6	0	0	0	110.3	T481 A483 Y520 L521 P523 L587 Q588 K589 G591 Q623	T481-W594 HydrophobicContact CG2-CH2 3.91Å; T481-W594 HydrophobicContact CG2-CZ3 3.6Å; A483-W594 HydrophobicContact CB-CE3 3.91Å; A483-W594 HydrophobicContact CB-CZ3 3.88Å; Y520-W594 WeakPolarHBondContact CA-O 3.28Å; L521-W594 HydrophobicContact CB-CB 4.23Å; L521-W594 PolarHBondContact N-O 3.14Å; L521-W594 PolarHBondContact O-N 3.08Å; P523-W594 HydrophobicContact CB-CH2 4.19Å; P523-W594 HydrophobicContact CB-CZ2 3.95Å; P523-W594 HydrophobicContact CG-CH2 4.49Å; P523-W594 HydrophobicContact CG-CZ2 3.79Å; L587-W594 HydrophobicContact CD1-CB 4.24Å; L587-W594 HydrophobicContact CD2-CE3 4.26Å; Q588-W594 CarbonylContact O-C 3.55Å; Q588-W594 VanDerWaalsContact O-CA 3.24Å; Q588-W594 WeakPolarHBondContact O-CA 3.38Å; K589-W594 HydrophobicContact CB-CG 4.43Å; K589-W594 HydrophobicContact CD-CD2 4.29Å; K589-W594 HydrophobicContact CD-CZ2 4.07Å; K589-W594 HydrophobicContact CG-CD2 4.09Å; K589-W594 HydrophobicContact CG-CG 3.93Å; G591-W594 PolarHBondContact O-NE1 2.97Å; G591-W594 VanDerWaalsContact O-NE1 3.11Å; W594-Q623 HydrophobicContact CH2-CG 4.21Å; W594-Q623 HydrophobicContact CZ2-CG 4.27Å
595	V	97.3	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.6	-179	-177.5	0	0	0	0	108.9	I519 Y520 Q588	I519-V595 WeakPolarHBondContact O-CA 3.39Å; Y520-V595 HydrophobicContact CD1-CG2 3.99Å; Y520-V595 HydrophobicContact CD2-CG1 4.49Å; Y520-V595 HydrophobicContact CD2-CG2 4.26Å; Y520-V595 HydrophobicContact CE1-CG2 3.65Å; Y520-V595 HydrophobicContact CE2-CG1 4.02Å; Y520-V595 HydrophobicContact CE2-CG2 3.91Å; Y520-V595 HydrophobicContact CG-CG2 4.27Å; Q588-V595 HydrophobicContact CB-CB 4.38Å; Q588-V595 PolarHBondContact N-O 3.07Å; Q588-V595 PolarHBondContact O-N 2.75Å
596	C	96.5	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.7	175.9	-165.6	0	0	0	0	110	G518 I519 L521 L587 V598 V602	G518-C596 CarbonylContact C-O 3.19Å; G518-C596 VanDerWaalsContact CA-O 3.31Å; G518-C596 WeakPolarHBondContact CA-O 3.3Å; I519-C596 PolarHBondContact N-O 3.01Å; I519-C596 PolarHBondContact O-N 3.1Å; L521-C596 HydrophobicContact CD1-CB 4.1Å; L587-C596 HydrophobicContact CD1-CB 4.04Å; C596-V598 VanDerWaalsContact C-N 3.34Å; C596-V602 HydrophobicContact CB-CG2 3.68Å
597	P	93.8	Very high	92.9	Very high	41 Å²	41	33.3 Å²	33.3	27%	0.266	19%	0.185	S	C	.	.			trans	-73.2	-26.6	-177.6	27.5	-32.2	0	0	0	113	N502 K517 D586	N502-P597 PolarHBondContact ND2-O 3.39Å; K517-P597 WeakPolarHBondContact O-CA 3.31Å; K517-P597 WeakPolarHBondContact O-CB 3.41Å; D586-P597 HydrophobicContact CB-CG 4.04Å; D586-P597 WeakPolarHBondContact O-CD 3.48Å
598	V	91.4	Very high	92.8	Very high	53 Å²	53	32.6 Å²	32.6	32%	0.321	18%	0.181	S	C	.	.			trans	-94.4	108.4	-175.9	-178	0	0	0	0	110.1	D586 C596 D600 H601	D586-V598 HydrophobicContact CB-CG2 4.46Å; C596-V598 VanDerWaalsContact C-N 3.34Å; V598-D600 HydrophobicContact CG1-CB 4.24Å; V598-D600 PolarHBondContact O-N 3.24Å; V598-D600 VanDerWaalsContact O-N 3.13Å; V598-H601 HydrophobicContact CB-CB 4.17Å; V598-H601 HydrophobicContact CG1-CB 4.33Å; V598-H601 WeakPolarHBondContact O-CB 3.45Å; V598-H601 PolarHBondContact O-N 3.22Å
599	S	88.3	Confident	92.7	Very high	30 Å²	30	28.6 Å²	28.6	21%	0.21	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.2	-178.6	-50.9	0	0	0	0	113.9	K467 N502 H601 V602	K467-S599 WeakPolarHBondContact CE-O 3.42Å; K467-S599 PolarHBondContact NZ-O 2.81Å; N502-S599 PolarHBondContact N-OG 3.26Å; S599-H601 VanDerWaalsContact C-N 3.3Å; S599-V602 PolarHBondContact O-N 3.46Å
600	D	86.7	Confident	92.5	Very high	35 Å²	35	23.5 Å²	23.5	19%	0.187	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11.4	177.8	-72.4	-12.7	0	0	0	113.9	K467 R470 F471 V598 V602	K467-D600 WeakPolarHBondContact CE-OD1 3.48Å; K467-D600 WeakPolarHBondContact CG-OD1 3.4Å; R470-D600 IonicContact CZ-OD2 2.67Å; R470-D600 IonicContact NE-OD2 2.79Å; R470-D600 PolarHBondContact NE-OD2 2.9Å; R470-D600 IonicContact NH2-OD1 2.63Å; R470-D600 PolarHBondContact NH2-OD1 3.44Å; R470-D600 IonicContact NH2-OD2 3.84Å; R470-D600 PolarHBondContact NH2-OD2 2.89Å; F471-D600 WeakPolarHBondContact CD2-O 3.34Å; V598-D600 HydrophobicContact CG1-CB 4.24Å; V598-D600 PolarHBondContact O-N 3.24Å; V598-D600 VanDerWaalsContact O-N 3.13Å; D600-V602 VanDerWaalsContact C-N 3.3Å
