A0A096MR47_PAPAN Loading...

Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial

Biotin-attachment subunit of the 3-methylcrotonyl-CoA carboxylase, an enzyme that catalyzes the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA, a critical step for leucine and isovaleric acid catabolism.

AlphaFold DB , UniProt , Accession A0A096MR47, Species PAPAN (Papio anubis, Olive baboon), Gene MCCC1, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.4	Very low	25.6	Very low	237 Å²	237	127.2 Å²	127.2	100%	1.167	82%	0.817	S	S	*	*				0	91.2	0	-68.6	-170	-87.3	0	0	105.9
2	A	25.1	Very low	25.5	Very low	104 Å²	104	128.6 Å²	128.6	86%	0.86	82%	0.822	S	S	*	*				49.5	124	82.9	0	0	0	0	0	110.5
3	A	26.1	Very low	25.3	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	82%	0.815	S	S	*	*			cis	-160.5	145.1	27	0	0	0	0	0	108.5
4	A	27.7	Very low	25.4	Very low	92 Å²	92	123.4 Å²	123.4	76%	0.76	81%	0.813	S	S	*	*				66.3	137.4	94.7	0	0	0	0	0	113.7
5	S	24.9	Very low	25.4	Very low	121 Å²	121	127 Å²	127	85%	0.846	81%	0.814	S	S	*	*			cis	-164.2	159.1	47.4	-74.9	0	0	0	0	113.2
6	A	25.2	Very low	25.5	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	82%	0.816	S	S	*	*			trans	-90.6	-178.2	173.3	0	0	0	0	0	113
7	V	26	Very low	25.6	Very low	125 Å²	125	132.4 Å²	132.4	76%	0.758	81%	0.807	S	S	*	*			trans	122.4	105.2	139.5	-178.3	0	0	0	0	116.2
8	S	22.9	Very low	25.5	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	82%	0.815	S	S	*	*				60.7	143	128.1	-50.1	0	0	0	0	123.2
9	V	24	Very low	25.5	Very low	124 Å²	124	140.9 Å²	140.9	75%	0.752	81%	0.807	S	S	*	*				156.2	128.6	110.7	160	0	0	0	0	114.5
10	L	22.9	Very low	25.7	Very low	155 Å²	155	143.3 Å²	143.3	81%	0.812	81%	0.81	S	S	*	*			trans	61.3	132.5	147.9	-92.4	86.6	0	0	0	126.6
11	L	24.8	Very low	25.8	Very low	159 Å²	159	145.6 Å²	145.6	83%	0.832	81%	0.806	S	S	*	*			trans	-56	149.5	148.4	-84.7	95.8	0	0	0	113.3
12	V	24.1	Very low	25.6	Very low	144 Å²	144	141.4 Å²	141.4	87%	0.873	79%	0.787	S	S	*	*			trans	-159	146.7	131.5	165.7	0	0	0	0	109.9
13	A	23.4	Very low	25.9	Very low	89 Å²	89	142 Å²	142	74%	0.736	78%	0.782	S	S	*	*			trans	-96.8	-176.6	-173.3	0	0	0	0	0	115.1
14	A	25.6	Very low	26	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	78%	0.781	S	S	*	*			trans	96.6	141.7	162.9	0	0	0	0	0	115.2
15	E	25.3	Very low	26.4	Very low	178 Å²	178	146.8 Å²	146.8	83%	0.832	79%	0.79	S	S	*	*			cis	-155.8	133.6	29.1	-76.6	-175.9	130.3	0	0	110
16	R	27.3	Very low	26.6	Very low	224 Å²	224	148.9 Å²	148.9	85%	0.845	79%	0.79	S	S	*	*				71	113.3	89.6	-92.5	-176.8	176.5	175.6	0.1	119.3
17	N	27.1	Very low	27	Very low	122 Å²	122	152.3 Å²	152.3	65%	0.652	80%	0.795	S	S	*	*			trans	74.2	124.4	134.6	-73.5	-9.9	0	0	0	123
18	R	24.9	Very low	27.3	Very low	253 Å²	253	151.4 Å²	151.4	96%	0.955	79%	0.792	S	S	*	*				-162.1	150.8	118.8	-106.9	179.5	-123.5	-146.2	3.3	112.9
19	W	25.6	Very low	27.7	Very low	174 Å²	174	152.2 Å²	152.2	66%	0.659	80%	0.795	S	S	*	*			trans	-99.1	157.6	-160	-78.2	49.6	0	0	0	114.7
20	H	27.9	Very low	28.1	Very low	188 Å²	188	156.9 Å²	156.9	87%	0.87	80%	0.799	S	S	*	*			trans	174.3	103.2	135.5	-86.4	-59.4	0	0	0	108.7
21	R	28	Very low	28.3	Very low	191 Å²	191	155.1 Å²	155.1	72%	0.721	80%	0.795	S	S	*	*				43.7	124.1	90.3	-76.5	-164.7	-176.7	-159.7	3.6	114
22	L	29.5	Very low	28.6	Very low	149 Å²	149	158 Å²	158	78%	0.78	80%	0.795	S	S	*	*			cis	-171.5	-171.9	33	-99.6	153.9	0	0	0	109.1
23	P	31.6	Very low	28.7	Very low	117 Å²	117	156.7 Å²	156.7	76%	0.76	79%	0.787	S	S	*	*				-121	156.5	-83.4	35.4	-14.8	0	0	0	114.8
24	S	27.4	Very low	29	Very low	105 Å²	105	163.9 Å²	163.9	73%	0.734	80%	0.796	S	S	*	*			trans	-140.6	125.1	157.8	61.1	0	0	0	0	110.8	L26	S24-L26 PolarHBondContact O-N 3.28Å
25	L	35.6	Very low	29.1	Very low	179 Å²	179	170.5 Å²	170.5	94%	0.937	80%	0.8	S	S	*	*			trans	-51.6	120.8	178.8	-75.4	112.9	0	0	0	111.9
26	L	29.5	Very low	29.5	Very low	165 Å²	165	171.1 Å²	171.1	86%	0.864	80%	0.803	S	S	*	*			trans	-120.8	114.7	163.2	-77.9	166.1	0	0	0	108.3	S24	S24-L26 PolarHBondContact O-N 3.28Å
27	L	33	Very low	29.9	Very low	162 Å²	162	170.3 Å²	170.3	85%	0.848	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.6	147.7	163.8	-74.7	158.2	0	0	0	109.1
28	P	32.2	Very low	30	Very low	107 Å²	107	170.8 Å²	170.8	70%	0.695	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-71.9	152.9	-179.1	31.6	-33.1	0	0	0	110.6	R30	P28-R30 PolarHBondContact O-N 2.88Å
29	P	33	Very low	30.5	Very low	117 Å²	117	164.6 Å²	164.6	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.9	178.5	28	-31.3	0	0	0	109.7	T31	P29-T31 PolarHBondContact O-N 3.09Å
30	R	32.1	Very low	30.7	Very low	221 Å²	221	165.7 Å²	165.7	83%	0.834	80%	0.8	S	S	*	*			trans	-65.5	101.6	168.1	-87.6	-179.1	155.9	-170.8	-5.2	109	P28 W32	P28-R30 PolarHBondContact O-N 2.88Å; R30-W32 PolarHBondContact O-N 3.36Å
31	T	27.5	Very low	31	Very low	118 Å²	118	166.7 Å²	166.7	72%	0.724	80%	0.798	S	S	*	*			trans	-69.2	111.6	164.9	49.7	0	0	0	0	108.9	P29 V33	P29-T31 PolarHBondContact O-N 3.09Å; T31-V33 PolarHBondContact O-N 2.9Å; T31-V33 VanDerWaalsContact O-N 3.1Å
32	W	30.2	Very low	31.4	Very low	219 Å²	219	162.8 Å²	162.8	83%	0.83	80%	0.796	S	S	*	*			trans	-73	97.4	169.7	-72.7	81.8	0	0	0	108.7	R30 W34	R30-W32 PolarHBondContact O-N 3.36Å; W32-W34 PolarHBondContact O-N 3.34Å
33	V	25.3	Very low	31.7	Very low	118 Å²	118	163 Å²	163	72%	0.715	80%	0.803	S	S	*	*			trans	-77.3	109.9	172.9	-179.9	0	0	0	0	108	T31 R35	T31-V33 PolarHBondContact O-N 2.9Å; T31-V33 VanDerWaalsContact O-N 3.1Å; V33-R35 PolarHBondContact O-N 2.97Å; V33-R35 VanDerWaalsContact O-N 3.09Å
34	W	29.8	Very low	32.2	Very low	240 Å²	240	161 Å²	161	91%	0.909	79%	0.789	S	S	*	*			trans	-63	106.5	165	-72.4	82.5	0	0	0	108.3	W32 Q36	W32-W34 PolarHBondContact O-N 3.34Å; W34-Q36 PolarHBondContact O-N 3.34Å
35	R	28.4	Very low	33.1	Very low	233 Å²	233	163.4 Å²	163.4	88%	0.879	80%	0.8	S	S	*	*			trans	-66.5	105.7	168.7	-83.1	-174.5	172.6	-141.2	0	108.1	V33 R37	V33-R35 PolarHBondContact O-N 2.97Å; V33-R35 VanDerWaalsContact O-N 3.09Å; R35-R37 PolarHBondContact O-N 3.11Å
36	Q	33.3	Very low	34.1	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	77%	0.772	S	S	*	*			trans	-58.7	104.5	158.9	-81.8	-180	-30.5	0	0	107.8	W34 T38	W34-Q36 PolarHBondContact O-N 3.34Å; Q36-T38 PolarHBondContact O-N 2.89Å
37	R	35.3	Very low	36.2	Very low	207 Å²	207	157.2 Å²	157.2	78%	0.781	76%	0.763	S	S	*	*			trans	-70.2	108.4	166.9	-92	178.8	159.7	-178.2	-7.9	107.3	R35 M39	R35-R37 PolarHBondContact O-N 3.11Å; R37-M39 PolarHBondContact O-N 3.04Å
38	T	30.1	Very low	38.6	Very low	133 Å²	133	155.6 Å²	155.6	82%	0.816	76%	0.755	S	S	*	*			trans	-58.6	113.7	166.1	39.8	0	0	0	0	109.3	Q36 K40	Q36-T38 PolarHBondContact O-N 2.89Å; T38-K40 PolarHBondContact O-N 3.36Å
39	M	35.1	Very low	41.6	Very low	123 Å²	123	151.1 Å²	151.1	61%	0.606	73%	0.725	S	S	*	*			trans	-62.1	122	169.7	-77.3	-163.3	-128.8	0	0	109.2	R37 Y41	R37-M39 PolarHBondContact O-N 3.04Å; M39-Y41 PolarHBondContact O-N 3.37Å
40	K	30.2	Very low	44.7	Very low	196 Å²	196	148.4 Å²	148.4	85%	0.852	71%	0.707	S	S	*	*			trans	-76.1	109	163.7	-76.6	-177.7	176.1	-179.8	0	107.3	T38 T42	T38-K40 PolarHBondContact O-N 3.36Å; K40-T42 PolarHBondContact O-N 2.85Å; K40-T42 VanDerWaalsContact O-N 3.11Å
41	Y	33.7	Very low	47.8	Very low	210 Å²	210	139.1 Å²	139.1	82%	0.824	67%	0.673	S	S	*	*			trans	-71.3	99.5	166.2	-76.4	-89.5	0	0	0	108.4	M39	M39-Y41 PolarHBondContact O-N 3.37Å
42	T	36	Very low	51.2	Low	109 Å²	109	133.5 Å²	133.5	67%	0.669	64%	0.638	S	S	*	*			trans	-76.2	125.2	161.3	39	0	0	0	0	108.3	K40 T44	K40-T42 PolarHBondContact O-N 2.85Å; K40-T42 VanDerWaalsContact O-N 3.11Å; T42-T44 PolarHBondContact O-N 2.86Å; T42-T44 VanDerWaalsContact O-N 3.09Å; T42-T44 PolarHBondContact O-OG1 2.82Å
43	T	37.7	Very low	54.5	Low	152 Å²	152	123.1 Å²	123.1	93%	0.933	60%	0.599	S	S	*	*			trans	-65.9	103.2	169.1	42.6	0	0	0	0	109.2
44	T	40.5	Very low	58	Low	76 Å²	76	117.5 Å²	117.5	47%	0.466	57%	0.565	S	S	.	*			trans	-100.2	138	179.6	0.6	0	0	0	0	111.2	T42 G46	T42-T44 PolarHBondContact O-N 2.86Å; T42-T44 VanDerWaalsContact O-N 3.09Å; T42-T44 PolarHBondContact O-OG1 2.82Å; T44-G46 PolarHBondContact O-N 3.36Å
45	T	47	Very low	61.3	Low	156 Å²	156	106.1 Å²	106.1	96%	0.957	52%	0.522	S	S	*	.			trans	-68.3	37.2	169.5	49.1	0	0	0	0	113
46	G	55.5	Low	64.6	Low	35 Å²	35	95.2 Å²	95.2	36%	0.361	48%	0.481	S	S	.	.			trans	-87.6	158.7	-174.6	0	0	0	0	0	113.4	T44 N48 A364	T44-G46 PolarHBondContact O-N 3.36Å; G46-N48 PolarHBondContact O-N 3.25Å; G46-A364 CarbonylContact C-O 3.59Å; G46-A364 WeakPolarHBondContact CA-O 3.44Å
47	R	74.1	Confident	67.6	Low	178 Å²	178	88.2 Å²	88.2	67%	0.672	45%	0.446	S	S	*	.			trans	-69	120.8	169.5	-69.4	-179.2	-179.9	166	-3	108	I49 I148 A364	R47-I49 PolarHBondContact O-N 3.24Å; R47-I148 HydrophobicContact CB-CD1 3.81Å; R47-I148 HydrophobicContact CG-CD1 4.4Å; R47-A364 PolarHBondContact N-O 3.42Å; R47-A364 WeakPolarHBondContact O-CA 3.35Å; R47-A364 VanDerWaalsContact O-CB 3.28Å; R47-A364 WeakPolarHBondContact O-CB 3.11Å
48	N	83.4	Confident	70.5	Confident	128 Å²	128	78.9 Å²	78.9	68%	0.684	42%	0.415	S	S	*	.			trans	-73.1	113.6	-178.5	-167.6	15.2	0	0	0	110.6	G46 T50	G46-N48 PolarHBondContact O-N 3.25Å; N48-T50 WeakPolarHBondContact ND2-CG2 3.07Å
49	I	96	Very high	73.7	Confident	13 Å²	13	73.1 Å²	73.1	7%	0.067	38%	0.378	C	S	.	.			trans	-95.5	96.8	174.6	-58.1	177.6	0	0	0	108	R47 V73 A124 I148 A363 A364	R47-I49 PolarHBondContact O-N 3.24Å; I49-V73 HydrophobicContact CG2-CG1 4.24Å; I49-V73 WeakPolarHBondContact O-CG2 3.49Å; I49-A124 HydrophobicContact CD1-CB 4.06Å; I49-A124 HydrophobicContact CG1-CB 4.35Å; I49-A124 HydrophobicContact CG2-CB 3.93Å; I49-I148 HydrophobicContact CD1-CD1 4.15Å; I49-I148 HydrophobicContact CG1-CD1 3.99Å; I49-A363 HydrophobicContact CD1-CB 3.97Å; I49-A364 HydrophobicContact CD1-CB 4.02Å; I49-A364 HydrophobicContact CG1-CB 4.18Å
50	T	97.1	Very high	76.7	Confident	61 Å²	61	67.3 Å²	67.3	37%	0.374	35%	0.35	S	S	.	.			trans	-98.2	-21.5	177.3	51.2	0	0	0	0	113.4	N48 Q74 Q123	N48-T50 WeakPolarHBondContact ND2-CG2 3.07Å; T50-Q74 PolarHBondContact O-N 2.69Å; T50-Q123 PolarHBondContact OG1-OE1 2.97Å
51	K	98.4	Very high	80	Confident	26 Å²	26	58 Å²	58	11%	0.113	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127.5	179.8	-173.5	-178.8	-70.5	-165.4	0	110.4	Q74 V76 E94 S120 A122 Q123	K51-Q74 CarbonylContact C-O 3.54Å; K51-Q74 VanDerWaalsContact CA-O 3.3Å; K51-Q74 WeakPolarHBondContact CA-O 3.49Å; K51-Q74 HydrophobicContact CB-CB 4.1Å; K51-Q74 HydrophobicContact CG-CB 3.96Å; K51-V76 HydrophobicContact CD-CG2 3.71Å; K51-V76 HydrophobicContact CG-CG2 3.79Å; K51-E94 IonicContact NZ-OE1 3.99Å; K51-E94 PolarHBondContact NZ-OE1 3.27Å; K51-E94 IonicContact NZ-OE2 2.8Å; K51-S120 WeakPolarHBondContact CD-O 3.4Å; K51-S120 PolarHBondContact NZ-O 3.35Å; K51-A122 HydrophobicContact CD-CB 4.5Å; K51-A122 HydrophobicContact CG-CB 4.3Å; K51-Q123 PolarHBondContact O-N 3.46Å; K51-Q123 PolarHBondContact O-OE1 2.94Å
52	V	98.7	Very high	83.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132	-179.5	64.6	0	0	0	0	110.5	I54 A68 V73 Q74 V76 A124 H126 I150 L360	V52-I54 HydrophobicContact CG1-CD1 4.19Å; V52-A68 HydrophobicContact CG1-CB 4.11Å; V52-V73 HydrophobicContact CB-CG1 4.22Å; V52-V73 HydrophobicContact CG1-CG1 3.86Å; V52-Q74 PolarHBondContact N-O 3.03Å; V52-V76 PolarHBondContact O-N 3.01Å; V52-A124 WeakPolarHBondContact CA-O 3.24Å; V52-A124 HydrophobicContact CG2-CB 4.3Å; V52-H126 HydrophobicContact CG2-CB 3.97Å; V52-I150 HydrophobicContact CG2-CD1 3.5Å; V52-L360 HydrophobicContact CG2-CD2 4.44Å
53	L	98.8	Very high	86	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.2	167.5	-178.6	150.7	0	0	0	109.5	A55 V76 V78 I113 V116 A117 A122 A124 I125 H126	L53-A55 HydrophobicContact CD2-CB 3.89Å; L53-V76 CarbonylContact C-O 3.47Å; L53-V76 WeakPolarHBondContact CA-O 3.28Å; L53-V76 HydrophobicContact CB-CB 4.2Å; L53-V76 HydrophobicContact CD1-CG1 4.2Å; L53-V76 HydrophobicContact CG-CB 4.4Å; L53-V76 HydrophobicContact CG-CG1 4.38Å; L53-V78 HydrophobicContact CD1-CG1 4.04Å; L53-V78 HydrophobicContact CD2-CG1 4.27Å; L53-V78 HydrophobicContact CG-CG1 4.33Å; L53-I113 HydrophobicContact CD2-CG2 3.9Å; L53-V116 HydrophobicContact CD1-CB 3.85Å; L53-V116 HydrophobicContact CD1-CG1 3.51Å; L53-A117 HydrophobicContact CD1-CB 4.05Å; L53-A122 HydrophobicContact CB-CB 3.84Å; L53-A124 PolarHBondContact N-O 2.97Å; L53-I125 HydrophobicContact CB-CG1 4.19Å; L53-I125 HydrophobicContact CD2-CG1 4.13Å; L53-I125 HydrophobicContact CD2-CG2 4.14Å; L53-I125 CarbonylContact O-C 3.58Å; L53-I125 VanDerWaalsContact O-CA 3.27Å; L53-I125 WeakPolarHBondContact O-CA 3.34Å; L53-H126 PolarHBondContact O-N 3.24Å
54	I	98.8	Very high	89	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.8	176.8	-57.2	85	0	0	0	108.1	V52 N56 A61 V64 M65 V76 H126	V52-I54 HydrophobicContact CG1-CD1 4.19Å; I54-N56 HydrophobicContact CG2-CB 4.28Å; I54-N56 PolarHBondContact O-N 3Å; I54-A61 HydrophobicContact CG2-CB 4.02Å; I54-V64 HydrophobicContact CG1-CB 4.22Å; I54-V64 HydrophobicContact CG1-CG1 3.72Å; I54-V64 HydrophobicContact CG2-CB 4.45Å; I54-M65 HydrophobicContact CB-CE 4.27Å; I54-M65 HydrophobicContact CD1-CE 3.94Å; I54-M65 HydrophobicContact CD1-CG 3.86Å; I54-M65 HydrophobicContact CG1-CE 4.3Å; I54-M65 HydrophobicContact CG1-CG 4.3Å; I54-V76 WeakPolarHBondContact CD1-O 3.28Å; I54-V76 PolarHBondContact N-O 3.43Å; I54-H126 WeakPolarHBondContact CA-O 3.36Å
55	A	98.4	Very high	91.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.173	C	C	.	.			trans	-83.5	50.3	-177.6	0	0	0	0	0	111.5	L53 I113 I125 H126	L53-A55 HydrophobicContact CD2-CB 3.89Å; A55-I113 HydrophobicContact CB-CG2 3.81Å; A55-I125 HydrophobicContact CB-CG2 3.64Å; A55-H126 PolarHBondContact N-O 3.17Å
56	N	98.4	Very high	94.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	14%	0.142	C	C	.	.			trans	-156.4	-179.1	-177.4	-144	-48.8	0	0	0	110.6	I54 I60 P127 Y129 F131	I54-N56 HydrophobicContact CG2-CB 4.28Å; I54-N56 PolarHBondContact O-N 3Å; N56-I60 HydrophobicContact CB-CG2 4.09Å; N56-I60 WeakPolarHBondContact OD1-CG2 3.28Å; N56-P127 PolarHBondContact ND2-O 3.42Å; N56-Y129 PolarHBondContact ND2-N 2.94Å; N56-Y129 PolarHBondContact ND2-O 3.49Å; N56-F131 WeakPolarHBondContact OD1-CD2 3.38Å; N56-F131 VanDerWaalsContact OD1-CE2 3.32Å; N56-F131 WeakPolarHBondContact OD1-CE2 3.3Å
57	R	97.6	Very high	96.2	Very high	44 Å²	44	27.1 Å²	27.1	17%	0.166	13%	0.126	C	C	.	.			trans	-135.1	176.8	-177.6	64.8	176.5	-63.6	-82.3	1.9	112.3	I60 D83 Y107 F131 Y430	R57-I60 VanDerWaalsContact O-CG2 3.29Å; R57-I60 WeakPolarHBondContact O-CG2 3.44Å; R57-D83 WeakPolarHBondContact CD-OD2 3.4Å; R57-D83 IonicContact CZ-OD1 3.55Å; R57-D83 IonicContact CZ-OD2 3.26Å; R57-D83 IonicContact NE-OD1 3.58Å; R57-D83 PolarHBondContact NE-OD1 3.1Å; R57-D83 IonicContact NE-OD2 3.49Å; R57-D83 PolarHBondContact NE-OD2 2.8Å; R57-D83 IonicContact NH2-OD1 3.53Å; R57-D83 PolarHBondContact NH2-OD1 2.76Å; R57-D83 IonicContact NH2-OD2 2.72Å; R57-Y107 HydrophobicContact CB-CE1 3.81Å; R57-Y107 HydrophobicContact CB-CE2 4.31Å; R57-Y107 WeakPolarHBondContact CB-OH 3.49Å; R57-Y107 HydrophobicContact CG-CE1 4.43Å; R57-Y107 HydrophobicContact CG-CE2 4.35Å; R57-F131 HydrophobicContact CG-CE2 4.02Å; R57-F131 HydrophobicContact CG-CZ 4.22Å; R57-Y430 VanDerWaalsContact NE-CD2 3.34Å
58	G	96.2	Very high	97.3	Very high	12 Å²	12	18.7 Å²	18.7	12%	0.124	9%	0.094	C	C	.	.	H	α-helix	trans	64.5	-145.2	168.1	0	0	0	0	0	112.9	I60 A61 C62 H88	G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 2.86Å; G58-A61 PolarHBondContact O-N 3.34Å; G58-C62 PolarHBondContact O-N 3.49Å; G58-C62 PolarHBondContact O-SG 3.34Å; G58-C62 VanDerWaalsContact O-SG 3.4Å; G58-H88 PolarHBondContact N-ND1 2.87Å
59	E	97.2	Very high	98	Very high	11 Å²	11	19.1 Å²	19.1	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-40.3	-171.1	77.9	80.2	-172	0	0	112.6	A61 C62 R63 Y129 M433 K436	E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.19Å; E59-C62 CarbonylContact O-C 3.6Å; E59-C62 WeakPolarHBondContact O-CB 3.34Å; E59-C62 PolarHBondContact O-N 2.96Å; E59-R63 WeakPolarHBondContact O-CB 3.4Å; E59-R63 PolarHBondContact O-N 2.85Å; E59-Y129 VanDerWaalsContact CD-OH 3.27Å; E59-Y129 WeakPolarHBondContact CG-OH 3.48Å; E59-Y129 WeakPolarHBondContact OE1-CE1 3.2Å; E59-Y129 PolarHBondContact OE1-OH 3.14Å; E59-M433 HydrophobicContact CG-CE 3.9Å; E59-K436 VanDerWaalsContact CD-CE 3.41Å; E59-K436 VanDerWaalsContact CD-NZ 3.29Å; E59-K436 WeakPolarHBondContact OE1-CE 3.36Å; E59-K436 IonicContact OE1-NZ 2.76Å; E59-K436 PolarHBondContact OE1-NZ 3.3Å; E59-K436 WeakPolarHBondContact OE2-CE 3.37Å; E59-K436 IonicContact OE2-NZ 3.88Å; E59-K436 PolarHBondContact OE2-NZ 2.73Å
60	I	98.1	Very high	98.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-177.5	-176.4	56.2	0	0	0	112.2	N56 R57 G58 C62 R63 V64 Y129 L340	N56-I60 HydrophobicContact CB-CG2 4.09Å; N56-I60 WeakPolarHBondContact OD1-CG2 3.28Å; R57-I60 VanDerWaalsContact O-CG2 3.29Å; R57-I60 WeakPolarHBondContact O-CG2 3.44Å; G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 2.86Å; I60-C62 VanDerWaalsContact C-N 3.34Å; I60-R63 HydrophobicContact CD1-CB 4.24Å; I60-R63 HydrophobicContact CD1-CG 4.17Å; I60-R63 WeakPolarHBondContact O-CB 3.07Å; I60-R63 PolarHBondContact O-N 3.16Å; I60-V64 HydrophobicContact CD1-CG2 4.13Å; I60-V64 HydrophobicContact CG1-CG2 4.49Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.48Å; I60-V64 PolarHBondContact O-N 3.26Å; I60-Y129 HydrophobicContact CB-CD1 4.1Å; I60-Y129 HydrophobicContact CB-CE1 3.44Å; I60-Y129 VanDerWaalsContact CB-CE1 3.44Å; I60-Y129 HydrophobicContact CB-CE2 4.21Å; I60-Y129 VanDerWaalsContact CB-CZ 3.48Å; I60-Y129 HydrophobicContact CD1-CD1 3.79Å; I60-Y129 HydrophobicContact CD1-CE1 3.61Å; I60-Y129 HydrophobicContact CG1-CD1 3.68Å; I60-Y129 HydrophobicContact CG1-CE1 3.5Å; I60-Y129 HydrophobicContact CG1-CG 4.37Å; I60-Y129 HydrophobicContact CG2-CE1 4.11Å; I60-Y129 HydrophobicContact CG2-CE2 3.97Å; I60-L340 HydrophobicContact CD1-CD2 4.17Å
61	A	98.4	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-45.6	173.9	0	0	0	0	0	110.5	I54 G58 E59 R63 V64 M65 H88	I54-A61 HydrophobicContact CG2-CB 4.02Å; G58-A61 PolarHBondContact O-N 3.34Å; E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.19Å; A61-R63 PolarHBondContact O-N 3.2Å; A61-V64 PolarHBondContact O-N 3.37Å; A61-M65 HydrophobicContact CB-CE 4.18Å; A61-M65 WeakPolarHBondContact O-CB 3.35Å; A61-M65 WeakPolarHBondContact O-CG 3.28Å; A61-M65 PolarHBondContact O-N 2.95Å; A61-H88 HydrophobicContact CB-CB 3.6Å
62	C	98.5	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-42.7	174.5	-59.7	0	0	0	0	112.1	G58 E59 I60 V64 M65 R66 M91	G58-C62 PolarHBondContact O-N 3.49Å; G58-C62 PolarHBondContact O-SG 3.34Å; G58-C62 VanDerWaalsContact O-SG 3.4Å; E59-C62 CarbonylContact O-C 3.6Å; E59-C62 WeakPolarHBondContact O-CB 3.34Å; E59-C62 PolarHBondContact O-N 2.96Å; I60-C62 VanDerWaalsContact C-N 3.34Å; C62-V64 VanDerWaalsContact C-N 3.34Å; C62-V64 PolarHBondContact O-N 2.72Å; C62-M65 PolarHBondContact O-N 2.86Å; C62-R66 WeakPolarHBondContact O-CG 3.47Å; C62-R66 PolarHBondContact O-N 2.63Å; C62-M91 HydrophobicContact CB-SD 3.88Å
63	R	98.3	Very high	98	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-46.7	176.5	169.7	66.2	-167.1	90.2	-9.1	111.5	E59 I60 A61 T67 H344 E348 D354 V356 R415 E417	E59-R63 WeakPolarHBondContact O-CB 3.4Å; E59-R63 PolarHBondContact O-N 2.85Å; I60-R63 HydrophobicContact CD1-CB 4.24Å; I60-R63 HydrophobicContact CD1-CG 4.17Å; I60-R63 WeakPolarHBondContact O-CB 3.07Å; I60-R63 PolarHBondContact O-N 3.16Å; A61-R63 PolarHBondContact O-N 3.2Å; R63-T67 PolarHBondContact NH1-OG1 3.24Å; R63-H344 PolarHBondContact NE-NE2 2.76Å; R63-E348 IonicContact CZ-OE1 2.75Å; R63-E348 IonicContact CZ-OE2 2.99Å; R63-E348 IonicContact NE-OE2 2.69Å; R63-E348 VanDerWaalsContact NH2-CD 3.31Å; R63-E348 IonicContact NH2-OE1 3.99Å; R63-E348 PolarHBondContact NH2-OE1 3.25Å; R63-E348 IonicContact NH2-OE2 3.1Å; R63-E348 PolarHBondContact NH2-OE2 3.32Å; R63-E348 VanDerWaalsContact NH2-OE2 3.11Å; R63-D354 IonicContact CZ-OD1 3.83Å; R63-D354 IonicContact NH1-OD1 2.71Å; R63-D354 IonicContact NH2-OD1 3.7Å; R63-D354 PolarHBondContact NH2-OD1 2.98Å; R63-V356 HydrophobicContact CG-CG2 4.38Å; R63-R415 VanDerWaalsContact CD-NH2 3.25Å; R63-E417 WeakPolarHBondContact CB-OE2 3.29Å; R63-E417 WeakPolarHBondContact CD-OE2 3.43Å
64	V	98.7	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-44.6	-179.6	174.2	0	0	0	0	110.8	I54 I60 A61 C62 R66 T67 A68 H126 V356	I54-V64 HydrophobicContact CG1-CB 4.22Å; I54-V64 HydrophobicContact CG1-CG1 3.72Å; I54-V64 HydrophobicContact CG2-CB 4.45Å; I60-V64 HydrophobicContact CD1-CG2 4.13Å; I60-V64 HydrophobicContact CG1-CG2 4.49Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.48Å; I60-V64 PolarHBondContact O-N 3.26Å; A61-V64 PolarHBondContact O-N 3.37Å; C62-V64 VanDerWaalsContact C-N 3.34Å; C62-V64 PolarHBondContact O-N 2.72Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.2Å; V64-T67 PolarHBondContact O-N 3.01Å; V64-A68 PolarHBondContact O-N 3.21Å; V64-H126 HydrophobicContact CG1-CB 4Å; V64-H126 VanDerWaalsContact CG2-CE1 3.46Å; V64-H126 WeakPolarHBondContact CG2-CE1 3.23Å; V64-H126 WeakPolarHBondContact CG2-ND1 3.41Å; V64-V356 HydrophobicContact CB-CG1 4.4Å; V64-V356 HydrophobicContact CG1-CG1 4.17Å; V64-V356 HydrophobicContact CG2-CG1 4.26Å; V64-V356 HydrophobicContact CG2-CG2 4.39Å
65	M	98.6	Very high	98	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-35.8	178	-68.9	168.3	-170.1	0	0	112.6	I54 A61 C62 T67 A68 R69 A77 H88 M91 A92	I54-M65 HydrophobicContact CB-CE 4.27Å; I54-M65 HydrophobicContact CD1-CE 3.94Å; I54-M65 HydrophobicContact CD1-CG 3.86Å; I54-M65 HydrophobicContact CG1-CE 4.3Å; I54-M65 HydrophobicContact CG1-CG 4.3Å; A61-M65 HydrophobicContact CB-CE 4.18Å; A61-M65 WeakPolarHBondContact O-CB 3.35Å; A61-M65 WeakPolarHBondContact O-CG 3.28Å; A61-M65 PolarHBondContact O-N 2.95Å; C62-M65 PolarHBondContact O-N 2.86Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 2.9Å; M65-A68 PolarHBondContact O-N 3.19Å; M65-R69 VanDerWaalsContact O-CB 3.31Å; M65-R69 WeakPolarHBondContact O-CB 3.32Å; M65-R69 PolarHBondContact O-N 3.07Å; M65-A77 HydrophobicContact CE-CB 3.68Å; M65-H88 HydrophobicContact CE-CB 4.26Å; M65-H88 HydrophobicContact SD-CB 4.39Å; M65-M91 HydrophobicContact CB-CE 3.56Å; M65-M91 HydrophobicContact CB-CG 4.27Å; M65-M91 HydrophobicContact CB-SD 4.02Å; M65-M91 HydrophobicContact SD-CB 4.15Å; M65-M91 HydrophobicContact SD-CG 4.17Å; M65-M91 HydrophobicContact SD-SD 4.47Å; M65-A92 HydrophobicContact CE-CB 3.84Å; M65-A92 HydrophobicContact SD-CB 4.01Å
66	R	98.2	Very high	98	Very high	82 Å²	82	32 Å²	32	31%	0.309	16%	0.16	S	C	.	.	H	α-helix	trans	-58.4	-45.5	175.8	-83.8	-166.9	-80.1	-97.5	-6.1	110.9	C62 V64 K70 M91 E417	C62-R66 WeakPolarHBondContact O-CG 3.47Å; C62-R66 PolarHBondContact O-N 2.63Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.2Å; R66-K70 PolarHBondContact O-N 3.06Å; R66-K70 VanDerWaalsContact O-N 3.12Å; R66-M91 HydrophobicContact CB-CE 4.13Å; R66-M91 HydrophobicContact CG-CE 3.49Å; R66-M91 VanDerWaalsContact CG-CE 3.49Å; R66-M91 VanDerWaalsContact N-CE 3.33Å; R66-E417 IonicContact CZ-OE2 2.77Å; R66-E417 IonicContact NH2-OE1 3.96Å; R66-E417 PolarHBondContact NH2-OE1 2.81Å; R66-E417 IonicContact NH2-OE2 3.73Å; R66-E417 PolarHBondContact NH2-OE2 3.16Å
67	T	98.4	Very high	98	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-73.9	-40.9	178.3	-67.8	0	0	0	0	112.1	R63 V64 M65 R69 K70 L71 D354 V356 E357 L360	R63-T67 PolarHBondContact NH1-OG1 3.24Å; V64-T67 PolarHBondContact O-N 3.01Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 2.9Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 3.1Å; T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 3.09Å; T67-L71 HydrophobicContact CG2-CD1 3.96Å; T67-L71 HydrophobicContact CG2-CG 4.43Å; T67-L71 WeakPolarHBondContact O-CG 3.33Å; T67-L71 PolarHBondContact O-N 3.17Å; T67-D354 WeakPolarHBondContact CG2-OD2 3.02Å; T67-D354 PolarHBondContact OG1-OD1 3.13Å; T67-D354 PolarHBondContact OG1-OD2 3.31Å; T67-V356 HydrophobicContact CG2-CB 4.09Å; T67-V356 HydrophobicContact CG2-CG1 3.92Å; T67-E357 HydrophobicContact CG2-CB 3.72Å; T67-L360 HydrophobicContact CG2-CD1 4.29Å
68	A	98.1	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-48.2	174.9	0	0	0	0	0	111	V52 V64 M65 K70 L71 G72 V73	V52-A68 HydrophobicContact CG1-CB 4.11Å; V64-A68 PolarHBondContact O-N 3.21Å; M65-A68 PolarHBondContact O-N 3.19Å; A68-K70 PolarHBondContact O-N 2.68Å; A68-L71 CarbonylContact O-C 3.6Å; A68-L71 PolarHBondContact O-N 3.03Å; A68-L71 VanDerWaalsContact O-N 3.09Å; A68-G72 PolarHBondContact O-N 3.3Å; A68-G72 VanDerWaalsContact O-N 3.1Å; A68-V73 CarbonylContact C-O 3.35Å; A68-V73 HydrophobicContact CB-CB 4.17Å; A68-V73 PolarHBondContact O-N 3.42Å
69	R	97.8	Very high	98.2	Very high	137 Å²	137	30.6 Å²	30.6	52%	0.517	15%	0.151	S	C	.	.	H	α-helix	trans	-60.3	-43.7	176.2	-173.4	-178.9	-63.6	158.7	0.4	112.8	M65 T67 L71 G72 M91	M65-R69 VanDerWaalsContact O-CB 3.31Å; M65-R69 WeakPolarHBondContact O-CB 3.32Å; M65-R69 PolarHBondContact O-N 3.07Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 3.1Å; R69-L71 PolarHBondContact O-N 2.84Å; R69-G72 PolarHBondContact O-N 2.88Å; R69-M91 PolarHBondContact NH2-O 3.27Å
70	K	97.5	Very high	98.2	Very high	135 Å²	135	30.1 Å²	30.1	59%	0.587	15%	0.149	S	C	*	.	H	α-helix	trans	-57.6	-33.9	175.7	178.9	-167.9	172.2	-154.2	0	112	R66 T67 A68 D354 E357	R66-K70 PolarHBondContact O-N 3.06Å; R66-K70 VanDerWaalsContact O-N 3.12Å; T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 3.09Å; A68-K70 PolarHBondContact O-N 2.68Å; K70-D354 IonicContact NZ-OD2 3.91Å; K70-E357 IonicContact NZ-OE2 2.64Å; K70-E357 PolarHBondContact NZ-OE2 2.82Å
71	L	96.9	Very high	98.1	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.325	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.4	179.2	-63	174.1	0	0	0	113.7	T67 A68 R69 V73 E357 L360	T67-L71 HydrophobicContact CG2-CD1 3.96Å; T67-L71 HydrophobicContact CG2-CG 4.43Å; T67-L71 WeakPolarHBondContact O-CG 3.33Å; T67-L71 PolarHBondContact O-N 3.17Å; A68-L71 CarbonylContact O-C 3.6Å; A68-L71 PolarHBondContact O-N 3.03Å; A68-L71 VanDerWaalsContact O-N 3.09Å; R69-L71 PolarHBondContact O-N 2.84Å; L71-V73 VanDerWaalsContact C-N 3.3Å; L71-V73 HydrophobicContact CB-CG2 4.04Å; L71-E357 HydrophobicContact CD1-CB 4.24Å; L71-E357 HydrophobicContact CD1-CG 4.01Å; L71-E357 HydrophobicContact CD2-CG 4.05Å; L71-L360 HydrophobicContact CD1-CB 4.4Å; L71-L360 HydrophobicContact CD1-CD1 3.75Å
72	G	96.9	Very high	97.9	Very high	66 Å²	66	37.8 Å²	37.8	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	20.9	-175.1	0	0	0	0	0	114.1	A68 R69	A68-G72 PolarHBondContact O-N 3.3Å; A68-G72 VanDerWaalsContact O-N 3.1Å; R69-G72 PolarHBondContact O-N 2.88Å
73	V	98.1	Very high	97.8	Very high	16 Å²	16	38 Å²	38	10%	0.097	19%	0.194	C	C	.	.			trans	-91	126.9	175.9	-178.5	0	0	0	0	109	I49 V52 A68 L71	I49-V73 HydrophobicContact CG2-CG1 4.24Å; I49-V73 WeakPolarHBondContact O-CG2 3.49Å; V52-V73 HydrophobicContact CB-CG1 4.22Å; V52-V73 HydrophobicContact CG1-CG1 3.86Å; A68-V73 CarbonylContact C-O 3.35Å; A68-V73 HydrophobicContact CB-CB 4.17Å; A68-V73 PolarHBondContact O-N 3.42Å; L71-V73 VanDerWaalsContact C-N 3.3Å; L71-V73 HydrophobicContact CB-CG2 4.04Å