601	H	92	Very high	92.2	Very high	25 Å²	25	20.4 Å²	20.4	12%	0.116	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-88.5	4.5	173.3	-73.3	-172	0	0	0	112.8	V581 I582 S584 D586 V598 S599	V581-H601 WeakPolarHBondContact CA-O 3.48Å; I582-H601 HydrophobicContact CB-CB 3.86Å; I582-H601 HydrophobicContact CG1-CB 3.96Å; I582-H601 PolarHBondContact N-O 3.14Å; S584-H601 PolarHBondContact OG-CE1 2.77Å; S584-H601 PolarHBondContact OG-ND1 3.47Å; D586-H601 IonicContact OD2-CE1 3.9Å; V598-H601 HydrophobicContact CB-CB 4.17Å; V598-H601 HydrophobicContact CG1-CB 4.33Å; V598-H601 WeakPolarHBondContact O-CB 3.45Å; V598-H601 PolarHBondContact O-N 3.22Å; S599-H601 VanDerWaalsContact C-N 3.3Å
602	V	91.4	Very high	91.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119	178.4	-172.2	0	0	0	0	110.1	K467 L500 I519 L521 C579 V581 C596 S599 D600	K467-V602 PolarHBondContact NZ-O 3Å; K467-V602 VanDerWaalsContact NZ-O 3.1Å; L500-V602 HydrophobicContact CD1-CG1 3.96Å; I519-V602 HydrophobicContact CB-CG2 4.46Å; I519-V602 HydrophobicContact CD1-CB 4.1Å; I519-V602 HydrophobicContact CD1-CG2 3.93Å; L521-V602 HydrophobicContact CD1-CG1 4.34Å; L521-V602 HydrophobicContact CD1-CG2 3.97Å; L521-V602 HydrophobicContact CD2-CG1 4.38Å; C579-V602 HydrophobicContact CB-CG1 3.91Å; V581-V602 HydrophobicContact CG1-CG2 4.45Å; C596-V602 HydrophobicContact CB-CG2 3.68Å; S599-V602 PolarHBondContact O-N 3.46Å; D600-V602 VanDerWaalsContact C-N 3.3Å
603	C	88.3	Confident	90.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	173	-171.9	0	0	0	0	110.4	S463 F471 C579 E580 R605	S463-C603 PolarHBondContact OG-SG 2.92Å; F471-C603 HydrophobicContact CD1-CB 4.44Å; F471-C603 HydrophobicContact CD2-CB 3.84Å; F471-C603 HydrophobicContact CE1-CB 4.43Å; F471-C603 HydrophobicContact CE2-CB 3.8Å; F471-C603 HydrophobicContact CG-CB 4.18Å; F471-C603 HydrophobicContact CZ-CB 4.13Å; C579-C603 CarbonylContact C-O 3.54Å; C579-C603 VanDerWaalsContact CA-O 3.22Å; C579-C603 WeakPolarHBondContact CA-O 3.04Å; E580-C603 PolarHBondContact N-O 3.18Å; E580-C603 PolarHBondContact O-N 3.25Å; C603-R605 PolarHBondContact O-N 2.9Å; C603-R605 VanDerWaalsContact SG-CZ 3.6Å; C603-R605 PolarHBondContact SG-NH1 2.69Å; C603-R605 VanDerWaalsContact SG-NH1 3.36Å
604	T	89.5	Confident	90	Very high	15 Å²	15	21.4 Å²	21.4	9%	0.092	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.1	169.5	-57.5	0	0	0	0	109.2	L460 A577 F606	L460-T604 HydrophobicContact CD2-CG2 3.59Å; A577-T604 HydrophobicContact CB-CG2 3.72Å; T604-F606 WeakPolarHBondContact CG2-O 3.49Å
605	R	87.9	Confident	89.2	Confident	20 Å²	20	24.1 Å²	24.1	8%	0.075	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-39.1	176.8	-66.9	-60.7	-173.8	-154.3	-3.9	112	L459 L460 E468 F482 L578 E580 C603	L459-R605 WeakPolarHBondContact CD1-O 3.37Å; L460-R605 PolarHBondContact N-O 3.19Å; E468-R605 VanDerWaalsContact CD-NH1 3.34Å; E468-R605 IonicContact OE1-CZ 3.75Å; E468-R605 IonicContact OE1-NH1 3.9Å; E468-R605 PolarHBondContact OE1-NH1 2.88Å; E468-R605 IonicContact OE1-NH2 3.86Å; E468-R605 PolarHBondContact OE1-NH2 3.02Å; E468-R605 IonicContact OE2-CZ 3.57Å; E468-R605 IonicContact OE2-NH1 3.81Å; E468-R605 PolarHBondContact OE2-NH1 2.82Å; E468-R605 IonicContact OE2-NH2 3.04Å; E468-R605 PolarHBondContact OE2-NH2 3.38Å; F482-R605 HydrophobicContact CE1-CG 4.37Å; L578-R605 PolarHBondContact O-N 3.09Å; E580-R605 HydrophobicContact CB-CG 3.71Å; E580-R605 IonicContact OE2-CZ 2.85Å; E580-R605 IonicContact OE2-NE 3.92Å; E580-R605 PolarHBondContact OE2-NE 2.87Å; E580-R605 IonicContact OE2-NH2 3.59Å; E580-R605 PolarHBondContact OE2-NH2 2.97Å; C603-R605 PolarHBondContact O-N 2.9Å; C603-R605 VanDerWaalsContact SG-CZ 3.6Å; C603-R605 PolarHBondContact SG-NH1 2.69Å; C603-R605 VanDerWaalsContact SG-NH1 3.36Å
606	F	91.8	Very high	88.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154	175.4	-54.3	-101.4	0	0	0	111.6	L443 L449 F458 L459 A577 L578 T604 F608 I631 V634 I635	L443-F606 HydrophobicContact CD1-CD1 3.9Å; L443-F606 HydrophobicContact CD1-CE1 3.94Å; L449-F606 HydrophobicContact CD1-CD1 3.9Å; L449-F606 HydrophobicContact CD1-CD2 4.42Å; L449-F606 HydrophobicContact CD1-CE1 3.86Å; L449-F606 HydrophobicContact CD1-CE2 4.41Å; L449-F606 HydrophobicContact CD1-CG 4.18Å; L449-F606 HydrophobicContact CD1-CZ 4.12Å; L449-F606 HydrophobicContact CG-CE1 4.47Å; F458-F606 CarbonylContact O-C 3.5Å; F458-F606 VanDerWaalsContact O-CA 3.31Å; F458-F606 WeakPolarHBondContact O-CA 3.49Å; L459-F606 HydrophobicContact CD1-CD1 3.91Å; L459-F606 HydrophobicContact CD1-CE1 3.6Å; L459-F606 HydrophobicContact CD1-CE2 4.44Å; L459-F606 HydrophobicContact CD1-CG 4.47Å; L459-F606 HydrophobicContact CD1-CZ 3.9Å; A577-F606 WeakPolarHBondContact CA-O 3.39Å; L578-F606 HydrophobicContact CB-CB 4.14Å; L578-F606 HydrophobicContact CB-CD2 4.29Å; L578-F606 HydrophobicContact CD2-CD2 3.82Å; L578-F606 HydrophobicContact CD2-CE2 4.31Å; L578-F606 HydrophobicContact CG-CD2 4.27Å; L578-F606 PolarHBondContact N-O 3.38Å; L578-F606 PolarHBondContact O-N 3.31Å; T604-F606 WeakPolarHBondContact CG2-O 3.49Å; F606-F608 HydrophobicContact CB-CD2 4.48Å; F606-F608 HydrophobicContact CB-CE1 4.13Å; F606-F608 HydrophobicContact CB-CE2 3.53Å; F606-F608 HydrophobicContact CB-CZ 3.32Å; F606-F608 HydrophobicContact CD1-CZ 4.3Å; F606-F608 AromaticContact CG-CZ 3.95Å; F606-F608 HydrophobicContact CG-CZ 3.95Å; F606-I631 HydrophobicContact CE2-CG2 3.82Å; F606-I631 HydrophobicContact CZ-CG2 4.37Å; F606-V634 HydrophobicContact CE1-CB 4.2Å; F606-V634 HydrophobicContact CE1-CG1 3.64Å; F606-V634 HydrophobicContact CZ-CB 4.14Å; F606-V634 HydrophobicContact CZ-CG1 4.01Å; F606-I635 HydrophobicContact CE2-CD1 3.94Å; F606-I635 HydrophobicContact CE2-CG1 3.9Å; F606-I635 HydrophobicContact CZ-CD1 4.31Å; F606-I635 HydrophobicContact CZ-CG1 3.76Å
607	F	93.1	Very high	87.7	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132	176.3	-169.7	-104.3	0	0	0	109.6	L348 M352 F458 L460 W492 C575 V609	L348-F607 HydrophobicContact CD1-CE1 4.42Å; L348-F607 HydrophobicContact CD2-CD1 4.05Å; L348-F607 HydrophobicContact CD2-CE1 3.96Å; M352-F607 HydrophobicContact CE-CD1 4.31Å; M352-F607 HydrophobicContact CE-CE1 3.21Å; M352-F607 HydrophobicContact CE-CE2 4.3Å; M352-F607 HydrophobicContact CE-CZ 3.19Å; F458-F607 HydrophobicContact CB-CB 4.41Å; F458-F607 HydrophobicContact CD2-CD1 4.35Å; F458-F607 PolarHBondContact N-O 3.2Å; F458-F607 PolarHBondContact O-N 3.31Å; L460-F607 HydrophobicContact CD1-CB 3.54Å; W492-F607 HydrophobicContact CD2-CD2 4.5Å; W492-F607 AromaticContact CD2-CE2 3.43Å; W492-F607 HydrophobicContact CD2-CE2 3.43Å; W492-F607 VanDerWaalsContact CD2-CE2 3.43Å; W492-F607 AromaticContact CD2-CZ 3.92Å; W492-F607 HydrophobicContact CD2-CZ 3.92Å; W492-F607 AromaticContact CE2-CE2 3.7Å; W492-F607 HydrophobicContact CE3-CD2 4.08Å; W492-F607 AromaticContact CE3-CE2 3.39Å; W492-F607 HydrophobicContact CE3-CE2 3.39Å; W492-F607 HydrophobicContact CE3-CZ 4.18Å; W492-F607 HydrophobicContact CG-CE2 4.07Å; W492-F607 HydrophobicContact CG-CZ 4.06Å; W492-F607 HydrophobicContact CH2-CD2 4.35Å; W492-F607 AromaticContact CH2-CE2 3.95Å; W492-F607 HydrophobicContact CH2-CE2 3.95Å; W492-F607 AromaticContact CZ2-CE2 3.96Å; W492-F607 HydrophobicContact CZ2-CE2 3.96Å; W492-F607 HydrophobicContact CZ3-CD2 4Å; W492-F607 AromaticContact CZ3-CE2 3.67Å; W492-F607 HydrophobicContact CZ3-CE2 3.67Å; C575-F607 HydrophobicContact CB-CE1 4.34Å; C575-F607 HydrophobicContact CB-CE2 3.97Å; C575-F607 HydrophobicContact CB-CZ 3.46Å; C575-F607 VanDerWaalsContact CB-CZ 3.46Å; C575-F607 VanDerWaalsContact SG-CZ 3.54Å; F607-V609 HydrophobicContact CD1-CG2 4.01Å; F607-V609 HydrophobicContact CE1-CG2 3.62Å
608	F	94	Very high	86.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.2	-175	-46.4	-89.2	0	0	0	109.6	L449 M452 T454 Q457 C575 I576 L578 F606 Y610	L449-F608 HydrophobicContact CD1-CE1 4.03Å; L449-F608 HydrophobicContact CD1-CZ 3.75Å; M452-F608 HydrophobicContact CB-CD1 3.93Å; M452-F608 HydrophobicContact CB-CE1 4.1Å; M452-F608 HydrophobicContact CE-CB 4.04Å; M452-F608 HydrophobicContact CE-CD1 4.08Å; M452-F608 HydrophobicContact CE-CD2 3.46Å; M452-F608 VanDerWaalsContact CE-CD2 3.46Å; M452-F608 HydrophobicContact CE-CE1 4.42Å; M452-F608 HydrophobicContact CE-CE2 3.83Å; M452-F608 HydrophobicContact CE-CG 3.58Å; M452-F608 HydrophobicContact CE-CZ 4.29Å; M452-F608 HydrophobicContact CG-CD1 3.83Å; M452-F608 HydrophobicContact CG-CE1 3.6Å; M452-F608 HydrophobicContact CG-CE2 4.4Å; M452-F608 HydrophobicContact