74	Q	98.5	Very high	97.7	Very high	93 Å²	93	43.5 Å²	43.5	44%	0.435	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.9	176.2	-64.5	-176.2	-51.5	0	0	111	T50 K51 V52	T50-Q74 PolarHBondContact O-N 2.69Å; K51-Q74 CarbonylContact C-O 3.54Å; K51-Q74 VanDerWaalsContact CA-O 3.3Å; K51-Q74 WeakPolarHBondContact CA-O 3.49Å; K51-Q74 HydrophobicContact CB-CB 4.1Å; K51-Q74 HydrophobicContact CG-CB 3.96Å; V52-Q74 PolarHBondContact N-O 3.03Å
75	S	98.6	Very high	97.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130	-174.3	57.5	0	0	0	0	112.1	D93 E94	S75-D93 PolarHBondContact N-OD2 3.34Å; S75-D93 WeakPolarHBondContact O-CB 3.31Å; S75-D93 PolarHBondContact O-N 3.24Å; S75-D93 PolarHBondContact OG-N 3.18Å; S75-D93 PolarHBondContact OG-OD2 2.94Å; S75-E94 PolarHBondContact O-N 3.43Å
76	V	98.8	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	174.7	-175.6	0	0	0	0	109.1	K51 V52 L53 I54 E94 Y96 V116	K51-V76 HydrophobicContact CD-CG2 3.71Å; K51-V76 HydrophobicContact CG-CG2 3.79Å; V52-V76 PolarHBondContact O-N 3.01Å; L53-V76 CarbonylContact C-O 3.47Å; L53-V76 WeakPolarHBondContact CA-O 3.28Å; L53-V76 HydrophobicContact CB-CB 4.2Å; L53-V76 HydrophobicContact CD1-CG1 4.2Å; L53-V76 HydrophobicContact CG-CB 4.4Å; L53-V76 HydrophobicContact CG-CG1 4.38Å; I54-V76 WeakPolarHBondContact CD1-O 3.28Å; I54-V76 PolarHBondContact N-O 3.43Å; V76-E94 CarbonylContact C-O 3.52Å; V76-E94 WeakPolarHBondContact CA-O 3.48Å; V76-E94 HydrophobicContact CG1-CB 4.39Å; V76-E94 HydrophobicContact CG2-CB 4.33Å; V76-Y96 HydrophobicContact CG1-CD2 3.64Å; V76-Y96 HydrophobicContact CG1-CE2 3.74Å; V76-V116 HydrophobicContact CG1-CG1 4.3Å
77	A	98.8	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	152	170.8	0	0	0	0	0	111.7	M65 A92 E94 A95 Y96	M65-A77 HydrophobicContact CE-CB 3.68Å; A77-A92 HydrophobicContact CB-CB 3.51Å; A77-E94 PolarHBondContact N-O 3.33Å; A77-A95 HydrophobicContact CB-CB 4.01Å; A77-A95 WeakPolarHBondContact O-CA 3.41Å; A77-Y96 PolarHBondContact O-N 2.96Å
78	V	98.7	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.5	159.6	-65.8	0	0	0	0	109.5	L53 H88 Y96 I98 Y107 I113 V116	L53-V78 HydrophobicContact CD1-CG1 4.04Å; L53-V78 HydrophobicContact CD2-CG1 4.27Å; L53-V78 HydrophobicContact CG-CG1 4.33Å; V78-H88 PolarHBondContact O-NE2 2.82Å; V78-Y96 WeakPolarHBondContact CA-O 3.49Å; V78-I98 HydrophobicContact CB-CD1 3.96Å; V78-I98 HydrophobicContact CB-CG1 4.28Å; V78-I98 HydrophobicContact CB-CG2 3.84Å; V78-I98 HydrophobicContact CG1-CG2 3.92Å; V78-I98 HydrophobicContact CG2-CD1 3.96Å; V78-Y107 HydrophobicContact CG2-CD1 4.21Å; V78-Y107 HydrophobicContact CG2-CE1 4.07Å; V78-I113 HydrophobicContact CB-CD1 4.24Å; V78-I113 HydrophobicContact CG1-CD1 4.08Å; V78-I113 HydrophobicContact CG2-CD1 3.78Å; V78-V116 HydrophobicContact CG1-CB 4.27Å; V78-V116 HydrophobicContact CG1-CG1 4.02Å; V78-V116 HydrophobicContact CG1-CG2 4.33Å
79	Y	98.6	Very high	97.4	Very high	30 Å²	30	49 Å²	49	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.6	179.5	68.2	-86.4	0	0	0	113.2	R84 V89 A95 Y96 S97 I98 Y107	Y79-R84 HydrophobicContact CD2-CB 4.22Å; Y79-R84 HydrophobicContact CE2-CB 4.06Å; Y79-R84 HydrophobicContact CE2-CG 4.08Å; Y79-V89 VanDerWaalsContact CB-CG2 3.44Å; Y79-V89 HydrophobicContact CD1-CG1 4.32Å; Y79-V89 HydrophobicContact CD1-CG2 3.89Å; Y79-V89 HydrophobicContact CG-CG2 3.73Å; Y79-A95 HydrophobicContact CD1-CB 4.02Å; Y79-A95 HydrophobicContact CE1-CB 4.01Å; Y79-Y96 VanDerWaalsContact CD1-C 3.43Å; Y79-Y96 VanDerWaalsContact CD1-O 3.27Å; Y79-Y96 WeakPolarHBondContact CD1-O 3.18Å; Y79-Y96 PolarHBondContact N-O 2.93Å; Y79-S97 VanDerWaalsContact CE1-N 3.32Å; Y79-S97 CarbonylContact O-C 3.33Å; Y79-S97 WeakPolarHBondContact O-CA 3.43Å; Y79-I98 VanDerWaalsContact O-CG1 3.24Å; Y79-I98 WeakPolarHBondContact O-CG1 3.43Å; Y79-I98 PolarHBondContact O-N 3.46Å; Y79-Y107 WeakPolarHBondContact CA-OH 3.49Å
80	S	97.9	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.			trans	-81.4	168.1	167	75.3	0	0	0	0	110.8	A82 D83 R84 G99 Y107 Y430	S80-A82 PolarHBondContact O-N 3.18Å; S80-A82 VanDerWaalsContact O-N 3.13Å; S80-A82 PolarHBondContact OG-N 2.86Å; S80-D83 PolarHBondContact O-N 2.91Å; S80-D83 PolarHBondContact OG-N 3.37Å; S80-D83 PolarHBondContact OG-OD2 3.33Å; S80-R84 PolarHBondContact O-N 3.02Å; S80-G99 CarbonylContact C-O 3.56Å; S80-G99 VanDerWaalsContact CA-O 3.27Å; S80-G99 WeakPolarHBondContact CA-O 3.36Å; S80-Y107 PolarHBondContact N-OH 3.44Å; S80-Y430 WeakPolarHBondContact CB-OH 3.31Å; S80-Y430 PolarHBondContact OG-OH 3.47Å
81	E	96.2	Very high	97.4	Very high	114 Å²	114	41.8 Å²	41.8	53%	0.533	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.4	-35.2	173.7	-74.2	171.7	179.3	0	0	114.1	D83 G99	E81-D83 VanDerWaalsContact C-N 3.32Å; E81-G99 PolarHBondContact N-O 3.18Å
82	A	94	Very high	97.5	Very high	48 Å²	48	39.7 Å²	39.7	40%	0.397	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-72.3	-24.4	177.8	0	0	0	0	0	113.3	S80 A101 Y430	S80-A82 PolarHBondContact O-N 3.18Å; S80-A82 VanDerWaalsContact O-N 3.13Å; S80-A82 PolarHBondContact OG-N 2.86Å; A82-A101 HydrophobicContact CB-CB 3.61Å; A82-Y430 HydrophobicContact CB-CE2 4.18Å
83	D	96.9	Very high	97.6	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-97.6	8.5	-177.8	-72.9	-43.9	0	0	0	113.1	R57 S80 E81 N85 S86 V89 Y107 Y430	R57-D83 WeakPolarHBondContact CD-OD2 3.4Å; R57-D83 IonicContact CZ-OD1 3.55Å; R57-D83 IonicContact CZ-OD2 3.26Å; R57-D83 IonicContact NE-OD1 3.58Å; R57-D83 PolarHBondContact NE-OD1 3.1Å; R57-D83 IonicContact NE-OD2 3.49Å; R57-D83 PolarHBondContact NE-OD2 2.8Å; R57-D83 IonicContact NH2-OD1 3.53Å; R57-D83 PolarHBondContact NH2-OD1 2.76Å; R57-D83 IonicContact NH2-OD2 2.72Å; S80-D83 PolarHBondContact O-N 2.91Å; S80-D83 PolarHBondContact OG-N 3.37Å; S80-D83 PolarHBondContact OG-OD2 3.33Å; E81-D83 VanDerWaalsContact C-N 3.32Å; D83-N85 PolarHBondContact O-N 2.86Å; D83-S86 VanDerWaalsContact O-CB 3.24Å; D83-S86 WeakPolarHBondContact O-CB 3.5Å; D83-S86 PolarHBondContact O-N 3.48Å; D83-S86 PolarHBondContact O-OG 2.95Å; D83-V89 WeakPolarHBondContact O-CG2 3.35Å; D83-Y107 WeakPolarHBondContact CB-OH 3.41Å; D83-Y107 VanDerWaalsContact OD2-CE2 3.26Å; D83-Y107 WeakPolarHBondContact OD2-CE2 3.27Å; D83-Y107 VanDerWaalsContact OD2-CZ 3.3Å; D83-Y107 PolarHBondContact OD2-OH 2.81Å; D83-Y430 VanDerWaalsContact OD2-CE2 3.28Å; D83-Y430 WeakPolarHBondContact OD2-CE2 3.41Å
84	R	96.3	Very high	97.6	Very high	119 Å²	119	42.9 Å²	42.9	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.7	-175.1	-177.1	-179.4	-62.1	-83.9	0.5	114.2	Y79 S80	Y79-R84 HydrophobicContact CD2-CB 4.22Å; Y79-R84 HydrophobicContact CE2-CB 4.06Å; Y79-R84 HydrophobicContact CE2-CG 4.08Å; S80-R84 PolarHBondContact O-N 3.02Å
85	N	95.4	Very high	97.6	Very high	118 Å²	118	40.2 Å²	40.2	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	13.8	-177.6	-55.3	-32.9	0	0	0	112.7	D83 R421	D83-N85 PolarHBondContact O-N 2.86Å; N85-R421 PolarHBondContact O-NH2 3.25Å
86	S	96.3	Very high	97.6	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.098	23%	0.226	C	C	.	.			trans	-72.1	155.7	-176.9	63.9	0	0	0	0	112.1	D83 H88 V89 D90	D83-S86 VanDerWaalsContact O-CB 3.24Å; D83-S86 WeakPolarHBondContact O-CB 3.5Å; D83-S86 PolarHBondContact O-N 3.48Å; D83-S86 PolarHBondContact O-OG 2.95Å; S86-H88 VanDerWaalsContact C-N 3.28Å; S86-H88 PolarHBondContact O-N 3.3Å; S86-H88 PolarHBondContact OG-CE1 3.26Å; S86-H88 PolarHBondContact OG-ND1 2.86Å; S86-H88 VanDerWaalsContact OG-ND1 3.1Å; S86-V89 WeakPolarHBondContact O-CB 3.29Å; S86-V89 PolarHBondContact O-N 3.24Å; S86-V89 VanDerWaalsContact O-N 3.1Å; S86-V89 WeakPolarHBondContact OG-CG2 3.31Å; S86-D90 PolarHBondContact O-N 3.45Å
87	M	97.1	Very high	97.5	Very high	52 Å²	52	46.1 Å²	46.1	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-36.5	-175.5	-172	178.4	180	0	0	113.9	V89 D90 M91 T418 G419	M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 2.81Å; M87-D90 PolarHBondContact O-N 3.2Å; M87-M91 VanDerWaalsContact O-CB 3.27Å; M87-M91 WeakPolarHBondContact O-CB 3.41Å; M87-M91 PolarHBondContact O-N 3.23Å; M87-T418 HydrophobicContact SD-CG2 4.39Å; M87-G419 VanDerWaalsContact CB-O 3.31Å; M87-G419 WeakPolarHBondContact CB-O 3.16Å
88	H	98.1	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.7	-24.7	-178.3	73	-86.3	0	0	0	113	G58 A61 M65 V78 S86 A92	G58-H88 PolarHBondContact N-ND1 2.87Å; A61-H88 HydrophobicContact CB-CB 3.6Å; M65-H88 HydrophobicContact CE-CB 4.26Å; M65-H88 HydrophobicContact SD-CB 4.39Å; V78-H88 PolarHBondContact O-NE2 2.82Å; S86-H88 VanDerWaalsContact C-N 3.28Å; S86-H88 PolarHBondContact O-N 3.3Å; S86-H88 PolarHBondContact OG-CE1 3.26Å; S86-H88 PolarHBondContact OG-ND1 2.86Å; S86-H88 VanDerWaalsContact OG-ND1 3.1Å; H88-A92 PolarHBondContact O-N 3.19Å
89	V	98.2	Very high	97.4	Very high	20 Å²	20	47 Å²	47	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-48.5	173.8	172.9	0	0	0	0	109.9	Y79 D83 S86 M87 M91 A92 A95	Y79-V89 VanDerWaalsContact CB-CG2 3.44Å; Y79-V89 HydrophobicContact CD1-CG1 4.32Å; Y79-V89 HydrophobicContact CD1-CG2 3.89Å; Y79-V89 HydrophobicContact CG-CG2 3.73Å; D83-V89 WeakPolarHBondContact O-CG2 3.35Å; S86-V89 WeakPolarHBondContact O-CB 3.29Å; S86-V89 PolarHBondContact O-N 3.24Å; S86-V89 VanDerWaalsContact O-N 3.1Å; S86-V89 WeakPolarHBondContact OG-CG2 3.31Å; M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 2.81Å; V89-M91 PolarHBondContact O-N 2.96Å; V89-A92 PolarHBondContact O-N 3.2Å; V89-A95 HydrophobicContact CG1-CB 3.8Å
90	D	97.7	Very high	97.4	Very high	96 Å²	96	47.4 Å²	47.4	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-26.1	177.5	-72.7	-0.3	0	0	0	112.9	S86 M87 R421	S86-D90 PolarHBondContact O-N 3.45Å; M87-D90 PolarHBondContact O-N 3.2Å; D90-R421 IonicContact OD2-CZ 2.71Å; D90-R421 IonicContact OD2-NH1 3.87Å; D90-R421 PolarHBondContact OD2-NH1 3.01Å; D90-R421 IonicContact OD2-NH2 2.88Å; D90-R421 PolarHBondContact OD2-NH2 3.01Å
91	M	97.9	Very high	97.1	Very high	24 Å²	24	48 Å²	48	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-81.1	-27.8	-177.8	-175.4	174.5	172.4	0	0	113.3	C62 M65 R66 R69 M87 V89	C62-M91 HydrophobicContact CB-SD 3.88Å; M65-M91 HydrophobicContact CB-CE 3.56Å; M65-M91 HydrophobicContact CB-CG 4.27Å; M65-M91 HydrophobicContact CB-SD 4.02Å; M65-M91 HydrophobicContact SD-CB 4.15Å; M65-M91 HydrophobicContact SD-CG 4.17Å; M65-M91 HydrophobicContact SD-SD 4.47Å; R66-M91 HydrophobicContact CB-CE 4.13Å; R66-M91 HydrophobicContact CG-CE 3.49Å; R66-M91 VanDerWaalsContact CG-CE 3.49Å; R66-M91 VanDerWaalsContact N-CE 3.33Å; R69-M91 PolarHBondContact NH2-O 3.27Å; M87-M91 VanDerWaalsContact O-CB 3.27Å; M87-M91 WeakPolarHBondContact O-CB 3.41Å; M87-M91 PolarHBondContact O-N 3.23Å; V89-M91 PolarHBondContact O-N 2.96Å
92	A	98.3	Very high	96.8	Very high	17 Å²	17	45 Å²	45	14%	0.14	25%	0.254	C	S	.	.	S	Bend	trans	-75.4	156.9	-175.3	0	0	0	0	0	112.5	M65 A77 H88 V89 E94	M65-A92 HydrophobicContact CE-CB 3.84Å; M65-A92 HydrophobicContact SD-CB 4.01Å; A77-A92 HydrophobicContact CB-CB 3.51Å; H88-A92 PolarHBondContact O-N 3.19Å; V89-A92 PolarHBondContact O-N 3.2Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 VanDerWaalsContact CB-O 3.31Å; A92-E94 WeakPolarHBondContact CB-O 3.38Å
93	D	98.5	Very high	96.7	Very high	93 Å²	93	43.6 Å²	43.6	50%	0.497	24%	0.241	S	C	.	.	S	Bend	trans	-73.8	-31.6	174.3	-55.4	-71.3	0	0	0	111.1	S75	S75-D93 PolarHBondContact N-OD2 3.34Å; S75-D93 WeakPolarHBondContact O-CB 3.31Å; S75-D93 PolarHBondContact O-N 3.24Å; S75-D93 PolarHBondContact OG-N 3.18Å; S75-D93 PolarHBondContact OG-OD2 2.94Å
94	E	98.1	Very high	96.4	Very high	56 Å²	56	51.1 Å²	51.1	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.1	173.3	-63.9	170	-144.4	0	0	109.8	K51 S75 V76 A77 A92 Y96	K51-E94 IonicContact NZ-OE1 3.99Å; K51-E94 PolarHBondContact NZ-OE1 3.27Å; K51-E94 IonicContact NZ-OE2 2.8Å; S75-E94 PolarHBondContact O-N 3.43Å; V76-E94 CarbonylContact C-O 3.52Å; V76-E94 WeakPolarHBondContact CA-O 3.48Å; V76-E94 HydrophobicContact CG1-CB 4.39Å; V76-E94 HydrophobicContact CG2-CB 4.33Å; A77-E94 PolarHBondContact N-O 3.33Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 VanDerWaalsContact CB-O 3.31Å; A92-E94 WeakPolarHBondContact CB-O 3.38Å; E94-Y96 HydrophobicContact CB-CE2 3.97Å; E94-Y96 PolarHBondContact OE2-OH 2.9Å
95	A	98.5	Very high	96.2	Very high	37 Å²	37	50.7 Å²	50.7	31%	0.306	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.8	177.5	0	0	0	0	0	111.9	A77 Y79 V89	A77-A95 HydrophobicContact CB-CB 4.01Å; A77-A95 WeakPolarHBondContact O-CA 3.41Å; Y79-A95 HydrophobicContact CD1-CB 4.02Å; Y79-A95 HydrophobicContact CE1-CB 4.01Å; V89-A95 HydrophobicContact CG1-CB 3.8Å
96	Y	98.7	Very high	96.3	Very high	69 Å²	69	45 Å²	45	27%	0.271	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.9	-175.9	-67.2	-99.8	0	0	0	112.6	V76 A77 V78 Y79 E94 V116 T119	V76-Y96 HydrophobicContact CG1-CD2 3.64Å; V76-Y96 HydrophobicContact CG1-CE2 3.74Å; A77-Y96 PolarHBondContact O-N 2.96Å; V78-Y96 WeakPolarHBondContact CA-O 3.49Å; Y79-Y96 VanDerWaalsContact CD1-C 3.43Å; Y79-Y96 VanDerWaalsContact CD1-O 3.27Å; Y79-Y96 WeakPolarHBondContact CD1-O 3.18Å; Y79-Y96 PolarHBondContact N-O 2.93Å; E94-Y96 HydrophobicContact CB-CE2 3.97Å; E94-Y96 PolarHBondContact OE2-OH 2.9Å; Y96-V116 HydrophobicContact CD1-CG1 4.19Å; Y96-V116 HydrophobicContact CD2-CG1 3.55Å; Y96-V116 HydrophobicContact CE2-CG1 4.27Å; Y96-V116 HydrophobicContact CG-CG1 3.51Å; Y96-V116 HydrophobicContact CG-CG2 4.49Å; Y96-T119 HydrophobicContact CE1-CG2 4.43Å
97	S	98.3	Very high	96.3	Very high	57 Å²	57	44.4 Å²	44.4	40%	0.399	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.3	173.9	-179.6	0	0	0	0	111	Y79	Y79-S97 VanDerWaalsContact CE1-N 3.32Å; Y79-S97 CarbonylContact O-C 3.33Å; Y79-S97 WeakPolarHBondContact O-CA 3.43Å
98	I	98.2	Very high	96.3	Very high	4 Å²	4	45 Å²	45	2%	0.021	25%	0.249	C	C	.	.			trans	-115.7	17.2	177.3	55.8	166.1	0	0	0	112.5	V78 Y79 Y107 K112 I113 V116	V78-I98 HydrophobicContact CB-CD1 3.96Å; V78-I98 HydrophobicContact CB-CG1 4.28Å; V78-I98 HydrophobicContact CB-CG2 3.84Å; V78-I98 HydrophobicContact CG1-CG2 3.92Å; V78-I98 HydrophobicContact CG2-CD1 3.96Å; Y79-I98 VanDerWaalsContact O-CG1 3.24Å; Y79-I98 WeakPolarHBondContact O-CG1 3.43Å; Y79-I98 PolarHBondContact O-N 3.46Å; I98-Y107 HydrophobicContact CD1-CD1 3.74Å; I98-Y107 HydrophobicContact CD1-CE1 4.01Å; I98-Y107 HydrophobicContact CD1-CG 4.07Å; I98-K112 HydrophobicContact CB-CB 4.44Å; I98-K112 HydrophobicContact CB-CD 4.38Å; I98-K112 HydrophobicContact CG2-CB 4.38Å; I98-K112 WeakPolarHBondContact O-CD 3.4Å; I98-K112 PolarHBondContact O-NZ 2.9Å; I98-I113 HydrophobicContact CD1-CD1 3.93Å; I98-I113 HydrophobicContact CG2-CD1 4.35Å; I98-V116 HydrophobicContact CG2-CG2 3.94Å
99	G	97.1	Very high	96.3	Very high	15 Å²	15	46.3 Å²	46.3	16%	0.155	26%	0.258	C	S	.	.			trans	104.3	-155.2	171.4	0	0	0	0	0	114.3	S80 E81	S80-G99 CarbonylContact C-O 3.56Å; S80-G99 VanDerWaalsContact CA-O 3.27Å; S80-G99 WeakPolarHBondContact CA-O 3.36Å; E81-G99 PolarHBondContact N-O 3.18Å
100	P	96.8	Very high	96.3	Very high	37 Å²	37	47.9 Å²	47.9	24%	0.24	26%	0.264	C	S	.	.	S	Bend	trans	-73.5	169	-166	31	-36.3	0	0	0	112.8	P102 Q105 S106	P100-P102 VanDerWaalsContact C-CD 3.47Å; P100-Q105 HydrophobicContact CG-CB 3.87Å; P100-S106 VanDerWaalsContact O-CB 3.32Å; P100-S106 WeakPolarHBondContact O-CB 3.32Å; P100-S106 PolarHBondContact O-OG 3.41Å
101	A	92.7	Very high	96.2	Very high	13 Å²	13	51 Å²	51	11%	0.107	28%	0.276	C	S	.	.	S	Bend	trans	-56.9	-39.4	-172.9	0	0	0	0	0	116.2	A82 S103 H429 Y430	A82-A101 HydrophobicContact CB-CB 3.61Å; A101-S103 PolarHBondContact O-N 3.49Å; A101-H429 HydrophobicContact CB-CB 4.4Å; A101-H429 WeakPolarHBondContact CB-CD2 3.46Å; A101-H429 WeakPolarHBondContact CB-NE2 3.43Å; A101-Y430 PolarHBondContact O-OH 2.68Å
102	P	90.4	Very high	96.2	Very high	51 Å²	51	53.4 Å²	53.4	33%	0.331	29%	0.286	S	S	.	.	S	Bend	trans	-58.9	126.6	-179.8	-26	36.2	0	0	0	112.5	P100 Q104 Q105 S106	P100-P102 VanDerWaalsContact C-CD 3.47Å; P102-Q104 PolarHBondContact O-N 2.86Å; P102-Q104 VanDerWaalsContact O-N 3.17Å; P102-Q105 PolarHBondContact O-N 3.3Å; P102-S106 PolarHBondContact O-N 3Å; P102-S106 PolarHBondContact O-OG 3.18Å
103	S	91.8	Very high	96.3	Very high	18 Å²	18	52.6 Å²	52.6	13%	0.126	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-57.8	-34.5	-174.6	-65.4	0	0	0	0	113.5	A101 Q105 S106 Y107 L108 F131 Y430	A101-S103 PolarHBondContact O-N 3.49Å; S103-Q105 PolarHBondContact O-N 3.06Å; S103-S106 WeakPolarHBondContact CA-OG 3.33Å; S103-S106 CarbonylContact O-C 3.48Å; S103-S106 PolarHBondContact O-N 2.89Å; S103-S106 VanDerWaalsContact O-N 3.15Å; S103-Y107 PolarHBondContact O-N 3.12Å; S103-Y107 VanDerWaalsContact O-N 3.16Å; S103-L108 WeakPolarHBondContact O-CB 3.33Å; S103-L108 PolarHBondContact O-N 2.73Å; S103-F131 WeakPolarHBondContact OG-CE1 3.31Å; S103-Y430 WeakPolarHBondContact OG-CE1 3.34Å
104	Q	90.8	Very high	96.3	Very high	164 Å²	164	48.5 Å²	48.5	77%	0.766	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.2	176.7	-68.9	-178.5	6.6	0	0	113	P102 L108	P102-Q104 PolarHBondContact O-N 2.86Å; P102-Q104 VanDerWaalsContact O-N 3.17Å; Q104-L108 HydrophobicContact CG-CD1 4.15Å
105	Q	92.1	Very high	96.3	Very high	109 Å²	109	51.1 Å²	51.1	51%	0.509	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-98.7	-6.3	-179.1	-59.7	178.6	24.4	0	0	112.4	P100 P102 S103 K112	P100-Q105 HydrophobicContact CG-CB 3.87Å; P102-Q105 PolarHBondContact O-N 3.3Å; S103-Q105 PolarHBondContact O-N 3.06Å; Q105-K112 PolarHBondContact O-NZ 3.18Å
106	S	96.6	Very high	96.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-96.4	-178.7	51.7	0	0	0	0	111.4	P100 P102 S103 L108 S109	P100-S106 VanDerWaalsContact O-CB 3.32Å; P100-S106 WeakPolarHBondContact O-CB 3.32Å; P100-S106 PolarHBondContact O-OG 3.41Å; P102-S106 PolarHBondContact O-N 3Å; P102-S106 PolarHBondContact O-OG 3.18Å; S103-S106 WeakPolarHBondContact CA-OG 3.33Å; S103-S106 CarbonylContact O-C 3.48Å; S103-S106 PolarHBondContact O-N 2.89Å; S103-S106 VanDerWaalsContact O-N 3.15Å; S106-L108 PolarHBondContact O-N 3.25Å; S106-L108 VanDerWaalsContact O-N 3.09Å; S106-S109 WeakPolarHBondContact O-CB 3.5Å; S106-S109 PolarHBondContact O-N 2.68Å
107	Y	97.4	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.9	-171	-66.1	-76.6	0	0	0	115.3	R57 V78 Y79 S80 D83 I98 S103 F131 Y430	R57-Y107 HydrophobicContact CB-CE1 3.81Å; R57-Y107 HydrophobicContact CB-CE2 4.31Å; R57-Y107 WeakPolarHBondContact CB-OH 3.49Å; R57-Y107 HydrophobicContact CG-CE1 4.43Å; R57-Y107 HydrophobicContact CG-CE2 4.35Å; V78-Y107 HydrophobicContact CG2-CD1 4.21Å; V78-Y107 HydrophobicContact CG2-CE1 4.07Å; Y79-Y107 WeakPolarHBondContact CA-OH 3.49Å; S80-Y107 PolarHBondContact N-OH 3.44Å; D83-Y107 WeakPolarHBondContact CB-OH 3.41Å; D83-Y107 VanDerWaalsContact OD2-CE2 3.26Å; D83-Y107 WeakPolarHBondContact OD2-CE2 3.27Å; D83-Y107 VanDerWaalsContact OD2-CZ 3.3Å; D83-Y107 PolarHBondContact OD2-OH 2.81Å; I98-Y107 HydrophobicContact CD1-CD1 3.74Å; I98-Y107 HydrophobicContact CD1-CE1 4.01Å; I98-Y107 HydrophobicContact CD1-CG 4.07Å; S103-Y107 PolarHBondContact O-N 3.12Å; S103-Y107 VanDerWaalsContact O-N 3.16Å; Y107-F131 HydrophobicContact CD2-CE1 4.31Å; Y107-F131 HydrophobicContact CD2-CZ 4.26Å; Y107-F131 HydrophobicContact CG-CE1 4.14Å; Y107-F131 HydrophobicContact CG-CZ 4.18Å; Y107-Y430 AromaticContact CD2-CE1 3.91Å; Y107-Y430 HydrophobicContact CD2-CE1 3.91Å; Y107-Y430 AromaticContact CE2-CE1 3.81Å; Y107-Y430 HydrophobicContact CE2-CE1 3.81Å; Y107-Y430 AromaticContact CE2-CZ 3.84Å
108	L	96.8	Very high	96.3	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.346	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.6	174.2	-64.8	172	0	0	0	113.2	S103 Q104 S106 M110 F131 L132	S103-L108 WeakPolarHBondContact O-CB 3.33Å; S103-L108 PolarHBondContact O-N 2.73Å; Q104-L108 HydrophobicContact CG-CD1 4.15Å; S106-L108 PolarHBondContact O-N 3.25Å; S106-L108 VanDerWaalsContact O-N 3.09Å; L108-M110 PolarHBondContact O-N 3.37Å; L108-M110 VanDerWaalsContact O-N 3.15Å; L108-F131 HydrophobicContact CD2-CB 4.09Å; L108-F131 HydrophobicContact CD2-CD1 4.02Å; L108-F131 HydrophobicContact CG-CD1 4.14Å; L108-L132 HydrophobicContact CD2-CD2 4.28Å
109	S	97.3	Very high	96.3	Very high	26 Å²	26	52.6 Å²	52.6	18%	0.182	27%	0.271	C	S	.	.			trans	-82.1	92.1	178.9	-175.7	0	0	0	0	110.5	S106 E111 K112 I113	S106-S109 WeakPolarHBondContact O-CB 3.5Å; S106-S109 PolarHBondContact O-N 2.68Å; S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.38Å; S109-K112 PolarHBondContact O-N 2.9Å; S109-K112 WeakPolarHBondContact OG-CG 3.46Å; S109-I113 WeakPolarHBondContact O-CG1 3.18Å; S109-I113 PolarHBondContact O-N 3.35Å; S109-I113 VanDerWaalsContact O-N 3.17Å
110	M	98	Very high	96.3	Very high	53 Å²	53	52 Å²	52	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-51.9	-46.1	-179.5	-60.2	-178.5	-147.4	0	0	112.5	L108 K112 I113 I114 L132 N135 E137 F138 L141	L108-M110 PolarHBondContact O-N 3.37Å; L108-M110 VanDerWaalsContact O-N 3.15Å; M110-K112 PolarHBondContact O-N 2.89Å; M110-I113 PolarHBondContact O-N 3.48Å; M110-I114 WeakPolarHBondContact O-CG1 3.17Å; M110-I114 PolarHBondContact O-N 3.46Å; M110-L132 HydrophobicContact CE-CD2 4.35Å; M110-L132 HydrophobicContact CG-CD1 4.19Å; M110-L132 HydrophobicContact CG-CD2 3.85Å; M110-N135 VanDerWaalsContact CE-OD1 3.29Å; M110-N135 WeakPolarHBondContact CE-OD1 3.38Å; M110-E137 HydrophobicContact CE-CB 4.36Å; M110-E137 HydrophobicContact SD-CB 4.29Å; M110-F138 HydrophobicContact CB-CD2 3.82Å; M110-F138 HydrophobicContact CB-CE2 4.39Å; M110-F138 HydrophobicContact CG-CB 4.13Å; M110-F138 HydrophobicContact CG-CD2 3.74Å; M110-F138 HydrophobicContact CG-CG 4.31Å; M110-F138 HydrophobicContact SD-CB 3.9Å; M110-F138 HydrophobicContact SD-CD2 4.38Å; M110-L141 HydrophobicContact CB-CD2 4.12Å
111	E	97	Very high	96.3	Very high	162 Å²	162	53.2 Å²	53.2	76%	0.757	28%	0.278	S	S	*	.	H	α-helix	trans	-57.3	-45.9	-179.8	-65.9	176.1	-178	0	0	112.2	S109 I114 Q115	S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 3.38Å; E111-I114 PolarHBondContact O-N 3.36Å; E111-Q115 VanDerWaalsContact O-CB 3.31Å; E111-Q115 WeakPolarHBondContact O-CB 3.5Å; E111-Q115 PolarHBondContact O-N 3.02Å
112	K	98.1	Very high	96.6	Very high	74 Å²	74	53 Å²	53	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-43.9	178.9	-69.5	-178.2	-178.5	177.3	0	111.4	I98 Q105 S109 M110 Q115 V116	I98-K112 HydrophobicContact CB-CB 4.44Å; I98-K112 HydrophobicContact CB-CD 4.38Å; I98-K112 HydrophobicContact CG2-CB 4.38Å; I98-K112 WeakPolarHBondContact O-CD 3.4Å; I98-K112 PolarHBondContact O-NZ 2.9Å; Q105-K112 PolarHBondContact O-NZ 3.18Å; S109-K112 PolarHBondContact O-N 2.9Å; S109-K112 WeakPolarHBondContact OG-CG 3.46Å; M110-K112 PolarHBondContact O-N 2.89Å; K112-Q115 PolarHBondContact O-N 3.42Å; K112-V116 VanDerWaalsContact O-CG2 3.29Å; K112-V116 WeakPolarHBondContact O-CG2 3.46Å; K112-V116 PolarHBondContact O-N 3.24Å
113	I	98.5	Very high	96.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-45.6	179.4	-60	-61.3	0	0	0	111	L53 A55 V78 I98 S109 M110 V116 A117 I125 L132 F138	L53-I113 HydrophobicContact CD2-CG2 3.9Å; A55-I113 HydrophobicContact CB-CG2 3.81Å; V78-I113 HydrophobicContact CB-CD1 4.24Å; V78-I113 HydrophobicContact CG1-CD1 4.08Å; V78-I113 HydrophobicContact CG2-CD1 3.78Å; I98-I113 HydrophobicContact CD1-CD1 3.93Å; I98-I113 HydrophobicContact CG2-CD1 4.35Å; S109-I113 WeakPolarHBondContact O-CG1 3.18Å; S109-I113 PolarHBondContact O-N 3.35Å; S109-I113 VanDerWaalsContact O-N 3.17Å; M110-I113 PolarHBondContact O-N 3.48Å; I113-V116 PolarHBondContact O-N 2.89Å; I113-A117 PolarHBondContact O-N 3.06Å; I113-I125 HydrophobicContact CG2-CD1 4.26Å; I113-L132 HydrophobicContact CG1-CD1 4.17Å; I113-F138 HydrophobicContact CB-CE2 4.17Å; I113-F138 HydrophobicContact CB-CZ 4.3Å; I113-F138 HydrophobicContact CG2-CE2 4.02Å; I113-F138 HydrophobicContact CG2-CZ 3.66Å
114	I	98.5	Very high	97.3	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.1	-67.2	-65.2	0	0	0	111.2	M110 E111 V116 A117 K118 I125 F138 L141 E145 I147	M110-I114 WeakPolarHBondContact O-CG1 3.17Å; M110-I114 PolarHBondContact O-N 3.46Å; E111-I114 PolarHBondContact O-N 3.36Å; I114-V116 VanDerWaalsContact C-N 3.33Å; I114-V116 PolarHBondContact O-N 3.48Å; I114-A117 PolarHBondContact O-N 2.83Å; I114-K118 HydrophobicContact CG2-CD 4.29Å; I114-K118 WeakPolarHBondContact O-CG 3.38Å; I114-K118 PolarHBondContact O-N 3.31Å; I114-I125 HydrophobicContact CD1-CD1 4.13Å; I114-F138 HydrophobicContact CD1-CE2 4.06Å; I114-F138 HydrophobicContact CG1-CE2 4.12Å; I114-L141 HydrophobicContact CD1-CD2 4.46Å; I114-L141 HydrophobicContact CD1-CG 4.24Å; I114-L141 HydrophobicContact CG1-CD2 3.72Å; I114-L141 HydrophobicContact CG1-CG 3.96Å; I114-E145 HydrophobicContact CG2-CB 4.44Å; I114-E145 HydrophobicContact CG2-CG 3.96Å; I114-I147 HydrophobicContact CD1-CD1 4.03Å; I114-I147 HydrophobicContact CG2-CD1 4.45Å
115	Q	98.4	Very high	97.7	Very high	111 Å²	111	44.9 Å²	44.9	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-42.2	177.5	-176.5	58.3	37.7	0	0	111.8	E111 K112 K118 T119	E111-Q115 VanDerWaalsContact O-CB 3.31Å; E111-Q115 WeakPolarHBondContact O-CB 3.5Å; E111-Q115 PolarHBondContact O-N 3.02Å; K112-Q115 PolarHBondContact O-N 3.42Å; Q115-K118 PolarHBondContact O-N 3.42Å; Q115-T119 PolarHBondContact NE2-OG1 3.49Å; Q115-T119 WeakPolarHBondContact O-CB 3.35Å; Q115-T119 PolarHBondContact O-N 3.32Å; Q115-T119 PolarHBondContact O-OG1 2.96Å
116	V	98.6	Very high	98	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-44.3	175	179.9	0	0	0	0	111	L53 V76 V78 Y96 I98 K112 I113 I114 K118 T119 S120	L53-V116 HydrophobicContact CD1-CB 3.85Å; L53-V116 HydrophobicContact CD1-CG1 3.51Å; V76-V116 HydrophobicContact CG1-CG1 4.3Å; V78-V116 HydrophobicContact CG1-CB 4.27Å; V78-V116 HydrophobicContact CG1-CG1 4.02Å; V78-V116 HydrophobicContact CG1-CG2 4.33Å; Y96-V116 HydrophobicContact CD1-CG1 4.19Å; Y96-V116 HydrophobicContact CD2-CG1 3.55Å; Y96-V116 HydrophobicContact CE2-CG1 4.27Å; Y96-V116 HydrophobicContact CG-CG1 3.51Å; Y96-V116 HydrophobicContact CG-CG2 4.49Å; I98-V116 HydrophobicContact CG2-CG2 3.94Å; K112-V116 VanDerWaalsContact O-CG2 3.29Å; K112-V116 WeakPolarHBondContact O-CG2 3.46Å; K112-V116 PolarHBondContact O-N 3.24Å; I113-V116 PolarHBondContact O-N 2.89Å; I114-V116 VanDerWaalsContact C-N 3.33Å; I114-V116 PolarHBondContact O-N 3.48Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.36Å; V116-T119 PolarHBondContact O-N 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.36Å; V116-S120 PolarHBondContact O-N 2.94Å; V116-S120 PolarHBondContact O-OG 2.81Å
117	A	98.4	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-43.1	178.5	0	0	0	0	0	111.7	L53 I113 I114 S120 A121 A122 I125 I147	L53-A117 HydrophobicContact CD1-CB 4.05Å; I113-A117 PolarHBondContact O-N 3.06Å; I114-A117 PolarHBondContact O-N 2.83Å; A117-S120 PolarHBondContact O-OG 2.92Å; A117-A121 PolarHBondContact O-N 2.98Å; A117-A121 VanDerWaalsContact O-N 3.14Å; A117-A122 PolarHBondContact O-N 3.08Å; A117-I125 HydrophobicContact CB-CD1 3.84Å; A117-I125 HydrophobicContact CB-CG1 4.13Å; A117-I147 HydrophobicContact CB-CD1 3.76Å