CG-CG 4.32Å; M452-F608 HydrophobicContact CG-CZ 3.89Å; T454-F608 HydrophobicContact CG2-CB 4.11Å; Q457-F608 HydrophobicContact CB-CD1 3.96Å; Q457-F608 HydrophobicContact CB-CE1 4.19Å; Q457-F608 HydrophobicContact CG-CD1 3.89Å; Q457-F608 HydrophobicContact CG-CE1 4.29Å; C575-F608 WeakPolarHBondContact CA-O 3.32Å; I576-F608 HydrophobicContact CG2-CB 3.89Å; I576-F608 HydrophobicContact CG2-CD2 4.03Å; I576-F608 HydrophobicContact CG2-CG 4.41Å; I576-F608 PolarHBondContact N-O 2.85Å; I576-F608 PolarHBondContact O-N 3.32Å; L578-F608 HydrophobicContact CB-CE2 3.76Å; L578-F608 HydrophobicContact CB-CZ 4.36Å; F606-F608 HydrophobicContact CB-CD2 4.48Å; F606-F608 HydrophobicContact CB-CE1 4.13Å; F606-F608 HydrophobicContact CB-CE2 3.53Å; F606-F608 HydrophobicContact CB-CZ 3.32Å; F606-F608 HydrophobicContact CD1-CZ 4.3Å; F606-F608 AromaticContact CG-CZ 3.95Å; F606-F608 HydrophobicContact CG-CZ 3.95Å; F608-Y610 HydrophobicContact CB-CE2 4Å
609	V	92.9	Very high	86.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.1	-179.7	-173.2	0	0	0	0	108.9	L348 T454 H456 F458 L568 L573 N574 F607	L348-V609 HydrophobicContact CD1-CG1 4.39Å; L348-V609 HydrophobicContact CD1-CG2 3.62Å; L348-V609 HydrophobicContact CD2-CG2 4.04Å; L348-V609 HydrophobicContact CG-CG2 4.49Å; T454-V609 WeakPolarHBondContact CB-O 3.31Å; T454-V609 PolarHBondContact OG1-O 2.9Å; H456-V609 HydrophobicContact CB-CB 3.83Å; H456-V609 PolarHBondContact O-N 2.84Å; F458-V609 HydrophobicContact CD2-CG2 4.34Å; F458-V609 HydrophobicContact CE2-CG2 3.86Å; L568-V609 HydrophobicContact CD2-CG1 3.98Å; L573-V609 HydrophobicContact CB-CG1 4.43Å; L573-V609 HydrophobicContact CD2-CG1 4.13Å; N574-V609 WeakPolarHBondContact O-CA 3.44Å; F607-V609 HydrophobicContact CD1-CG2 4.01Å; F607-V609 HydrophobicContact CE1-CG2 3.62Å
610	Y	91.6	Very high	86.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.1	178.7	-66.3	-88.1	0	0	0	109.5	M452 T454 F529 M534 L573 N574 I576 F608 Q614 G616	M452-Y610 HydrophobicContact CE-CE2 4.44Å; M452-Y610 VanDerWaalsContact CE-OH 3.23Å; M452-Y610 WeakPolarHBondContact CE-OH 3.33Å; M452-Y610 WeakPolarHBondContact O-CE1 3.45Å; M452-Y610 VanDerWaalsContact O-CZ 3.29Å; M452-Y610 PolarHBondContact O-OH 3.11Å; T454-Y610 HydrophobicContact CG2-CD1 4.28Å; T454-Y610 HydrophobicContact CG2-CE1 3.8Å; T454-Y610 HydrophobicContact CG2-CE2 4.29Å; F529-Y610 HydrophobicContact CE1-CE2 4.18Å; M534-Y610 HydrophobicContact CE-CD1 4.11Å; M534-Y610 HydrophobicContact CE-CD2 3.28Å; M534-Y610 HydrophobicContact CE-CE1 4.48Å; M534-Y610 HydrophobicContact CE-CE2 3.73Å; M534-Y610 HydrophobicContact CE-CG 3.48Å; M534-Y610 VanDerWaalsContact CE-CG 3.48Å; M534-Y610 HydrophobicContact SD-CD2 4.18Å; L573-Y610 CarbonylContact C-O 3.48Å; L573-Y610 VanDerWaalsContact CA-O 3.31Å; L573-Y610 WeakPolarHBondContact CA-O 3.27Å; N574-Y610 PolarHBondContact N-O 2.64Å; N574-Y610 PolarHBondContact O-N 2.95Å; I576-Y610 HydrophobicContact CG2-CE2 3.82Å; F608-Y610 HydrophobicContact CB-CE2 4Å; Y610-Q614 WeakPolarHBondContact CB-O 3.33Å; Y610-Q614 HydrophobicContact CD1-CB 3.97Å; Y610-G616 VanDerWaalsContact CE1-N 3.31Å; Y610-G616 PolarHBondContact OH-N 3.12Å
611	E	87.8	Confident	87.1	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.5	-178.7	-48.6	-158.1	66.8	0	0	110.6	H456 Q569 S570 L573 G613 Q614	H456-E611 IonicContact CD2-OE2 3.47Å; H456-E611 IonicContact CE1-OE2 3.98Å; H456-E611 IonicContact NE2-OE2 3.64Å; H456-E611 PolarHBondContact NE2-OE2 2.92Å; Q569-E611 PolarHBondContact N-OE1 3.23Å; Q569-E611 PolarHBondContact N-OE2 3.25Å; S570-E611 PolarHBondContact N-OE1 2.82Å; L573-E611 HydrophobicContact CD2-CB 4.33Å; L573-E611 HydrophobicContact CD2-CG 3.76Å; E611-G613 VanDerWaalsContact C-N 3.28Å; E611-G613 PolarHBondContact O-N 3.31Å; E611-G613 VanDerWaalsContact O-N 3.09Å; E611-Q614 VanDerWaalsContact O-CB 3.3Å; E611-Q614 WeakPolarHBondContact O-CB 3.44Å; E611-Q614 WeakPolarHBondContact O-CG 3.49Å; E611-Q614 PolarHBondContact O-N 3.27Å
612	D	82.8	Confident	87.2	Confident	94 Å²	94	30.6 Å²	30.6	50%	0.503	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	38.5	168	-66.3	-32	0	0	0	115.9	S570 N572 Q614	S570-D612 VanDerWaalsContact CB-OD1 3.28Å; S570-D612 WeakPolarHBondContact CB-OD1 3.49Å; S570-D612 WeakPolarHBondContact CB-OD2 3.5Å; S570-D612 VanDerWaalsContact OG-CG 3.31Å; S570-D612 PolarHBondContact OG-OD1 3.35Å; N572-D612 PolarHBondContact O-N 3.34Å; D612-Q614 VanDerWaalsContact C-N 3.34Å
613	G	74.4	Confident	87.4	Confident	16 Å²	16	33.7 Å²	33.7	17%	0.165	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	11.7	177.9	0	0	0	0	0	115	E611	E611-G613 VanDerWaalsContact C-N 3.28Å; E611-G613 PolarHBondContact O-N 3.31Å; E611-G613 VanDerWaalsContact O-N 3.09Å
614	Q	81.6	Confident	87.8	Confident	96 Å²	96	37.7 Å²	37.7	45%	0.449	21%	0.206	S	C	.	.			trans	-56.2	150.7	164.3	-70	168.1	15.7	0	0	111.1	M534 Y610 E611 D612	M534-Q614 VanDerWaalsContact CE-O 3.22Å; M534-Q614 WeakPolarHBondContact CE-O 3.49Å; Y610-Q614 WeakPolarHBondContact CB-O 3.33Å; Y610-Q614 HydrophobicContact CD1-CB 3.97Å; E611-Q614 VanDerWaalsContact O-CB 3.3Å; E611-Q614 WeakPolarHBondContact O-CB 3.44Å; E611-Q614 WeakPolarHBondContact O-CG 3.49Å; E611-Q614 PolarHBondContact O-N 3.27Å; D612-Q614 VanDerWaalsContact C-N 3.34Å
615	V	80.6	Confident	87.9	Confident	66 Å²	66	42 Å²	42	40%	0.4	23%	0.234	S	C	.	.			trans	-148.8	146.5	178	63.1	0	0	0	0	109.5	F529 M534	F529-V615 HydrophobicContact CB-CG2 4.37Å; F529-V615 HydrophobicContact CD1-CG2 4.08Å; F529-V615 HydrophobicContact CD2-CG2 3.35Å; F529-V615 HydrophobicContact CE1-CG2 4.15Å; F529-V615 HydrophobicContact CE2-CG2 3.46Å; F529-V615 VanDerWaalsContact CE2-CG2 3.46Å; F529-V615 HydrophobicContact CG-CG2 3.71Å; F529-V615 HydrophobicContact CZ-CG2 3.88Å; M534-V615 HydrophobicContact CE-CB 3.92Å; M534-V615 HydrophobicContact CE-CG2 3.82Å
616	G	78.4	Confident	88.1	Confident	6 Å²	6	49 Å²	49	6%	0.062	27%	0.265	C	S	.	.			trans	-76.9	-172.3	173.4	0	0	0	0	0	112.4	M452 F529 Y610 A618	M452-G616 WeakPolarHBondContact O-CA 3.25Å; F529-G616 WeakPolarHBondContact CE2-O 3.48Å; Y610-G616 VanDerWaalsContact CE1-N 3.31Å; Y610-G616 PolarHBondContact OH-N 3.12Å; G616-A618 PolarHBondContact O-N 3.09Å
617	D	82.9	Confident	88.2	Confident	67 Å²	67	49.3 Å²	49.3	36%	0.358	27%	0.267	S	S	.	.			trans	-61.6	122.4	179.6	-75.4	-29.7	0	0	0	111	F451 H453 S525 N619 I620	F451-D617 WeakPolarHBondContact O-CB 3.39Å; F451-D617 PolarHBondContact O-N 3.39Å; F451-D617 VanDerWaalsContact O-N 3.11Å; H453-D617 VanDerWaalsContact CD2-CG 3.49Å; H453-D617 IonicContact CD2-OD1 3.58Å; H453-D617 PolarHBondContact CD2-OD1 2.68Å; H453-D617 VanDerWaalsContact CD2-OD1 3.31Å; H453-D617 IonicContact CD2-OD2 3.48Å; H453-D617 IonicContact CE1-OD2 3.38Å; H453-D617 IonicContact NE2-OD1 2.72Å; H453-D617 PolarHBondContact NE2-OD1 3.13Å; H453-D617 IonicContact NE2-OD2 2.64Å; H453-D617 PolarHBondContact NE2-OD2 3.41Å; S525-D617 PolarHBondContact OG-O 3.26Å; D617-N619 VanDerWaalsContact C-N 3.29Å; D617-N619 PolarHBondContact O-N 3.39Å; D617-I620 HydrophobicContact CB-CD1 3.65Å; D617-I620 HydrophobicContact CB-CG1 3.45Å; D617-I620 VanDerWaalsContact CB-CG1 3.45Å; D617-I620 WeakPolarHBondContact O-CG1 3.14Å
618	A	77.8	Confident	88.1	Confident	47 Å²	47	52.4 Å²	52.4	39%	0.388	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.9	-173.8	0	0	0	0	0	114.3	S525 S526 G616	S525-A618 VanDerWaalsContact OG-C 3.29Å; S525-A618 PolarHBondContact OG-O 3.27Å; S526-A618 WeakPolarHBondContact CB-O 3.5Å; S526-A618 PolarHBondContact N-O 2.55Å; S526-A618 PolarHBondContact OG-O 3.03Å; G616-A618 PolarHBondContact O-N 3.09Å
619	N	82.5	Confident	87.8	Confident	137 Å²	137	60.3 Å²	60.3	73%	0.733	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	17.8	-171.8	-64.5	-21.2	0	0	0	113.3	D617 N621	D617-N619 VanDerWaalsContact C-N 3.29Å; D617-N619 PolarHBondContact O-N 3.39Å; N619-N621 PolarHBondContact O-N 2.98Å
620	I	92.7	Very high	87.7	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.108	32%	0.324	C	S	.	.			trans	-73.9	118.9	-179.5	-59.5	-58.3	0	0	0	110	F451 F484 I524 S525 D617 V627	F451-I620 HydrophobicContact CB-CD1 3.56Å; F451-I620 HydrophobicContact CB-CG1 3.92Å; F451-I620 HydrophobicContact CD2-CB 4.47Å; F451-I620 HydrophobicContact CD2-CD1 4.41Å; F451-I620 HydrophobicContact CD2-CG1 4.01Å; F451-I620 HydrophobicContact CD2-CG2 3.86Å; F451-I620 HydrophobicContact CE2-CG2 4.06Å; F451-I620 HydrophobicContact CG-CD1 4.13Å; F451-I620 HydrophobicContact CG-CG1 4.23Å; F451-I620 HydrophobicContact CG-CG2 4.36Å; F484-I620 HydrophobicContact CE2-CB 4.48Å; F484-I620 HydrophobicContact CE2-CG2 4.11Å; F484-I620 HydrophobicContact CZ-CG2 4.09Å; I524-I620 WeakPolarHBondContact CA-O 3.5Å; S525-I620 PolarHBondContact N-O 2.83Å; S525-I620 PolarHBondContact OG-N 3.38Å; D617-I620 HydrophobicContact CB-CD1 3.65Å; D617-I620 HydrophobicContact CB-CG1 3.45Å; D617-I620 VanDerWaalsContact CB-CG1 3.45Å; D617-I620 WeakPolarHBondContact O-CG1 3.14Å; I620-V627 HydrophobicContact CG2-CG1 3.83Å; I620-V627 HydrophobicContact CG2-CG2 4.11Å