118	K	98.1	Very high	98	Very high	98 Å²	98	40 Å²	40	43%	0.426	21%	0.21	S	C	.	.	H	α-helix	trans	-64	-47.7	174.2	-74	178.9	166.2	178.5	0	112.6	I114 Q115 V116 A121 E145 I147	I114-K118 HydrophobicContact CG2-CD 4.29Å; I114-K118 WeakPolarHBondContact O-CG 3.38Å; I114-K118 PolarHBondContact O-N 3.31Å; Q115-K118 PolarHBondContact O-N 3.42Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.36Å; K118-A121 PolarHBondContact O-N 2.95Å; K118-E145 VanDerWaalsContact CE-CD 3.49Å; K118-E145 WeakPolarHBondContact CE-OE2 3.27Å; K118-E145 IonicContact NZ-OE1 3.66Å; K118-E145 PolarHBondContact NZ-OE1 2.98Å; K118-E145 IonicContact NZ-OE2 2.69Å; K118-E145 PolarHBondContact NZ-OE2 2.97Å; K118-I147 HydrophobicContact CG-CD1 4.49Å
119	T	98.1	Very high	98	Very high	86 Å²	86	38.3 Å²	38.3	53%	0.528	20%	0.199	S	C	.	.	H	α-helix	trans	-67.3	-38.8	-175.7	-53.8	0	0	0	0	112.2	Y96 Q115 V116 A121	Y96-T119 HydrophobicContact CE1-CG2 4.43Å; Q115-T119 PolarHBondContact NE2-OG1 3.49Å; Q115-T119 WeakPolarHBondContact O-CB 3.35Å; Q115-T119 PolarHBondContact O-N 3.32Å; Q115-T119 PolarHBondContact O-OG1 2.96Å; V116-T119 PolarHBondContact O-N 3.26Å; T119-A121 VanDerWaalsContact C-N 3.26Å; T119-A121 PolarHBondContact O-N 2.84Å
120	S	98.1	Very high	97.8	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7	176.3	60.8	0	0	0	0	113.6	K51 V116 A117 A122	K51-S120 WeakPolarHBondContact CD-O 3.4Å; K51-S120 PolarHBondContact NZ-O 3.35Å; V116-S120 WeakPolarHBondContact O-CB 3.36Å; V116-S120 PolarHBondContact O-N 2.94Å; V116-S120 PolarHBondContact O-OG 2.81Å; A117-S120 PolarHBondContact O-OG 2.92Å; S120-A122 PolarHBondContact O-N 3.02Å
121	A	97.5	Very high	97.7	Very high	62 Å²	62	38.1 Å²	38.1	51%	0.512	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.2	-172.6	0	0	0	0	0	113.7	A117 K118 T119 Q123	A117-A121 PolarHBondContact O-N 2.98Å; A117-A121 VanDerWaalsContact O-N 3.14Å; K118-A121 PolarHBondContact O-N 2.95Å; T119-A121 VanDerWaalsContact C-N 3.26Å; T119-A121 PolarHBondContact O-N 2.84Å; A121-Q123 PolarHBondContact O-NE2 3.21Å
122	A	98	Very high	97.6	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	17%	0.167	C	C	.	.			trans	-67.2	131.2	173.2	0	0	0	0	0	110.3	K51 L53 A117 S120	K51-A122 HydrophobicContact CD-CB 4.5Å; K51-A122 HydrophobicContact CG-CB 4.3Å; L53-A122 HydrophobicContact CB-CB 3.84Å; A117-A122 PolarHBondContact O-N 3.08Å; S120-A122 PolarHBondContact O-N 3.02Å
123	Q	98.1	Very high	97.5	Very high	64 Å²	64	27.1 Å²	27.1	30%	0.299	15%	0.152	S	C	.	.	S	Bend	trans	-81.7	-22.1	179.9	-62.6	88.2	42.6	0	0	112.5	T50 K51 A121 I148	T50-Q123 PolarHBondContact OG1-OE1 2.97Å; K51-Q123 PolarHBondContact O-N 3.46Å; K51-Q123 PolarHBondContact O-OE1 2.94Å; A121-Q123 PolarHBondContact O-NE2 3.21Å; Q123-I148 PolarHBondContact O-N 2.96Å
124	A	98.5	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.3	-175	0	0	0	0	0	111.7	I49 V52 L53 I148 I150	I49-A124 HydrophobicContact CD1-CB 4.06Å; I49-A124 HydrophobicContact CG1-CB 4.35Å; I49-A124 HydrophobicContact CG2-CB 3.93Å; V52-A124 WeakPolarHBondContact CA-O 3.24Å; V52-A124 HydrophobicContact CG2-CB 4.3Å; L53-A124 PolarHBondContact N-O 2.97Å; A124-I148 CarbonylContact C-O 3.57Å; A124-I148 WeakPolarHBondContact CA-O 3.47Å; A124-I148 HydrophobicContact CB-CB 3.86Å; A124-I148 HydrophobicContact CB-CG2 4.37Å; A124-I148 WeakPolarHBondContact CB-O 3.49Å; A124-I150 HydrophobicContact CB-CD1 3.68Å; A124-I150 HydrophobicContact CB-CG1 3.94Å
125	I	98.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.8	172	-66.8	166	0	0	0	108.7	L53 A55 I113 I114 A117 F138 I147 I148 I150	L53-I125 HydrophobicContact CB-CG1 4.19Å; L53-I125 HydrophobicContact CD2-CG1 4.13Å; L53-I125 HydrophobicContact CD2-CG2 4.14Å; L53-I125 CarbonylContact O-C 3.58Å; L53-I125 VanDerWaalsContact O-CA 3.27Å; L53-I125 WeakPolarHBondContact O-CA 3.34Å; A55-I125 HydrophobicContact CB-CG2 3.64Å; I113-I125 HydrophobicContact CG2-CD1 4.26Å; I114-I125 HydrophobicContact CD1-CD1 4.13Å; A117-I125 HydrophobicContact CB-CD1 3.84Å; A117-I125 HydrophobicContact CB-CG1 4.13Å; I125-F138 HydrophobicContact CD1-CZ 4.09Å; I125-F138 HydrophobicContact CG2-CE1 4.18Å; I125-F138 HydrophobicContact CG2-CZ 4.19Å; I125-I147 HydrophobicContact CB-CG2 4.41Å; I125-I147 HydrophobicContact CD1-CD1 4.46Å; I125-I147 HydrophobicContact CD1-CG2 3.69Å; I125-I147 HydrophobicContact CG1-CG2 3.7Å; I125-I148 PolarHBondContact N-O 2.84Å; I125-I150 PolarHBondContact O-N 3.31Å
126	H	98.8	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.7	168.2	-165.6	-68.7	0	0	0	109.2	V52 L53 I54 A55 V64 G128 I150 Q359	V52-H126 HydrophobicContact CG2-CB 3.97Å; L53-H126 PolarHBondContact O-N 3.24Å; I54-H126 WeakPolarHBondContact CA-O 3.36Å; A55-H126 PolarHBondContact N-O 3.17Å; V64-H126 HydrophobicContact CG1-CB 4Å; V64-H126 VanDerWaalsContact CG2-CE1 3.46Å; V64-H126 WeakPolarHBondContact CG2-CE1 3.23Å; V64-H126 WeakPolarHBondContact CG2-ND1 3.41Å; H126-G128 VanDerWaalsContact C-N 3.33Å; H126-G128 PolarHBondContact ND1-N 3.18Å; H126-G128 PolarHBondContact O-N 3.4Å; H126-I150 HydrophobicContact CB-CB 4.48Å; H126-I150 HydrophobicContact CB-CD1 3.87Å; H126-Q359 PolarHBondContact NE2-OE1 3.29Å
127	P	98.2	Very high	96.8	Very high	5 Å²	5	34 Å²	34	3%	0.032	19%	0.185	C	C	.	.			trans	-80.4	-15.3	-176.2	34.4	-38.2	0	0	0	113.2	N56 Y129 F149 I150	N56-P127 PolarHBondContact ND2-O 3.42Å; P127-Y129 PolarHBondContact O-N 3.03Å; P127-F149 HydrophobicContact CB-CE2 3.98Å; P127-F149 HydrophobicContact CB-CZ 4.38Å; P127-F149 HydrophobicContact CG-CE2 3.72Å; P127-F149 HydrophobicContact CG-CZ 3.78Å; P127-I150 WeakPolarHBondContact CD-O 3.38Å
128	G	97.4	Very high	96.8	Very high	2 Å²	2	34 Å²	34	2%	0.021	19%	0.185	C	C	.	.			trans	69	-126.1	-173	0	0	0	0	0	110.2	H126	H126-G128 VanDerWaalsContact C-N 3.33Å; H126-G128 PolarHBondContact ND1-N 3.18Å; H126-G128 PolarHBondContact O-N 3.4Å
129	Y	95.8	Very high	96.8	Very high	30 Å²	30	29.5 Å²	29.5	12%	0.118	17%	0.166	C	C	.	.	S	Bend	trans	-134.6	155.3	174.3	54.7	-116.2	0	0	0	111.3	N56 E59 I60 P127 L340 V342 M433	N56-Y129 PolarHBondContact ND2-N 2.94Å; N56-Y129 PolarHBondContact ND2-O 3.49Å; E59-Y129 VanDerWaalsContact CD-OH 3.27Å; E59-Y129 WeakPolarHBondContact CG-OH 3.48Å; E59-Y129 WeakPolarHBondContact OE1-CE1 3.2Å; E59-Y129 PolarHBondContact OE1-OH 3.14Å; I60-Y129 HydrophobicContact CB-CD1 4.1Å; I60-Y129 HydrophobicContact CB-CE1 3.44Å; I60-Y129 VanDerWaalsContact CB-CE1 3.44Å; I60-Y129 HydrophobicContact CB-CE2 4.21Å; I60-Y129 VanDerWaalsContact CB-CZ 3.48Å; I60-Y129 HydrophobicContact CD1-CD1 3.79Å; I60-Y129 HydrophobicContact CD1-CE1 3.61Å; I60-Y129 HydrophobicContact CG1-CD1 3.68Å; I60-Y129 HydrophobicContact CG1-CE1 3.5Å; I60-Y129 HydrophobicContact CG1-CG 4.37Å; I60-Y129 HydrophobicContact CG2-CE1 4.11Å; I60-Y129 HydrophobicContact CG2-CE2 3.97Å; P127-Y129 PolarHBondContact O-N 3.03Å; Y129-L340 WeakPolarHBondContact CB-O 3.42Å; Y129-V342 HydrophobicContact CD1-CB 4.49Å; Y129-V342 HydrophobicContact CD1-CG2 3.93Å; Y129-V342 HydrophobicContact CD2-CG2 3.87Å; Y129-V342 HydrophobicContact CE1-CB 4.19Å; Y129-V342 HydrophobicContact CE1-CG1 4.25Å; Y129-V342 HydrophobicContact CE1-CG2 3.88Å; Y129-V342 HydrophobicContact CE2-CG2 3.88Å; Y129-V342 HydrophobicContact CG-CG2 3.94Å; Y129-M433 WeakPolarHBondContact OH-CE 3.07Å
130	G	92.9	Very high	96.8	Very high	30 Å²	30	28.3 Å²	28.3	31%	0.309	15%	0.154	S	C	.	.	S	Bend	trans	63.1	-167.9	-170.5	0	0	0	0	0	112.1	L132 S133	G130-L132 PolarHBondContact O-N 3.33Å; G130-L132 VanDerWaalsContact O-N 3.11Å; G130-S133 PolarHBondContact N-OG 3.41Å; G130-S133 WeakPolarHBondContact O-CB 3.35Å; G130-S133 PolarHBondContact O-N 2.75Å; G130-S133 PolarHBondContact O-OG 3.28Å
131	F	95.4	Very high	96.8	Very high	44 Å²	44	30 Å²	30	19%	0.193	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-116.7	-173.8	-60.3	-68.8	0	0	0	112.2	N56 R57 S103 Y107 L108	N56-F131 WeakPolarHBondContact OD1-CD2 3.38Å; N56-F131 VanDerWaalsContact OD1-CE2 3.32Å; N56-F131 WeakPolarHBondContact OD1-CE2 3.3Å; R57-F131 HydrophobicContact CG-CE2 4.02Å; R57-F131 HydrophobicContact CG-CZ 4.22Å; S103-F131 WeakPolarHBondContact OG-CE1 3.31Å; Y107-F131 HydrophobicContact CD2-CE1 4.31Å; Y107-F131 HydrophobicContact CD2-CZ 4.26Å; Y107-F131 HydrophobicContact CG-CE1 4.14Å; Y107-F131 HydrophobicContact CG-CZ 4.18Å; L108-F131 HydrophobicContact CD2-CB 4.09Å; L108-F131 HydrophobicContact CD2-CD1 4.02Å; L108-F131 HydrophobicContact CG-CD1 4.14Å
132	L	96.3	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	4.8	-175.8	-60.7	174.1	0	0	0	113.3	L108 M110 I113 G130 E134 N135 F138	L108-L132 HydrophobicContact CD2-CD2 4.28Å; M110-L132 HydrophobicContact CE-CD2 4.35Å; M110-L132 HydrophobicContact CG-CD1 4.19Å; M110-L132 HydrophobicContact CG-CD2 3.85Å; I113-L132 HydrophobicContact CG1-CD1 4.17Å; G130-L132 PolarHBondContact O-N 3.33Å; G130-L132 VanDerWaalsContact O-N 3.11Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.21Å; L132-N135 HydrophobicContact CB-CB 4.49Å; L132-N135 HydrophobicContact CD2-CB 4.2Å; L132-N135 PolarHBondContact O-N 3.39Å; L132-F138 HydrophobicContact CB-CB 4.37Å; L132-F138 HydrophobicContact CB-CD1 3.6Å; L132-F138 HydrophobicContact CB-CE1 3.99Å; L132-F138 HydrophobicContact CB-CG 3.96Å; L132-F138 HydrophobicContact CD1-CD1 4.14Å; L132-F138 HydrophobicContact CD1-CD2 3.83Å; L132-F138 HydrophobicContact CD1-CE1 4.14Å; L132-F138 HydrophobicContact CD1-CE2 3.82Å; L132-F138 HydrophobicContact CD1-CG 3.97Å; L132-F138 HydrophobicContact CD1-CZ 3.98Å; L132-F138 HydrophobicContact CD2-CB 4.43Å; L132-F138 HydrophobicContact CD2-CG 4.49Å; L132-F138 HydrophobicContact CG-CD1 4.41Å; L132-F138 HydrophobicContact CG-CG 4.36Å
133	S	96.1	Very high	96.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.9	-174.6	66.3	0	0	0	0	114.9	G130 R339	G130-S133 PolarHBondContact N-OG 3.41Å; G130-S133 WeakPolarHBondContact O-CB 3.35Å; G130-S133 PolarHBondContact O-N 2.75Å; G130-S133 PolarHBondContact O-OG 3.28Å; S133-R339 WeakPolarHBondContact OG-CD 3.25Å
134	E	93.1	Very high	96.6	Very high	74 Å²	74	36.7 Å²	36.7	35%	0.346	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	20.3	179.9	-58.7	-178.2	105.1	0	0	110.6	L132 I157 T338 R339	L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.21Å; E134-I157 WeakPolarHBondContact O-CG2 3.46Å; E134-T338 PolarHBondContact OE1-N 2.91Å; E134-T338 PolarHBondContact OE1-OG1 3.33Å; E134-R339 HydrophobicContact CG-CB 4.22Å; E134-R339 HydrophobicContact CG-CG 3.97Å; E134-R339 IonicContact OE1-NE 3.91Å; E134-R339 WeakPolarHBondContact OE2-CD 3.36Å; E134-R339 IonicContact OE2-CZ 3.79Å; E134-R339 IonicContact OE2-NE 2.7Å; E134-R339 PolarHBondContact OE2-NE 2.82Å
135	N	93.9	Very high	96.6	Very high	35 Å²	35	40.4 Å²	40.4	19%	0.187	20%	0.198	C	C	.	.			trans	-91.7	111.6	177.8	-176.3	-86.7	0	0	0	109.9	M110 L132 E137 F138 A139	M110-N135 VanDerWaalsContact CE-OD1 3.29Å; M110-N135 WeakPolarHBondContact CE-OD1 3.38Å; L132-N135 HydrophobicContact CB-CB 4.49Å; L132-N135 HydrophobicContact CD2-CB 4.2Å; L132-N135 PolarHBondContact O-N 3.39Å; N135-E137 PolarHBondContact ND2-OE2 2.84Å; N135-E137 PolarHBondContact OD1-N 3.15Å; N135-E137 PolarHBondContact OD1-OE2 2.73Å; N135-F138 HydrophobicContact CB-CB 4.06Å; N135-F138 PolarHBondContact O-N 3.35Å; N135-F138 VanDerWaalsContact OD1-CB 3.23Å; N135-F138 WeakPolarHBondContact OD1-CB 3.42Å; N135-F138 PolarHBondContact OD1-N 3.09Å; N135-A139 PolarHBondContact O-N 3.15Å
136	M	95.3	Very high	96.4	Very high	62 Å²	62	43.5 Å²	43.5	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-40.8	-177.8	174.1	-93.5	-61.2	0	0	112	F138 A139 E140 P154 I157 R158	M136-F138 VanDerWaalsContact C-N 3.29Å; M136-F138 PolarHBondContact O-N 3.3Å; M136-A139 PolarHBondContact O-N 3.46Å; M136-E140 PolarHBondContact O-N 3.48Å; M136-P154 HydrophobicContact CG-CB 4.1Å; M136-P154 WeakPolarHBondContact CG-O 3.35Å; M136-I157 HydrophobicContact CB-CB 4.44Å; M136-I157 HydrophobicContact CB-CG2 4.06Å; M136-R158 HydrophobicContact CG-CB 4.22Å
137	E	96.9	Very high	96.4	Very high	105 Å²	105	44 Å²	44	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-39.3	-179.9	-60.6	82.1	-166.9	0	0	111.5	M110 N135 E140 L141	M110-E137 HydrophobicContact CE-CB 4.36Å; M110-E137 HydrophobicContact SD-CB 4.29Å; N135-E137 PolarHBondContact ND2-OE2 2.84Å; N135-E137 PolarHBondContact OD1-N 3.15Å; N135-E137 PolarHBondContact OD1-OE2 2.73Å; E137-E140 PolarHBondContact O-N 3.44Å; E137-L141 VanDerWaalsContact O-CB 3.31Å; E137-L141 WeakPolarHBondContact O-CB 3.31Å; E137-L141 PolarHBondContact O-N 3.25Å
138	F	97.8	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-42	178.7	-177.9	-113.4	0	0	0	112.3	M110 I113 I114 I125 L132 N135 M136 E140 L141 C142 F149	M110-F138 HydrophobicContact CB-CD2 3.82Å; M110-F138 HydrophobicContact CB-CE2 4.39Å; M110-F138 HydrophobicContact CG-CB 4.13Å; M110-F138 HydrophobicContact CG-CD2 3.74Å; M110-F138 HydrophobicContact CG-CG 4.31Å; M110-F138 HydrophobicContact SD-CB 3.9Å; M110-F138 HydrophobicContact SD-CD2 4.38Å; I113-F138 HydrophobicContact CB-CE2 4.17Å; I113-F138 HydrophobicContact CB-CZ 4.3Å; I113-F138 HydrophobicContact CG2-CE2 4.02Å; I113-F138 HydrophobicContact CG2-CZ 3.66Å; I114-F138 HydrophobicContact CD1-CE2 4.06Å; I114-F138 HydrophobicContact CG1-CE2 4.12Å; I125-F138 HydrophobicContact CD1-CZ 4.09Å; I125-F138 HydrophobicContact CG2-CE1 4.18Å; I125-F138 HydrophobicContact CG2-CZ 4.19Å; L132-F138 HydrophobicContact CB-CB 4.37Å; L132-F138 HydrophobicContact CB-CD1 3.6Å; L132-F138 HydrophobicContact CB-CE1 3.99Å; L132-F138 HydrophobicContact CB-CG 3.96Å; L132-F138 HydrophobicContact CD1-CD1 4.14Å; L132-F138 HydrophobicContact CD1-CD2 3.83Å; L132-F138 HydrophobicContact CD1-CE1 4.14Å; L132-F138 HydrophobicContact CD1-CE2 3.82Å; L132-F138 HydrophobicContact CD1-CG 3.97Å; L132-F138 HydrophobicContact CD1-CZ 3.98Å; L132-F138 HydrophobicContact CD2-CB 4.43Å; L132-F138 HydrophobicContact CD2-CG 4.49Å; L132-F138 HydrophobicContact CG-CD1 4.41Å; L132-F138 HydrophobicContact CG-CG 4.36Å; N135-F138 HydrophobicContact CB-CB 4.06Å; N135-F138 PolarHBondContact O-N 3.35Å; N135-F138 VanDerWaalsContact OD1-CB 3.23Å; N135-F138 WeakPolarHBondContact OD1-CB 3.42Å; N135-F138 PolarHBondContact OD1-N 3.09Å; M136-F138 VanDerWaalsContact C-N 3.29Å; M136-F138 PolarHBondContact O-N 3.3Å; F138-E140 VanDerWaalsContact C-N 3.33Å; F138-L141 PolarHBondContact O-N 2.78Å; F138-C142 PolarHBondContact O-N 3.2Å; F138-C142 PolarHBondContact O-SG 3.21Å; F138-F149 HydrophobicContact CD1-CD2 4.34Å; F138-F149 HydrophobicContact CD1-CE2 4.03Å; F138-F149 HydrophobicContact CE1-CD2 4.32Å; F138-F149 HydrophobicContact CE1-CE2 4.21Å
139	A	97.5	Very high	96.4	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-38.7	176	0	0	0	0	0	111.5	N135 M136 K143 F149 P154 I157	N135-A139 PolarHBondContact O-N 3.15Å; M136-A139 PolarHBondContact O-N 3.46Å; A139-K143 PolarHBondContact O-N 2.74Å; A139-F149 HydrophobicContact CB-CD1 3.94Å; A139-F149 HydrophobicContact CB-CD2 4.28Å; A139-F149 HydrophobicContact CB-CE1 4.02Å; A139-F149 HydrophobicContact CB-CE2 4.36Å; A139-F149 HydrophobicContact CB-CG 4.06Å; A139-F149 HydrophobicContact CB-CZ 4.23Å; A139-P154 HydrophobicContact CB-CB 4.41Å; A139-P154 HydrophobicContact CB-CG 3.79Å; A139-I157 HydrophobicContact CB-CD1 3.87Å
140	E	97.7	Very high	96.5	Very high	61 Å²	61	44.2 Å²	44.2	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-68.6	-39.5	174.2	-169	62.6	-149.8	0	0	111.4	M136 E137 F138 C142 K143 Q144 P154	M136-E140 PolarHBondContact O-N 3.48Å; E137-E140 PolarHBondContact O-N 3.44Å; F138-E140 VanDerWaalsContact C-N 3.33Å; E140-C142 PolarHBondContact O-N 2.77Å; E140-K143 WeakPolarHBondContact O-CB 3.28Å; E140-K143 PolarHBondContact O-N 3.11Å; E140-K143 IonicContact OE1-NZ 3.17Å; E140-K143 IonicContact OE2-NZ 2.68Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 2.91Å; E140-P154 HydrophobicContact CB-CB 4.36Å; E140-P154 HydrophobicContact CB-CG 4.19Å; E140-P154 WeakPolarHBondContact OE2-CG 3.36Å
141	L	97.8	Very high	96.7	Very high	40 Å²	40	43.4 Å²	43.4	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175.3	-177.3	60.9	0	0	0	111.9	M110 I114 E137 F138 K143 Q144 E145	M110-L141 HydrophobicContact CB-CD2 4.12Å; I114-L141 HydrophobicContact CD1-CD2 4.46Å; I114-L141 HydrophobicContact CD1-CG 4.24Å; I114-L141 HydrophobicContact CG1-CD2 3.72Å; I114-L141 HydrophobicContact CG1-CG 3.96Å; E137-L141 VanDerWaalsContact O-CB 3.31Å; E137-L141 WeakPolarHBondContact O-CB 3.31Å; E137-L141 PolarHBondContact O-N 3.25Å; F138-L141 PolarHBondContact O-N 2.78Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 3.25Å; L141-Q144 PolarHBondContact O-N 2.7Å; L141-E145 HydrophobicContact CD1-CG 4.14Å; L141-E145 WeakPolarHBondContact O-CB 3.48Å; L141-E145 VanDerWaalsContact O-CG 3.28Å; L141-E145 WeakPolarHBondContact O-CG 3.38Å; L141-E145 PolarHBondContact O-N 3.39Å
142	C	97.9	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.2	-45.8	173.7	-68.9	0	0	0	0	111.1	F138 E140 E145 G146 I147 F149	F138-C142 PolarHBondContact O-N 3.2Å; F138-C142 PolarHBondContact O-SG 3.21Å; E140-C142 PolarHBondContact O-N 2.77Å; C142-E145 CarbonylContact O-C 3.03Å; C142-E145 PolarHBondContact O-N 3.07Å; C142-G146 PolarHBondContact O-N 2.73Å; C142-G146 VanDerWaalsContact O-N 3.16Å; C142-I147 CarbonylContact C-O 3.41Å; C142-I147 HydrophobicContact CB-CB 4.45Å; C142-I147 PolarHBondContact O-N 2.92Å; C142-I147 VanDerWaalsContact O-O 3.05Å; C142-F149 HydrophobicContact CB-CB 4.04Å
143	K	95.6	Very high	96.8	Very high	137 Å²	137	43 Å²	43	60%	0.596	23%	0.227	S	C	*	.	H	α-helix	trans	-64.3	-43.3	178.8	179.4	-173.7	169	-157.7	0	112.4	A139 E140 L141 E145 G146	A139-K143 PolarHBondContact O-N 2.74Å; E140-K143 WeakPolarHBondContact O-CB 3.28Å; E140-K143 PolarHBondContact O-N 3.11Å; E140-K143 IonicContact OE1-NZ 3.17Å; E140-K143 IonicContact OE2-NZ 2.68Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 3.25Å; K143-E145 PolarHBondContact O-N 2.95Å; K143-G146 PolarHBondContact O-N 3.02Å
144	Q	96.9	Very high	96.8	Very high	137 Å²	137	43.9 Å²	43.9	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-60.3	-35.2	176	-72	172	7	0	0	111.7	E140 L141 G146	E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 2.91Å; L141-Q144 PolarHBondContact O-N 2.7Å; Q144-G146 VanDerWaalsContact C-N 3.31Å
145	E	97.3	Very high	96.9	Very high	78 Å²	78	42.8 Å²	42.8	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5.1	-178.9	-62.8	-71.8	-154.9	0	0	113.8	I114 K118 L141 C142 K143 I147	I114-E145 HydrophobicContact CG2-CB 4.44Å; I114-E145 HydrophobicContact CG2-CG 3.96Å; K118-E145 VanDerWaalsContact CE-CD 3.49Å; K118-E145 WeakPolarHBondContact CE-OE2 3.27Å; K118-E145 IonicContact NZ-OE1 3.66Å; K118-E145 PolarHBondContact NZ-OE1 2.98Å; K118-E145 IonicContact NZ-OE2 2.69Å; K118-E145 PolarHBondContact NZ-OE2 2.97Å; L141-E145 HydrophobicContact CD1-CG 4.14Å; L141-E145 WeakPolarHBondContact O-CB 3.48Å; L141-E145 VanDerWaalsContact O-CG 3.28Å; L141-E145 WeakPolarHBondContact O-CG 3.38Å; L141-E145 PolarHBondContact O-N 3.39Å; C142-E145 CarbonylContact O-C 3.03Å; C142-E145 PolarHBondContact O-N 3.07Å; K143-E145 PolarHBondContact O-N 2.95Å; E145-I147 HydrophobicContact CB-CD1 4.08Å; E145-I147 HydrophobicContact CB-CG1 4.41Å; E145-I147 PolarHBondContact O-N 3.1Å
146	G	95.8	Very high	97	Very high	64 Å²	64	41.1 Å²	41.1	66%	0.66	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	16.8	179.3	0	0	0	0	0	114.5	C142 K143 Q144	C142-G146 PolarHBondContact O-N 2.73Å; C142-G146 VanDerWaalsContact O-N 3.16Å; K143-G146 PolarHBondContact O-N 3.02Å; Q144-G146 VanDerWaalsContact C-N 3.31Å
147	I	97.9	Very high	97.1	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	21%	0.211	C	C	.	.			trans	-96.2	132.4	178.8	-60.3	162.2	0	0	0	109.3	I114 A117 K118 I125 C142 E145 F149	I114-I147 HydrophobicContact CD1-CD1 4.03Å; I114-I147 HydrophobicContact CG2-CD1 4.45Å; A117-I147 HydrophobicContact CB-CD1 3.76Å; K118-I147 HydrophobicContact CG-CD1 4.49Å; I125-I147 HydrophobicContact CB-CG2 4.41Å; I125-I147 HydrophobicContact CD1-CD1 4.46Å; I125-I147 HydrophobicContact CD1-CG2 3.69Å; I125-I147 HydrophobicContact CG1-CG2 3.7Å; C142-I147 CarbonylContact C-O 3.41Å; C142-I147 HydrophobicContact CB-CB 4.45Å; C142-I147 PolarHBondContact O-N 2.92Å; C142-I147 VanDerWaalsContact O-O 3.05Å; E145-I147 HydrophobicContact CB-CD1 4.08Å; E145-I147 HydrophobicContact CB-CG1 4.41Å; E145-I147 PolarHBondContact O-N 3.1Å; I147-F149 PolarHBondContact O-N 2.73Å
148	I	98.2	Very high	96.9	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.087	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	114.1	179.2	-58.5	169.4	0	0	0	109.4	R47 I49 Q123 A124 I125 I150 A363	R47-I148 HydrophobicContact CB-CD1 3.81Å; R47-I148 HydrophobicContact CG-CD1 4.4Å; I49-I148 HydrophobicContact CD1-CD1 4.15Å; I49-I148 HydrophobicContact CG1-CD1 3.99Å; Q123-I148 PolarHBondContact O-N 2.96Å; A124-I148 CarbonylContact C-O 3.57Å; A124-I148 WeakPolarHBondContact CA-O 3.47Å; A124-I148 HydrophobicContact CB-CB 3.86Å; A124-I148 HydrophobicContact CB-CG2 4.37Å; A124-I148 WeakPolarHBondContact CB-O 3.49Å; I125-I148 PolarHBondContact N-O 2.84Å; I148-I150 PolarHBondContact O-N 3.38Å; I148-A363 HydrophobicContact CG2-CB 3.89Å
149	F	98.3	Very high	96.7	Very high	23 Å²	23	41.3 Å²	41.3	10%	0.101	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.3	167	-179.1	-103.2	0	0	0	109.5	P127 F138 A139 C142 I147 G151 I157	P127-F149 HydrophobicContact CB-CE2 3.98Å; P127-F149 HydrophobicContact CB-CZ 4.38Å; P127-F149 HydrophobicContact CG-CE2 3.72Å; P127-F149 HydrophobicContact CG-CZ 3.78Å; F138-F149 HydrophobicContact CD1-CD2 4.34Å; F138-F149 HydrophobicContact CD1-CE2 4.03Å; F138-F149 HydrophobicContact CE1-CD2 4.32Å; F138-F149 HydrophobicContact CE1-CE2 4.21Å; A139-F149 HydrophobicContact CB-CD1 3.94Å; A139-F149 HydrophobicContact CB-CD2 4.28Å; A139-F149 HydrophobicContact CB-CE1 4.02Å; A139-F149 HydrophobicContact CB-CE2 4.36Å; A139-F149 HydrophobicContact CB-CG 4.06Å; A139-F149 HydrophobicContact CB-CZ 4.23Å; C142-F149 HydrophobicContact CB-CB 4.04Å; I147-F149 PolarHBondContact O-N 2.73Å; F149-G151 VanDerWaalsContact C-N 3.32Å; F149-G151 PolarHBondContact O-N 3.06Å; F149-I157 HydrophobicContact CE1-CD1 4.05Å; F149-I157 HydrophobicContact CZ-CD1 4.38Å
150	I	98.4	Very high	96.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-82	83.1	179.3	-59	161.2	0	0	0	108.8	V52 A124 I125 H126 P127 I148 Q359 L360 A363	V52-I150 HydrophobicContact CG2-CD1 3.5Å; A124-I150 HydrophobicContact CB-CD1 3.68Å; A124-I150 HydrophobicContact CB-CG1 3.94Å; I125-I150 PolarHBondContact O-N 3.31Å; H126-I150 HydrophobicContact CB-CB 4.48Å; H126-I150 HydrophobicContact CB-CD1 3.87Å; P127-I150 WeakPolarHBondContact CD-O 3.38Å; I148-I150 PolarHBondContact O-N 3.38Å; I150-Q359 HydrophobicContact CG2-CB 3.7Å; I150-L360 HydrophobicContact CD1-CD2 3.6Å; I150-A363 HydrophobicContact CB-CB 4.25Å; I150-A363 HydrophobicContact CG1-CB 3.77Å; I150-A363 HydrophobicContact CG2-CB 4.09Å
151	G	96.6	Very high	95.8	Very high	13 Å²	13	41.9 Å²	41.9	13%	0.134	24%	0.239	C	C	.	.	S	Bend	trans	175	-169.8	-176.5	0	0	0	0	0	111.7	F149 V316	F149-G151 VanDerWaalsContact C-N 3.32Å; F149-G151 PolarHBondContact O-N 3.06Å; G151-V316 CarbonylContact C-O 3.54Å
152	P	97.2	Very high	95	Very high	3 Å²	3	44 Å²	44	2%	0.019	25%	0.25	C	S	.	.	S	Bend	trans	-68.7	159.7	179.1	27.1	-33	0	0	0	112.4	A156 I157 Y315 V316 T338	P152-A156 HydrophobicContact CB-CB 4.17Å; P152-I157 HydrophobicContact CB-CG1 4.44Å; P152-I157 HydrophobicContact CG-CD1 4.28Å; P152-I157 HydrophobicContact CG-CG1 3.8Å; P152-Y315 HydrophobicContact CB-CD2 4Å; P152-Y315 HydrophobicContact CB-CE1 4.21Å; P152-Y315 HydrophobicContact CB-CE2 3.55Å; P152-Y315 HydrophobicContact CB-CG 4.49Å; P152-Y315 HydrophobicContact CG-CE2 3.86Å; P152-V316 WeakPolarHBondContact CA-O 3.14Å; P152-T338 WeakPolarHBondContact CD-O 3.29Å; P152-T338 WeakPolarHBondContact CG-O 3.4Å
153	P	96.5	Very high	94.2	Very high	36 Å²	36	46.4 Å²	46.4	23%	0.234	26%	0.26	C	S	.	.			trans	-65.8	153.2	176.1	28.3	-34.7	0	0	0	111.4	S155 A156 I157	P153-S155 PolarHBondContact O-N 3.32Å; P153-S155 VanDerWaalsContact O-N 3.08Å; P153-A156 HydrophobicContact CG-CB 3.86Å; P153-A156 PolarHBondContact O-N 3.49Å; P153-I157 PolarHBondContact O-N 3.49Å
154	P	96.3	Very high	93.4	Very high	20 Å²	20	41.4 Å²	41.4	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-52.4	-34.2	179.1	-28.2	34.8	0	0	0	114.2	M136 A139 E140 I157 R158	M136-P154 HydrophobicContact CG-CB 4.1Å; M136-P154 WeakPolarHBondContact CG-O 3.35Å; A139-P154 HydrophobicContact CB-CB 4.41Å; A139-P154 HydrophobicContact CB-CG 3.79Å; E140-P154 HydrophobicContact CB-CB 4.36Å; E140-P154 HydrophobicContact CB-CG 4.19Å; E140-P154 WeakPolarHBondContact OE2-CG 3.36Å; P154-I157 PolarHBondContact O-N 3.4Å; P154-R158 WeakPolarHBondContact O-CB 3.13Å; P154-R158 PolarHBondContact O-N 3.44Å
155	S	96	Very high	92.9	Very high	51 Å²	51	37.5 Å²	37.5	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-45.7	175.3	54.7	0	0	0	0	112.4	P153 I157 R158 D159	P153-S155 PolarHBondContact O-N 3.32Å; P153-S155 VanDerWaalsContact O-N 3.08Å; S155-I157 PolarHBondContact O-N 3.35Å; S155-R158 PolarHBondContact O-N 3.17Å; S155-D159 WeakPolarHBondContact O-CB 3.38Å; S155-D159 PolarHBondContact O-N 3.26Å
156	A	96	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-38.3	179.6	0	0	0	0	0	111.6	P152 P153 D159 M160 V313 Y315	P152-A156 HydrophobicContact CB-CB 4.17Å; P153-A156 HydrophobicContact CG-CB 3.86Å; P153-A156 PolarHBondContact O-N 3.49Å; A156-D159 PolarHBondContact O-N 2.98Å; A156-M160 WeakPolarHBondContact O-CB 3.49Å; A156-M160 WeakPolarHBondContact O-CG 3.27Å; A156-M160 PolarHBondContact O-N 3.46Å; A156-M160 VanDerWaalsContact O-N 3.11Å; A156-V313 HydrophobicContact CB-CB 4.28Å; A156-V313 HydrophobicContact CB-CG2 4.22Å; A156-Y315 HydrophobicContact CB-CD2 4.13Å
157	I	95.4	Very high	92.2	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-48.8	174.2	-60.8	174.9	0	0	0	110.2	E134 M136 A139 F149 P152 P153 P154 S155 G161	E134-I157 WeakPolarHBondContact O-CG2 3.46Å; M136-I157 HydrophobicContact CB-CB 4.44Å; M136-I157 HydrophobicContact CB-CG2 4.06Å; A139-I157 HydrophobicContact CB-CD1 3.87Å; F149-I157 HydrophobicContact CE1-CD1 4.05Å; F149-I157 HydrophobicContact CZ-CD1 4.38Å; P152-I157 HydrophobicContact CB-CG1 4.44Å; P152-I157 HydrophobicContact CG-CD1 4.28Å; P152-I157 HydrophobicContact CG-CG1 3.8Å; P153-I157 PolarHBondContact O-N 3.49Å; P154-I157 PolarHBondContact O-N 3.4Å; S155-I157 PolarHBondContact O-N 3.35Å; I157-G161 PolarHBondContact O-N 2.78Å
158	R	93.4	Very high	91.8	Very high	131 Å²	131	33.8 Å²	33.8	49%	0.494	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-49.7	178	-178.3	-167.8	63.3	-152.8	-6.2	112.1	M136 P154 S155 M160 G161	M136-R158 HydrophobicContact CG-CB 4.22Å; P154-R158 WeakPolarHBondContact O-CB 3.13Å; P154-R158 PolarHBondContact O-N 3.44Å; S155-R158 PolarHBondContact O-N 3.17Å; R158-M160 PolarHBondContact O-N 3.02Å; R158-G161 PolarHBondContact O-N 3.43Å; R158-G161 VanDerWaalsContact O-N 3.16Å
159	D	93.5	Very high	91.6	Very high	33 Å²	33	34.9 Å²	34.9	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-31.3	-172.8	-65.5	-7.2	0	0	0	111	S155 A156 S166 I169 V313	S155-D159 WeakPolarHBondContact O-CB 3.38Å; S155-D159 PolarHBondContact O-N 3.26Å; A156-D159 PolarHBondContact O-N 2.98Å; D159-S166 PolarHBondContact O-N 3.29Å; D159-I169 HydrophobicContact CB-CD1 3.77Å; D159-V313 HydrophobicContact CB-CG1 4.48Å