621	N	95.1	Very high	87.7	Confident	42 Å²	42	62.1 Å²	62.1	23%	0.225	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-104.5	114.5	173.5	-178	-3.9	0	0	0	110.2	P523 I524 N619 Q623 E624	P523-N621 CarbonylContact O-C 3.55Å; P523-N621 WeakPolarHBondContact O-CA 3.5Å; I524-N621 HydrophobicContact CD1-CB 3.63Å; N619-N621 PolarHBondContact O-N 2.98Å; N621-Q623 PolarHBondContact O-N 2.6Å; N621-Q623 WeakPolarHBondContact OD1-CB 3.36Å; N621-Q623 PolarHBondContact OD1-N 3.48Å; N621-E624 HydrophobicContact CB-CG 4.04Å; N621-E624 WeakPolarHBondContact O-CB 3.08Å; N621-E624 PolarHBondContact O-N 3.26Å
622	T	95.2	Very high	87.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.2	178.1	62.1	0	0	0	0	114.1	F482 F484 P523 L578 Q628	F482-T622 HydrophobicContact CB-CG2 4.38Å; F482-T622 VanDerWaalsContact O-CB 3.25Å; F482-T622 WeakPolarHBondContact O-CB 3.22Å; F482-T622 PolarHBondContact O-OG1 2.98Å; F484-T622 HydrophobicContact CD2-CG2 3.73Å; F484-T622 HydrophobicContact CE2-CG2 3.44Å; F484-T622 VanDerWaalsContact CE2-CG2 3.44Å; F484-T622 HydrophobicContact CZ-CG2 4.1Å; P523-T622 VanDerWaalsContact CA-OG1 3.26Å; P523-T622 WeakPolarHBondContact CA-OG1 3.28Å; P523-T622 WeakPolarHBondContact CB-OG1 3.34Å; P523-T622 PolarHBondContact O-N 3.03Å; P523-T622 PolarHBondContact O-OG1 2.78Å; L578-T622 HydrophobicContact CD1-CG2 3.7Å; T622-Q628 WeakPolarHBondContact O-CG 3.22Å; T622-Q628 PolarHBondContact O-NE2 3.37Å
623	Q	95	Very high	87.6	Confident	65 Å²	65	66.2 Å²	66.2	30%	0.304	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.5	174.3	-51.4	-49.9	-83.6	0	0	112.9	T481 F482 P523 W594 N621	T481-Q623 PolarHBondContact OG1-NE2 2.87Å; T481-Q623 PolarHBondContact OG1-OE1 2.93Å; F482-Q623 PolarHBondContact O-NE2 2.84Å; F482-Q623 VanDerWaalsContact O-NE2 3.11Å; P523-Q623 HydrophobicContact CB-CG 3.89Å; W594-Q623 HydrophobicContact CH2-CG 4.21Å; W594-Q623 HydrophobicContact CZ2-CG 4.27Å; N621-Q623 PolarHBondContact O-N 2.6Å; N621-Q623 WeakPolarHBondContact OD1-CB 3.36Å; N621-Q623 PolarHBondContact OD1-N 3.48Å
624	E	95.6	Very high	87.8	Confident	85 Å²	85	65.5 Å²	65.5	40%	0.397	33%	0.33	S	S	.	.	S	Bend	trans	-72.6	131.1	173.6	-75.3	175.2	-154.1	0	0	111.4	N621 K626 V627 Q628	N621-E624 HydrophobicContact CB-CG 4.04Å; N621-E624 WeakPolarHBondContact O-CB 3.08Å; N621-E624 PolarHBondContact O-N 3.26Å; E624-K626 PolarHBondContact O-N 3.47Å; E624-K626 VanDerWaalsContact O-N 3.11Å; E624-V627 HydrophobicContact CB-CB 4.28Å; E624-V627 HydrophobicContact CB-CG2 4Å; E624-V627 PolarHBondContact O-N 2.74Å; E624-Q628 PolarHBondContact O-N 3.26Å
625	P	92.4	Very high	87.5	Confident	105 Å²	105	62.7 Å²	62.7	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-56.2	-32.6	-179.4	-28.5	35.4	0	0	0	114.2	K629	P625-K629 VanDerWaalsContact O-CB 3.23Å; P625-K629 WeakPolarHBondContact O-CB 3.41Å; P625-K629 PolarHBondContact O-N 3.01Å
626	K	92.6	Very high	86.4	Confident	167 Å²	167	60.8 Å²	60.8	73%	0.726	31%	0.311	S	S	*	.	H	α-helix	trans	-65.1	-47.2	176.4	-174.9	-176	176.4	-171.4	0	111.6	E624 K629 E630	E624-K626 PolarHBondContact O-N 3.47Å; E624-K626 VanDerWaalsContact O-N 3.11Å; K626-K629 PolarHBondContact O-N 2.98Å; K626-E630 PolarHBondContact O-N 3.08Å
627	V	93	Very high	84.9	Confident	8 Å²	8	63.1 Å²	63.1	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-45.9	179.3	178.9	0	0	0	0	110	F451 I620 E624 K629 E630 I631	F451-V627 HydrophobicContact CE1-CG1 4.13Å; F451-V627 HydrophobicContact CZ-CG1 4.05Å; I620-V627 HydrophobicContact CG2-CG1 3.83Å; I620-V627 HydrophobicContact CG2-CG2 4.11Å; E624-V627 HydrophobicContact CB-CB 4.28Å; E624-V627 HydrophobicContact CB-CG2 4Å; E624-V627 PolarHBondContact O-N 2.74Å; V627-K629 PolarHBondContact O-N 3.49Å; V627-E630 PolarHBondContact O-N 3.02Å; V627-E630 VanDerWaalsContact O-N 3.17Å; V627-I631 HydrophobicContact CG1-CD1 3.81Å; V627-I631 HydrophobicContact CG1-CG1 4.5Å; V627-I631 VanDerWaalsContact O-CG1 3.3Å; V627-I631 WeakPolarHBondContact O-CG1 3.23Å; V627-I631 PolarHBondContact O-N 2.96Å