160	M	92.4	Very high	91.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.059	20%	0.201	C	C	.	.	H	α-helix	trans	-88.9	-18.8	175.7	-61.8	-60.9	87.3	0	0	114.6	A156 R158 I162 I169 M170 V313 M336 T338	A156-M160 WeakPolarHBondContact O-CB 3.49Å; A156-M160 WeakPolarHBondContact O-CG 3.27Å; A156-M160 PolarHBondContact O-N 3.46Å; A156-M160 VanDerWaalsContact O-N 3.11Å; R158-M160 PolarHBondContact O-N 3.02Å; M160-I162 VanDerWaalsContact C-N 3.32Å; M160-I162 PolarHBondContact O-N 2.9Å; M160-I169 HydrophobicContact CE-CD1 4.09Å; M160-M170 HydrophobicContact CE-CE 3.7Å; M160-M170 HydrophobicContact SD-CE 3.65Å; M160-V313 HydrophobicContact CE-CG1 3.48Å; M160-V313 VanDerWaalsContact CE-CG1 3.48Å; M160-V313 HydrophobicContact CG-CG1 4.46Å; M160-V313 HydrophobicContact SD-CG1 4.06Å; M160-M336 HydrophobicContact CB-CB 4.4Å; M160-M336 HydrophobicContact CG-CB 4.03Å; M160-M336 HydrophobicContact CG-CG 4.38Å; M160-M336 HydrophobicContact CG-SD 4.11Å; M160-M336 HydrophobicContact SD-CB 3.77Å; M160-M336 HydrophobicContact SD-CG 4.43Å; M160-M336 HydrophobicContact SD-SD 4.01Å; M160-T338 HydrophobicContact CB-CG2 3.62Å; M160-T338 HydrophobicContact CG-CG2 3.94Å
161	G	84.8	Confident	91.3	Very high	64 Å²	64	36.2 Å²	36.2	66%	0.66	22%	0.221	S	C	*	.	H	α-helix	trans	-71.9	-20	-179.2	0	0	0	0	0	115	I157 R158	I157-G161 PolarHBondContact O-N 2.78Å; R158-G161 PolarHBondContact O-N 3.43Å; R158-G161 VanDerWaalsContact O-N 3.16Å
162	I	80.3	Confident	91.2	Very high	86 Å²	86	40 Å²	40	44%	0.441	25%	0.251	S	S	.	.	S	Bend	trans	-107.4	122.9	178.9	-56.7	175.5	0	0	0	109.5	M160 S164 T165 S166	M160-I162 VanDerWaalsContact C-N 3.32Å; M160-I162 PolarHBondContact O-N 2.9Å; I162-S164 WeakPolarHBondContact CG2-OG 3.4Å; I162-S164 PolarHBondContact O-N 3.32Å; I162-T165 PolarHBondContact O-N 3.43Å; I162-S166 WeakPolarHBondContact O-CB 3.32Å; I162-S166 PolarHBondContact O-N 3.4Å; I162-S166 PolarHBondContact O-OG 3.48Å
163	K	80.5	Confident	91.2	Very high	49 Å²	49	41 Å²	41	21%	0.213	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-42.4	-175.1	-72.6	-177.4	-176.4	166.4	0	114.2	S166 K167 G209 L245	K163-S166 WeakPolarHBondContact CA-OG 3.48Å; K163-S166 PolarHBondContact O-OG 3.37Å; K163-K167 WeakPolarHBondContact O-CB 3.44Å; K163-K167 VanDerWaalsContact O-CG 3.28Å; K163-K167 WeakPolarHBondContact O-CG 3.5Å; K163-K167 PolarHBondContact O-N 3.1Å; K163-K167 VanDerWaalsContact O-N 3.08Å; K163-G209 WeakPolarHBondContact CE-O 3.47Å; K163-G209 PolarHBondContact NZ-O 3.45Å; K163-L245 HydrophobicContact CB-CD2 4.44Å; K163-L245 HydrophobicContact CD-CD2 4.44Å
164	S	80.3	Confident	91.1	Very high	33 Å²	33	41.4 Å²	41.4	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-47.8	179.2	50.2	0	0	0	0	111.5	I162 K167 S168	I162-S164 WeakPolarHBondContact CG2-OG 3.4Å; I162-S164 PolarHBondContact O-N 3.32Å; S164-K167 PolarHBondContact O-N 3.21Å; S164-S168 PolarHBondContact O-N 3.1Å; S164-S168 PolarHBondContact O-OG 3.27Å
165	T	85.9	Confident	91.2	Very high	55 Å²	55	40.7 Å²	40.7	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-50	177.1	-53	0	0	0	0	111.5	I162 K167 S168 I169	I162-T165 PolarHBondContact O-N 3.43Å; T165-K167 PolarHBondContact O-N 2.93Å; T165-S168 PolarHBondContact O-N 3.16Å; T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CG1 3.48Å; T165-I169 PolarHBondContact O-N 3.27Å
166	S	90.1	Very high	91.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-45.8	179.2	55.8	0	0	0	0	112	D159 I162 K163 S168 I169 M170	D159-S166 PolarHBondContact O-N 3.29Å; I162-S166 WeakPolarHBondContact O-CB 3.32Å; I162-S166 PolarHBondContact O-N 3.4Å; I162-S166 PolarHBondContact O-OG 3.48Å; K163-S166 WeakPolarHBondContact CA-OG 3.48Å; K163-S166 PolarHBondContact O-OG 3.37Å; S166-S168 PolarHBondContact O-N 3.13Å; S166-I169 PolarHBondContact O-N 2.67Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 VanDerWaalsContact O-CG 3.24Å; S166-M170 WeakPolarHBondContact O-CG 3.48Å; S166-M170 PolarHBondContact O-N 3.42Å
167	K	87.9	Confident	90.9	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-42.6	176.1	-78.2	-177.2	168.1	-135.4	0	113.7	K163 S164 T165 M170 A171 E247	K163-K167 WeakPolarHBondContact O-CB 3.44Å; K163-K167 VanDerWaalsContact O-CG 3.28Å; K163-K167 WeakPolarHBondContact O-CG 3.5Å; K163-K167 PolarHBondContact O-N 3.1Å; K163-K167 VanDerWaalsContact O-N 3.08Å; S164-K167 PolarHBondContact O-N 3.21Å; T165-K167 PolarHBondContact O-N 2.93Å; K167-M170 PolarHBondContact O-N 2.77Å; K167-A171 VanDerWaalsContact O-CB 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.18Å; K167-A171 PolarHBondContact O-N 3.24Å; K167-E247 WeakPolarHBondContact CE-OE1 3.28Å; K167-E247 IonicContact NZ-OE1 3.82Å; K167-E247 PolarHBondContact NZ-OE1 3.41Å; K167-E247 IonicContact NZ-OE2 3.22Å
168	S	89.9	Confident	90.6	Very high	59 Å²	59	42.9 Å²	42.9	41%	0.413	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.4	-67.4	0	0	0	0	111.9	S164 T165 S166 A172	S164-S168 PolarHBondContact O-N 3.1Å; S164-S168 PolarHBondContact O-OG 3.27Å; T165-S168 PolarHBondContact O-N 3.16Å; S166-S168 PolarHBondContact O-N 3.13Å; S168-A172 WeakPolarHBondContact O-CB 3.33Å; S168-A172 PolarHBondContact O-N 2.64Å
169	I	94.4	Very high	90.2	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.205	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175.7	-64.4	167.5	0	0	0	110.6	D159 M160 T165 S166 A172 A173 A312 V313	D159-I169 HydrophobicContact CB-CD1 3.77Å; M160-I169 HydrophobicContact CE-CD1 4.09Å; T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CG1 3.48Å; T165-I169 PolarHBondContact O-N 3.27Å; S166-I169 PolarHBondContact O-N 2.67Å; I169-A172 PolarHBondContact O-N 2.8Å; I169-A173 WeakPolarHBondContact O-CB 3.17Å; I169-A173 PolarHBondContact O-N 2.95Å; I169-A312 HydrophobicContact CG2-CB 3.88Å; I169-V313 HydrophobicContact CG2-CG1 3.9Å
170	M	95.7	Very high	89.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-43.3	180	-70.8	-48.9	121.4	0	0	112.7	M160 S166 K167 A173 G174 V175 V177 A309 V313 F333	M160-M170 HydrophobicContact CE-CE 3.7Å; M160-M170 HydrophobicContact SD-CE 3.65Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 VanDerWaalsContact O-CG 3.24Å; S166-M170 WeakPolarHBondContact O-CG 3.48Å; S166-M170 PolarHBondContact O-N 3.42Å; K167-M170 PolarHBondContact O-N 2.77Å; M170-A173 CarbonylContact O-C 3.44Å; M170-A173 PolarHBondContact O-N 3.32Å; M170-G174 PolarHBondContact O-N 3.48Å; M170-V175 HydrophobicContact CB-CB 4.06Å; M170-V175 HydrophobicContact CB-CG1 4.49Å; M170-V175 WeakPolarHBondContact O-CB 3.41Å; M170-V175 PolarHBondContact O-N 3.25Å; M170-V175 HydrophobicContact SD-CB 4.41Å; M170-V175 HydrophobicContact SD-CG2 4.07Å; M170-V177 HydrophobicContact CB-CG1 3.97Å; M170-A309 HydrophobicContact CE-CB 4.12Å; M170-A309 VanDerWaalsContact SD-CA 3.58Å; M170-A309 HydrophobicContact SD-CB 3.31Å; M170-A309 WeakPolarHBondContact SD-CB 3.46Å; M170-V313 HydrophobicContact CE-CG1 4.14Å; M170-F333 HydrophobicContact CB-CD1 4.06Å; M170-F333 HydrophobicContact CB-CE1 4.32Å; M170-F333 HydrophobicContact CB-CG 4.2Å; M170-F333 HydrophobicContact CG-CD1 3.68Å; M170-F333 HydrophobicContact CG-CD2 3.79Å; M170-F333 HydrophobicContact CG-CE1 3.54Å; M170-F333 HydrophobicContact CG-CE2 3.64Å; M170-F333 HydrophobicContact CG-CG 3.8Å; M170-F333 HydrophobicContact CG-CZ 3.51Å; M170-F333 HydrophobicContact SD-CD2 4.25Å; M170-F333 HydrophobicContact SD-CE2 4.02Å; M170-F333 HydrophobicContact SD-CZ 4.34Å
171	A	93.6	Very high	89.7	Confident	52 Å²	52	43.2 Å²	43.2	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-45.9	175.3	0	0	0	0	0	111.2	K167 A173 G174 V177	K167-A171 VanDerWaalsContact O-CB 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.18Å; K167-A171 PolarHBondContact O-N 3.24Å; A171-A173 PolarHBondContact O-N 3.05Å; A171-G174 PolarHBondContact O-N 2.96Å; A171-V177 HydrophobicContact CB-CG1 4.39Å; A171-V177 HydrophobicContact CB-CG2 4.04Å
172	A	95.4	Very high	89.8	Confident	92 Å²	92	43.9 Å²	43.9	76%	0.76	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-30.2	175.9	0	0	0	0	0	112.8	S168 I169 G174	S168-A172 WeakPolarHBondContact O-CB 3.33Å; S168-A172 PolarHBondContact O-N 2.64Å; I169-A172 PolarHBondContact O-N 2.8Å; A172-G174 VanDerWaalsContact C-N 3.26Å; A172-G174 PolarHBondContact O-N 2.54Å
173	A	96.4	Very high	89.9	Confident	25 Å²	25	41 Å²	41	21%	0.207	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.3	176	0	0	0	0	0	114.3	I169 M170 A171 V175 A312	I169-A173 WeakPolarHBondContact O-CB 3.17Å; I169-A173 PolarHBondContact O-N 2.95Å; M170-A173 CarbonylContact O-C 3.44Å; M170-A173 PolarHBondContact O-N 3.32Å; A171-A173 PolarHBondContact O-N 3.05Å; A173-V175 VanDerWaalsContact C-N 3.28Å; A173-V175 HydrophobicContact CB-CG2 4.23Å; A173-V175 PolarHBondContact O-N 3.4Å; A173-A312 HydrophobicContact CB-CB 3.6Å
174	G	95.8	Very high	90.1	Very high	45 Å²	45	46.6 Å²	46.6	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.7	-177.8	0	0	0	0	0	113.1	M170 A171 A172 R308	M170-G174 PolarHBondContact O-N 3.48Å; A171-G174 PolarHBondContact O-N 2.96Å; A172-G174 VanDerWaalsContact C-N 3.26Å; A172-G174 PolarHBondContact O-N 2.54Å; G174-R308 PolarHBondContact O-NE 2.94Å; G174-R308 PolarHBondContact O-NH2 2.99Å
175	V	96.8	Very high	90.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	31%	0.31	C	S	.	.			trans	-89.5	127.3	169	-177.4	0	0	0	0	107.3	M170 A173 V177 A305 R308 A309 F323 F333	M170-V175 HydrophobicContact CB-CB 4.06Å; M170-V175 HydrophobicContact CB-CG1 4.49Å; M170-V175 WeakPolarHBondContact O-CB 3.41Å; M170-V175 PolarHBondContact O-N 3.25Å; M170-V175 HydrophobicContact SD-CB 4.41Å; M170-V175 HydrophobicContact SD-CG2 4.07Å; A173-V175 VanDerWaalsContact C-N 3.28Å; A173-V175 HydrophobicContact CB-CG2 4.23Å; A173-V175 PolarHBondContact O-N 3.4Å; V175-V177 PolarHBondContact O-N 3.47Å; V175-A305 HydrophobicContact CG1-CB 4.49Å; V175-A305 WeakPolarHBondContact CG2-O 3.47Å; V175-R308 HydrophobicContact CG2-CB 4.23Å; V175-A309 HydrophobicContact CG2-CB 4.06Å; V175-F323 HydrophobicContact CG1-CE1 3.99Å; V175-F323 HydrophobicContact CG1-CZ 4.43Å; V175-F333 HydrophobicContact CG1-CB 3.89Å; V175-F333 HydrophobicContact CG1-CD2 4.46Å; V175-F333 HydrophobicContact CG1-CG 4.47Å
176	P	94.5	Very high	90.8	Very high	50 Å²	50	48.5 Å²	48.5	33%	0.325	31%	0.305	S	S	.	.			trans	-57.7	125.3	178	-24.7	34.8	0	0	0	110.5	F331 Y332 F333	P176-F331 VanDerWaalsContact CB-O 3.31Å; P176-F331 WeakPolarHBondContact CB-O 3.42Å; P176-F331 HydrophobicContact CG-CD2 4.35Å; P176-F331 HydrophobicContact CG-CE2 3.86Å; P176-F331 HydrophobicContact CG-CZ 4.47Å; P176-Y332 CarbonylContact O-C 3.58Å; P176-Y332 WeakPolarHBondContact O-CA 3.28Å; P176-F333 WeakPolarHBondContact O-CB 3.4Å; P176-F333 PolarHBondContact O-N 3.01Å
177	V	92.7	Very high	91	Very high	44 Å²	44	50.8 Å²	50.8	27%	0.267	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-114	150.3	174.2	-67.8	0	0	0	0	108.9	M170 A171 V175 E179 F333	M170-V177 HydrophobicContact CB-CG1 3.97Å; A171-V177 HydrophobicContact CB-CG1 4.39Å; A171-V177 HydrophobicContact CB-CG2 4.04Å; V175-V177 PolarHBondContact O-N 3.47Å; V177-E179 PolarHBondContact O-N 3.19Å; V177-F333 HydrophobicContact CG1-CB 4.23Å; V177-F333 HydrophobicContact CG1-CD1 4.44Å
178	V	88.4	Confident	91.2	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	33%	0.331	C	S	.	.			trans	-61.1	130	173.8	-176.7	0	0	0	0	108.4	G180 E247 K248 Y332	V178-G180 PolarHBondContact O-N 3.04Å; V178-E247 HydrophobicContact CG1-CB 3.97Å; V178-E247 HydrophobicContact CG1-CG 4.48Å; V178-K248 HydrophobicContact CG1-CB 3.85Å; V178-K248 WeakPolarHBondContact CG1-O 3.05Å; V178-Y332 HydrophobicContact CG2-CD1 4.49Å; V178-Y332 HydrophobicContact CG2-CD2 4.45Å; V178-Y332 HydrophobicContact CG2-CG 3.88Å
179	E	85.4	Confident	91.4	Very high	120 Å²	120	55.5 Å²	55.5	56%	0.561	34%	0.338	S	S	*	.			trans	-55.2	130.4	173.9	-171.1	-178.9	178.6	0	0	109.7	V177 I198 E247 K248	V177-E179 PolarHBondContact O-N 3.19Å; E179-I198 HydrophobicContact CG-CG1 4.38Å; E179-E247 CarbonylContact O-C 3.46Å; E179-E247 WeakPolarHBondContact O-CA 3.24Å; E179-K248 PolarHBondContact O-N 2.87Å
180	G	87.8	Confident	91.3	Very high	31 Å²	31	54.3 Å²	54.3	32%	0.32	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	170.4	-172	0	0	0	0	0	113.9	V178 I246	V178-G180 PolarHBondContact O-N 3.04Å; G180-I246 CarbonylContact C-O 3.57Å; G180-I246 WeakPolarHBondContact CA-O 3.35Å
181	Y	88.1	Confident	91.2	Very high	32 Å²	32	54.3 Å²	54.3	13%	0.125	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.3	172.4	-179.5	-98.9	0	0	0	110.4	D185 L191 H194 L245 I246	Y181-D185 WeakPolarHBondContact CE1-O 3.42Å; Y181-D185 WeakPolarHBondContact OH-CB 3.5Å; Y181-D185 PolarHBondContact OH-N 3.25Å; Y181-D185 PolarHBondContact OH-O 3.48Å; Y181-D185 VanDerWaalsContact OH-O 3.13Å; Y181-L191 HydrophobicContact CD1-CD2 3.78Å; Y181-L191 HydrophobicContact CE1-CD2 3.94Å; Y181-H194 HydrophobicContact CD2-CB 4.4Å; Y181-H194 AromaticContact CD2-CD2 3.24Å; Y181-H194 WeakPolarHBondContact CD2-CD2 3.44Å; Y181-H194 AromaticContact CD2-CE1 3.56Å; Y181-H194 AromaticContact CD2-CG 3.55Å; Y181-H194 AromaticContact CD2-ND1 3.74Å; Y181-H194 AromaticContact CD2-NE2 3.29Å; Y181-H194 VanDerWaalsContact CD2-NE2 3.29Å; Y181-H194 WeakPolarHBondContact CD2-NE2 3.4Å; Y181-H194 AromaticContact CE2-CD2 3.98Å; Y181-H194 AromaticContact CE2-CE1 3.48Å; Y181-H194 VanDerWaalsContact CE2-CE1 3.48Å; Y181-H194 WeakPolarHBondContact CE2-CE1 3.47Å; Y181-H194 AromaticContact CE2-ND1 3.92Å; Y181-H194 AromaticContact CE2-NE2 3.54Å; Y181-H194 HydrophobicContact CG-CB 4Å; Y181-H194 AromaticContact CG-CD2 3.72Å; Y181-H194 AromaticContact CG-CG 3.62Å; Y181-H194 AromaticContact CG-ND1 3.99Å; Y181-L245 WeakPolarHBondContact O-CA 3.47Å; Y181-I246 PolarHBondContact N-O 3.16Å; Y181-I246 PolarHBondContact O-N 3.22Å
182	H	85.9	Confident	91.2	Very high	79 Å²	79	55.1 Å²	55.1	37%	0.366	33%	0.327	S	S	.	.			trans	-143.2	31.6	179.9	56.7	61.8	0	0	0	110.8	L245	H182-L245 HydrophobicContact CB-CB 4.21Å
183	G	82.6	Confident	91.1	Very high	24 Å²	24	54.7 Å²	54.7	25%	0.247	31%	0.309	C	S	.	.			trans	-80.5	170.9	178.5	0	0	0	0	0	112.9	D185 Q186	G183-D185 VanDerWaalsContact C-N 3.31Å; G183-D185 PolarHBondContact O-N 3.11Å; G183-Q186 PolarHBondContact O-NE2 3.47Å
184	D	84.3	Confident	91	Very high	168 Å²	168	55.4 Å²	55.4	90%	0.898	31%	0.308	S	S	*	.	S	Bend	trans	-74.7	-18.7	-176.4	-59.6	-38.5	0	0	0	113.4	Q186	D184-Q186 PolarHBondContact O-N 3.11Å; D184-Q186 VanDerWaalsContact O-N 3.08Å
185	D	90.1	Very high	90.8	Very high	79 Å²	79	53.3 Å²	53.3	42%	0.422	29%	0.286	S	S	.	.			trans	-78.6	96	176.1	179.6	4.2	0	0	0	110.4	Y181 G183 S187 C190	Y181-D185 WeakPolarHBondContact CE1-O 3.42Å; Y181-D185 WeakPolarHBondContact OH-CB 3.5Å; Y181-D185 PolarHBondContact OH-N 3.25Å; Y181-D185 PolarHBondContact OH-O 3.48Å; Y181-D185 VanDerWaalsContact OH-O 3.13Å; G183-D185 VanDerWaalsContact C-N 3.31Å; G183-D185 PolarHBondContact O-N 3.11Å; D185-S187 VanDerWaalsContact C-N 3.32Å; D185-S187 VanDerWaalsContact OD1-CB 3.25Å; D185-S187 WeakPolarHBondContact OD1-CB 3.33Å; D185-S187 PolarHBondContact OD1-N 3.32Å; D185-S187 PolarHBondContact OD1-OG 2.96Å; D185-C190 WeakPolarHBondContact OD2-CB 3.2Å; D185-C190 PolarHBondContact OD2-SG 3.5Å
186	Q	91.4	Very high	90.6	Very high	48 Å²	48	55.1 Å²	55.1	22%	0.224	31%	0.306	C	S	.	.			trans	-91.3	16.9	-179.1	-65.3	-68.6	-57.3	0	0	112.9	G183 D184 R232 V244	G183-Q186 PolarHBondContact O-NE2 3.47Å; D184-Q186 PolarHBondContact O-N 3.11Å; D184-Q186 VanDerWaalsContact O-N 3.08Å; Q186-R232 PolarHBondContact O-NH2 3.11Å; Q186-V244 PolarHBondContact NE2-O 2.98Å; Q186-V244 VanDerWaalsContact NE2-O 3.12Å; Q186-V244 PolarHBondContact OE1-O 3.02Å; Q186-V244 VanDerWaalsContact OE1-O 3.11Å
187	S	93.4	Very high	90.5	Very high	52 Å²	52	60.8 Å²	60.8	36%	0.364	32%	0.321	S	S	.	.			trans	-67.2	142.3	176.5	64.7	0	0	0	0	112.2	D185 Q189 C190 L191	D185-S187 VanDerWaalsContact C-N 3.32Å; D185-S187 VanDerWaalsContact OD1-CB 3.25Å; D185-S187 WeakPolarHBondContact OD1-CB 3.33Å; D185-S187 PolarHBondContact OD1-N 3.32Å; D185-S187 PolarHBondContact OD1-OG 2.96Å; S187-Q189 PolarHBondContact O-N 2.89Å; S187-C190 PolarHBondContact O-N 3.13Å; S187-C190 VanDerWaalsContact O-N 3.11Å; S187-C190 WeakPolarHBondContact OG-CB 3.46Å; S187-C190 PolarHBondContact OG-N 3.16Å; S187-L191 WeakPolarHBondContact O-CB 3.32Å; S187-L191 WeakPolarHBondContact O-CG 3.2Å; S187-L191 PolarHBondContact O-N 2.87Å
188	D	92.9	Very high	90.5	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-37.8	-177	-68.9	20.3	0	0	0	112	K192 Q225 L228 R232	D188-K192 WeakPolarHBondContact O-CB 3.27Å; D188-K192 PolarHBondContact O-N 2.89Å; D188-Q225 PolarHBondContact OD2-NE2 2.85Å; D188-L228 HydrophobicContact CB-CD2 4.26Å; D188-R232 IonicContact OD1-CZ 2.81Å; D188-R232 VanDerWaalsContact OD1-CZ 3.25Å; D188-R232 IonicContact OD1-NH1 3.21Å; D188-R232 PolarHBondContact OD1-NH1 3.43Å; D188-R232 IonicContact OD1-NH2 3.39Å; D188-R232 PolarHBondContact OD1-NH2 2.86Å; D188-R232 IonicContact OD2-NH1 2.73Å
189	Q	92.9	Very high	90.6	Very high	118 Å²	118	60 Å²	60	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-48.7	176.4	-176.2	61.7	27.7	0	0	111.6	S187 L191 K192 E193	S187-Q189 PolarHBondContact O-N 2.89Å; Q189-L191 PolarHBondContact O-N 3.09Å; Q189-K192 PolarHBondContact O-N 3.15Å; Q189-E193 PolarHBondContact NE2-OE1 2.93Å; Q189-E193 WeakPolarHBondContact O-CB 3.21Å; Q189-E193 WeakPolarHBondContact O-CG 3.32Å; Q189-E193 PolarHBondContact O-N 3.21Å
190	C	93.3	Very high	90.8	Very high	15 Å²	15	56.8 Å²	56.8	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-45.1	179.1	-175.5	0	0	0	0	111.3	D185 S187 K192 E193 H194	D185-C190 WeakPolarHBondContact OD2-CB 3.2Å; D185-C190 PolarHBondContact OD2-SG 3.5Å; S187-C190 PolarHBondContact O-N 3.13Å; S187-C190 VanDerWaalsContact O-N 3.11Å; S187-C190 WeakPolarHBondContact OG-CB 3.46Å; S187-C190 PolarHBondContact OG-N 3.16Å; C190-K192 PolarHBondContact O-N 2.93Å; C190-E193 PolarHBondContact O-N 3.25Å; C190-H194 PolarHBondContact O-N 3.26Å; C190-H194 PolarHBondContact O-ND1 3.04Å; C190-H194 VanDerWaalsContact SG-CE1 3.54Å
191	L	93.5	Very high	91	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-46.7	176.2	-72.6	178.6	0	0	0	111.4	Y181 S187 Q189 E193 H194 A195 F224 L228 V244 I246	Y181-L191 HydrophobicContact CD1-CD2 3.78Å; Y181-L191 HydrophobicContact CE1-CD2 3.94Å; S187-L191 WeakPolarHBondContact O-CB 3.32Å; S187-L191 WeakPolarHBondContact O-CG 3.2Å; S187-L191 PolarHBondContact O-N 2.87Å; Q189-L191 PolarHBondContact O-N 3.09Å; L191-E193 PolarHBondContact O-N 2.87Å; L191-H194 PolarHBondContact O-N 3.2Å; L191-A195 PolarHBondContact O-N 3.3Å; L191-F224 HydrophobicContact CB-CE1 4.26Å; L191-F224 HydrophobicContact CB-CZ 3.99Å; L191-L228 HydrophobicContact CD1-CD1 3.94Å; L191-L228 HydrophobicContact CD1-CD2 4.08Å; L191-V244 HydrophobicContact CD1-CG2 3.82Å; L191-V244 HydrophobicContact CD2-CG2 4.41Å; L191-I246 HydrophobicContact CB-CD1 3.78Å; L191-I246 HydrophobicContact CD2-CD1 3.75Å; L191-I246 HydrophobicContact CD2-CG1 4.15Å; L191-I246 HydrophobicContact CG-CD1 4.36Å; L191-I246 WeakPolarHBondContact O-CD1 3.35Å
192	K	93.4	Very high	91.3	Very high	70 Å²	70	55.8 Å²	55.8	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-41.4	178.6	-169.9	178.9	178.4	-162.2	0	112.6	D188 Q189 C190 A195 G196 E221 F224	D188-K192 WeakPolarHBondContact O-CB 3.27Å; D188-K192 PolarHBondContact O-N 2.89Å; Q189-K192 PolarHBondContact O-N 3.15Å; C190-K192 PolarHBondContact O-N 2.93Å; K192-A195 PolarHBondContact O-N 3.1Å; K192-G196 PolarHBondContact O-N 3.03Å; K192-E221 VanDerWaalsContact CE-CG 3.41Å; K192-E221 WeakPolarHBondContact CE-OE1 3.43Å; K192-E221 IonicContact NZ-OE1 3.36Å; K192-E221 PolarHBondContact NZ-OE1 2.86Å; K192-F224 VanDerWaalsContact CA-CE1 3.49Å; K192-F224 HydrophobicContact CB-CD1 3.81Å; K192-F224 HydrophobicContact CB-CE1 3.66Å; K192-F224 HydrophobicContact CB-CZ 4.43Å; K192-F224 HydrophobicContact CD-CD1 4.41Å; K192-F224 HydrophobicContact CG-CD1 3.83Å; K192-F224 HydrophobicContact CG-CE1 4.19Å; K192-F224 HydrophobicContact CG-CG 4.35Å
193	E	93.4	Very high	91.6	Very high	83 Å²	83	53.5 Å²	53.5	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-42.3	175.7	-76.7	177.9	-161.9	0	0	112	Q189 C190 L191 G196 R197	Q189-E193 PolarHBondContact NE2-OE1 2.93Å; Q189-E193 WeakPolarHBondContact O-CB 3.21Å; Q189-E193 WeakPolarHBondContact O-CG 3.32Å; Q189-E193 PolarHBondContact O-N 3.21Å; C190-E193 PolarHBondContact O-N 3.25Å; L191-E193 PolarHBondContact O-N 2.87Å; E193-G196 PolarHBondContact O-N 2.79Å; E193-R197 WeakPolarHBondContact O-CG 3.29Å; E193-R197 PolarHBondContact O-N 2.69Å; E193-R197 IonicContact OE2-NH2 3.82Å
194	H	93.5	Very high	92	Very high	40 Å²	40	52.3 Å²	52.3	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-40.8	176.2	-76.6	87.5	0	0	0	112.1	Y181 C190 L191 G196 R197 I198	Y181-H194 HydrophobicContact CD2-CB 4.4Å; Y181-H194 AromaticContact CD2-CD2 3.24Å; Y181-H194 WeakPolarHBondContact CD2-CD2 3.44Å; Y181-H194 AromaticContact CD2-CE1 3.56Å; Y181-H194 AromaticContact CD2-CG 3.55Å; Y181-H194 AromaticContact CD2-ND1 3.74Å; Y181-H194 AromaticContact CD2-NE2 3.29Å; Y181-H194 VanDerWaalsContact CD2-NE2 3.29Å; Y181-H194 WeakPolarHBondContact CD2-NE2 3.4Å; Y181-H194 AromaticContact CE2-CD2 3.98Å; Y181-H194 AromaticContact CE2-CE1 3.48Å; Y181-H194 VanDerWaalsContact CE2-CE1 3.48Å; Y181-H194 WeakPolarHBondContact CE2-CE1 3.47Å; Y181-H194 AromaticContact CE2-ND1 3.92Å; Y181-H194 AromaticContact CE2-NE2 3.54Å; Y181-H194 HydrophobicContact CG-CB 4Å; Y181-H194 AromaticContact CG-CD2 3.72Å; Y181-H194 AromaticContact CG-CG 3.62Å; Y181-H194 AromaticContact CG-ND1 3.99Å; C190-H194 PolarHBondContact O-N 3.26Å; C190-H194 PolarHBondContact O-ND1 3.04Å; C190-H194 VanDerWaalsContact SG-CE1 3.54Å; L191-H194 PolarHBondContact O-N 3.2Å; H194-G196 VanDerWaalsContact C-N 3.27Å; H194-G196 PolarHBondContact O-N 2.95Å; H194-R197 PolarHBondContact O-N 2.74Å; H194-R197 VanDerWaalsContact O-N 3.16Å; H194-I198 WeakPolarHBondContact O-CD1 3.37Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.35Å; H194-I198 PolarHBondContact O-N 3.36Å
195	A	92.8	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-41.3	172	0	0	0	0	0	112	L191 K192 G199 Y200 V202 F224 I246	L191-A195 PolarHBondContact O-N 3.3Å; K192-A195 PolarHBondContact O-N 3.1Å; A195-G199 PolarHBondContact O-N 3.11Å; A195-Y200 HydrophobicContact CB-CE1 4.18Å; A195-V202 HydrophobicContact CB-CG2 4.02Å; A195-F224 HydrophobicContact CB-CD2 3.78Å; A195-F224 HydrophobicContact CB-CE2 3.42Å; A195-F224 VanDerWaalsContact CB-CE2 3.42Å; A195-F224 HydrophobicContact CB-CZ 4.13Å; A195-I246 HydrophobicContact CB-CD1 4.3Å; A195-I246 HydrophobicContact CB-CG2 4.21Å
196	G	91.9	Very high	91.8	Very high	43 Å²	43	41.7 Å²	41.7	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-41.7	173.8	0	0	0	0	0	113.4	K192 E193 H194 G199	K192-G196 PolarHBondContact O-N 3.03Å; E193-G196 PolarHBondContact O-N 2.79Å; H194-G196 VanDerWaalsContact C-N 3.27Å; H194-G196 PolarHBondContact O-N 2.95Å; G196-G199 PolarHBondContact O-N 3.43Å
197	R	92.6	Very high	91.2	Very high	168 Å²	168	40.7 Å²	40.7	63%	0.634	21%	0.213	S	C	*	.	H	α-helix	trans	-67	-44	177.8	-70.9	175.6	-169.7	155.5	9	113	E193 H194 G199	E193-R197 WeakPolarHBondContact O-CG 3.29Å; E193-R197 PolarHBondContact O-N 2.69Å; E193-R197 IonicContact OE2-NH2 3.82Å; H194-R197 PolarHBondContact O-N 2.74Å; H194-R197 VanDerWaalsContact O-N 3.16Å; R197-G199 PolarHBondContact O-N 3.02Å
198	I	92.5	Very high	90.2	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-32	175.8	-64.2	160.8	0	0	0	110.7	E179 H194 V202 I246 K248	E179-I198 HydrophobicContact CG-CG1 4.38Å; H194-I198 WeakPolarHBondContact O-CD1 3.37Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.35Å; H194-I198 PolarHBondContact O-N 3.36Å; I198-V202 HydrophobicContact CB-CG1 4.21Å; I198-V202 HydrophobicContact CG2-CG1 3.89Å; I198-I246 HydrophobicContact CD1-CB 4.37Å; I198-I246 HydrophobicContact CD1-CG2 3.82Å; I198-K248 HydrophobicContact CG2-CB 3.81Å; I198-K248 HydrophobicContact CG2-CD 3.69Å; I198-K248 HydrophobicContact CG2-CG 4.38Å; I198-K248 PolarHBondContact O-NZ 3.29Å; I198-K248 VanDerWaalsContact O-NZ 3.17Å
199	G	90.8	Very high	88.6	Confident	22 Å²	22	44.8 Å²	44.8	23%	0.227	23%	0.226	C	C	.	.			trans	80.8	137.7	-178.9	0	0	0	0	0	112.6	A195 G196 R197 V202 K248	A195-G199 PolarHBondContact O-N 3.11Å; G196-G199 PolarHBondContact O-N 3.43Å; R197-G199 PolarHBondContact O-N 3.02Å; G199-V202 WeakPolarHBondContact O-CG1 3.43Å; G199-K248 PolarHBondContact O-NZ 3.46Å
200	Y	90.1	Very high	86.9	Confident	52 Å²	52	41.3 Å²	41.3	20%	0.204	22%	0.222	C	C	.	.	S	Bend	trans	-70.7	152.2	179.4	-63.1	-83.1	0	0	0	112.6	A195 V202 V218 R219 E221 F224	A195-Y200 HydrophobicContact CB-CE1 4.18Å; Y200-V202 HydrophobicContact CD1-CG2 3.91Å; Y200-V202 HydrophobicContact CE1-CG2 3.81Å; Y200-V218 HydrophobicContact CD1-CB 4.39Å; Y200-V218 HydrophobicContact CD1-CG1 3.99Å; Y200-V218 HydrophobicContact CE1-CB 4.24Å; Y200-V218 HydrophobicContact CE1-CG1 3.62Å; Y200-R219 WeakPolarHBondContact CB-O 3.42Å; Y200-E221 HydrophobicContact CD2-CB 4.49Å; Y200-E221 HydrophobicContact CE2-CB 3.73Å; Y200-E221 HydrophobicContact CE2-CG 4.19Å; Y200-F224 HydrophobicContact CE1-CD2 4.21Å
201	P	92.6	Very high	85.2	Confident	42 Å²	42	43.4 Å²	43.4	27%	0.273	25%	0.246	S	C	.	.	S	Bend	cis	-71.9	146.8	-4.4	29.5	-34	0	0	0	113.1	V218 F249	P201-V218 CarbonylContact C-O 3.56Å; P201-V218 VanDerWaalsContact CA-O 3.27Å; P201-V218 WeakPolarHBondContact CA-O 3.36Å; P201-F249 HydrophobicContact CB-CB 3.94Å; P201-F249 HydrophobicContact CB-CD1 4.17Å; P201-F249 HydrophobicContact CB-CG 4.31Å; P201-F249 HydrophobicContact CG-CB 4.05Å; P201-F249 HydrophobicContact CG-CD1 3.86Å; P201-F249 HydrophobicContact CG-CG 4.35Å; P201-F249 WeakPolarHBondContact O-CB 3.36Å; P201-F249 PolarHBondContact O-N 3.02Å
202	V	93.6	Very high	83.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.9	173.9	-59.8	0	0	0	0	110.6	A195 I198 G199 Y200 V218 I246 E247	A195-V202 HydrophobicContact CB-CG2 4.02Å; I198-V202 HydrophobicContact CB-CG1 4.21Å; I198-V202 HydrophobicContact CG2-CG1 3.89Å; G199-V202 WeakPolarHBondContact O-CG1 3.43Å; Y200-V202 HydrophobicContact CD1-CG2 3.91Å; Y200-V202 HydrophobicContact CE1-CG2 3.81Å; V202-V218 HydrophobicContact CG2-CB 3.88Å; V202-V218 HydrophobicContact CG2-CG2 4.36Å; V202-V218 PolarHBondContact N-O 3.47Å; V202-V218 PolarHBondContact O-N 2.63Å; V202-I246 HydrophobicContact CB-CG2 4.01Å; V202-I246 HydrophobicContact CG1-CG2 4.39Å; V202-I246 HydrophobicContact CG2-CG2 4.1Å; V202-E247 CarbonylContact C-O 3.57Å; V202-E247 VanDerWaalsContact CA-O 3.3Å; V202-E247 WeakPolarHBondContact CA-O 3.44Å; V202-E247 WeakPolarHBondContact CB-O 3.35Å
203	M	91.5	Very high	82.2	Confident	31 Å²	31	46.4 Å²	46.4	15%	0.153	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127	174.8	-166	178.9	-56.5	0	0	110.1	K205 M215 R216 I217 I246 E247 F249	M203-K205 HydrophobicContact CG-CG 4.05Å; M203-K205 HydrophobicContact SD-CD 4.22Å; M203-K205 WeakPolarHBondContact SD-CE 3.32Å; M203-K205 HydrophobicContact SD-CG 4.07Å; M203-M215 HydrophobicContact SD-CB 4.42Å; M203-M215 HydrophobicContact SD-SD 4.09Å; M203-R216 CarbonylContact C-O 3.5Å; M203-R216 WeakPolarHBondContact CA-O 3.48Å; M203-R216 WeakPolarHBondContact CG-O 3.37Å; M203-I217 HydrophobicContact CE-CG1 4.47Å; M203-I246 WeakPolarHBondContact O-CA 2.8Å; M203-E247 PolarHBondContact N-O 2.88Å; M203-E247 PolarHBondContact O-N 3.41Å; M203-F249 HydrophobicContact CB-CD2 4.42Å; M203-F249 HydrophobicContact CE-CD2 3.33Å; M203-F249 HydrophobicContact CE-CE2 3.51Å
204	I	90.9	Very high	81	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.9	169.2	-56.3	175.3	0	0	0	107.3	M215 R216 V218 F224 Q227 L228 A231 V244 L245	I204-M215 CarbonylContact O-C 3.45Å; I204-M215 VanDerWaalsContact O-CA 3.27Å; I204-M215 WeakPolarHBondContact O-CA 3.24Å; I204-R216 PolarHBondContact N-O 2.84Å; I204-R216 PolarHBondContact O-N 2.67Å; I204-V218 HydrophobicContact CD1-CG2 3.65Å; I204-V218 HydrophobicContact CG1-CG2 3.9Å; I204-F224 HydrophobicContact CD1-CD2 4.34Å; I204-F224 HydrophobicContact CD1-CE2 3.96Å; I204-F224 HydrophobicContact CD1-CZ 4.38Å; I204-F224 HydrophobicContact CG1-CE2 4.36Å; I204-Q227 HydrophobicContact CD1-CB 4.37Å; I204-L228 HydrophobicContact CD1-CB 3.91Å; I204-L228 HydrophobicContact CD1-CD1 4.3Å; I204-L228 HydrophobicContact CG2-CD1 4.35Å; I204-A231 HydrophobicContact CB-CB 4.34Å; I204-A231 HydrophobicContact CG2-CB 3.66Å; I204-V244 HydrophobicContact CG2-CB 3.84Å; I204-V244 HydrophobicContact CG2-CG1 4.02Å; I204-V244 HydrophobicContact CG2-CG2 4.11Å; I204-L245 WeakPolarHBondContact CA-O 3.33Å
205	K	87.3	Confident	80.5	Confident	21 Å²	21	43.2 Å²	43.2	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.2	175.8	-53.8	-178.4	171.5	167.6	0	110.4	M203 M215 V244 L245 E247	M203-K205 HydrophobicContact CG-CG 4.05Å; M203-K205 HydrophobicContact SD-CD 4.22Å; M203-K205 WeakPolarHBondContact SD-CE 3.32Å; M203-K205 HydrophobicContact SD-CG 4.07Å; K205-M215 HydrophobicContact CB-CG 4.36Å; K205-M215 HydrophobicContact CD-SD 4.17Å; K205-M215 HydrophobicContact CG-CG 3.97Å; K205-M215 HydrophobicContact CG-SD 4.2Å; K205-V244 CarbonylContact O-C 3.57Å; K205-V244 WeakPolarHBondContact O-CA 3.21Å; K205-V244 WeakPolarHBondContact O-CB 3.35Å; K205-L245 HydrophobicContact CB-CD1 3.71Å; K205-L245 HydrophobicContact CB-CG 3.97Å; K205-L245 HydrophobicContact CD-CD1 4.05Å; K205-L245 HydrophobicContact CG-CD1 4.09Å; K205-L245 PolarHBondContact N-O 3.29Å; K205-L245 PolarHBondContact O-N 3.11Å; K205-E247 VanDerWaalsContact CE-OE2 3.27Å; K205-E247 WeakPolarHBondContact CE-OE2 3.49Å; K205-E247 IonicContact NZ-OE2 2.71Å; K205-E247 PolarHBondContact NZ-OE2 3.39Å
206	A	84	Confident	80.3	Confident	3 Å²	3	46 Å²	46	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.8	168.6	0	0	0	0	0	111.1	R208 A235 F239	A206-R208 VanDerWaalsContact C-N 3.34Å; A206-R208 WeakPolarHBondContact CB-O 3.44Å; A206-A235 HydrophobicContact CB-CB 3.71Å; A206-F239 HydrophobicContact CB-CD2 4.27Å; A206-F239 HydrophobicContact CB-CE2 4.24Å
207	V	79	Confident	80.2	Confident	27 Å²	27	47.1 Å²	47.1	16%	0.164	26%	0.257	C	S	.	.	S	Bend	trans	-65.7	-40.3	176.4	172.2	0	0	0	0	110.9	A243 L245	V207-A243 HydrophobicContact CB-CB 4.15Å; V207-A243 HydrophobicContact CG2-CB 3.86Å; V207-A243 PolarHBondContact N-O 3.21Å; V207-L245 HydrophobicContact CG2-CB 4.48Å; V207-L245 HydrophobicContact CG2-CD2 4.45Å
208	R	70.9	Confident	80.2	Confident	158 Å²	158	39.1 Å²	39.1	60%	0.596	23%	0.227	S	C	*	.	S	Bend	trans	-96.9	145.7	175.8	-61.6	-169.8	-172.4	-140.6	-4.4	111.2	A206 F239 D241	A206-R208 VanDerWaalsContact C-N 3.34Å; A206-R208 WeakPolarHBondContact CB-O 3.44Å; R208-F239 HydrophobicContact CB-CB 4.05Å; R208-F239 HydrophobicContact CB-CG 4.26Å; R208-F239 WeakPolarHBondContact O-CD2 3.36Å; R208-F239 VanDerWaalsContact O-CE2 3.26Å; R208-F239 WeakPolarHBondContact O-CE2 3.24Å; R208-D241 WeakPolarHBondContact CD-OD2 3.09Å; R208-D241 HydrophobicContact CG-CB 4.31Å; R208-D241 WeakPolarHBondContact CG-OD2 3.34Å; R208-D241 IonicContact CZ-OD2 2.67Å; R208-D241 IonicContact NE-OD2 3.84Å; R208-D241 PolarHBondContact NE-OD2 3.44Å
209	G	60.5	Low	80.2	Confident	31 Å²	31	46 Å²	46	32%	0.32	25%	0.252	S	S	.	.			trans	98.7	158.2	172	0	0	0	0	0	115.7	K163	K163-G209 WeakPolarHBondContact CE-O 3.47Å; K163-G209 PolarHBondContact NZ-O 3.45Å
210	G	57.4	Low	80.3	Confident	46 Å²	46	46.3 Å²	46.3	47%	0.474	25%	0.251	S	S	.	.	S	Bend	trans	-120.9	179.8	178.8	0	0	0	0	0	112.9	G212	G210-G212 PolarHBondContact O-N 2.91Å
211	G	58.1	Low	80.5	Confident	58 Å²	58	48.6 Å²	48.6	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	25.7	171.9	0	0	0	0	0	115.6	K213 H282	G211-K213 VanDerWaalsContact C-N 3.29Å; G211-K213 PolarHBondContact O-N 3.06Å; G211-H282 PolarHBondContact O-CD2 2.97Å; G211-H282 VanDerWaalsContact O-CD2 3.28Å
212	G	60.5	Low	80.5	Confident	23 Å²	23	54.4 Å²	54.4	24%	0.237	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	2.9	170.8	0	0	0	0	0	117.7	G210 M215	G210-G212 PolarHBondContact O-N 2.91Å; G212-M215 WeakPolarHBondContact O-CG 3.47Å; G212-M215 PolarHBondContact O-N 3.17Å
213	K	63.2	Low	80.4	Confident	111 Å²	111	57.6 Å²	57.6	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	133.6	173.5	-63.5	-175.3	178.7	-176.1	0	110.8	G211 F239	G211-K213 VanDerWaalsContact C-N 3.29Å; G211-K213 PolarHBondContact O-N 3.06Å; K213-F239 HydrophobicContact CB-CE2 4.43Å; K213-F239 HydrophobicContact CB-CZ 4.13Å
214	G	67.7	Low	80.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	19.4	-179.9	0	0	0	0	0	114.8	E234	G214-E234 VanDerWaalsContact CA-CD 3.5Å; G214-E234 PolarHBondContact N-OE1 3.43Å
215	M	82.7	Confident	80.5	Confident	56 Å²	56	59.5 Å²	59.5	28%	0.276	31%	0.31	S	S	.	.			trans	-91.4	135.2	174.2	-59.3	-168.6	-50.2	0	0	111.4	M203 I204 K205 G212	M203-M215 HydrophobicContact SD-CB 4.42Å; M203-M215 HydrophobicContact SD-SD 4.09Å; I204-M215 CarbonylContact O-C 3.45Å; I204-M215 VanDerWaalsContact O-CA 3.27Å; I204-M215 WeakPolarHBondContact O-CA 3.24Å; K205-M215 HydrophobicContact CB-CG 4.36Å; K205-M215 HydrophobicContact CD-SD 4.17Å; K205-M215 HydrophobicContact CG-CG 3.97Å; K205-M215 HydrophobicContact CG-SD 4.2Å; G212-M215 WeakPolarHBondContact O-CG 3.47Å; G212-M215 PolarHBondContact O-N 3.17Å
216	R	87.5	Confident	80.7	Confident	57 Å²	57	64.8 Å²	64.8	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.3	172.9	-64.5	-61.1	-177.2	-90.5	-6.5	110.8	M203 I204 Q227 S230 A231 E234	M203-R216 CarbonylContact C-O 3.5Å; M203-R216 WeakPolarHBondContact CA-O 3.48Å; M203-R216 WeakPolarHBondContact CG-O 3.37Å; I204-R216 PolarHBondContact N-O 2.84Å; I204-R216 PolarHBondContact O-N 2.67Å; R216-Q227 HydrophobicContact CB-CB 4.03Å; R216-Q227 VanDerWaalsContact CD-OE1 3.22Å; R216-Q227 HydrophobicContact CG-CB 4.48Å; R216-S230 PolarHBondContact NE-OG 2.88Å; R216-S230 PolarHBondContact NH2-OG 2.62Å; R216-A231 HydrophobicContact CG-CB 3.95Å; R216-E234 IonicContact CZ-OE2 3.2Å; R216-E234 IonicContact NH1-OE2 2.83Å; R216-E234 PolarHBondContact NH1-OE2 3.07Å; R216-E234 IonicContact NH2-OE2 3.72Å; R216-E234 PolarHBondContact NH2-OE2 3.42Å
217	I	90.4	Very high	81.1	Confident	67 Å²	67	66.6 Å²	66.6	34%	0.344	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.1	172.5	-55.6	167.7	0	0	0	106.9	M203 R219 F249	M203-I217 HydrophobicContact CE-CG1 4.47Å; I217-R219 HydrophobicContact CG2-CG 4.28Å; I217-F249 HydrophobicContact CD1-CD2 4.21Å; I217-F249 HydrophobicContact CD1-CE2 3.42Å; I217-F249 VanDerWaalsContact CD1-CE2 3.42Å; I217-F249 HydrophobicContact CD1-CZ 3.84Å; I217-F249 HydrophobicContact CG1-CD2 3.93Å; I217-F249 HydrophobicContact CG1-CE2 3.65Å; I217-F249 HydrophobicContact CG1-CZ 4.46Å; I217-F249 HydrophobicContact CG2-CD2 3.91Å; I217-F249 HydrophobicContact CG2-CE2 4.1Å; I217-F249 HydrophobicContact CG2-CG 4.2Å
218	V	92.6	Very high	81.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.9	175.4	-171	0	0	0	0	107.7	Y200 P201 V202 I204 S220 E223 F224 Q227	Y200-V218 HydrophobicContact CD1-CB 4.39Å; Y200-V218 HydrophobicContact CD1-CG1 3.99Å; Y200-V218 HydrophobicContact CE1-CB 4.24Å; Y200-V218 HydrophobicContact CE1-CG1 3.62Å; P201-V218 CarbonylContact C-O 3.56Å; P201-V218 VanDerWaalsContact CA-O 3.27Å; P201-V218 WeakPolarHBondContact CA-O 3.36Å; V202-V218 HydrophobicContact CG2-CB 3.88Å; V202-V218 HydrophobicContact CG2-CG2 4.36Å; V202-V218 PolarHBondContact N-O 3.47Å; V202-V218 PolarHBondContact O-N 2.63Å; I204-V218 HydrophobicContact CD1-CG2 3.65Å; I204-V218 HydrophobicContact CG1-CG2 3.9Å; V218-S220 WeakPolarHBondContact CG1-O 3.37Å; V218-E223 HydrophobicContact CG1-CB 4.07Å; V218-F224 HydrophobicContact CG1-CB 4Å; V218-F224 HydrophobicContact CG1-CD2 4.11Å; V218-F224 HydrophobicContact CG2-CD2 4.29Å; V218-Q227 HydrophobicContact CG2-CB 3.68Å; V218-Q227 HydrophobicContact CG2-CG 4.11Å
219	R	92.5	Very high	82.7	Confident	161 Å²	161	62.2 Å²	62.2	61%	0.608	33%	0.328	S	S	*	.			trans	-88.7	-23.4	-176.2	-66	-175.7	175.4	-87.8	-1	113.1	Y200 I217 E223	Y200-R219 WeakPolarHBondContact CB-O 3.42Å; I217-R219 HydrophobicContact CG2-CG 4.28Å; R219-E223 PolarHBondContact N-OE2 2.76Å
220	S	93.8	Very high	83.9	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.203	32%	0.322	C	S	.	.	S	Bend	trans	-146.2	160.7	-176.3	68.8	0	0	0	0	111.3	V218 Q222 E223	V218-S220 WeakPolarHBondContact CG1-O 3.37Å; S220-Q222 PolarHBondContact O-N 3.02Å; S220-Q222 PolarHBondContact OG-OE1 2.8Å; S220-E223 PolarHBondContact O-N 3.49Å; S220-E223 VanDerWaalsContact OG-CD 3.31Å; S220-E223 WeakPolarHBondContact OG-CG 3.47Å; S220-E223 PolarHBondContact OG-OE1 2.89Å
221	E	92.9	Very high	85.4	Confident	100 Å²	100	60 Å²	60	47%	0.467	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.1	-32.1	179.1	-167.7	-172.7	154	0	0	112.5	K192 Y200 E223 F224	K192-E221 VanDerWaalsContact CE-CG 3.41Å; K192-E221 WeakPolarHBondContact CE-OE1 3.43Å; K192-E221 IonicContact NZ-OE1 3.36Å; K192-E221 PolarHBondContact NZ-OE1 2.86Å; Y200-E221 HydrophobicContact CD2-CB 4.49Å; Y200-E221 HydrophobicContact CE2-CB 3.73Å; Y200-E221 HydrophobicContact CE2-CG 4.19Å; E221-E223 VanDerWaalsContact C-N 3.27Å; E221-E223 PolarHBondContact O-N 3.43Å; E221-F224 WeakPolarHBondContact O-CB 3.42Å; E221-F224 PolarHBondContact O-N 3.01Å
222	Q	92.7	Very high	86.8	Confident	164 Å²	164	59.4 Å²	59.4	77%	0.766	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.9	-31.7	-179.9	-63.9	83.3	-1	0	0	112.5	S220 F224	S220-Q222 PolarHBondContact O-N 3.02Å; S220-Q222 PolarHBondContact OG-OE1 2.8Å; Q222-F224 VanDerWaalsContact C-N 3.35Å
223	E	92.3	Very high	88	Confident	66 Å²	66	66.3 Å²	66.3	31%	0.308	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-81.4	-14.3	179.9	-69.4	161.4	-140.3	0	0	113.1	V218 R219 S220 E221 Q225 E226 Q227	V218-E223 HydrophobicContact CG1-CB 4.07Å; R219-E223 PolarHBondContact N-OE2 2.76Å; S220-E223 PolarHBondContact O-N 3.49Å; S220-E223 VanDerWaalsContact OG-CD 3.31Å; S220-E223 WeakPolarHBondContact OG-CG 3.47Å; S220-E223 PolarHBondContact OG-OE1 2.89Å; E221-E223 VanDerWaalsContact C-N 3.27Å; E221-E223 PolarHBondContact O-N 3.43Å; E223-Q225 PolarHBondContact O-N 2.95Å; E223-E226 PolarHBondContact O-N 3.49Å; E223-Q227 HydrophobicContact CB-CG 4.42Å; E223-Q227 WeakPolarHBondContact O-CG 3.5Å; E223-Q227 PolarHBondContact O-N 2.97Å; E223-Q227 VanDerWaalsContact O-N 3.12Å
224	F	93.3	Very high	88.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-47.5	-165.9	-175.4	-94.1	0	0	0	113.3	L191 K192 A195 Y200 I204 V218 E221 Q222 Q227 L228 I246	L191-F224 HydrophobicContact CB-CE1 4.26Å; L191-F224 HydrophobicContact CB-CZ 3.99Å; K192-F224 VanDerWaalsContact CA-CE1 3.49Å; K192-F224 HydrophobicContact CB-CD1 3.81Å; K192-F224 HydrophobicContact CB-CE1 3.66Å; K192-F224 HydrophobicContact CB-CZ 4.43Å; K192-F224 HydrophobicContact CD-CD1 4.41Å; K192-F224 HydrophobicContact CG-CD1 3.83Å; K192-F224 HydrophobicContact CG-CE1 4.19Å; K192-F224 HydrophobicContact CG-CG 4.35Å; A195-F224 HydrophobicContact CB-CD2 3.78Å; A195-F224 HydrophobicContact CB-CE2 3.42Å; A195-F224 VanDerWaalsContact CB-CE2 3.42Å; A195-F224 HydrophobicContact CB-CZ 4.13Å; Y200-F224 HydrophobicContact CE1-CD2 4.21Å; I204-F224 HydrophobicContact CD1-CD2 4.34Å; I204-F224 HydrophobicContact CD1-CE2 3.96Å; I204-F224 HydrophobicContact CD1-CZ 4.38Å; I204-F224 HydrophobicContact CG1-CE2 4.36Å; V218-F224 HydrophobicContact CG1-CB 4Å; V218-F224 HydrophobicContact CG1-CD2 4.11Å; V218-F224 HydrophobicContact CG2-CD2 4.29Å; E221-F224 WeakPolarHBondContact O-CB 3.42Å; E221-F224 PolarHBondContact O-N 3.01Å; Q222-F224 VanDerWaalsContact C-N 3.35Å; F224-Q227 PolarHBondContact O-N 3.3Å; F224-L228 HydrophobicContact CE1-CB 4.45Å; F224-L228 HydrophobicContact CE1-CD2 3.93Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 VanDerWaalsContact O-CB 3.3Å; F224-L228 WeakPolarHBondContact O-CB 3.28Å; F224-L228 PolarHBondContact O-N 3.44Å; F224-I246 HydrophobicContact CE2-CD1 4.01Å; F224-I246 HydrophobicContact CZ-CD1 3.78Å
225	Q	92.2	Very high	89.6	Confident	72 Å²	72	63.6 Å²	63.6	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-46.4	-175.6	-171.4	62.1	33.3	0	0	111.8	D188 E223 Q227 L228 E229	D188-Q225 PolarHBondContact OD2-NE2 2.85Å; E223-Q225 PolarHBondContact O-N 2.95Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q225-Q227 PolarHBondContact O-N 3.2Å; Q225-L228 PolarHBondContact O-N 3.31Å; Q225-E229 PolarHBondContact NE2-OE1 2.93Å; Q225-E229 WeakPolarHBondContact O-CG 3.31Å; Q225-E229 PolarHBondContact O-N 3Å; Q225-E229 VanDerWaalsContact O-N 3.07Å
226	E	90.9	Very high	89.6	Confident	131 Å²	131	65.4 Å²	65.4	61%	0.612	29%	0.294	S	S	*	.	H	α-helix	trans	-61.4	-44.5	179.5	-175.2	-173	171.6	0	0	111.3	E223 S230	E223-E226 PolarHBondContact O-N 3.49Å; E226-S230 WeakPolarHBondContact O-CB 3.44Å; E226-S230 PolarHBondContact O-N 3.42Å
227	Q	92.2	Very high	89.3	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-36.6	-179.8	-65.3	-55.1	-28.6	0	0	112.3	I204 R216 V218 E223 F224 Q225 S230 A231	I204-Q227 HydrophobicContact CD1-CB 4.37Å; R216-Q227 HydrophobicContact CB-CB 4.03Å; R216-Q227 VanDerWaalsContact CD-OE1 3.22Å; R216-Q227 HydrophobicContact CG-CB 4.48Å; V218-Q227 HydrophobicContact CG2-CB 3.68Å; V218-Q227 HydrophobicContact CG2-CG 4.11Å; E223-Q227 HydrophobicContact CB-CG 4.42Å; E223-Q227 WeakPolarHBondContact O-CG 3.5Å; E223-Q227 PolarHBondContact O-N 2.97Å; E223-Q227 VanDerWaalsContact O-N 3.12Å; F224-Q227 PolarHBondContact O-N 3.3Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q225-Q227 PolarHBondContact O-N 3.2Å; Q227-S230 PolarHBondContact O-N 3.01Å; Q227-A231 WeakPolarHBondContact O-CB 3.39Å; Q227-A231 PolarHBondContact O-N 3.34Å
228	L	92.3	Very high	88.5	Confident	0 Å²	0	71 Å²	71	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-49	174.7	176.9	60.8	0	0	0	111.4	D188 L191 I204 F224 Q225 S230 A231 R232 V244	D188-L228 HydrophobicContact CB-CD2 4.26Å; L191-L228 HydrophobicContact CD1-CD1 3.94Å; L191-L228 HydrophobicContact CD1-CD2 4.08Å; I204-L228 HydrophobicContact CD1-CB 3.91Å; I204-L228 HydrophobicContact CD1-CD1 4.3Å; I204-L228 HydrophobicContact CG2-CD1 4.35Å; F224-L228 HydrophobicContact CE1-CB 4.45Å; F224-L228 HydrophobicContact CE1-CD2 3.93Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 VanDerWaalsContact O-CB 3.3Å; F224-L228 WeakPolarHBondContact O-CB 3.28Å; F224-L228 PolarHBondContact O-N 3.44Å; Q225-L228 PolarHBondContact O-N 3.31Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 3.43Å; L228-A231 PolarHBondContact O-N 3.24Å; L228-R232 HydrophobicContact CD1-CG 4.32Å; L228-R232 WeakPolarHBondContact O-CG 3.23Å; L228-R232 PolarHBondContact O-N 3.26Å; L228-V244 HydrophobicContact CD1-CG2 3.65Å
229	E	90.1	Very high	87.8	Confident	94 Å²	94	73.9 Å²	73.9	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-36.7	177.8	-71.4	175.4	-166.4	0	0	112.3	Q225 R233	Q225-E229 PolarHBondContact NE2-OE1 2.93Å; Q225-E229 WeakPolarHBondContact O-CG 3.31Å; Q225-E229 PolarHBondContact O-N 3Å; Q225-E229 VanDerWaalsContact O-N 3.07Å; E229-R233 WeakPolarHBondContact O-CB 3.16Å; E229-R233 WeakPolarHBondContact O-CG 3.45Å; E229-R233 PolarHBondContact O-N 2.94Å; E229-R233 VanDerWaalsContact O-N 3.11Å; E229-R233 PolarHBondContact O-NE 3.29Å
230	S	87.4	Confident	87.2	Confident	29 Å²	29	72.1 Å²	72.1	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-47	173.3	-168.3	0	0	0	0	111.7	R216 E226 Q227 L228 R233 E234	R216-S230 PolarHBondContact NE-OG 2.88Å; R216-S230 PolarHBondContact NH2-OG 2.62Å; E226-S230 WeakPolarHBondContact O-CB 3.44Å; E226-S230 PolarHBondContact O-N 3.42Å; Q227-S230 PolarHBondContact O-N 3.01Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 3.43Å; S230-R233 PolarHBondContact O-N 3.3Å; S230-E234 PolarHBondContact O-N 3.22Å
231	A	87.9	Confident	86.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-46.1	178.6	0	0	0	0	0	111.9	I204 R216 Q227 L228 R233 E234 A235	I204-A231 HydrophobicContact CB-CB 4.34Å; I204-A231 HydrophobicContact CG2-CB 3.66Å; R216-A231 HydrophobicContact CG-CB 3.95Å; Q227-A231 WeakPolarHBondContact O-CB 3.39Å; Q227-A231 PolarHBondContact O-N 3.34Å; L228-A231 PolarHBondContact O-N 3.24Å; A231-R233 PolarHBondContact O-N 2.7Å; A231-E234 PolarHBondContact O-N 2.47Å; A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 3.41Å
232	R	88.1	Confident	86.3	Confident	46 Å²	46	71.4 Å²	71.4	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-42.9	178	-75.3	-167	177.2	145.5	2.5	113.1	Q186 D188 L228 E234 A235 K236 D242 V244	Q186-R232 PolarHBondContact O-NH2 3.11Å; D188-R232 IonicContact OD1-CZ 2.81Å; D188-R232 VanDerWaalsContact OD1-CZ 3.25Å; D188-R232 IonicContact OD1-NH1 3.21Å; D188-R232 PolarHBondContact OD1-NH1 3.43Å; D188-R232 IonicContact OD1-NH2 3.39Å; D188-R232 PolarHBondContact OD1-NH2 2.86Å; D188-R232 IonicContact OD2-NH1 2.73Å; L228-R232 HydrophobicContact CD1-CG 4.32Å; L228-R232 WeakPolarHBondContact O-CG 3.23Å; L228-R232 PolarHBondContact O-N 3.26Å; R232-E234 VanDerWaalsContact C-N 3.3Å; R232-E234 PolarHBondContact O-N 3.17Å; R232-A235 PolarHBondContact O-N 3.31Å; R232-K236 VanDerWaalsContact O-CB 3.3Å; R232-K236 WeakPolarHBondContact O-CB 3.33Å; R232-K236 PolarHBondContact O-N 3.03Å; R232-D242 HydrophobicContact CB-CB 4.32Å; R232-D242 HydrophobicContact CG-CB 4.39Å; R232-D242 WeakPolarHBondContact CG-O 3.32Å; R232-V244 HydrophobicContact CG-CG1 4.06Å
233	R	85.8	Confident	86	Confident	169 Å²	169	64.6 Å²	64.6	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-42.3	176.6	-79.4	-177.1	-68.5	178.4	-3.6	111.6	E229 S230 A231 K237	E229-R233 WeakPolarHBondContact O-CB 3.16Å; E229-R233 WeakPolarHBondContact O-CG 3.45Å; E229-R233 PolarHBondContact O-N 2.94Å; E229-R233 VanDerWaalsContact O-N 3.11Å; E229-R233 PolarHBondContact O-NE 3.29Å; S230-R233 PolarHBondContact O-N 3.3Å; A231-R233 PolarHBondContact O-N 2.7Å; R233-K237 VanDerWaalsContact O-CB 3.24Å; R233-K237 WeakPolarHBondContact O-CB 3.26Å; R233-K237 PolarHBondContact O-N 2.82Å
234	E	81.4	Confident	85.9	Confident	53 Å²	53	61.5 Å²	61.5	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-41.8	177.8	-169.4	175.6	161.8	0	0	112.2	G214 R216 S230 A231 R232 K237 S238	G214-E234 VanDerWaalsContact CA-CD 3.5Å; G214-E234 PolarHBondContact N-OE1 3.43Å; R216-E234 IonicContact CZ-OE2 3.2Å; R216-E234 IonicContact NH1-OE2 2.83Å; R216-E234 PolarHBondContact NH1-OE2 3.07Å; R216-E234 IonicContact NH2-OE2 3.72Å; R216-E234 PolarHBondContact NH2-OE2 3.42Å; S230-E234 PolarHBondContact O-N 3.22Å; A231-E234 PolarHBondContact O-N 2.47Å; R232-E234 VanDerWaalsContact C-N 3.3Å; R232-E234 PolarHBondContact O-N 3.17Å; E234-K237 PolarHBondContact O-N 3.03Å; E234-S238 VanDerWaalsContact O-CB 3.24Å; E234-S238 WeakPolarHBondContact O-CB 3.35Å; E234-S238 PolarHBondContact O-N 2.9Å; E234-S238 PolarHBondContact O-OG 3.35Å
235	A	82.6	Confident	85.7	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.7	0	0	0	0	0	111	A206 A231 R232 K237 S238 F239 D241	A206-A235 HydrophobicContact CB-CB 3.71Å; A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 3.41Å; R232-A235 PolarHBondContact O-N 3.31Å; A235-K237 PolarHBondContact O-N 2.94Å; A235-S238 PolarHBondContact O-N 3.49Å; A235-F239 WeakPolarHBondContact O-CA 3.31Å; A235-F239 WeakPolarHBondContact O-CB 3.34Å; A235-F239 PolarHBondContact O-N 3.36Å; A235-D241 CarbonylContact C-O 3.38Å; A235-D241 VanDerWaalsContact CB-O 3.22Å; A235-D241 WeakPolarHBondContact CB-O 3.18Å
236	K	83.4	Confident	85.6	Confident	94 Å²	94	58.2 Å²	58.2	41%	0.409	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.6	-166.8	69.7	-178.4	176.2	0	111.8	R232 S238 N240 D241 D242	R232-K236 VanDerWaalsContact O-CB 3.3Å; R232-K236 WeakPolarHBondContact O-CB 3.33Å; R232-K236 PolarHBondContact O-N 3.03Å; K236-S238 VanDerWaalsContact C-N 3.32Å; K236-S238 PolarHBondContact O-N 2.89Å; K236-N240 WeakPolarHBondContact CE-OD1 3.45Å; K236-N240 PolarHBondContact NZ-O 3.01Å; K236-N240 PolarHBondContact NZ-OD1 2.81Å; K236-N240 WeakPolarHBondContact O-CA 3.29Å; K236-N240 PolarHBondContact O-N 3.28Å; K236-D241 PolarHBondContact N-O 3.44Å; K236-D242 HydrophobicContact CB-CB 4.44Å; K236-D242 HydrophobicContact CD-CB 4.24Å
237	K	79.6	Confident	85.6	Confident	189 Å²	189	52.4 Å²	52.4	82%	0.822	25%	0.251	S	S	*	.	H	α-helix	trans	-63.4	-37.3	177.4	-178.3	179	177.2	-175.6	0	112.4	R233 E234 A235	R233-K237 VanDerWaalsContact O-CB 3.24Å; R233-K237 WeakPolarHBondContact O-CB 3.26Å; R233-K237 PolarHBondContact O-N 2.82Å; E234-K237 PolarHBondContact O-N 3.03Å; A235-K237 PolarHBondContact O-N 2.94Å
238	S	73.8	Confident	85.5	Confident	53 Å²	53	53.8 Å²	53.8	37%	0.371	26%	0.256	S	S	.	.	H	α-helix	trans	-91	-32.8	-171.8	-54.1	0	0	0	0	113.3	E234 A235 K236	E234-S238 VanDerWaalsContact O-CB 3.24Å; E234-S238 WeakPolarHBondContact O-CB 3.35Å; E234-S238 PolarHBondContact O-N 2.9Å; E234-S238 PolarHBondContact O-OG 3.35Å; A235-S238 PolarHBondContact O-N 3.49Å; K236-S238 VanDerWaalsContact C-N 3.32Å; K236-S238 PolarHBondContact O-N 2.89Å
239	F	77.8	Confident	85.4	Confident	59 Å²	59	54.9 Å²	54.9	26%	0.259	26%	0.261	S	S	.	.	H	α-helix	trans	-131.2	0.5	-167.6	-49.5	-60.7	0	0	0	113.7	A206 R208 K213 A235 D241	A206-F239 HydrophobicContact CB-CD2 4.27Å; A206-F239 HydrophobicContact CB-CE2 4.24Å; R208-F239 HydrophobicContact CB-CB 4.05Å; R208-F239 HydrophobicContact CB-CG 4.26Å; R208-F239 WeakPolarHBondContact O-CD2 3.36Å; R208-F239 VanDerWaalsContact O-CE2 3.26Å; R208-F239 WeakPolarHBondContact O-CE2 3.24Å; K213-F239 HydrophobicContact CB-CE2 4.43Å; K213-F239 HydrophobicContact CB-CZ 4.13Å; A235-F239 WeakPolarHBondContact O-CA 3.31Å; A235-F239 WeakPolarHBondContact O-CB 3.34Å; A235-F239 PolarHBondContact O-N 3.36Å; F239-D241 HydrophobicContact CB-CB 4.49Å; F239-D241 PolarHBondContact O-N 3.43Å; F239-D241 VanDerWaalsContact O-N 3.08Å
240	N	81.8	Confident	85.2	Confident	125 Å²	125	51.3 Å²	51.3	67%	0.668	25%	0.246	S	C	*	.	S	Bend	trans	54.8	20.1	-172.4	-162.2	27.1	0	0	0	114.1	K236	K236-N240 WeakPolarHBondContact CE-OD1 3.45Å; K236-N240 PolarHBondContact NZ-O 3.01Å; K236-N240 PolarHBondContact NZ-OD1 2.81Å; K236-N240 WeakPolarHBondContact O-CA 3.29Å; K236-N240 PolarHBondContact O-N 3.28Å
241	D	81.2	Confident	85	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.171	26%	0.264	C	S	.	.			trans	-132.2	126.8	-178.8	-170.4	-11.2	0	0	0	108.2	R208 A235 K236 F239 A243	R208-D241 WeakPolarHBondContact CD-OD2 3.09Å; R208-D241 HydrophobicContact CG-CB 4.31Å; R208-D241 WeakPolarHBondContact CG-OD2 3.34Å; R208-D241 IonicContact CZ-OD2 2.67Å; R208-D241 IonicContact NE-OD2 3.84Å; R208-D241 PolarHBondContact NE-OD2 3.44Å; A235-D241 CarbonylContact C-O 3.38Å; A235-D241 VanDerWaalsContact CB-O 3.22Å; A235-D241 WeakPolarHBondContact CB-O 3.18Å; K236-D241 PolarHBondContact N-O 3.44Å; F239-D241 HydrophobicContact CB-CB 4.49Å; F239-D241 PolarHBondContact O-N 3.43Å; F239-D241 VanDerWaalsContact O-N 3.08Å; D241-A243 VanDerWaalsContact OD1-CB 3.24Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.73Å
242	D	85.7	Confident	84.9	Confident	82 Å²	82	58.2 Å²	58.2	44%	0.439	28%	0.283	S	S	.	.			trans	-101.5	5	179.1	59.5	-19	0	0	0	113.1	R232 K236	R232-D242 HydrophobicContact CB-CB 4.32Å; R232-D242 HydrophobicContact CG-CB 4.39Å; R232-D242 WeakPolarHBondContact CG-O 3.32Å; K236-D242 HydrophobicContact CB-CB 4.44Å; K236-D242 HydrophobicContact CD-CB 4.24Å
243	A	87.1	Confident	85.1	Confident	21 Å²	21	56.8 Å²	56.8	17%	0.174	28%	0.28	C	S	.	.			trans	-65.3	134.4	172.7	0	0	0	0	0	111.2	V207 D241	V207-A243 HydrophobicContact CB-CB 4.15Å; V207-A243 HydrophobicContact CG2-CB 3.86Å; V207-A243 PolarHBondContact N-O 3.21Å; D241-A243 VanDerWaalsContact OD1-CB 3.24Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.73Å
244	V	89.4	Confident	85.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.8	179.3	-61.1	0	0	0	0	111.4	Q186 L191 I204 K205 L228 R232	Q186-V244 PolarHBondContact NE2-O 2.98Å; Q186-V244 VanDerWaalsContact NE2-O 3.12Å; Q186-V244 PolarHBondContact OE1-O 3.02Å; Q186-V244 VanDerWaalsContact OE1-O 3.11Å; L191-V244 HydrophobicContact CD1-CG2 3.82Å; L191-V244 HydrophobicContact CD2-CG2 4.41Å; I204-V244 HydrophobicContact CG2-CB 3.84Å; I204-V244 HydrophobicContact CG2-CG1 4.02Å; I204-V244 HydrophobicContact CG2-CG2 4.11Å; K205-V244 CarbonylContact O-C 3.57Å; K205-V244 WeakPolarHBondContact O-CA 3.21Å; K205-V244 WeakPolarHBondContact O-CB 3.35Å; L228-V244 HydrophobicContact CD1-CG2 3.65Å; R232-V244 HydrophobicContact CG-CG1 4.06Å
245	L	88.6	Confident	86.3	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	171.1	61.8	89.6	0	0	0	109.4	K163 Y181 H182 I204 K205 V207 E247	K163-L245 HydrophobicContact CB-CD2 4.44Å; K163-L245 HydrophobicContact CD-CD2 4.44Å; Y181-L245 WeakPolarHBondContact O-CA 3.47Å; H182-L245 HydrophobicContact CB-CB 4.21Å; I204-L245 WeakPolarHBondContact CA-O 3.33Å; K205-L245 HydrophobicContact CB-CD1 3.71Å; K205-L245 HydrophobicContact CB-CG 3.97Å; K205-L245 HydrophobicContact CD-CD1 4.05Å; K205-L245 HydrophobicContact CG-CD1 4.09Å; K205-L245 PolarHBondContact N-O 3.29Å; K205-L245 PolarHBondContact O-N 3.11Å; V207-L245 HydrophobicContact CG2-CB 4.48Å; V207-L245 HydrophobicContact CG2-CD2 4.45Å; L245-E247 VanDerWaalsContact CD1-CD 3.43Å; L245-E247 HydrophobicContact CD1-CG 3.57Å; L245-E247 WeakPolarHBondContact CD1-OE1 3.26Å
246	I	91.1	Very high	87	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	179.3	-56.3	175.3	0	0	0	107.8	G180 Y181 L191 A195 I198 V202 M203 F224	G180-I246 CarbonylContact C-O 3.57Å; G180-I246 WeakPolarHBondContact CA-O 3.35Å; Y181-I246 PolarHBondContact N-O 3.16Å; Y181-I246 PolarHBondContact O-N 3.22Å; L191-I246 HydrophobicContact CB-CD1 3.78Å; L191-I246 HydrophobicContact CD2-CD1 3.75Å; L191-I246 HydrophobicContact CD2-CG1 4.15Å; L191-I246 HydrophobicContact CG-CD1 4.36Å; L191-I246 WeakPolarHBondContact O-CD1 3.35Å; A195-I246 HydrophobicContact CB-CD1 4.3Å; A195-I246 HydrophobicContact CB-CG2 4.21Å; I198-I246 HydrophobicContact CD1-CB 4.37Å; I198-I246 HydrophobicContact CD1-CG2 3.82Å; V202-I246 HydrophobicContact CB-CG2 4.01Å; V202-I246 HydrophobicContact CG1-CG2 4.39Å; V202-I246 HydrophobicContact CG2-CG2 4.1Å; M203-I246 WeakPolarHBondContact O-CA 2.8Å; F224-I246 HydrophobicContact CE2-CD1 4.01Å; F224-I246 HydrophobicContact CZ-CD1 3.78Å