628	Q	90.9	Very high	83	Confident	65 Å²	65	62 Å²	62	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-44	175.6	-67.9	-169.8	-9.8	0	0	112.6	T622 E624 E630 I631 M632	T622-Q628 WeakPolarHBondContact O-CG 3.22Å; T622-Q628 PolarHBondContact O-NE2 3.37Å; E624-Q628 PolarHBondContact O-N 3.26Å; Q628-E630 VanDerWaalsContact C-N 3.3Å; Q628-E630 PolarHBondContact O-N 3.02Å; Q628-I631 PolarHBondContact O-N 2.78Å; Q628-M632 WeakPolarHBondContact O-CB 3.36Å; Q628-M632 WeakPolarHBondContact O-CG 3.47Å; Q628-M632 PolarHBondContact O-N 3.11Å
629	K	89.1	Confident	81	Confident	167 Å²	167	65 Å²	65	73%	0.726	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-37.2	176.4	-172.8	173.7	-177.2	176.1	0	111.8	P625 K626 V627 R633	P625-K629 VanDerWaalsContact O-CB 3.23Å; P625-K629 WeakPolarHBondContact O-CB 3.41Å; P625-K629 PolarHBondContact O-N 3.01Å; K626-K629 PolarHBondContact O-N 2.98Å; V627-K629 PolarHBondContact O-N 3.49Å; K629-R633 VanDerWaalsContact O-CB 3.23Å; K629-R633 WeakPolarHBondContact O-CB 3.47Å; K629-R633 PolarHBondContact O-N 3.31Å
630	E	90.6	Very high	78.4	Confident	37 Å²	37	68.1 Å²	68.1	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-69.2	-42.6	176.5	-161.2	179.3	157.9	0	0	112.3	L449 K450 F451 K626 V627 Q628 R633 V634	L449-E630 HydrophobicContact CD2-CB 4.48Å; L449-E630 HydrophobicContact CD2-CG 3.96Å; K450-E630 PolarHBondContact N-OE1 3.26Å; F451-E630 HydrophobicContact CE1-CB 4.3Å; F451-E630 HydrophobicContact CE1-CG 4.4Å; K626-E630 PolarHBondContact O-N 3.08Å; V627-E630 PolarHBondContact O-N 3.02Å; V627-E630 VanDerWaalsContact O-N 3.17Å; Q628-E630 VanDerWaalsContact C-N 3.3Å; Q628-E630 PolarHBondContact O-N 3.02Å; E630-R633 WeakPolarHBondContact O-CB 3.26Å; E630-R633 PolarHBondContact O-N 3.49Å; E630-R633 IonicContact OE1-NH2 2.78Å; E630-V634 WeakPolarHBondContact O-CG2 3.34Å; E630-V634 PolarHBondContact O-N 3.43Å
631	I	90.1	Very high	75.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-51.7	174.3	-65	161.4	0	0	0	110.7	L449 F451 F482 L578 F606 V627 Q628 R633 V634 I635	L449-I631 HydrophobicContact CD2-CG1 4.37Å; F451-I631 HydrophobicContact CZ-CG1 4.13Å; F482-I631 HydrophobicContact CB-CD1 4.24Å; F482-I631 HydrophobicContact CD1-CG2 3.94Å; F482-I631 HydrophobicContact CD2-CD1 4.37Å; F482-I631 HydrophobicContact CD2-CG2 3.93Å; F482-I631 HydrophobicContact CE1-CG2 3.75Å; F482-I631 HydrophobicContact CE2-CG2 3.74Å; F482-I631 HydrophobicContact CG-CD1 4.25Å; F482-I631 HydrophobicContact CG-CG2 4.03Å; F482-I631 HydrophobicContact CZ-CG2 3.66Å; L578-I631 HydrophobicContact CD2-CD1 3.74Å; L578-I631 HydrophobicContact CD2-CG1 3.85Å; L578-I631 HydrophobicContact CD2-CG2 4.32Å; F606-I631 HydrophobicContact CE2-CG2 3.82Å; F606-I631 HydrophobicContact CZ-CG2 4.37Å; V627-I631 HydrophobicContact CG1-CD1 3.81Å; V627-I631 HydrophobicContact CG1-CG1 4.5Å; V627-I631 VanDerWaalsContact O-CG1 3.3Å; V627-I631 WeakPolarHBondContact O-CG1 3.23Å; V627-I631 PolarHBondContact O-N 2.96Å; Q628-I631 PolarHBondContact O-N 2.78Å; I631-R633 VanDerWaalsContact C-N 3.32Å; I631-R633 PolarHBondContact O-N 2.96Å; I631-V634 PolarHBondContact O-N 3.47Å; I631-I635 HydrophobicContact CG2-CD1 4.08Å; I631-I635 PolarHBondContact O-N 3.42Å
632	M	85	Confident	72	Confident	90 Å²	90	77 Å²	77	44%	0.443	40%	0.395	S	S	.	.	H	α-helix	trans	-66.5	-30.8	-178.8	-71.9	-59.8	-63.2	0	0	112.8	F482 Q628 V634 G636	F482-M632 HydrophobicContact CE2-CG 4.22Å; F482-M632 HydrophobicContact CE2-SD 3.69Å; F482-M632 HydrophobicContact CZ-SD 3.84Å; Q628-M632 WeakPolarHBondContact O-CB 3.36Å; Q628-M632 WeakPolarHBondContact O-CG 3.47Å; Q628-M632 PolarHBondContact O-N 3.11Å; M632-V634 VanDerWaalsContact C-N 3.32Å; M632-V634 PolarHBondContact O-N 3.42Å; M632-G636 WeakPolarHBondContact O-CA 3.35Å; M632-G636 PolarHBondContact O-N 3.43Å