247	E	90.5	Very high	87.7	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.9	179.2	-72	173.4	-173.8	0	0	110.8	K167 V178 E179 V202 M203 K205 L245 F249	K167-E247 WeakPolarHBondContact CE-OE1 3.28Å; K167-E247 IonicContact NZ-OE1 3.82Å; K167-E247 PolarHBondContact NZ-OE1 3.41Å; K167-E247 IonicContact NZ-OE2 3.22Å; V178-E247 HydrophobicContact CG1-CB 3.97Å; V178-E247 HydrophobicContact CG1-CG 4.48Å; E179-E247 CarbonylContact O-C 3.46Å; E179-E247 WeakPolarHBondContact O-CA 3.24Å; V202-E247 CarbonylContact C-O 3.57Å; V202-E247 VanDerWaalsContact CA-O 3.3Å; V202-E247 WeakPolarHBondContact CA-O 3.44Å; V202-E247 WeakPolarHBondContact CB-O 3.35Å; M203-E247 PolarHBondContact N-O 2.88Å; M203-E247 PolarHBondContact O-N 3.41Å; K205-E247 VanDerWaalsContact CE-OE2 3.27Å; K205-E247 WeakPolarHBondContact CE-OE2 3.49Å; K205-E247 IonicContact NZ-OE2 2.71Å; K205-E247 PolarHBondContact NZ-OE2 3.39Å; L245-E247 VanDerWaalsContact CD1-CD 3.43Å; L245-E247 HydrophobicContact CD1-CG 3.57Å; L245-E247 WeakPolarHBondContact CD1-OE1 3.26Å; E247-F249 PolarHBondContact O-N 3.23Å
248	K	90.9	Very high	88.6	Confident	70 Å²	70	34.5 Å²	34.5	30%	0.304	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	129.9	166.5	-172.2	66.9	177.8	-173.4	0	109.8	V178 E179 I198 G199 V250	V178-K248 HydrophobicContact CG1-CB 3.85Å; V178-K248 WeakPolarHBondContact CG1-O 3.05Å; E179-K248 PolarHBondContact O-N 2.87Å; I198-K248 HydrophobicContact CG2-CB 3.81Å; I198-K248 HydrophobicContact CG2-CD 3.69Å; I198-K248 HydrophobicContact CG2-CG 4.38Å; I198-K248 PolarHBondContact O-NZ 3.29Å; I198-K248 VanDerWaalsContact O-NZ 3.17Å; G199-K248 PolarHBondContact O-NZ 3.46Å; K248-V250 PolarHBondContact O-N 3.42Å
249	F	89.3	Confident	89.8	Confident	24 Å²	24	32 Å²	32	11%	0.105	17%	0.168	C	C	.	.			trans	-75.3	123.5	172.7	-178.2	-100.4	0	0	0	109.4	P201 M203 I217 E247 D251	P201-F249 HydrophobicContact CB-CB 3.94Å; P201-F249 HydrophobicContact CB-CD1 4.17Å; P201-F249 HydrophobicContact CB-CG 4.31Å; P201-F249 HydrophobicContact CG-CB 4.05Å; P201-F249 HydrophobicContact CG-CD1 3.86Å; P201-F249 HydrophobicContact CG-CG 4.35Å; P201-F249 WeakPolarHBondContact O-CB 3.36Å; P201-F249 PolarHBondContact O-N 3.02Å; M203-F249 HydrophobicContact CB-CD2 4.42Å; M203-F249 HydrophobicContact CE-CD2 3.33Å; M203-F249 HydrophobicContact CE-CE2 3.51Å; I217-F249 HydrophobicContact CD1-CD2 4.21Å; I217-F249 HydrophobicContact CD1-CE2 3.42Å; I217-F249 VanDerWaalsContact CD1-CE2 3.42Å; I217-F249 HydrophobicContact CD1-CZ 3.84Å; I217-F249 HydrophobicContact CG1-CD2 3.93Å; I217-F249 HydrophobicContact CG1-CE2 3.65Å; I217-F249 HydrophobicContact CG1-CZ 4.46Å; I217-F249 HydrophobicContact CG2-CD2 3.91Å; I217-F249 HydrophobicContact CG2-CE2 4.1Å; I217-F249 HydrophobicContact CG2-CG 4.2Å; E247-F249 PolarHBondContact O-N 3.23Å; F249-D251 HydrophobicContact CE1-CB 4.32Å
250	V	86.3	Confident	90.8	Very high	19 Å²	19	29.1 Å²	29.1	12%	0.115	16%	0.156	C	C	.	.			trans	-90.5	115.8	173	-177.1	0	0	0	0	108	K248 P253 I324 D326 Y332	K248-V250 PolarHBondContact O-N 3.42Å; V250-P253 HydrophobicContact CB-CB 4.36Å; V250-P253 HydrophobicContact CG1-CB 4.08Å; V250-P253 WeakPolarHBondContact O-CD 3.41Å; V250-I324 HydrophobicContact CB-CG2 3.85Å; V250-I324 HydrophobicContact CG1-CG2 3.84Å; V250-I324 HydrophobicContact CG2-CG2 3.96Å; V250-D326 HydrophobicContact CG1-CB 3.71Å; V250-Y332 HydrophobicContact CG2-CD2 4.26Å; V250-Y332 HydrophobicContact CG2-CE2 4.43Å
251	D	82.4	Confident	91.6	Very high	109 Å²	109	23.2 Å²	23.2	58%	0.583	12%	0.124	S	C	*	.	S	Bend	trans	-76.7	139	-179.8	-168.4	25.6	0	0	0	111.5	F249	F249-D251 HydrophobicContact CE1-CB 4.32Å
252	T	85.8	Confident	92.4	Very high	65 Å²	65	21.7 Å²	21.7	40%	0.399	12%	0.116	S	C	.	.	S	Bend	trans	45.3	57.4	-176.7	-45.8	0	0	0	0	113.2	H485	T252-H485 HydrophobicContact CG2-CB 3.65Å
253	P	92.6	Very high	93	Very high	16 Å²	16	18 Å²	18	10%	0.104	10%	0.096	C	C	.	.			trans	-75.6	143.7	-170.8	28	-29	0	0	0	112	V250 I324 H485 T486	V250-P253 HydrophobicContact CB-CB 4.36Å; V250-P253 HydrophobicContact CG1-CB 4.08Å; V250-P253 WeakPolarHBondContact O-CD 3.41Å; P253-I324 HydrophobicContact CB-CG2 3.51Å; P253-H485 CarbonylContact O-C 3.57Å; P253-H485 WeakPolarHBondContact O-CA 3.48Å; P253-H485 WeakPolarHBondContact O-CB 3.38Å; P253-T486 HydrophobicContact CG-CG2 4.48Å; P253-T486 WeakPolarHBondContact CG-OG1 3.35Å; P253-T486 PolarHBondContact O-N 2.92Å
254	R	95.6	Very high	93.4	Very high	23 Å²	23	22.5 Å²	22.5	9%	0.087	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.8	162.8	-74.1	173.9	66.8	-177.3	4.6	109.9	V256 D275 S277 P292 M325 V484	R254-V256 HydrophobicContact CB-CG2 3.99Å; R254-V256 PolarHBondContact O-N 3.23Å; R254-D275 IonicContact CZ-OD2 3.82Å; R254-D275 IonicContact NE-OD2 3.16Å; R254-D275 PolarHBondContact NE-OD2 3.27Å; R254-D275 IonicContact NH2-OD2 3.75Å; R254-D275 PolarHBondContact NH2-OD2 3.31Å; R254-S277 VanDerWaalsContact CA-OG 3.25Å; R254-S277 WeakPolarHBondContact CA-OG 3.3Å; R254-S277 WeakPolarHBondContact CB-OG 3.34Å; R254-P292 VanDerWaalsContact CZ-O 3.26Å; R254-P292 PolarHBondContact NH1-O 3.05Å; R254-P292 VanDerWaalsContact NH2-CD 3.26Å; R254-P292 PolarHBondContact NH2-O 3.34Å; R254-M325 HydrophobicContact CB-CB 4.25Å; R254-M325 PolarHBondContact N-O 3.35Å; R254-M325 PolarHBondContact O-N 3.39Å; R254-V484 WeakPolarHBondContact CG-O 3.47Å
255	H	96.5	Very high	93.7	Very high	13 Å²	13	27 Å²	27	6%	0.06	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	100.4	170.4	-171.4	163.9	0	0	0	107.6	C276 S277 E322 M334 T486	H255-C276 PolarHBondContact O-N 2.94Å; H255-S277 PolarHBondContact N-OG 3.22Å; H255-E322 IonicContact CE1-OE1 2.76Å; H255-E322 IonicContact CE1-OE2 3.47Å; H255-E322 PolarHBondContact CE1-OE2 2.67Å; H255-E322 VanDerWaalsContact CE1-OE2 3.24Å; H255-E322 IonicContact NE2-OE1 4Å; H255-E322 IonicContact NE2-OE2 2.62Å; H255-E322 PolarHBondContact NE2-OE2 2.58Å; H255-E322 VanDerWaalsContact NE2-OE2 3.1Å; H255-M334 WeakPolarHBondContact NE2-CE 3.49Å; H255-T486 HydrophobicContact CB-CG2 4.06Å
256	V	97.7	Very high	94	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	-179.9	-177.4	0	0	0	0	108.8	R254 E273 R274 A291 I294 L302 F323 M325	R254-V256 HydrophobicContact CB-CG2 3.99Å; R254-V256 PolarHBondContact O-N 3.23Å; V256-E273 HydrophobicContact CG1-CB 3.85Å; V256-E273 HydrophobicContact CG1-CG 3.77Å; V256-R274 WeakPolarHBondContact CA-O 3.33Å; V256-A291 HydrophobicContact CG1-CB 4.3Å; V256-I294 HydrophobicContact CG1-CD1 4.18Å; V256-I294 HydrophobicContact CG2-CD1 4.44Å; V256-L302 HydrophobicContact CG1-CD2 3.72Å; V256-F323 PolarHBondContact N-O 2.82Å; V256-F323 CarbonylContact O-C 3.5Å; V256-F323 VanDerWaalsContact O-CA 3.31Å; V256-F323 WeakPolarHBondContact O-CA 3.49Å; V256-F323 WeakPolarHBondContact O-CB 3.44Å; V256-F323 PolarHBondContact O-N 2.94Å; V256-M325 HydrophobicContact CG2-CB 4.02Å; V256-M325 HydrophobicContact CG2-CE 4.49Å; V256-M325 HydrophobicContact CG2-SD 4.23Å
257	E	98.2	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.9	-175.2	63.1	175.6	-149.9	0	0	111.6	E273 R274 C276 K284 T320 V321 E322 E343	E257-E273 CarbonylContact O-C 3.59Å; E257-E273 WeakPolarHBondContact O-CA 3.08Å; E257-E273 WeakPolarHBondContact O-CB 3.36Å; E257-R274 HydrophobicContact CG-CB 3.87Å; E257-R274 PolarHBondContact N-O 2.84Å; E257-R274 PolarHBondContact O-N 3.17Å; E257-R274 IonicContact OE1-CZ 3.39Å; E257-R274 IonicContact OE1-NE 3.14Å; E257-R274 PolarHBondContact OE1-NE 2.78Å; E257-R274 IonicContact OE1-NH2 2.73Å; E257-R274 PolarHBondContact OE1-NH2 3.37Å; E257-C276 VanDerWaalsContact CD-SG 3.56Å; E257-K284 IonicContact OE1-NZ 3.25Å; E257-K284 IonicContact OE2-NZ 3.55Å; E257-K284 PolarHBondContact OE2-NZ 3.31Å; E257-T320 HydrophobicContact CB-CG2 3.59Å; E257-T320 HydrophobicContact CG-CG2 3.93Å; E257-V321 CarbonylContact C-O 3.57Å; E257-V321 WeakPolarHBondContact CA-O 3.47Å; E257-E322 HydrophobicContact CB-CB 4.42Å; E257-E322 HydrophobicContact CB-CG 3.98Å; E257-E343 WeakPolarHBondContact OE1-CG 3.08Å
258	V	98.8	Very high	94.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	-178	-179.1	0	0	0	0	110.2	V260 Y270 E273 L302 A306 T320 V321 F323	V258-V260 HydrophobicContact CG1-CG1 4.25Å; V258-V260 PolarHBondContact O-N 2.84Å; V258-Y270 HydrophobicContact CG1-CG 4.43Å; V258-E273 HydrophobicContact CG2-CB 4.13Å; V258-L302 HydrophobicContact CG2-CD1 4.43Å; V258-L302 HydrophobicContact CG2-CD2 3.79Å; V258-L302 HydrophobicContact CG2-CG 3.59Å; V258-A306 HydrophobicContact CB-CB 3.61Å; V258-A306 HydrophobicContact CG1-CB 3.52Å; V258-A306 HydrophobicContact CG2-CB 4.11Å; V258-T320 WeakPolarHBondContact O-CA 3.45Å; V258-V321 PolarHBondContact N-O 2.66Å; V258-V321 PolarHBondContact O-N 2.62Å; V258-F323 HydrophobicContact CB-CE2 4.46Å; V258-F323 HydrophobicContact CG2-CD2 4.25Å; V258-F323 HydrophobicContact CG2-CE2 3.96Å
259	Q	98.8	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126	169.1	-175.6	59.8	56.5	0	0	109.6	Y270 L271 F272 G319 T347 L355	Q259-Y270 CarbonylContact O-C 3.55Å; Q259-Y270 WeakPolarHBondContact O-CA 3.23Å; Q259-L271 HydrophobicContact CB-CB 4Å; Q259-L271 HydrophobicContact CG-CB 3.98Å; Q259-L271 HydrophobicContact CG-CD1 3.81Å; Q259-L271 HydrophobicContact CG-CG 4.48Å; Q259-L271 PolarHBondContact O-N 3.01Å; Q259-F272 PolarHBondContact N-O 3.34Å; Q259-G319 PolarHBondContact NE2-O 2.88Å; Q259-T347 HydrophobicContact CB-CG2 4.02Å; Q259-T347 HydrophobicContact CG-CG2 4.07Å; Q259-L355 HydrophobicContact CG-CD1 3.77Å
260	V	98.6	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.7	172.1	-64.8	0	0	0	0	111.3	V258 V269 A306 A310 G319 V321 M336	V258-V260 HydrophobicContact CG1-CG1 4.25Å; V258-V260 PolarHBondContact O-N 2.84Å; V260-V269 WeakPolarHBondContact CA-O 3.49Å; V260-A306 HydrophobicContact CG1-CB 3.58Å; V260-A310 HydrophobicContact CB-CB 4.36Å; V260-A310 HydrophobicContact CG2-CB 4.2Å; V260-G319 WeakPolarHBondContact CG2-O 3.21Å; V260-G319 PolarHBondContact N-O 2.9Å; V260-G319 PolarHBondContact O-N 2.7Å; V260-V321 HydrophobicContact CG1-CG2 4.2Å; V260-V321 HydrophobicContact CG2-CG2 4.14Å; V260-M336 HydrophobicContact CG2-CE 3.82Å
261	F	98.3	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.1	170.3	-118.2	-79.3	0	0	0	109.6	A268 V269 L271 G317 A318 L355 W358 Q359 I362 I368	F261-A268 CarbonylContact O-C 3.43Å; F261-A268 WeakPolarHBondContact O-CA 3.29Å; F261-V269 HydrophobicContact CB-CG2 4.03Å; F261-V269 PolarHBondContact N-O 3.29Å; F261-V269 PolarHBondContact O-N 3.44Å; F261-L271 HydrophobicContact CB-CD1 4.29Å; F261-L271 HydrophobicContact CD2-CD1 4.08Å; F261-G317 WeakPolarHBondContact CA-O 3.34Å; F261-G317 WeakPolarHBondContact CD1-O 3.38Å; F261-G317 VanDerWaalsContact CE1-C 3.49Å; F261-A318 HydrophobicContact CD2-CB 4.27Å; F261-A318 HydrophobicContact CE2-CB 3.69Å; F261-A318 HydrophobicContact CZ-CB 3.84Å; F261-L355 HydrophobicContact CE2-CB 4.1Å; F261-L355 HydrophobicContact CE2-CD2 4.16Å; F261-L355 WeakPolarHBondContact CZ-O 3.31Å; F261-W358 HydrophobicContact CB-CE3 4.31Å; F261-W358 HydrophobicContact CB-CZ3 4.49Å; F261-W358 HydrophobicContact CD1-CB 4.46Å; F261-W358 HydrophobicContact CD1-CE3 4.37Å; F261-W358 AromaticContact CD2-CE3 3.82Å; F261-W358 HydrophobicContact CD2-CE3 3.82Å; F261-W358 HydrophobicContact CE1-CB 3.72Å; F261-W358 HydrophobicContact CE2-CB 3.84Å; F261-W358 HydrophobicContact CE2-CE3 4.15Å; F261-W358 AromaticContact CG-CE3 3.9Å; F261-W358 HydrophobicContact CG-CE3 3.9Å; F261-W358 HydrophobicContact CZ-CB 3.34Å; F261-W358 HydrophobicContact CZ-CG 4.48Å; F261-Q359 HydrophobicContact CE1-CG 4.2Å; F261-Q359 HydrophobicContact CZ-CB 4.35Å; F261-Q359 HydrophobicContact CZ-CG 3.6Å; F261-I362 HydrophobicContact CD1-CD1 3.3Å; F261-I362 HydrophobicContact CE1-CD1 3.49Å; F261-I362 VanDerWaalsContact CE1-CD1 3.49Å; F261-I362 HydrophobicContact CE1-CG1 4.5Å; F261-I362 HydrophobicContact CG-CD1 4.46Å; F261-I368 WeakPolarHBondContact O-CD1 3.24Å
262	G	98.2	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153	170.3	0	0	0	0	0	111.5	N267 Y315 V316 G317	G262-N267 WeakPolarHBondContact CA-O 3.26Å; G262-Y315 WeakPolarHBondContact CA-O 3.44Å; G262-V316 CarbonylContact O-C 3.56Å; G262-V316 WeakPolarHBondContact O-CA 3.29Å; G262-G317 PolarHBondContact N-O 3.23Å; G262-G317 VanDerWaalsContact N-O 3.1Å; G262-G317 PolarHBondContact O-N 3.05Å
263	D	97.8	Very high	97.5	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.125	C	C	.	.			trans	-119.6	171.5	173.4	69.2	19.9	0	0	0	113.4	H265 G266 N267 I362 K367 I368	D263-H265 PolarHBondContact O-N 3.46Å; D263-H265 VanDerWaalsContact O-N 3.1Å; D263-H265 VanDerWaalsContact OD1-CA 3.28Å; D263-H265 WeakPolarHBondContact OD1-CA 3.46Å; D263-H265 WeakPolarHBondContact OD1-CB 3.32Å; D263-H265 PolarHBondContact OD1-N 2.71Å; D263-H265 IonicContact OD2-CD2 3.31Å; D263-G266 PolarHBondContact O-N 3.4Å; D263-G266 PolarHBondContact OD1-N 2.86Å; D263-N267 PolarHBondContact N-O 3Å; D263-N267 WeakPolarHBondContact OD1-CB 3.26Å; D263-N267 PolarHBondContact OD1-N 3.29Å; D263-N267 PolarHBondContact OD1-ND2 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.25Å; D263-N267 PolarHBondContact OD2-ND2 3.39Å; D263-I362 HydrophobicContact CB-CD1 4.16Å; D263-I362 HydrophobicContact CB-CG1 4.29Å; D263-I362 HydrophobicContact CB-CG2 4Å; D263-K367 VanDerWaalsContact OD2-CA 3.32Å; D263-K367 WeakPolarHBondContact OD2-CA 3.37Å; D263-I368 HydrophobicContact CB-CD1 4.48Å; D263-I368 HydrophobicContact CB-CG1 3.81Å; D263-I368 PolarHBondContact OD2-N 3.25Å
264	H	95.8	Very high	97.8	Very high	117 Å²	117	21.7 Å²	21.7	54%	0.542	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.5	176.1	-69.5	-65.1	0	0	0	114.3	I362	H264-I362 PolarHBondContact CD2-O 2.86Å; H264-I362 VanDerWaalsContact CD2-O 3.26Å
265	H	96.5	Very high	97.9	Very high	95 Å²	95	20.8 Å²	20.8	44%	0.44	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	7.6	-177.1	-54.1	-94.3	0	0	0	111.9	D263 N267 G365 K367	D263-H265 PolarHBondContact O-N 3.46Å; D263-H265 VanDerWaalsContact O-N 3.1Å; D263-H265 VanDerWaalsContact OD1-CA 3.28Å; D263-H265 WeakPolarHBondContact OD1-CA 3.46Å; D263-H265 WeakPolarHBondContact OD1-CB 3.32Å; D263-H265 PolarHBondContact OD1-N 2.71Å; D263-H265 IonicContact OD2-CD2 3.31Å; H265-N267 VanDerWaalsContact C-N 3.28Å; H265-N267 PolarHBondContact O-N 3.27Å; H265-G365 PolarHBondContact NE2-O 3.16Å; H265-K367 HydrophobicContact CB-CG 4.33Å; H265-K367 VanDerWaalsContact CD2-CG 3.47Å; H265-K367 WeakPolarHBondContact CD2-CG 3.29Å
266	G	95.3	Very high	97.9	Very high	56 Å²	56	20.1 Å²	20.1	58%	0.577	11%	0.114	S	C	*	.	S	Bend	trans	78.7	8.4	-179.9	0	0	0	0	0	114.1	D263	D263-G266 PolarHBondContact O-N 3.4Å; D263-G266 PolarHBondContact OD1-N 2.86Å
267	N	97.8	Very high	97.9	Very high	73 Å²	73	20.1 Å²	20.1	39%	0.39	11%	0.114	S	C	.	.			trans	-80.3	147.7	173.1	-51.9	-60.8	0	0	0	109.7	G262 D263 H265 I368	G262-N267 WeakPolarHBondContact CA-O 3.26Å; D263-N267 PolarHBondContact N-O 3Å; D263-N267 WeakPolarHBondContact OD1-CB 3.26Å; D263-N267 PolarHBondContact OD1-N 3.29Å; D263-N267 PolarHBondContact OD1-ND2 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.25Å; D263-N267 PolarHBondContact OD2-ND2 3.39Å; H265-N267 VanDerWaalsContact C-N 3.28Å; H265-N267 PolarHBondContact O-N 3.27Å; N267-I368 HydrophobicContact CB-CD1 3.96Å; N267-I368 HydrophobicContact CB-CG1 4.45Å
268	A	98.3	Very high	97.8	Very high	16 Å²	16	20.3 Å²	20.3	13%	0.132	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	141	170.2	0	0	0	0	0	110.7	F261 V307 A310 K311	F261-A268 CarbonylContact O-C 3.43Å; F261-A268 WeakPolarHBondContact O-CA 3.29Å; A268-V307 HydrophobicContact CB-CG1 4.05Å; A268-A310 HydrophobicContact CB-CB 4.37Å; A268-K311 HydrophobicContact CB-CG 3.92Å
269	V	98.7	Very high	97.6	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.055	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.4	178.2	-57.6	0	0	0	0	110.4	V260 F261 L271 W358 I368 I375	V260-V269 WeakPolarHBondContact CA-O 3.49Å; F261-V269 HydrophobicContact CB-CG2 4.03Å; F261-V269 PolarHBondContact N-O 3.29Å; F261-V269 PolarHBondContact O-N 3.44Å; V269-L271 HydrophobicContact CG2-CD1 4.38Å; V269-W358 HydrophobicContact CG2-CZ3 4.1Å; V269-I368 HydrophobicContact CG1-CD1 4.21Å; V269-I368 HydrophobicContact CG1-CG2 4.29Å; V269-I368 HydrophobicContact CG2-CD1 4.16Å; V269-I368 HydrophobicContact CG2-CG2 3.84Å; V269-I375 HydrophobicContact CB-CD1 3.86Å; V269-I375 HydrophobicContact CG1-CD1 4.41Å; V269-I375 HydrophobicContact CG2-CD1 3.72Å
270	Y	98.7	Very high	97.1	Very high	23 Å²	23	22.2 Å²	22.2	9%	0.09	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.2	169.2	68.9	-90.2	0	0	0	111.7	V258 Q259 F272 G303 V307 Q372	V258-Y270 HydrophobicContact CG1-CG 4.43Å; Q259-Y270 CarbonylContact O-C 3.55Å; Q259-Y270 WeakPolarHBondContact O-CA 3.23Å; Y270-F272 HydrophobicContact CE2-CD1 4.32Å; Y270-F272 HydrophobicContact CE2-CE1 4.48Å; Y270-G303 WeakPolarHBondContact CD1-O 3.39Å; Y270-G303 VanDerWaalsContact CG-CA 3.49Å; Y270-V307 HydrophobicContact CD1-CG2 3.72Å; Y270-V307 HydrophobicContact CG-CG2 4.37Å; Y270-Q372 HydrophobicContact CD1-CG 4.38Å; Y270-Q372 HydrophobicContact CE1-CG 3.87Å; Y270-Q372 VanDerWaalsContact CE1-OE1 3.29Å; Y270-Q372 PolarHBondContact O-NE2 2.88Å
271	L	98.6	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	55.5	179.3	-59.8	100.2	0	0	0	110.9	Q259 F261 V269 T347 T351 T353 L355 W358 I375	Q259-L271 HydrophobicContact CB-CB 4Å; Q259-L271 HydrophobicContact CG-CB 3.98Å; Q259-L271 HydrophobicContact CG-CD1 3.81Å; Q259-L271 HydrophobicContact CG-CG 4.48Å; Q259-L271 PolarHBondContact O-N 3.01Å; F261-L271 HydrophobicContact CB-CD1 4.29Å; F261-L271 HydrophobicContact CD2-CD1 4.08Å; V269-L271 HydrophobicContact CG2-CD1 4.38Å; L271-T347 HydrophobicContact CB-CG2 3.62Å; L271-T347 VanDerWaalsContact O-CG2 3.24Å; L271-T347 WeakPolarHBondContact O-CG2 3.31Å; L271-T351 HydrophobicContact CB-CG2 4.27Å; L271-T351 HydrophobicContact CD2-CG2 4.48Å; L271-T353 HydrophobicContact CD2-CG2 4.03Å; L271-L355 HydrophobicContact CD2-CD2 3.81Å; L271-W358 HydrophobicContact CD1-CZ3 4.23Å; L271-W358 HydrophobicContact CD2-CH2 4.09Å; L271-W358 HydrophobicContact CD2-CZ3 3.99Å; L271-I375 HydrophobicContact CG-CD1 4.33Å; L271-I375 HydrophobicContact CG-CG2 4.43Å
272	F	98.4	Very high	95.6	Very high	23 Å²	23	34.3 Å²	34.3	10%	0.101	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	-178.1	-176.4	-54	-71.5	0	0	0	114.2	Q259 Y270 R299 I350 T351 I375 L377	Q259-F272 PolarHBondContact N-O 3.34Å; Y270-F272 HydrophobicContact CE2-CD1 4.32Å; Y270-F272 HydrophobicContact CE2-CE1 4.48Å; F272-R299 HydrophobicContact CD1-CG 4.33Å; F272-I350 HydrophobicContact CB-CD1 4.18Å; F272-I350 HydrophobicContact CD2-CD1 4.49Å; F272-T351 HydrophobicContact CD2-CG2 3.83Å; F272-T351 HydrophobicContact CE2-CG2 4.15Å; F272-I375 HydrophobicContact CD2-CG2 4.44Å; F272-I375 HydrophobicContact CE2-CG2 3.82Å; F272-I375 HydrophobicContact CZ-CG2 4.47Å; F272-I375 WeakPolarHBondContact CZ-O 3.24Å; F272-L377 HydrophobicContact CB-CD1 4.49Å; F272-L377 HydrophobicContact CD1-CB 4.34Å; F272-L377 HydrophobicContact CD1-CD2 4.49Å; F272-L377 HydrophobicContact CD2-CB 4.07Å; F272-L377 HydrophobicContact CD2-CD1 3.94Å; F272-L377 HydrophobicContact CE1-CB 3.9Å; F272-L377 HydrophobicContact CE2-CB 3.62Å; F272-L377 HydrophobicContact CE2-CD1 4.34Å; F272-L377 HydrophobicContact CG-CB 4.42Å; F272-L377 HydrophobicContact CG-CD1 4.04Å; F272-L377 HydrophobicContact CZ-CB 3.53Å
273	E	98.3	Very high	95.1	Very high	3 Å²	3	36 Å²	36	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.5	-177.3	82.5	-65	170.2	0	0	113	V256 E257 V258 P290 A291 I294 R299 L302	V256-E273 HydrophobicContact CG1-CB 3.85Å; V256-E273 HydrophobicContact CG1-CG 3.77Å; E257-E273 CarbonylContact O-C 3.59Å; E257-E273 WeakPolarHBondContact O-CA 3.08Å; E257-E273 WeakPolarHBondContact O-CB 3.36Å; V258-E273 HydrophobicContact CG2-CB 4.13Å; E273-P290 WeakPolarHBondContact OE1-CB 3.36Å; E273-A291 HydrophobicContact CG-CB 3.59Å; E273-A291 PolarHBondContact OE1-N 2.96Å; E273-I294 HydrophobicContact CG-CD1 4.23Å; E273-R299 IonicContact OE1-CZ 3.1Å; E273-R299 IonicContact OE1-NE 3.77Å; E273-R299 PolarHBondContact OE1-NE 3.2Å; E273-R299 IonicContact OE1-NH2 2.67Å; E273-R299 PolarHBondContact OE1-NH2 2.83Å; E273-R299 VanDerWaalsContact OE2-CD 3.26Å; E273-R299 WeakPolarHBondContact OE2-CD 3.31Å; E273-R299 VanDerWaalsContact OE2-CG 3.25Å; E273-R299 WeakPolarHBondContact OE2-CG 3.45Å; E273-R299 IonicContact OE2-CZ 3.41Å; E273-R299 IonicContact OE2-NE 3.29Å; E273-R299 PolarHBondContact OE2-NE 3.17Å; E273-L302 HydrophobicContact CB-CD2 3.8Å; E273-L302 HydrophobicContact CG-CD2 4.15Å
274	R	98.6	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.4	170	-54.9	-177.6	-71.8	-94.8	-1.8	109	V256 E257 E288 A289 T320 E343 V346 T347	V256-R274 WeakPolarHBondContact CA-O 3.33Å; E257-R274 HydrophobicContact CG-CB 3.87Å; E257-R274 PolarHBondContact N-O 2.84Å; E257-R274 PolarHBondContact O-N 3.17Å; E257-R274 IonicContact OE1-CZ 3.39Å; E257-R274 IonicContact OE1-NE 3.14Å; E257-R274 PolarHBondContact OE1-NE 2.78Å; E257-R274 IonicContact OE1-NH2 2.73Å; E257-R274 PolarHBondContact OE1-NH2 3.37Å; R274-E288 CarbonylContact C-O 3.47Å; R274-E288 VanDerWaalsContact CA-O 3.25Å; R274-E288 WeakPolarHBondContact CA-O 3.45Å; R274-A289 HydrophobicContact CG-CB 4.05Å; R274-T320 VanDerWaalsContact NH2-CG2 3.29Å; R274-T320 PolarHBondContact NH2-OG1 3.08Å; R274-E343 WeakPolarHBondContact CD-O 3.49Å; R274-V346 HydrophobicContact CB-CG2 4.48Å; R274-V346 HydrophobicContact CG-CG2 3.78Å; R274-T347 WeakPolarHBondContact CD-OG1 3.49Å; R274-T347 PolarHBondContact NH1-OG1 2.98Å
275	D	98.2	Very high	95	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.7	167.4	-163	-47.7	0	0	0	109.3	R254 S277 E287 E288 A291	R254-D275 IonicContact CZ-OD2 3.82Å; R254-D275 IonicContact NE-OD2 3.16Å; R254-D275 PolarHBondContact NE-OD2 3.27Å; R254-D275 IonicContact NH2-OD2 3.75Å; R254-D275 PolarHBondContact NH2-OD2 3.31Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 3.32Å; D275-S277 PolarHBondContact OD1-OG 3.29Å; D275-E287 WeakPolarHBondContact O-CA 3.23Å; D275-E288 HydrophobicContact CB-CG 3.93Å; D275-E288 PolarHBondContact N-O 2.86Å; D275-E288 PolarHBondContact O-N 2.66Å; D275-A291 HydrophobicContact CB-CB 3.77Å
276	C	97.3	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	22.7	-180	-58.9	0	0	0	0	111.2	H255 E257 V278 K284 E287	H255-C276 PolarHBondContact O-N 2.94Å; E257-C276 VanDerWaalsContact CD-SG 3.56Å; C276-V278 PolarHBondContact O-N 2.92Å; C276-K284 HydrophobicContact CB-CD 3.67Å; C276-K284 HydrophobicContact CB-CG 4.08Å; C276-E287 HydrophobicContact CB-CG 4.34Å
277	S	96.8	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-31.1	-174.7	-58.2	0	0	0	0	112.3	R254 H255 D275 Q279 T486	R254-S277 VanDerWaalsContact CA-OG 3.25Å; R254-S277 WeakPolarHBondContact CA-OG 3.3Å; R254-S277 WeakPolarHBondContact CB-OG 3.34Å; H255-S277 PolarHBondContact N-OG 3.22Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 3.32Å; D275-S277 PolarHBondContact OD1-OG 3.29Å; S277-Q279 PolarHBondContact O-N 3.41Å; S277-T486 VanDerWaalsContact O-CA 3.31Å; S277-T486 WeakPolarHBondContact O-CA 3.26Å
278	V	96.5	Very high	95.3	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	92.8	-178.5	-176.5	0	0	0	0	110.4	C276 I285 L473 F479 V484 F488 I489	C276-V278 PolarHBondContact O-N 2.92Å; V278-I285 PolarHBondContact O-N 2.93Å; V278-L473 HydrophobicContact CG1-CD1 3.53Å; V278-L473 HydrophobicContact CG1-CD2 4.04Å; V278-L473 HydrophobicContact CG1-CG 4.24Å; V278-F479 HydrophobicContact CG2-CD2 3.97Å; V278-F479 HydrophobicContact CG2-CE2 3.78Å; V278-V484 HydrophobicContact CG2-CB 4.03Å; V278-V484 HydrophobicContact CG2-CG1 3.77Å; V278-F488 HydrophobicContact CG1-CD1 4.41Å; V278-F488 HydrophobicContact CG2-CD1 4.42Å; V278-F488 HydrophobicContact CG2-CG 4.45Å; V278-I489 HydrophobicContact CG1-CD1 3.83Å; V278-I489 HydrophobicContact CG1-CG1 4.02Å
279	Q	93.9	Very high	95.3	Very high	22 Å²	22	20.1 Å²	20.1	10%	0.103	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.3	-175.5	65.1	-176	6.4	0	0	112.2	S277 Q283	S277-Q279 PolarHBondContact O-N 3.41Å; Q279-Q283 CarbonylContact C-O 3.41Å; Q279-Q283 WeakPolarHBondContact CA-O 3.45Å; Q279-Q283 VanDerWaalsContact CB-O 3.29Å; Q279-Q283 WeakPolarHBondContact CB-O 3.31Å
280	R	89.5	Confident	95.3	Very high	20 Å²	20	20.4 Å²	20.4	8%	0.075	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.6	174.6	-175.7	-141.3	72.3	154.9	-17	109.4	H282 Q283 I285 F395 I489	R280-H282 PolarHBondContact O-N 3.37Å; R280-Q283 PolarHBondContact N-O 3.31Å; R280-Q283 WeakPolarHBondContact O-CB 3.45Å; R280-Q283 PolarHBondContact O-N 3.17Å; R280-I285 HydrophobicContact CB-CD1 4.15Å; R280-I285 HydrophobicContact CB-CG1 4.13Å; R280-F395 PolarHBondContact NH1-O 3.49Å; R280-I489 HydrophobicContact CB-CD1 4.3Å
281	R	82.1	Confident	95.2	Very high	153 Å²	153	19.4 Å²	19.4	58%	0.577	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	46.4	180	-61.1	-178.2	178.9	146.2	10.3	112.2	Q283 N394	R281-Q283 PolarHBondContact O-N 2.95Å; R281-N394 PolarHBondContact NH2-ND2 2.85Å; R281-N394 PolarHBondContact NH2-OD1 3.46Å
282	H	81.4	Confident	95.1	Very high	101 Å²	101	20.1 Å²	20.1	47%	0.468	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	8.7	-177	-42.5	-64.9	0	0	0	116.1	G211 R280	G211-H282 PolarHBondContact O-CD2 2.97Å; G211-H282 VanDerWaalsContact O-CD2 3.28Å; R280-H282 PolarHBondContact O-N 3.37Å
283	Q	88	Confident	94.8	Very high	36 Å²	36	22.1 Å²	22.1	17%	0.168	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.5	170.6	-172.3	178.4	0.2	0	0	109.5	Q279 R280 R281 Y387 E389	Q279-Q283 CarbonylContact C-O 3.41Å; Q279-Q283 WeakPolarHBondContact CA-O 3.45Å; Q279-Q283 VanDerWaalsContact CB-O 3.29Å; Q279-Q283 WeakPolarHBondContact CB-O 3.31Å; R280-Q283 PolarHBondContact N-O 3.31Å; R280-Q283 WeakPolarHBondContact O-CB 3.45Å; R280-Q283 PolarHBondContact O-N 3.17Å; R281-Q283 PolarHBondContact O-N 2.95Å; Q283-Y387 HydrophobicContact CG-CE2 4.47Å; Q283-E389 PolarHBondContact NE2-OE1 3.32Å
284	K	95.2	Very high	94.6	Very high	19 Å²	19	22.5 Å²	22.5	8%	0.083	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.9	177.3	-59.4	175.9	-179.8	178.5	0	109.8	E257 C276 E287 E322 E343 R385	E257-K284 IonicContact OE1-NZ 3.25Å; E257-K284 IonicContact OE2-NZ 3.55Å; E257-K284 PolarHBondContact OE2-NZ 3.31Å; C276-K284 HydrophobicContact CB-CD 3.67Å; C276-K284 HydrophobicContact CB-CG 4.08Å; K284-E287 HydrophobicContact CB-CG 4.4Å; K284-E287 VanDerWaalsContact CB-OE1 3.22Å; K284-E287 WeakPolarHBondContact CB-OE1 3.2Å; K284-E322 IonicContact NZ-OE1 3.69Å; K284-E322 PolarHBondContact NZ-OE1 2.68Å; K284-E343 WeakPolarHBondContact CD-OE1 3.28Å; K284-E343 WeakPolarHBondContact CE-OE1 3.44Å; K284-E343 IonicContact NZ-OE1 2.68Å; K284-E343 PolarHBondContact NZ-OE1 2.99Å; K284-R385 WeakPolarHBondContact O-CD 3.21Å
285	I	96.6	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-53.3	-173.3	-61.1	-61.6	0	0	0	111.6	V278 R280 R385 F469 L470 L473 I489	V278-I285 PolarHBondContact O-N 2.93Å; R280-I285 HydrophobicContact CB-CD1 4.15Å; R280-I285 HydrophobicContact CB-CG1 4.13Å; I285-R385 PolarHBondContact O-N 3.32Å; I285-R385 VanDerWaalsContact O-N 3.08Å; I285-F469 HydrophobicContact CG2-CE1 3.94Å; I285-L470 HydrophobicContact CG2-CD2 3.45Å; I285-L470 VanDerWaalsContact CG2-CD2 3.45Å; I285-L473 HydrophobicContact CG2-CD1 4.29Å; I285-I489 HydrophobicContact CB-CD1 4.41Å; I285-I489 HydrophobicContact CG1-CD1 3.93Å
286	I	98.1	Very high	94.4	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.2	172.2	-64.3	-174.2	0	0	0	108.1	F382 E383 A384 L451 L470 L473 F479	I286-F382 HydrophobicContact CG2-CD1 4.02Å; I286-E383 VanDerWaalsContact CA-O 3.29Å; I286-E383 WeakPolarHBondContact CA-O 3.42Å; I286-E383 WeakPolarHBondContact CG2-O 3.22Å; I286-A384 HydrophobicContact CG1-CB 4.25Å; I286-L451 HydrophobicContact CD1-CD2 4.36Å; I286-L470 HydrophobicContact CD1-CD2 3.92Å; I286-L470 HydrophobicContact CG1-CD2 3.66Å; I286-L473 HydrophobicContact CD1-CD2 3.76Å; I286-F479 HydrophobicContact CB-CZ 4.49Å; I286-F479 HydrophobicContact CD1-CZ 4.5Å; I286-F479 HydrophobicContact CG2-CE2 4.29Å; I286-F479 HydrophobicContact CG2-CZ 3.72Å
287	E	98.6	Very high	94.4	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	-117	146.9	176.7	-56.5	89.1	163.4	0	0	109.7	D275 C276 K284 E343 F382 E383 R385	D275-E287 WeakPolarHBondContact O-CA 3.23Å; C276-E287 HydrophobicContact CB-CG 4.34Å; K284-E287 HydrophobicContact CB-CG 4.4Å; K284-E287 VanDerWaalsContact CB-OE1 3.22Å; K284-E287 WeakPolarHBondContact CB-OE1 3.2Å; E287-E343 HydrophobicContact CB-CB 3.95Å; E287-E343 HydrophobicContact CG-CB 3.67Å; E287-E343 HydrophobicContact CG-CG 4.05Å; E287-F382 CarbonylContact O-C 3.55Å; E287-F382 WeakPolarHBondContact O-CA 3.4Å; E287-E383 PolarHBondContact N-O 3.45Å; E287-E383 PolarHBondContact O-N 3.19Å; E287-R385 IonicContact OE1-CZ 3.76Å; E287-R385 IonicContact OE1-NE 3.8Å; E287-R385 PolarHBondContact OE1-NE 2.82Å; E287-R385 IonicContact OE1-NH2 3.11Å; E287-R385 PolarHBondContact OE1-NH2 2.84Å
288	E	98.8	Very high	94.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.9	176.9	65.8	175.4	123.3	0	0	112.9	R274 D275 H380 A381 F382 R444	R274-E288 CarbonylContact C-O 3.47Å; R274-E288 VanDerWaalsContact CA-O 3.25Å; R274-E288 WeakPolarHBondContact CA-O 3.45Å; D275-E288 HydrophobicContact CB-CG 3.93Å; D275-E288 PolarHBondContact N-O 2.86Å; D275-E288 PolarHBondContact O-N 2.66Å; E288-H380 IonicContact OE2-CD2 2.63Å; E288-H380 IonicContact OE2-CE1 2.7Å; E288-H380 PolarHBondContact OE2-CE1 3.41Å; E288-H380 VanDerWaalsContact OE2-CE1 3.26Å; E288-H380 IonicContact OE2-NE2 3.24Å; E288-H380 PolarHBondContact OE2-NE2 3.26Å; E288-A381 VanDerWaalsContact CA-O 3.29Å; E288-A381 WeakPolarHBondContact CA-O 3.24Å; E288-F382 HydrophobicContact CB-CD1 3.5Å; E288-F382 HydrophobicContact CB-CE1 3.49Å; E288-F382 VanDerWaalsContact CB-CE1 3.49Å; E288-F382 HydrophobicContact CB-CG 4.32Å; E288-F382 HydrophobicContact CB-CZ 4.3Å; E288-F382 HydrophobicContact CG-CD1 4.5Å; E288-F382 HydrophobicContact CG-CE1 4.07Å; E288-F382 WeakPolarHBondContact OE2-CE1 3.35Å; E288-R444 IonicContact OE1-CZ 3.5Å; E288-R444 IonicContact OE1-NE 2.82Å; E288-R444 PolarHBondContact OE1-NE 3.28Å; E288-R444 IonicContact OE1-NH2 3.94Å; E288-R444 PolarHBondContact OE1-NH2 2.77Å; E288-R444 IonicContact OE2-CZ 2.67Å; E288-R444 IonicContact OE2-NE 3.86Å; E288-R444 PolarHBondContact OE2-NE 3.5Å; E288-R444 IonicContact OE2-NH2 2.81Å
289	A	98.7	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.2	175.8	0	0	0	0	0	110	R274 V346 I350 H380 A381	R274-A289 HydrophobicContact CG-CB 4.05Å; A289-V346 HydrophobicContact CB-CB 3.81Å; A289-V346 HydrophobicContact CB-CG2 3.69Å; A289-I350 HydrophobicContact CB-CD1 3.56Å; A289-I350 HydrophobicContact CB-CG1 4.29Å; A289-I350 HydrophobicContact CB-CG2 4.42Å; A289-I350 VanDerWaalsContact O-CG2 3.29Å; A289-I350 WeakPolarHBondContact O-CG2 3.33Å; A289-H380 CarbonylContact O-C 3.54Å; A289-H380 WeakPolarHBondContact O-CA 3.48Å; A289-A381 PolarHBondContact N-O 3.11Å; A289-A381 PolarHBondContact O-N 3Å
290	P	98.4	Very high	94.6	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.091	24%	0.243	C	C	.	.	S	Bend	cis	-68.3	169.8	-9.5	32.7	-37.9	0	0	0	112.3	E273 L377 H380	E273-P290 WeakPolarHBondContact OE1-CB 3.36Å; P290-L377 HydrophobicContact CB-CD1 4.14Å; P290-L377 HydrophobicContact CB-CD2 4.24Å; P290-L377 HydrophobicContact CG-CD1 4.15Å; P290-L377 HydrophobicContact CG-CD2 4.18Å; P290-H380 PolarHBondContact O-CE1 2.76Å
291	A	97.3	Very high	95	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-69.2	135.9	177.1	0	0	0	0	0	111.4	V256 E273 D275 I294 R299	V256-A291 HydrophobicContact CG1-CB 4.3Å; E273-A291 HydrophobicContact CG-CB 3.59Å; E273-A291 PolarHBondContact OE1-N 2.96Å; D275-A291 HydrophobicContact CB-CB 3.77Å; A291-I294 HydrophobicContact CB-CD1 3.51Å; A291-I294 HydrophobicContact CB-CG1 4.09Å; A291-R299 PolarHBondContact O-NH2 2.88Å
292	P	95.8	Very high	95.8	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	145.9	-174.7	25.1	-33.8	0	0	0	112.2	R254 I294 V484	R254-P292 VanDerWaalsContact CZ-O 3.26Å; R254-P292 PolarHBondContact NH1-O 3.05Å; R254-P292 VanDerWaalsContact NH2-CD 3.26Å; R254-P292 PolarHBondContact NH2-O 3.34Å; P292-I294 PolarHBondContact O-N 2.85Å; P292-I294 VanDerWaalsContact O-N 3.11Å; P292-V484 HydrophobicContact CG-CG2 4.43Å
293	G	92.8	Very high	96.6	Very high	65 Å²	65	41.1 Å²	41.1	67%	0.67	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	-5.2	173.9	0	0	0	0	0	116.5	K295 H329	G293-K295 PolarHBondContact O-N 2.9Å; G293-H329 PolarHBondContact O-CE1 3.36Å
294	I	95	Very high	97.1	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	23%	0.226	C	C	.	.			trans	-78.7	122.2	179.7	-55.8	-171.2	0	0	0	111.1	V256 E273 A291 P292 V298 R299 M325	V256-I294 HydrophobicContact CG1-CD1 4.18Å; V256-I294 HydrophobicContact CG2-CD1 4.44Å; E273-I294 HydrophobicContact CG-CD1 4.23Å; A291-I294 HydrophobicContact CB-CD1 3.51Å; A291-I294 HydrophobicContact CB-CG1 4.09Å; P292-I294 PolarHBondContact O-N 2.85Å; P292-I294 VanDerWaalsContact O-N 3.11Å; I294-V298 HydrophobicContact CG2-CB 3.95Å; I294-V298 HydrophobicContact CG2-CG1 3.99Å; I294-R299 HydrophobicContact CG2-CB 4.05Å; I294-R299 PolarHBondContact O-NH1 2.64Å; I294-R299 VanDerWaalsContact O-NH1 3.13Å; I294-R299 PolarHBondContact O-NH2 3.48Å; I294-M325 HydrophobicContact CD1-CE 3.83Å; I294-M325 HydrophobicContact CD1-SD 3.7Å; I294-M325 HydrophobicContact CG1-SD 4.17Å
295	K	95.3	Very high	97.2	Very high	145 Å²	145	42.2 Å²	42.2	63%	0.63	22%	0.222	S	C	*	.			trans	-66.1	146	175.6	-65.7	-177.5	-178.6	177.8	0	111.2	G293 E297 V298 R299	G293-K295 PolarHBondContact O-N 2.9Å; K295-E297 PolarHBondContact O-N 2.82Å; K295-E297 VanDerWaalsContact O-N 3.12Å; K295-V298 HydrophobicContact CB-CG2 4.43Å; K295-V298 PolarHBondContact O-N 2.64Å; K295-R299 PolarHBondContact O-N 3.25Å
296	P	96.1	Very high	97.3	Very high	101 Å²	101	42.2 Å²	42.2	66%	0.656	22%	0.222	S	C	*	.	H	α-helix	trans	-53	-36.7	-179.6	-28.6	35.5	0	0	0	114.9	R299 K300	P296-R299 PolarHBondContact O-N 2.79Å; P296-K300 WeakPolarHBondContact O-CB 3.48Å; P296-K300 PolarHBondContact O-N 3.21Å
297	E	97.1	Very high	97.3	Very high	148 Å²	148	42.9 Å²	42.9	69%	0.692	23%	0.226	S	C	*	.	H	α-helix	trans	-66	-42.1	178	-65	174.8	-163	0	0	112.8	K295 K300 K301	K295-E297 PolarHBondContact O-N 2.82Å; K295-E297 VanDerWaalsContact O-N 3.12Å; E297-K300 PolarHBondContact O-N 2.83Å; E297-K301 WeakPolarHBondContact O-CG 3.32Å; E297-K301 PolarHBondContact O-N 2.8Å
298	V	96.9	Very high	97.3	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-42.9	177.1	178.4	0	0	0	0	109.7	I294 K295 K300 K301 L302 M325 H329 F331	I294-V298 HydrophobicContact CG2-CB 3.95Å; I294-V298 HydrophobicContact CG2-CG1 3.99Å; K295-V298 HydrophobicContact CB-CG2 4.43Å; K295-V298 PolarHBondContact O-N 2.64Å; V298-K300 VanDerWaalsContact C-N 3.32Å; V298-K300 PolarHBondContact O-N 2.86Å; V298-K301 PolarHBondContact O-N 2.97Å; V298-K301 VanDerWaalsContact O-N 3.17Å; V298-L302 WeakPolarHBondContact O-CB 3.5Å; V298-L302 PolarHBondContact O-N 2.86Å; V298-M325 HydrophobicContact CG1-CE 4.39Å; V298-H329 HydrophobicContact CG1-CB 4.11Å; V298-F331 HydrophobicContact CG1-CD1 4.46Å
299	R	97.5	Very high	97.3	Very high	30 Å²	30	47.3 Å²	47.3	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-45.6	174.3	174.8	172.4	-65.6	110.1	6.1	112	F272 E273 A291 I294 K295 P296 L302 G303	F272-R299 HydrophobicContact CD1-CG 4.33Å; E273-R299 IonicContact OE1-CZ 3.1Å; E273-R299 IonicContact OE1-NE 3.77Å; E273-R299 PolarHBondContact OE1-NE 3.2Å; E273-R299 IonicContact OE1-NH2 2.67Å; E273-R299 PolarHBondContact OE1-NH2 2.83Å; E273-R299 VanDerWaalsContact OE2-CD 3.26Å; E273-R299 WeakPolarHBondContact OE2-CD 3.31Å; E273-R299 VanDerWaalsContact OE2-CG 3.25Å; E273-R299 WeakPolarHBondContact OE2-CG 3.45Å; E273-R299 IonicContact OE2-CZ 3.41Å; E273-R299 IonicContact OE2-NE 3.29Å; E273-R299 PolarHBondContact OE2-NE 3.17Å; A291-R299 PolarHBondContact O-NH2 2.88Å; I294-R299 HydrophobicContact CG2-CB 4.05Å; I294-R299 PolarHBondContact O-NH1 2.64Å; I294-R299 VanDerWaalsContact O-NH1 3.13Å; I294-R299 PolarHBondContact O-NH2 3.48Å; K295-R299 PolarHBondContact O-N 3.25Å; P296-R299 PolarHBondContact O-N 2.79Å; R299-L302 PolarHBondContact O-N 3.31Å; R299-G303 PolarHBondContact O-N 3.03Å
300	K	97.9	Very high	97.2	Very high	115 Å²	115	47.3 Å²	47.3	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-47.6	175.6	-179.1	174.3	173	177.3	0	111.6	P296 E297 V298 L302 G303 E304	P296-K300 WeakPolarHBondContact O-CB 3.48Å; P296-K300 PolarHBondContact O-N 3.21Å; E297-K300 PolarHBondContact O-N 2.83Å; V298-K300 VanDerWaalsContact C-N 3.32Å; V298-K300 PolarHBondContact O-N 2.86Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 2.95Å; K300-G303 PolarHBondContact O-N 3.43Å; K300-E304 WeakPolarHBondContact CE-OE1 3.35Å; K300-E304 HydrophobicContact CG-CG 4.37Å; K300-E304 IonicContact NZ-OE1 2.81Å; K300-E304 WeakPolarHBondContact O-CB 3.18Å; K300-E304 VanDerWaalsContact O-CG 3.32Å; K300-E304 WeakPolarHBondContact O-CG 3.43Å; K300-E304 PolarHBondContact O-N 3.23Å
301	K	98.1	Very high	97.2	Very high	126 Å²	126	52 Å²	52	55%	0.548	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-41.3	177.4	-72.5	176.5	-178.2	179.5	0	112.4	E297 V298 A305 F331	E297-K301 WeakPolarHBondContact O-CG 3.32Å; E297-K301 PolarHBondContact O-N 2.8Å; V298-K301 PolarHBondContact O-N 2.97Å; V298-K301 VanDerWaalsContact O-N 3.17Å; K301-A305 WeakPolarHBondContact O-CB 3.19Å; K301-A305 PolarHBondContact O-N 2.89Å; K301-F331 HydrophobicContact CB-CE1 4.2Å; K301-F331 HydrophobicContact CB-CZ 4.14Å
302	L	97.8	Very high	97.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-48.5	177.2	-173.2	71.8	0	0	0	110.7	V256 V258 E273 V298 R299 K300 A305 A306 F323 M325 F331	V256-L302 HydrophobicContact CG1-CD2 3.72Å; V258-L302 HydrophobicContact CG2-CD1 4.43Å; V258-L302 HydrophobicContact CG2-CD2 3.79Å; V258-L302 HydrophobicContact CG2-CG 3.59Å; E273-L302 HydrophobicContact CB-CD2 3.8Å; E273-L302 HydrophobicContact CG-CD2 4.15Å; V298-L302 WeakPolarHBondContact O-CB 3.5Å; V298-L302 PolarHBondContact O-N 2.86Å; R299-L302 PolarHBondContact O-N 3.31Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 2.95Å; L302-A305 PolarHBondContact O-N 3.5Å; L302-A306 PolarHBondContact O-N 3.35Å; L302-F323 HydrophobicContact CD1-CB 4.18Å; L302-F323 HydrophobicContact CD1-CD1 4.1Å; L302-F323 HydrophobicContact CD1-CD2 3.54Å; L302-F323 HydrophobicContact CD1-CE1 4.38Å; L302-F323 HydrophobicContact CD1-CE2 3.84Å; L302-F323 HydrophobicContact CD1-CG 3.68Å; L302-F323 HydrophobicContact CD1-CZ 4.25Å; L302-F323 HydrophobicContact CG-CD2 4.33Å; L302-F323 HydrophobicContact CG-CE2 4.4Å; L302-M325 HydrophobicContact CD1-CE 4.39Å; L302-M325 HydrophobicContact CD2-CE 4.25Å; L302-F331 HydrophobicContact CB-CE1 4.32Å; L302-F331 HydrophobicContact CB-CZ 4.38Å; L302-F331 HydrophobicContact CD1-CB 3.92Å; L302-F331 HydrophobicContact CD1-CD1 3.94Å; L302-F331 HydrophobicContact CD1-CD2 3.5Å; L302-F331 HydrophobicContact CD1-CE1 4.32Å; L302-F331 HydrophobicContact CD1-CE2 3.92Å; L302-F331 HydrophobicContact CD1-CG 3.51Å; L302-F331 HydrophobicContact CD1-CZ 4.31Å
303	G	98.3	Very high	97.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-45.4	176.4	0	0	0	0	0	113.5	Y270 R299 K300 A305 A306 V307	Y270-G303 WeakPolarHBondContact CD1-O 3.39Å; Y270-G303 VanDerWaalsContact CG-CA 3.49Å; R299-G303 PolarHBondContact O-N 3.03Å; K300-G303 PolarHBondContact O-N 3.43Å; G303-A305 VanDerWaalsContact C-N 3.32Å; G303-A305 PolarHBondContact O-N 3.08Å; G303-A306 WeakPolarHBondContact O-CB 3.36Å; G303-A306 PolarHBondContact O-N 3.14Å; G303-V307 PolarHBondContact O-N 3.08Å
304	E	98.4	Very high	97.5	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-36.5	176.7	-72.6	173	169.9	0	0	112.3	K300 V307 R308	K300-E304 WeakPolarHBondContact CE-OE1 3.35Å; K300-E304 HydrophobicContact CG-CG 4.37Å; K300-E304 IonicContact NZ-OE1 2.81Å; K300-E304 WeakPolarHBondContact O-CB 3.18Å; K300-E304 VanDerWaalsContact O-CG 3.32Å; K300-E304 WeakPolarHBondContact O-CG 3.43Å; K300-E304 PolarHBondContact O-N 3.23Å; E304-V307 PolarHBondContact O-N 3.33Å; E304-R308 WeakPolarHBondContact O-CG 3.3Å; E304-R308 PolarHBondContact O-N 3.15Å; E304-R308 PolarHBondContact O-NH1 2.95Å
305	A	98.4	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-42.2	173.3	0	0	0	0	0	111.4	V175 K301 L302 G303 V307 R308 A309 F323 F331	V175-A305 HydrophobicContact CG1-CB 4.49Å; V175-A305 WeakPolarHBondContact CG2-O 3.47Å; K301-A305 WeakPolarHBondContact O-CB 3.19Å; K301-A305 PolarHBondContact O-N 2.89Å; L302-A305 PolarHBondContact O-N 3.5Å; G303-A305 VanDerWaalsContact C-N 3.32Å; G303-A305 PolarHBondContact O-N 3.08Å; A305-V307 PolarHBondContact O-N 3.32Å; A305-R308 PolarHBondContact O-N 3.05Å; A305-A309 PolarHBondContact O-N 3.26Å; A305-F323 HydrophobicContact CB-CZ 4.24Å; A305-F331 HydrophobicContact CB-CE2 3.92Å; A305-F331 HydrophobicContact CB-CZ 4.42Å
306	A	98.5	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-38.3	175.8	0	0	0	0	0	112.6	V258 V260 L302 G303 A309 A310 V321 F323	V258-A306 HydrophobicContact CB-CB 3.61Å; V258-A306 HydrophobicContact CG1-CB 3.52Å; V258-A306 HydrophobicContact CG2-CB 4.11Å; V260-A306 HydrophobicContact CG1-CB 3.58Å; L302-A306 PolarHBondContact O-N 3.35Å; G303-A306 WeakPolarHBondContact O-CB 3.36Å; G303-A306 PolarHBondContact O-N 3.14Å; A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.71Å; A306-A310 PolarHBondContact O-N 2.95Å; A306-V321 HydrophobicContact CB-CB 3.96Å; A306-V321 HydrophobicContact CB-CG2 3.92Å; A306-F323 HydrophobicContact CB-CE2 4.21Å; A306-F323 HydrophobicContact CB-CZ 4.43Å
307	V	98.6	Very high	97.8	Very high	18 Å²	18	45 Å²	45	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-40.1	173.6	169.4	0	0	0	0	111.6	A268 Y270 G303 E304 A305 A309 A310 K311	A268-V307 HydrophobicContact CB-CG1 4.05Å; Y270-V307 HydrophobicContact CD1-CG2 3.72Å; Y270-V307 HydrophobicContact CG-CG2 4.37Å; G303-V307 PolarHBondContact O-N 3.08Å; E304-V307 PolarHBondContact O-N 3.33Å; A305-V307 PolarHBondContact O-N 3.32Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A310 PolarHBondContact O-N 2.84Å; V307-K311 HydrophobicContact CG1-CD 4.18Å; V307-K311 HydrophobicContact CG1-CG 4.47Å; V307-K311 WeakPolarHBondContact O-CB 3.47Å; V307-K311 WeakPolarHBondContact O-CG 3.45Å; V307-K311 PolarHBondContact O-N 2.75Å
308	R	98.4	Very high	97.8	Very high	96 Å²	96	38 Å²	38	36%	0.362	18%	0.183	S	C	.	.	H	α-helix	trans	-61.4	-43.1	173.1	-72.4	-167.3	-56.2	-81	6.7	111.4	G174 V175 E304 A305 K311 A312	G174-R308 PolarHBondContact O-NE 2.94Å; G174-R308 PolarHBondContact O-NH2 2.99Å; V175-R308 HydrophobicContact CG2-CB 4.23Å; E304-R308 WeakPolarHBondContact O-CG 3.3Å; E304-R308 PolarHBondContact O-N 3.15Å; E304-R308 PolarHBondContact O-NH1 2.95Å; A305-R308 PolarHBondContact O-N 3.05Å; R308-K311 PolarHBondContact O-N 3.13Å; R308-A312 WeakPolarHBondContact O-CB 3.28Å; R308-A312 PolarHBondContact O-N 3.12Å
309	A	97.8	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-50.8	174.8	0	0	0	0	0	111.7	M170 V175 A305 A306 V307 K311 A312 V321	M170-A309 HydrophobicContact CE-CB 4.12Å; M170-A309 VanDerWaalsContact SD-CA 3.58Å; M170-A309 HydrophobicContact SD-CB 3.31Å; M170-A309 WeakPolarHBondContact SD-CB 3.46Å; V175-A309 HydrophobicContact CG2-CB 4.06Å; A305-A309 PolarHBondContact O-N 3.26Å; A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.71Å; V307-A309 VanDerWaalsContact C-N 3.33Å; A309-K311 PolarHBondContact O-N 2.88Å; A309-A312 WeakPolarHBondContact O-CB 3.48Å; A309-A312 PolarHBondContact O-N 2.79Å; A309-V321 HydrophobicContact CB-CG1 4.22Å; A309-V321 HydrophobicContact CB-CG2 4.02Å
310	A	97.9	Very high	97.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-43.5	178.3	0	0	0	0	0	112.4	V260 A268 A306 V307 A312 V313 N314 Y315 M336	V260-A310 HydrophobicContact CB-CB 4.36Å; V260-A310 HydrophobicContact CG2-CB 4.2Å; A268-A310 HydrophobicContact CB-CB 4.37Å; A306-A310 PolarHBondContact O-N 2.95Å; V307-A310 PolarHBondContact O-N 2.84Å; A310-A312 VanDerWaalsContact C-N 3.35Å; A310-A312 PolarHBondContact O-N 3.34Å; A310-V313 WeakPolarHBondContact O-CG2 3.34Å; A310-V313 PolarHBondContact O-N 3.32Å; A310-N314 PolarHBondContact O-N 2.71Å; A310-Y315 WeakPolarHBondContact O-CB 3.37Å; A310-Y315 PolarHBondContact O-N 3.45Å; A310-M336 HydrophobicContact CB-CE 4.3Å
311	K	97.9	Very high	97.9	Very high	111 Å²	111	29.8 Å²	29.8	48%	0.483	15%	0.146	S	C	.	.	H	α-helix	trans	-65.9	-36.1	178.1	-74	-176.9	175.5	-175.1	0	112.7	A268 V307 R308 A309 V313 N314	A268-K311 HydrophobicContact CB-CG 3.92Å; V307-K311 HydrophobicContact CG1-CD 4.18Å; V307-K311 HydrophobicContact CG1-CG 4.47Å; V307-K311 WeakPolarHBondContact O-CB 3.47Å; V307-K311 WeakPolarHBondContact O-CG 3.45Å; V307-K311 PolarHBondContact O-N 2.75Å; R308-K311 PolarHBondContact O-N 3.13Å; A309-K311 PolarHBondContact O-N 2.88Å; K311-V313 PolarHBondContact O-N 2.81Å; K311-V313 VanDerWaalsContact O-N 3.16Å; K311-N314 PolarHBondContact O-N 3.03Å; K311-N314 VanDerWaalsContact O-N 3.13Å
312	A	97.5	Very high	97.9	Very high	42 Å²	42	24.1 Å²	24.1	35%	0.347	12%	0.121	S	C	.	.	H	α-helix	trans	-60.3	-26.2	-178.7	0	0	0	0	0	113.4	I169 A173 R308 A309 A310	I169-A312 HydrophobicContact CG2-CB 3.88Å; A173-A312 HydrophobicContact CB-CB 3.6Å; R308-A312 WeakPolarHBondContact O-CB 3.28Å; R308-A312 PolarHBondContact O-N 3.12Å; A309-A312 WeakPolarHBondContact O-CB 3.48Å; A309-A312 PolarHBondContact O-N 2.79Å; A310-A312 VanDerWaalsContact C-N 3.35Å; A310-A312 PolarHBondContact O-N 3.34Å
313	V	96.4	Very high	97.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	11.6	-179.6	-59.1	0	0	0	0	113.2	A156 D159 M160 I169 M170 A310 K311 Y315 M336	A156-V313 HydrophobicContact CB-CB 4.28Å; A156-V313 HydrophobicContact CB-CG2 4.22Å; D159-V313 HydrophobicContact CB-CG1 4.48Å; M160-V313 HydrophobicContact CE-CG1 3.48Å; M160-V313 VanDerWaalsContact CE-CG1 3.48Å; M160-V313 HydrophobicContact CG-CG1 4.46Å; M160-V313 HydrophobicContact SD-CG1 4.06Å; I169-V313 HydrophobicContact CG2-CG1 3.9Å; M170-V313 HydrophobicContact CE-CG1 4.14Å; A310-V313 WeakPolarHBondContact O-CG2 3.34Å; A310-V313 PolarHBondContact O-N 3.32Å; K311-V313 PolarHBondContact O-N 2.81Å; K311-V313 VanDerWaalsContact O-N 3.16Å; V313-Y315 HydrophobicContact CG2-CD2 3.91Å; V313-Y315 HydrophobicContact CG2-CG 4.4Å; V313-Y315 PolarHBondContact O-N 3Å; V313-M336 HydrophobicContact CG2-SD 4.44Å
314	N	96.9	Very high	97.6	Very high	127 Å²	127	25.4 Å²	25.4	68%	0.679	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	47.3	-174.7	-57.4	-62.4	0	0	0	112.1	A310 K311	A310-N314 PolarHBondContact O-N 2.71Å; K311-N314 PolarHBondContact O-N 3.03Å; K311-N314 VanDerWaalsContact O-N 3.13Å
315	Y	97.8	Very high	97.4	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.027	11%	0.11	C	C	.	.			trans	-64.6	145.1	-172.7	-158	-92.4	0	0	0	112.2	P152 A156 G262 A310 V313 A318 G319 M336 T338 R339	P152-Y315 HydrophobicContact CB-CD2 4Å; P152-Y315 HydrophobicContact CB-CE1 4.21Å; P152-Y315 HydrophobicContact CB-CE2 3.55Å; P152-Y315 HydrophobicContact CB-CG 4.49Å; P152-Y315 HydrophobicContact CG-CE2 3.86Å; A156-Y315 HydrophobicContact CB-CD2 4.13Å; G262-Y315 WeakPolarHBondContact CA-O 3.44Å; A310-Y315 WeakPolarHBondContact O-CB 3.37Å; A310-Y315 PolarHBondContact O-N 3.45Å; V313-Y315 HydrophobicContact CG2-CD2 3.91Å; V313-Y315 HydrophobicContact CG2-CG 4.4Å; V313-Y315 PolarHBondContact O-N 3Å; Y315-A318 WeakPolarHBondContact CE1-O 3.36Å; Y315-A318 PolarHBondContact OH-O 2.96Å; Y315-G319 VanDerWaalsContact OH-CA 3.26Å; Y315-G319 WeakPolarHBondContact OH-CA 3.47Å; Y315-M336 HydrophobicContact CD1-CE 3.95Å; Y315-M336 HydrophobicContact CD2-CE 3.32Å; Y315-M336 HydrophobicContact CD2-SD 4.07Å; Y315-M336 HydrophobicContact CE1-CE 4.06Å; Y315-M336 HydrophobicContact CE2-CE 3.45Å; Y315-M336 VanDerWaalsContact CE2-CE 3.45Å; Y315-M336 HydrophobicContact CE2-SD 4.23Å; Y315-M336 HydrophobicContact CG-CE 3.58Å; Y315-T338 HydrophobicContact CE2-CG2 3.86Å; Y315-T338 WeakPolarHBondContact OH-CA 3.3Å; Y315-T338 PolarHBondContact OH-O 3.13Å; Y315-R339 PolarHBondContact OH-N 3.06Å
316	V	97.9	Very high	97.2	Very high	12 Å²	12	22.8 Å²	22.8	7%	0.073	12%	0.116	C	C	.	.			trans	-132.8	144.2	177.6	-179.8	0	0	0	0	110.1	G151 P152 G262 I362	G151-V316 CarbonylContact C-O 3.54Å; P152-V316 WeakPolarHBondContact CA-O 3.14Å; G262-V316 CarbonylContact O-C 3.56Å; G262-V316 WeakPolarHBondContact O-CA 3.29Å; V316-I362 HydrophobicContact CG1-CG2 3.75Å
317	G	97.3	Very high	96.7	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-159.2	-178.5	0	0	0	0	0	112.1	F261 G262	F261-G317 WeakPolarHBondContact CA-O 3.34Å; F261-G317 WeakPolarHBondContact CD1-O 3.38Å; F261-G317 VanDerWaalsContact CE1-C 3.49Å; G262-G317 PolarHBondContact N-O 3.23Å; G262-G317 VanDerWaalsContact N-O 3.1Å; G262-G317 PolarHBondContact O-N 3.05Å
318	A	97.8	Very high	96.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.4	178.9	0	0	0	0	0	111	F261 Y315 R339 L340 Q359	F261-A318 HydrophobicContact CD2-CB 4.27Å; F261-A318 HydrophobicContact CE2-CB 3.69Å; F261-A318 HydrophobicContact CZ-CB 3.84Å; Y315-A318 WeakPolarHBondContact CE1-O 3.36Å; Y315-A318 PolarHBondContact OH-O 2.96Å; A318-R339 CarbonylContact O-C 3.32Å; A318-L340 HydrophobicContact CB-CD1 3.98Å; A318-Q359 HydrophobicContact CB-CG 3.81Å
319	G	97.8	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	164.6	172.8	0	0	0	0	0	110.8	Q259 V260 Y315	Q259-G319 PolarHBondContact NE2-O 2.88Å; V260-G319 WeakPolarHBondContact CG2-O 3.21Å; V260-G319 PolarHBondContact N-O 2.9Å; V260-G319 PolarHBondContact O-N 2.7Å; Y315-G319 VanDerWaalsContact OH-CA 3.26Å; Y315-G319 WeakPolarHBondContact OH-CA 3.47Å
320	T	98.3	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.3	174.6	-66.6	0	0	0	0	109.9	E257 V258 R274 E322 M336 N337 Q341	E257-T320 HydrophobicContact CB-CG2 3.59Å; E257-T320 HydrophobicContact CG-CG2 3.93Å; V258-T320 WeakPolarHBondContact O-CA 3.45Å; R274-T320 VanDerWaalsContact NH2-CG2 3.29Å; R274-T320 PolarHBondContact NH2-OG1 3.08Å; T320-E322 HydrophobicContact CG2-CG 4.19Å; T320-M336 CarbonylContact O-C 3.59Å; T320-M336 WeakPolarHBondContact O-CA 2.83Å; T320-N337 PolarHBondContact N-O 2.92Å; T320-N337 VanDerWaalsContact N-O 3.11Å; T320-N337 PolarHBondContact O-N 2.78Å; T320-Q341 HydrophobicContact CG2-CG 3.91Å; T320-Q341 WeakPolarHBondContact OG1-CG 3.22Å
321	V	98.3	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.9	174.1	-172.7	0	0	0	0	107.4	E257 V258 V260 A306 A309 F323 F333 M336	E257-V321 CarbonylContact C-O 3.57Å; E257-V321 WeakPolarHBondContact CA-O 3.47Å; V258-V321 PolarHBondContact N-O 2.66Å; V258-V321 PolarHBondContact O-N 2.62Å; V260-V321 HydrophobicContact CG1-CG2 4.2Å; V260-V321 HydrophobicContact CG2-CG2 4.14Å; A306-V321 HydrophobicContact CB-CB 3.96Å; A306-V321 HydrophobicContact CB-CG2 3.92Å; A309-V321 HydrophobicContact CB-CG1 4.22Å; A309-V321 HydrophobicContact CB-CG2 4.02Å; V321-F323 HydrophobicContact CB-CE2 3.89Å; V321-F323 HydrophobicContact CB-CZ 4.34Å; V321-F323 HydrophobicContact CG1-CD2 4.25Å; V321-F323 HydrophobicContact CG1-CE1 4.3Å; V321-F323 HydrophobicContact CG1-CE2 3.47Å; V321-F323 VanDerWaalsContact CG1-CE2 3.47Å; V321-F323 HydrophobicContact CG1-CZ 3.5Å; V321-F323 VanDerWaalsContact CG1-CZ 3.5Å; V321-F323 WeakPolarHBondContact O-CD2 3.33Å; V321-F333 HydrophobicContact CG1-CD2 3.71Å; V321-F333 HydrophobicContact CG1-CE2 3.89Å; V321-M336 HydrophobicContact CG2-CE 4.15Å; V321-M336 HydrophobicContact CG2-CG 4.16Å; V321-M336 HydrophobicContact CG2-SD 4.21Å
322	E	97.2	Very high	95.5	Very high	8 Å²	8	35 Å²	35	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133	-178.9	-61.8	-166.6	169.4	0	0	110.2	H255 E257 K284 T320 M334 E335 N337 Q341	H255-E322 IonicContact CE1-OE1 2.76Å; H255-E322 IonicContact CE1-OE2 3.47Å; H255-E322 PolarHBondContact CE1-OE2 2.67Å; H255-E322 VanDerWaalsContact CE1-OE2 3.24Å; H255-E322 IonicContact NE2-OE1 4Å; H255-E322 IonicContact NE2-OE2 2.62Å; H255-E322 PolarHBondContact NE2-OE2 2.58Å; H255-E322 VanDerWaalsContact NE2-OE2 3.1Å; E257-E322 HydrophobicContact CB-CB 4.42Å; E257-E322 HydrophobicContact CB-CG 3.98Å; K284-E322 IonicContact NZ-OE1 3.69Å; K284-E322 PolarHBondContact NZ-OE1 2.68Å; T320-E322 HydrophobicContact CG2-CG 4.19Å; E322-M334 HydrophobicContact CB-CE 3.85Å; E322-M334 WeakPolarHBondContact O-CB 3.32Å; E322-M334 PolarHBondContact O-N 2.83Å; E322-M334 WeakPolarHBondContact OE2-CE 3.38Å; E322-E335 HydrophobicContact CB-CG 4.3Å; E322-E335 PolarHBondContact N-O 2.85Å; E322-E335 PolarHBondContact O-N 2.95Å; E322-N337 PolarHBondContact OE1-ND2 3.04Å; E322-Q341 PolarHBondContact OE1-NE2 3.08Å
323	F	96.8	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.5	178.2	-62.4	-90.7	0	0	0	110.7	V175 V256 V258 L302 A305 A306 V321 F331 Y332 F333	V175-F323 HydrophobicContact CG1-CE1 3.99Å; V175-F323 HydrophobicContact CG1-CZ 4.43Å; V256-F323 PolarHBondContact N-O 2.82Å; V256-F323 CarbonylContact O-C 3.5Å; V256-F323 VanDerWaalsContact O-CA 3.31Å; V256-F323 WeakPolarHBondContact O-CA 3.49Å; V256-F323 WeakPolarHBondContact O-CB 3.44Å; V256-F323 PolarHBondContact O-N 2.94Å; V258-F323 HydrophobicContact CB-CE2 4.46Å; V258-F323 HydrophobicContact CG2-CD2 4.25Å; V258-F323 HydrophobicContact CG2-CE2 3.96Å; L302-F323 HydrophobicContact CD1-CB 4.18Å; L302-F323 HydrophobicContact CD1-CD1 4.1Å; L302-F323 HydrophobicContact CD1-CD2 3.54Å; L302-F323 HydrophobicContact CD1-CE1 4.38Å; L302-F323 HydrophobicContact CD1-CE2 3.84Å; L302-F323 HydrophobicContact CD1-CG 3.68Å; L302-F323 HydrophobicContact CD1-CZ 4.25Å; L302-F323 HydrophobicContact CG-CD2 4.33Å; L302-F323 HydrophobicContact CG-CE2 4.4Å; A305-F323 HydrophobicContact CB-CZ 4.24Å; A306-F323 HydrophobicContact CB-CE2 4.21Å; A306-F323 HydrophobicContact CB-CZ 4.43Å; V321-F323 HydrophobicContact CB-CE2 3.89Å; V321-F323 HydrophobicContact CB-CZ 4.34Å; V321-F323 HydrophobicContact CG1-CD2 4.25Å; V321-F323 HydrophobicContact CG1-CE1 4.3Å; V321-F323 HydrophobicContact CG1-CE2 3.47Å; V321-F323 VanDerWaalsContact CG1-CE2 3.47Å; V321-F323 HydrophobicContact CG1-CZ 3.5Å; V321-F323 VanDerWaalsContact CG1-CZ 3.5Å; V321-F323 WeakPolarHBondContact O-CD2 3.33Å; F323-F331 HydrophobicContact CB-CB 4.33Å; F323-F331 HydrophobicContact CD1-CB 4.46Å; F323-F331 AromaticContact CD1-CD2 3.68Å; F323-F331 HydrophobicContact CD1-CD2 3.68Å; F323-F331 HydrophobicContact CD1-CE2 4.47Å; F323-F331 AromaticContact CE1-CD2 3.86Å; F323-F331 HydrophobicContact CE1-CD2 3.86Å; F323-F331 HydrophobicContact CE1-CE2 4.21Å; F323-F331 HydrophobicContact CG-CD2 4.39Å; F323-Y332 CarbonylContact C-O 3.6Å; F323-Y332 VanDerWaalsContact CA-O 3.25Å; F323-Y332 WeakPolarHBondContact CA-O 3.37Å; F323-F333 HydrophobicContact CD1-CB 4.46Å; F323-F333 HydrophobicContact CE1-CB 4.32Å