633	R	84.9	Confident	70.9	Confident	103 Å²	103	80.9 Å²	80.9	39%	0.389	42%	0.415	S	S	.	.	H	α-helix	trans	-58.8	-43.7	169	172.6	-165.4	66.1	123.3	0.3	111.2	Q448 K629 E630 I631 T637	Q448-R633 PolarHBondContact O-NH2 2.93Å; K629-R633 VanDerWaalsContact O-CB 3.23Å; K629-R633 WeakPolarHBondContact O-CB 3.47Å; K629-R633 PolarHBondContact O-N 3.31Å; E630-R633 WeakPolarHBondContact O-CB 3.26Å; E630-R633 PolarHBondContact O-N 3.49Å; E630-R633 IonicContact OE1-NH2 2.78Å; I631-R633 VanDerWaalsContact C-N 3.32Å; I631-R633 PolarHBondContact O-N 2.96Å; R633-T637 WeakPolarHBondContact O-CB 3.48Å; R633-T637 WeakPolarHBondContact O-CG2 3.49Å; R633-T637 PolarHBondContact O-N 3.37Å; R633-T637 PolarHBondContact O-OG1 2.85Å
634	V	78.6	Confident	69.6	Low	1 Å²	1	81.7 Å²	81.7	1%	0.006	42%	0.421	C	S	.	.	H	α-helix	trans	-73.9	-36.9	-177.1	-179.7	0	0	0	0	111.8	L443 R447 L449 F606 E630 I631 M632 T637	L443-V634 HydrophobicContact CD1-CG1 4.17Å; L443-V634 HydrophobicContact CD2-CG1 3.83Å; R447-V634 HydrophobicContact CB-CG1 4.4Å; R447-V634 PolarHBondContact NH2-O 3.33Å; R447-V634 VanDerWaalsContact O-CG1 3.29Å; R447-V634 WeakPolarHBondContact O-CG1 3.36Å; R447-V634 WeakPolarHBondContact O-CG2 3.44Å; L449-V634 HydrophobicContact CD2-CB 4.37Å; L449-V634 HydrophobicContact CD2-CG2 3.73Å; L449-V634 HydrophobicContact CG-CG2 4.35Å; F606-V634 HydrophobicContact CE1-CB 4.2Å; F606-V634 HydrophobicContact CE1-CG1 3.64Å; F606-V634 HydrophobicContact CZ-CB 4.14Å; F606-V634 HydrophobicContact CZ-CG1 4.01Å; E630-V634 WeakPolarHBondContact O-CG2 3.34Å; E630-V634 PolarHBondContact O-N 3.43Å; I631-V634 PolarHBondContact O-N 3.47Å; M632-V634 VanDerWaalsContact C-N 3.32Å; M632-V634 PolarHBondContact O-N 3.42Å; V634-T637 PolarHBondContact O-OG1 3.25Å
635	I	74.8	Confident	68.2	Low	38 Å²	38	81.6 Å²	81.6	20%	0.195	42%	0.422	C	S	.	.	H	α-helix	trans	-71.8	-53.1	173.6	-61.6	173.7	0	0	0	111	F482 F606 I631 T637 Q638	F482-I635 HydrophobicContact CE1-CD1 3.73Å; F482-I635 HydrophobicContact CZ-CD1 3.57Å; F606-I635 HydrophobicContact CE2-CD1 3.94Å; F606-I635 HydrophobicContact CE2-CG1 3.9Å; F606-I635 HydrophobicContact CZ-CD1 4.31Å; F606-I635 HydrophobicContact CZ-CG1 3.76Å; I631-I635 HydrophobicContact CG2-CD1 4.08Å; I631-I635 PolarHBondContact O-N 3.42Å; I635-T637 VanDerWaalsContact C-N 3.28Å; I635-T637 PolarHBondContact O-N 3.48Å; I635-Q638 PolarHBondContact O-N 3.28Å
636	G	57.4	Low	66.7	Low	25 Å²	25	80.2 Å²	80.2	26%	0.258	41%	0.407	S	S	.	.	H	α-helix	trans	-68.7	-18.9	-170.4	0	0	0	0	0	115.3	M632 Q638 I639	M632-G636 WeakPolarHBondContact O-CA 3.35Å; M632-G636 PolarHBondContact O-N 3.43Å; G636-Q638 PolarHBondContact O-N 2.83Å; G636-I639 PolarHBondContact O-N 3.18Å
637	T	47.9	Very low	65.1	Low	55 Å²	55	74.8 Å²	74.8	34%	0.337	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.5	173.2	35.2	0	0	0	0	114.1	R633 V634 I635 S641	R633-T637 WeakPolarHBondContact O-CB 3.48Å; R633-T637 WeakPolarHBondContact O-CG2 3.49Å; R633-T637 PolarHBondContact O-N 3.37Å; R633-T637 PolarHBondContact O-OG1 2.85Å; V634-T637 PolarHBondContact O-OG1 3.25Å; I635-T637 VanDerWaalsContact C-N 3.28Å; I635-T637 PolarHBondContact O-N 3.48Å; T637-S641 WeakPolarHBondContact O-CB 3.43Å
638	Q	43	Very low	63.3	Low	45 Å²	45	79.2 Å²	79.2	21%	0.21	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.3	166.7	-99.5	167.3	-58.1	0	0	113.7	L459 L461 I635 G636 Y640	L459-Q638 VanDerWaalsContact CD2-OE1 3.28Å; L461-Q638 VanDerWaalsContact CD2-NE2 3.31Å; L461-Q638 VanDerWaalsContact CD2-OE1 3.28Å; I635-Q638 PolarHBondContact O-N 3.28Å; G636-Q638 PolarHBondContact O-N 2.83Å; Q638-Y640 PolarHBondContact O-N 3.46Å; Q638-Y640 VanDerWaalsContact O-N 3.12Å
639	I	35.6	Very low	61.3	Low	110 Å²	110	80.2 Å²	80.2	56%	0.564	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.7	-173.9	-56.5	175.7	0	0	0	112.5	G636	G636-I639 PolarHBondContact O-N 3.18Å
640	Y	26.8	Very low	59.2	Low	202 Å²	202	73.5 Å²	73.5	79%	0.792	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.3	13.5	-171.9	-66	-75	0	0	0	114	Q638	Q638-Y640 PolarHBondContact O-N 3.46Å; Q638-Y640 VanDerWaalsContact O-N 3.12Å
641	S	26.2	Very low	56.5	Low	84 Å²	84	76.6 Å²	76.6	59%	0.587	41%	0.412	S	S	*	.			trans	-153.7	60.2	-175.3	-52.3	0	0	0	0	113.2	T637	T637-S641 WeakPolarHBondContact O-CB 3.43Å
642	S	28.2	Very low	53.5	Low	166 Å²	166	83.5 Å²	83.5	100%	1.161	45%	0.449	S	S	*	.			trans	-152.4	0	158.6	-73.2	0	0	0	0	108.9

Retrieved 642 of 642 residues in 113.9 ms (Link to these results)

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