324	I	94.3	Very high	95.1	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.138	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.8	161.1	-68.1	172.1	0	0	0	107.4	V250 P253 F331 Y332 M334	V250-I324 HydrophobicContact CB-CG2 3.85Å; V250-I324 HydrophobicContact CG1-CG2 3.84Å; V250-I324 HydrophobicContact CG2-CG2 3.96Å; P253-I324 HydrophobicContact CB-CG2 3.51Å; I324-F331 CarbonylContact O-C 3.07Å; I324-F331 VanDerWaalsContact O-CA 3.3Å; I324-F331 WeakPolarHBondContact O-CA 3.4Å; I324-Y332 PolarHBondContact N-O 2.93Å; I324-Y332 PolarHBondContact O-N 2.86Å; I324-M334 HydrophobicContact CD1-CB 4.48Å; I324-M334 HydrophobicContact CD1-CG 4.21Å; I324-M334 HydrophobicContact CD1-SD 3.72Å; I324-M334 HydrophobicContact CG1-CB 4.24Å; I324-M334 HydrophobicContact CG1-CG 4.35Å; I324-M334 HydrophobicContact CG1-SD 3.71Å
325	M	94.6	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	177.9	-177.1	172.3	-70.1	0	0	110.7	R254 V256 I294 V298 L302 H329 N330 F331	R254-M325 HydrophobicContact CB-CB 4.25Å; R254-M325 PolarHBondContact N-O 3.35Å; R254-M325 PolarHBondContact O-N 3.39Å; V256-M325 HydrophobicContact CG2-CB 4.02Å; V256-M325 HydrophobicContact CG2-CE 4.49Å; V256-M325 HydrophobicContact CG2-SD 4.23Å; I294-M325 HydrophobicContact CD1-CE 3.83Å; I294-M325 HydrophobicContact CD1-SD 3.7Å; I294-M325 HydrophobicContact CG1-SD 4.17Å; V298-M325 HydrophobicContact CG1-CE 4.39Å; L302-M325 HydrophobicContact CD1-CE 4.39Å; L302-M325 HydrophobicContact CD2-CE 4.25Å; M325-H329 HydrophobicContact CG-CB 4.48Å; M325-H329 HydrophobicContact SD-CB 4.09Å; M325-N330 CarbonylContact C-O 3.58Å; M325-N330 WeakPolarHBondContact CA-O 3.42Å; M325-F331 HydrophobicContact CB-CB 4.45Å; M325-F331 HydrophobicContact CE-CB 3.93Å; M325-F331 HydrophobicContact CE-CD1 4.3Å; M325-F331 HydrophobicContact CE-CG 4.49Å
326	D	92.4	Very high	94.7	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.123	17%	0.165	C	C	.	.			trans	-84.2	174.2	176	78.1	8.3	0	0	0	112.3	V250 K328 H329 N330	V250-D326 HydrophobicContact CG1-CB 3.71Å; D326-K328 PolarHBondContact O-N 2.95Å; D326-K328 VanDerWaalsContact O-N 3.16Å; D326-K328 VanDerWaalsContact OD1-C 3.25Å; D326-K328 VanDerWaalsContact OD1-CA 3.27Å; D326-K328 WeakPolarHBondContact OD1-CA 3.12Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 PolarHBondContact OD1-N 3.1Å; D326-H329 PolarHBondContact O-N 3.24Å; D326-H329 PolarHBondContact OD1-N 3.07Å; D326-N330 PolarHBondContact N-O 2.91Å; D326-N330 PolarHBondContact OD1-N 3.47Å; D326-N330 PolarHBondContact OD1-ND2 2.95Å; D326-N330 WeakPolarHBondContact OD2-CB 3.47Å; D326-N330 PolarHBondContact OD2-ND2 2.83Å
327	S	88.7	Confident	94.6	Very high	100 Å²	100	32.9 Å²	32.9	70%	0.699	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.9	178.4	59.3	0	0	0	0	114.7
328	K	89.9	Confident	94.6	Very high	169 Å²	169	33 Å²	33	74%	0.735	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	3.8	175.1	-62.2	178.8	-177.1	174.4	0	112.2	D326 N330	D326-K328 PolarHBondContact O-N 2.95Å; D326-K328 VanDerWaalsContact O-N 3.16Å; D326-K328 VanDerWaalsContact OD1-C 3.25Å; D326-K328 VanDerWaalsContact OD1-CA 3.27Å; D326-K328 WeakPolarHBondContact OD1-CA 3.12Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 PolarHBondContact OD1-N 3.1Å; K328-N330 PolarHBondContact O-N 3.09Å
329	H	91.7	Very high	94.5	Very high	48 Å²	48	34.6 Å²	34.6	22%	0.222	17%	0.171	C	C	.	.			trans	62.6	23.3	-173.3	-51.2	156.2	0	0	0	114.8	G293 V298 M325 D326	G293-H329 PolarHBondContact O-CE1 3.36Å; V298-H329 HydrophobicContact CG1-CB 4.11Å; M325-H329 HydrophobicContact CG-CB 4.48Å; M325-H329 HydrophobicContact SD-CB 4.09Å; D326-H329 PolarHBondContact O-N 3.24Å; D326-H329 PolarHBondContact OD1-N 3.07Å
330	N	93.4	Very high	94.5	Very high	77 Å²	77	34.6 Å²	34.6	41%	0.412	17%	0.171	S	C	.	.			trans	-71.4	135.8	159.7	-52.8	-61	0	0	0	107.6	M325 D326 K328 Y332	M325-N330 CarbonylContact C-O 3.58Å; M325-N330 WeakPolarHBondContact CA-O 3.42Å; D326-N330 PolarHBondContact N-O 2.91Å; D326-N330 PolarHBondContact OD1-N 3.47Å; D326-N330 PolarHBondContact OD1-ND2 2.95Å; D326-N330 WeakPolarHBondContact OD2-CB 3.47Å; D326-N330 PolarHBondContact OD2-ND2 2.83Å; K328-N330 PolarHBondContact O-N 3.09Å; N330-Y332 HydrophobicContact CB-CE2 3.99Å
331	F	95.8	Very high	94.5	Very high	25 Å²	25	34.9 Å²	34.9	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148	-177.9	59.1	-94.3	0	0	0	110.4	P176 V298 K301 L302 A305 F323 I324 M325	P176-F331 VanDerWaalsContact CB-O 3.31Å; P176-F331 WeakPolarHBondContact CB-O 3.42Å; P176-F331 HydrophobicContact CG-CD2 4.35Å; P176-F331 HydrophobicContact CG-CE2 3.86Å; P176-F331 HydrophobicContact CG-CZ 4.47Å; V298-F331 HydrophobicContact CG1-CD1 4.46Å; K301-F331 HydrophobicContact CB-CE1 4.2Å; K301-F331 HydrophobicContact CB-CZ 4.14Å; L302-F331 HydrophobicContact CB-CE1 4.32Å; L302-F331 HydrophobicContact CB-CZ 4.38Å; L302-F331 HydrophobicContact CD1-CB 3.92Å; L302-F331 HydrophobicContact CD1-CD1 3.94Å; L302-F331 HydrophobicContact CD1-CD2 3.5Å; L302-F331 HydrophobicContact CD1-CE1 4.32Å; L302-F331 HydrophobicContact CD1-CE2 3.92Å; L302-F331 HydrophobicContact CD1-CG 3.51Å; L302-F331 HydrophobicContact CD1-CZ 4.31Å; A305-F331 HydrophobicContact CB-CE2 3.92Å; A305-F331 HydrophobicContact CB-CZ 4.42Å; F323-F331 HydrophobicContact CB-CB 4.33Å; F323-F331 HydrophobicContact CD1-CB 4.46Å; F323-F331 AromaticContact CD1-CD2 3.68Å; F323-F331 HydrophobicContact CD1-CD2 3.68Å; F323-F331 HydrophobicContact CD1-CE2 4.47Å; F323-F331 AromaticContact CE1-CD2 3.86Å; F323-F331 HydrophobicContact CE1-CD2 3.86Å; F323-F331 HydrophobicContact CE1-CE2 4.21Å; F323-F331 HydrophobicContact CG-CD2 4.39Å; I324-F331 CarbonylContact O-C 3.07Å; I324-F331 VanDerWaalsContact O-CA 3.3Å; I324-F331 WeakPolarHBondContact O-CA 3.4Å; M325-F331 HydrophobicContact CB-CB 4.45Å; M325-F331 HydrophobicContact CE-CB 3.93Å; M325-F331 HydrophobicContact CE-CD1 4.3Å; M325-F331 HydrophobicContact CE-CG 4.49Å
332	Y	95.2	Very high	94.5	Very high	65 Å²	65	35.5 Å²	35.5	26%	0.255	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.6	-176	-51.9	-83.7	0	0	0	109.5	P176 V178 V250 F323 I324 N330 M334	P176-Y332 CarbonylContact O-C 3.58Å; P176-Y332 WeakPolarHBondContact O-CA 3.28Å; V178-Y332 HydrophobicContact CG2-CD1 4.49Å; V178-Y332 HydrophobicContact CG2-CD2 4.45Å; V178-Y332 HydrophobicContact CG2-CG 3.88Å; V250-Y332 HydrophobicContact CG2-CD2 4.26Å; V250-Y332 HydrophobicContact CG2-CE2 4.43Å; F323-Y332 CarbonylContact C-O 3.6Å; F323-Y332 VanDerWaalsContact CA-O 3.25Å; F323-Y332 WeakPolarHBondContact CA-O 3.37Å; I324-Y332 PolarHBondContact N-O 2.93Å; I324-Y332 PolarHBondContact O-N 2.86Å; N330-Y332 HydrophobicContact CB-CE2 3.99Å; Y332-M334 PolarHBondContact O-N 3.48Å
333	F	95.1	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	129.3	176.9	173.1	-95	0	0	0	110.1	M170 V175 P176 V177 V321 F323 E335 M336	M170-F333 HydrophobicContact CB-CD1 4.06Å; M170-F333 HydrophobicContact CB-CE1 4.32Å; M170-F333 HydrophobicContact CB-CG 4.2Å; M170-F333 HydrophobicContact CG-CD1 3.68Å; M170-F333 HydrophobicContact CG-CD2 3.79Å; M170-F333 HydrophobicContact CG-CE1 3.54Å; M170-F333 HydrophobicContact CG-CE2 3.64Å; M170-F333 HydrophobicContact CG-CG 3.8Å; M170-F333 HydrophobicContact CG-CZ 3.51Å; M170-F333 HydrophobicContact SD-CD2 4.25Å; M170-F333 HydrophobicContact SD-CE2 4.02Å; M170-F333 HydrophobicContact SD-CZ 4.34Å; V175-F333 HydrophobicContact CG1-CB 3.89Å; V175-F333 HydrophobicContact CG1-CD2 4.46Å; V175-F333 HydrophobicContact CG1-CG 4.47Å; P176-F333 WeakPolarHBondContact O-CB 3.4Å; P176-F333 PolarHBondContact O-N 3.01Å; V177-F333 HydrophobicContact CG1-CB 4.23Å; V177-F333 HydrophobicContact CG1-CD1 4.44Å; V321-F333 HydrophobicContact CG1-CD2 3.71Å; V321-F333 HydrophobicContact CG1-CE2 3.89Å; F323-F333 HydrophobicContact CD1-CB 4.46Å; F323-F333 HydrophobicContact CE1-CB 4.32Å; F333-E335 VanDerWaalsContact CE2-C 3.46Å; F333-E335 WeakPolarHBondContact CE2-O 3.3Å; F333-E335 VanDerWaalsContact CZ-C 3.47Å; F333-E335 VanDerWaalsContact CZ-CA 3.48Å; F333-M336 HydrophobicContact CE2-CB 4.13Å; F333-M336 HydrophobicContact CZ-CB 4.32Å
334	M	90	Very high	94.6	Very high	53 Å²	53	35.1 Å²	35.1	26%	0.261	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-60.7	175.3	-173.4	170.7	66.6	0	0	110.1	H255 E322 I324 Y332	H255-M334 WeakPolarHBondContact NE2-CE 3.49Å; E322-M334 HydrophobicContact CB-CE 3.85Å; E322-M334 WeakPolarHBondContact O-CB 3.32Å; E322-M334 PolarHBondContact O-N 2.83Å; E322-M334 WeakPolarHBondContact OE2-CE 3.38Å; I324-M334 HydrophobicContact CD1-CB 4.48Å; I324-M334 HydrophobicContact CD1-CG 4.21Å; I324-M334 HydrophobicContact CD1-SD 3.72Å; I324-M334 HydrophobicContact CG1-CB 4.24Å; I324-M334 HydrophobicContact CG1-CG 4.35Å; I324-M334 HydrophobicContact CG1-SD 3.71Å; Y332-M334 PolarHBondContact O-N 3.48Å
335	E	91.8	Very high	94.8	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	171.8	178.1	61.2	-172.5	176.8	0	0	111.1	E322 F333	E322-E335 HydrophobicContact CB-CG 4.3Å; E322-E335 PolarHBondContact N-O 2.85Å; E322-E335 PolarHBondContact O-N 2.95Å; F333-E335 VanDerWaalsContact CE2-C 3.46Å; F333-E335 WeakPolarHBondContact CE2-O 3.3Å; F333-E335 VanDerWaalsContact CZ-C 3.47Å; F333-E335 VanDerWaalsContact CZ-CA 3.48Å
336	M	94.7	Very high	95	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.8	172.3	-174.9	175.2	-173.5	0	0	108.9	M160 V260 A310 V313 Y315 T320 V321 F333 T338	M160-M336 HydrophobicContact CB-CB 4.4Å; M160-M336 HydrophobicContact CG-CB 4.03Å; M160-M336 HydrophobicContact CG-CG 4.38Å; M160-M336 HydrophobicContact CG-SD 4.11Å; M160-M336 HydrophobicContact SD-CB 3.77Å; M160-M336 HydrophobicContact SD-CG 4.43Å; M160-M336 HydrophobicContact SD-SD 4.01Å; V260-M336 HydrophobicContact CG2-CE 3.82Å; A310-M336 HydrophobicContact CB-CE 4.3Å; V313-M336 HydrophobicContact CG2-SD 4.44Å; Y315-M336 HydrophobicContact CD1-CE 3.95Å; Y315-M336 HydrophobicContact CD2-CE 3.32Å; Y315-M336 HydrophobicContact CD2-SD 4.07Å; Y315-M336 HydrophobicContact CE1-CE 4.06Å; Y315-M336 HydrophobicContact CE2-CE 3.45Å; Y315-M336 VanDerWaalsContact CE2-CE 3.45Å; Y315-M336 HydrophobicContact CE2-SD 4.23Å; Y315-M336 HydrophobicContact CG-CE 3.58Å; T320-M336 CarbonylContact O-C 3.59Å; T320-M336 WeakPolarHBondContact O-CA 2.83Å; V321-M336 HydrophobicContact CG2-CE 4.15Å; V321-M336 HydrophobicContact CG2-CG 4.16Å; V321-M336 HydrophobicContact CG2-SD 4.21Å; F333-M336 HydrophobicContact CE2-CB 4.13Å; F333-M336 HydrophobicContact CZ-CB 4.32Å; M336-T338 PolarHBondContact O-N 2.93Å
337	N	95.4	Very high	95.3	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.6	174.5	-76.4	-89	0	0	0	109	T320 E322 R339 Q341	T320-N337 PolarHBondContact N-O 2.92Å; T320-N337 VanDerWaalsContact N-O 3.11Å; T320-N337 PolarHBondContact O-N 2.78Å; E322-N337 PolarHBondContact OE1-ND2 3.04Å; N337-R339 HydrophobicContact CB-CG 4.45Å; N337-R339 PolarHBondContact O-N 3.35Å; N337-R339 PolarHBondContact OD1-NH2 2.79Å; N337-Q341 VanDerWaalsContact CB-NE2 3.28Å; N337-Q341 PolarHBondContact ND2-NE2 2.69Å; N337-Q341 VanDerWaalsContact ND2-NE2 3.2Å
338	T	96.8	Very high	95.8	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	13%	0.131	C	C	.	.			trans	-90	43.4	-166.9	58.8	0	0	0	0	112.6	E134 P152 M160 Y315 M336	E134-T338 PolarHBondContact OE1-N 2.91Å; E134-T338 PolarHBondContact OE1-OG1 3.33Å; P152-T338 WeakPolarHBondContact CD-O 3.29Å; P152-T338 WeakPolarHBondContact CG-O 3.4Å; M160-T338 HydrophobicContact CB-CG2 3.62Å; M160-T338 HydrophobicContact CG-CG2 3.94Å; Y315-T338 HydrophobicContact CE2-CG2 3.86Å; Y315-T338 WeakPolarHBondContact OH-CA 3.3Å; Y315-T338 PolarHBondContact OH-O 3.13Å; M336-T338 PolarHBondContact O-N 2.93Å
339	R	97.2	Very high	96.2	Very high	35 Å²	35	21.9 Å²	21.9	13%	0.132	10%	0.103	C	C	.	.	S	Bend	trans	-159.7	173.8	-170.5	55.4	173.3	173.5	75.1	10.5	111.8	S133 E134 Y315 A318 N337	S133-R339 WeakPolarHBondContact OG-CD 3.25Å; E134-R339 HydrophobicContact CG-CB 4.22Å; E134-R339 HydrophobicContact CG-CG 3.97Å; E134-R339 IonicContact OE1-NE 3.91Å; E134-R339 WeakPolarHBondContact OE2-CD 3.36Å; E134-R339 IonicContact OE2-CZ 3.79Å; E134-R339 IonicContact OE2-NE 2.7Å; E134-R339 PolarHBondContact OE2-NE 2.82Å; Y315-R339 PolarHBondContact OH-N 3.06Å; A318-R339 CarbonylContact O-C 3.32Å; N337-R339 HydrophobicContact CB-CG 4.45Å; N337-R339 PolarHBondContact O-N 3.35Å; N337-R339 PolarHBondContact OD1-NH2 2.79Å
340	L	97.9	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.			trans	-63.4	134.9	162.6	-170.2	67.7	0	0	0	109.3	I60 Y129 A318 H344 L355 V356	I60-L340 HydrophobicContact CD1-CD2 4.17Å; Y129-L340 WeakPolarHBondContact CB-O 3.42Å; A318-L340 HydrophobicContact CB-CD1 3.98Å; L340-H344 HydrophobicContact CD1-CB 3.75Å; L340-H344 HydrophobicContact CG-CB 4.21Å; L340-L355 HydrophobicContact CD1-CB 3.99Å; L340-L355 HydrophobicContact CD1-CD1 4.12Å; L340-V356 HydrophobicContact CD2-CG2 3.89Å
341	Q	97.6	Very high	96.8	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	8%	0.077	C	C	.	.			trans	-82.4	156	173.5	-81.2	-68.6	14.7	0	0	111.8	T320 E322 N337 E343 H344	T320-Q341 HydrophobicContact CG2-CG 3.91Å; T320-Q341 WeakPolarHBondContact OG1-CG 3.22Å; E322-Q341 PolarHBondContact OE1-NE2 3.08Å; N337-Q341 VanDerWaalsContact CB-NE2 3.28Å; N337-Q341 PolarHBondContact ND2-NE2 2.69Å; N337-Q341 VanDerWaalsContact ND2-NE2 3.2Å; Q341-E343 VanDerWaalsContact C-N 3.27Å; Q341-E343 HydrophobicContact CB-CG 4.23Å; Q341-E343 PolarHBondContact O-N 2.68Å; Q341-H344 WeakPolarHBondContact O-CB 3.29Å; Q341-H344 PolarHBondContact O-N 3.24Å; Q341-H344 PolarHBondContact O-ND1 2.77Å
342	V	97.9	Very high	96.8	Very high	13 Å²	13	18.9 Å²	18.9	8%	0.079	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-43.5	-179.1	-179.6	0	0	0	0	109.8	Y129 H344 P345 M433 K436	Y129-V342 HydrophobicContact CD1-CB 4.49Å; Y129-V342 HydrophobicContact CD1-CG2 3.93Å; Y129-V342 HydrophobicContact CD2-CG2 3.87Å; Y129-V342 HydrophobicContact CE1-CB 4.19Å; Y129-V342 HydrophobicContact CE1-CG1 4.25Å; Y129-V342 HydrophobicContact CE1-CG2 3.88Å; Y129-V342 HydrophobicContact CE2-CG2 3.88Å; Y129-V342 HydrophobicContact CG-CG2 3.94Å; V342-H344 VanDerWaalsContact C-N 3.27Å; V342-H344 PolarHBondContact O-N 2.99Å; V342-H344 PolarHBondContact O-ND1 3.49Å; V342-P345 VanDerWaalsContact O-CD 3.23Å; V342-P345 WeakPolarHBondContact O-CD 3.43Å; V342-M433 HydrophobicContact CG1-CE 4.03Å; V342-M433 HydrophobicContact CG1-SD 4.26Å; V342-K436 HydrophobicContact CG1-CD 3.59Å; V342-K436 PolarHBondContact O-NZ 3.01Å
343	E	98.1	Very high	97	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	13.2	-178.6	61	-89.1	-151.6	0	0	114.3	E257 R274 K284 E287 Q341 V346 E383 R385	E257-E343 WeakPolarHBondContact OE1-CG 3.08Å; R274-E343 WeakPolarHBondContact CD-O 3.49Å; K284-E343 WeakPolarHBondContact CD-OE1 3.28Å; K284-E343 WeakPolarHBondContact CE-OE1 3.44Å; K284-E343 IonicContact NZ-OE1 2.68Å; K284-E343 PolarHBondContact NZ-OE1 2.99Å; E287-E343 HydrophobicContact CB-CB 3.95Å; E287-E343 HydrophobicContact CG-CB 3.67Å; E287-E343 HydrophobicContact CG-CG 4.05Å; Q341-E343 VanDerWaalsContact C-N 3.27Å; Q341-E343 HydrophobicContact CB-CG 4.23Å; Q341-E343 PolarHBondContact O-N 2.68Å; E343-V346 WeakPolarHBondContact O-CG2 3.36Å; E343-V346 PolarHBondContact O-N 3.37Å; E343-E383 VanDerWaalsContact CA-OE1 3.31Å; E343-E383 WeakPolarHBondContact CA-OE1 3.43Å; E343-R385 IonicContact OE2-CZ 2.81Å; E343-R385 IonicContact OE2-NH2 2.64Å; E343-R385 PolarHBondContact OE2-NH2 3.1Å
344	H	98.7	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-54.8	-27.8	172	74.4	-85.6	0	0	0	115.3	R63 L340 Q341 V342 V346 T347 E348 L355	R63-H344 PolarHBondContact NE-NE2 2.76Å; L340-H344 HydrophobicContact CD1-CB 3.75Å; L340-H344 HydrophobicContact CG-CB 4.21Å; Q341-H344 WeakPolarHBondContact O-CB 3.29Å; Q341-H344 PolarHBondContact O-N 3.24Å; Q341-H344 PolarHBondContact O-ND1 2.77Å; V342-H344 VanDerWaalsContact C-N 3.27Å; V342-H344 PolarHBondContact O-N 2.99Å; V342-H344 PolarHBondContact O-ND1 3.49Å; H344-V346 VanDerWaalsContact C-N 3.28Å; H344-V346 PolarHBondContact O-N 2.87Å; H344-T347 WeakPolarHBondContact O-CB 3.3Å; H344-T347 PolarHBondContact O-N 3.18Å; H344-T347 VanDerWaalsContact O-N 3.08Å; H344-E348 IonicContact CD2-OE1 3.18Å; H344-E348 PolarHBondContact CD2-OE1 3.35Å; H344-E348 IonicContact CD2-OE2 2.68Å; H344-E348 IonicContact NE2-OE1 3.96Å; H344-E348 PolarHBondContact O-N 3.22Å; H344-L355 HydrophobicContact CB-CD1 3.9Å
345	P	98.7	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-34	178.7	-28.2	38.3	0	0	0	113.9	V342 T347 E348 M349 E383 E417 V438	V342-P345 VanDerWaalsContact O-CD 3.23Å; V342-P345 WeakPolarHBondContact O-CD 3.43Å; P345-T347 VanDerWaalsContact C-N 3.27Å; P345-T347 PolarHBondContact O-N 2.87Å; P345-E348 PolarHBondContact O-N 2.88Å; P345-M349 VanDerWaalsContact O-CG 3.23Å; P345-M349 WeakPolarHBondContact O-CG 3.36Å; P345-M349 PolarHBondContact O-N 2.87Å; P345-E383 WeakPolarHBondContact CB-OE2 3.21Å; P345-E383 VanDerWaalsContact CD-OE2 3.3Å; P345-E383 WeakPolarHBondContact CD-OE2 3.25Å; P345-E383 WeakPolarHBondContact CG-OE2 3.5Å; P345-E417 HydrophobicContact CG-CG 4.24Å; P345-V438 HydrophobicContact CB-CB 4.35Å; P345-V438 HydrophobicContact CB-CG1 4Å; P345-V438 HydrophobicContact CB-CG2 3.62Å; P345-V438 HydrophobicContact CG-CG2 4.27Å
346	V	98.7	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-36.4	177	-62.9	0	0	0	0	111.6	R274 A289 E343 H344 M349 I350 A381 E383 V438	R274-V346 HydrophobicContact CB-CG2 4.48Å; R274-V346 HydrophobicContact CG-CG2 3.78Å; A289-V346 HydrophobicContact CB-CB 3.81Å; A289-V346 HydrophobicContact CB-CG2 3.69Å; E343-V346 WeakPolarHBondContact O-CG2 3.36Å; E343-V346 PolarHBondContact O-N 3.37Å; H344-V346 VanDerWaalsContact C-N 3.28Å; H344-V346 PolarHBondContact O-N 2.87Å; V346-M349 PolarHBondContact O-N 2.53Å; V346-I350 WeakPolarHBondContact O-CG1 3.22Å; V346-I350 PolarHBondContact O-N 3.13Å; V346-A381 HydrophobicContact CB-CB 4Å; V346-A381 HydrophobicContact CG1-CB 4.21Å; V346-E383 HydrophobicContact CG1-CB 3.38Å; V346-V438 HydrophobicContact CG1-CG1 4.15Å
347	T	98.8	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-44	172.9	-65.9	0	0	0	0	111.4	Q259 L271 R274 H344 P345 M349 I350 T351 L355	Q259-T347 HydrophobicContact CB-CG2 4.02Å; Q259-T347 HydrophobicContact CG-CG2 4.07Å; L271-T347 HydrophobicContact CB-CG2 3.62Å; L271-T347 VanDerWaalsContact O-CG2 3.24Å; L271-T347 WeakPolarHBondContact O-CG2 3.31Å; R274-T347 WeakPolarHBondContact CD-OG1 3.49Å; R274-T347 PolarHBondContact NH1-OG1 2.98Å; H344-T347 WeakPolarHBondContact O-CB 3.3Å; H344-T347 PolarHBondContact O-N 3.18Å; H344-T347 VanDerWaalsContact O-N 3.08Å; P345-T347 VanDerWaalsContact C-N 3.27Å; P345-T347 PolarHBondContact O-N 2.87Å; T347-M349 VanDerWaalsContact C-N 3.32Å; T347-M349 PolarHBondContact O-N 3.03Å; T347-I350 WeakPolarHBondContact O-CG1 3.5Å; T347-I350 PolarHBondContact O-N 3.21Å; T347-T351 HydrophobicContact CG2-CG2 4.39Å; T347-T351 WeakPolarHBondContact O-CB 3.31Å; T347-T351 WeakPolarHBondContact O-CG2 3.25Å; T347-T351 PolarHBondContact O-N 2.85Å; T347-T351 VanDerWaalsContact O-N 3.11Å; T347-T351 PolarHBondContact O-OG1 2.94Å; T347-L355 HydrophobicContact CG2-CD1 4.43Å
348	E	98.7	Very high	98.2	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-42.8	177.1	-69.1	-173.9	162.3	0	0	111.6	R63 H344 P345 I350 T351 G352 T353 L355 R415	R63-E348 IonicContact CZ-OE1 2.75Å; R63-E348 IonicContact CZ-OE2 2.99Å; R63-E348 IonicContact NE-OE2 2.69Å; R63-E348 VanDerWaalsContact NH2-CD 3.31Å; R63-E348 IonicContact NH2-OE1 3.99Å; R63-E348 PolarHBondContact NH2-OE1 3.25Å; R63-E348 IonicContact NH2-OE2 3.1Å; R63-E348 PolarHBondContact NH2-OE2 3.32Å; R63-E348 VanDerWaalsContact NH2-OE2 3.11Å; H344-E348 IonicContact CD2-OE1 3.18Å; H344-E348 PolarHBondContact CD2-OE1 3.35Å; H344-E348 IonicContact CD2-OE2 2.68Å; H344-E348 IonicContact NE2-OE1 3.96Å; H344-E348 PolarHBondContact O-N 3.22Å; P345-E348 PolarHBondContact O-N 2.88Å; E348-I350 PolarHBondContact O-N 2.89Å; E348-T351 PolarHBondContact O-N 2.76Å; E348-G352 WeakPolarHBondContact O-CA 3.49Å; E348-G352 PolarHBondContact O-N 2.88Å; E348-T353 VanDerWaalsContact CB-O 3.28Å; E348-T353 WeakPolarHBondContact CB-O 3.31Å; E348-T353 VanDerWaalsContact CG-O 3.31Å; E348-T353 WeakPolarHBondContact CG-O 3.44Å; E348-L355 HydrophobicContact CG-CD2 4.5Å; E348-L355 HydrophobicContact CG-CG 3.8Å; E348-L355 WeakPolarHBondContact OE1-CB 3.49Å; E348-L355 PolarHBondContact OE1-N 2.84Å; E348-R415 IonicContact OE2-CZ 2.81Å; E348-R415 IonicContact OE2-NH1 3.7Å; E348-R415 PolarHBondContact OE2-NH1 2.84Å; E348-R415 IonicContact OE2-NH2 3.08Å; E348-R415 PolarHBondContact OE2-NH2 2.98Å
349	M	98.5	Very high	98.2	Very high	33 Å²	33	12.5 Å²	12.5	16%	0.163	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-35.7	-178.4	-67.1	-61	-71.7	0	0	112.9	P345 V346 T347 A381 P412 V438 W440	P345-M349 VanDerWaalsContact O-CG 3.23Å; P345-M349 WeakPolarHBondContact O-CG 3.36Å; P345-M349 PolarHBondContact O-N 2.87Å; V346-M349 PolarHBondContact O-N 2.53Å; T347-M349 VanDerWaalsContact C-N 3.32Å; T347-M349 PolarHBondContact O-N 3.03Å; M349-A381 HydrophobicContact CB-CB 3.8Å; M349-P412 WeakPolarHBondContact CE-O 3.41Å; M349-V438 HydrophobicContact CG-CG1 3.78Å; M349-W440 HydrophobicContact CB-CB 4.13Å; M349-W440 HydrophobicContact CB-CG 4.39Å; M349-W440 HydrophobicContact CE-CB 3.4Å; M349-W440 VanDerWaalsContact CE-CB 3.4Å; M349-W440 HydrophobicContact CE-CG 4.3Å; M349-W440 PolarHBondContact O-NE1 2.77Å
350	I	98.6	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-85.6	-17.1	179.1	63.9	169.2	0	0	0	114.2	F272 A289 V346 T347 E348 L377 Q378 A381	F272-I350 HydrophobicContact CB-CD1 4.18Å; F272-I350 HydrophobicContact CD2-CD1 4.49Å; A289-I350 HydrophobicContact CB-CD1 3.56Å; A289-I350 HydrophobicContact CB-CG1 4.29Å; A289-I350 HydrophobicContact CB-CG2 4.42Å; A289-I350 VanDerWaalsContact O-CG2 3.29Å; A289-I350 WeakPolarHBondContact O-CG2 3.33Å; V346-I350 WeakPolarHBondContact O-CG1 3.22Å; V346-I350 PolarHBondContact O-N 3.13Å; T347-I350 WeakPolarHBondContact O-CG1 3.5Å; T347-I350 PolarHBondContact O-N 3.21Å; E348-I350 PolarHBondContact O-N 2.89Å; I350-L377 HydrophobicContact CB-CD1 4.08Å; I350-L377 HydrophobicContact CD1-CD1 3.53Å; I350-L377 HydrophobicContact CG1-CD1 4.17Å; I350-Q378 WeakPolarHBondContact CA-O 3.21Å; I350-Q378 PolarHBondContact O-N 3.43Å; I350-A381 HydrophobicContact CG2-CB 3.89Å
351	T	98.4	Very high	98.2	Very high	13 Å²	13	14 Å²	14	8%	0.08	9%	0.086	C	C	.	.	H	α-helix	trans	-107	-19.1	-178.7	58.1	0	0	0	0	113.6	L271 F272 T347 E348 T353 I375	L271-T351 HydrophobicContact CB-CG2 4.27Å; L271-T351 HydrophobicContact CD2-CG2 4.48Å; F272-T351 HydrophobicContact CD2-CG2 3.83Å; F272-T351 HydrophobicContact CE2-CG2 4.15Å; T347-T351 HydrophobicContact CG2-CG2 4.39Å; T347-T351 WeakPolarHBondContact O-CB 3.31Å; T347-T351 WeakPolarHBondContact O-CG2 3.25Å; T347-T351 PolarHBondContact O-N 2.85Å; T347-T351 VanDerWaalsContact O-N 3.11Å; T347-T351 PolarHBondContact O-OG1 2.94Å; E348-T351 PolarHBondContact O-N 2.76Å; T351-T353 PolarHBondContact O-N 3.05Å; T351-T353 PolarHBondContact OG1-N 3.02Å; T351-T353 PolarHBondContact OG1-OG1 2.85Å; T351-I375 HydrophobicContact CG2-CG2 4.14Å
352	G	97.1	Very high	98.2	Very high	73 Å²	73	13.8 Å²	13.8	75%	0.753	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	22	-172.2	0	0	0	0	0	113.5	E348	E348-G352 WeakPolarHBondContact O-CA 3.49Å; E348-G352 PolarHBondContact O-N 2.88Å
353	T	97.6	Very high	98.2	Very high	19 Å²	19	13.6 Å²	13.6	12%	0.117	9%	0.086	C	C	.	.			trans	-98.3	161.5	179.9	62.2	0	0	0	0	111.8	L271 E348 T351 L355 W358 L370	L271-T353 HydrophobicContact CD2-CG2 4.03Å; E348-T353 VanDerWaalsContact CB-O 3.28Å; E348-T353 WeakPolarHBondContact CB-O 3.31Å; E348-T353 VanDerWaalsContact CG-O 3.31Å; E348-T353 WeakPolarHBondContact CG-O 3.44Å; T351-T353 PolarHBondContact O-N 3.05Å; T351-T353 PolarHBondContact OG1-N 3.02Å; T351-T353 PolarHBondContact OG1-OG1 2.85Å; T353-L355 WeakPolarHBondContact OG1-CD2 3.39Å; T353-W358 HydrophobicContact CG2-CH2 4.33Å; T353-W358 HydrophobicContact CG2-CZ2 3.85Å; T353-L370 HydrophobicContact CG2-CD1 4.49Å
354	D	98.3	Very high	98.1	Very high	23 Å²	23	14.2 Å²	14.2	12%	0.123	9%	0.091	C	C	.	.			trans	-117.2	104.7	167.5	-179.5	-16.9	0	0	0	106.9	R63 T67 K70 V356 E357 W358	R63-D354 IonicContact CZ-OD1 3.83Å; R63-D354 IonicContact NH1-OD1 2.71Å; R63-D354 IonicContact NH2-OD1 3.7Å; R63-D354 PolarHBondContact NH2-OD1 2.98Å; T67-D354 WeakPolarHBondContact CG2-OD2 3.02Å; T67-D354 PolarHBondContact OG1-OD1 3.13Å; T67-D354 PolarHBondContact OG1-OD2 3.31Å; K70-D354 IonicContact NZ-OD2 3.91Å; D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact OD1-N 3.45Å; D354-E357 HydrophobicContact CB-CB 3.75Å; D354-E357 WeakPolarHBondContact O-CB 3.24Å; D354-E357 PolarHBondContact O-N 3.11Å; D354-E357 PolarHBondContact OD1-N 3.36Å; D354-E357 VanDerWaalsContact OD1-N 3.07Å; D354-W358 PolarHBondContact O-N 3.12Å; D354-W358 VanDerWaalsContact O-N 3.11Å
355	L	98.5	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-34.3	-174.2	-59.6	-161.8	0	0	0	111.3	Q259 F261 L271 L340 H344 T347 E348 T353 E357 W358 Q359	Q259-L355 HydrophobicContact CG-CD1 3.77Å; F261-L355 HydrophobicContact CE2-CB 4.1Å; F261-L355 HydrophobicContact CE2-CD2 4.16Å; F261-L355 WeakPolarHBondContact CZ-O 3.31Å; L271-L355 HydrophobicContact CD2-CD2 3.81Å; L340-L355 HydrophobicContact CD1-CB 3.99Å; L340-L355 HydrophobicContact CD1-CD1 4.12Å; H344-L355 HydrophobicContact CB-CD1 3.9Å; T347-L355 HydrophobicContact CG2-CD1 4.43Å; E348-L355 HydrophobicContact CG-CD2 4.5Å; E348-L355 HydrophobicContact CG-CG 3.8Å; E348-L355 WeakPolarHBondContact OE1-CB 3.49Å; E348-L355 PolarHBondContact OE1-N 2.84Å; T353-L355 WeakPolarHBondContact OG1-CD2 3.39Å; L355-E357 VanDerWaalsContact C-N 3.29Å; L355-E357 PolarHBondContact O-N 3.32Å; L355-W358 PolarHBondContact O-N 2.92Å; L355-Q359 WeakPolarHBondContact O-CG 3.17Å; L355-Q359 PolarHBondContact O-N 3.2Å
356	V	98.6	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-37.2	175.1	177.4	0	0	0	0	110.3	R63 V64 T67 L340 D354 W358 Q359 L360	R63-V356 HydrophobicContact CG-CG2 4.38Å; V64-V356 HydrophobicContact CB-CG1 4.4Å; V64-V356 HydrophobicContact CG1-CG1 4.17Å; V64-V356 HydrophobicContact CG2-CG1 4.26Å; V64-V356 HydrophobicContact CG2-CG2 4.39Å; T67-V356 HydrophobicContact CG2-CB 4.09Å; T67-V356 HydrophobicContact CG2-CG1 3.92Å; L340-V356 HydrophobicContact CD2-CG2 3.89Å; D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact OD1-N 3.45Å; V356-W358 VanDerWaalsContact C-N 3.32Å; V356-W358 PolarHBondContact O-N 3.45Å; V356-Q359 WeakPolarHBondContact O-CB 3.17Å; V356-Q359 PolarHBondContact O-N 2.99Å; V356-L360 HydrophobicContact CG1-CD1 4.37Å; V356-L360 PolarHBondContact O-N 2.78Å
357	E	98.6	Very high	97.8	Very high	21 Å²	21	24.1 Å²	24.1	10%	0.098	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.2	170.4	171.1	176.2	0	0	110.4	T67 K70 L71 D354 L355 L360 R361	T67-E357 HydrophobicContact CG2-CB 3.72Å; K70-E357 IonicContact NZ-OE2 2.64Å; K70-E357 PolarHBondContact NZ-OE2 2.82Å; L71-E357 HydrophobicContact CD1-CB 4.24Å; L71-E357 HydrophobicContact CD1-CG 4.01Å; L71-E357 HydrophobicContact CD2-CG 4.05Å; D354-E357 HydrophobicContact CB-CB 3.75Å; D354-E357 WeakPolarHBondContact O-CB 3.24Å; D354-E357 PolarHBondContact O-N 3.11Å; D354-E357 PolarHBondContact OD1-N 3.36Å; D354-E357 VanDerWaalsContact OD1-N 3.07Å; L355-E357 VanDerWaalsContact C-N 3.29Å; L355-E357 PolarHBondContact O-N 3.32Å; E357-L360 PolarHBondContact O-N 3.43Å; E357-R361 WeakPolarHBondContact O-CG 3.36Å; E357-R361 PolarHBondContact O-N 2.71Å; E357-R361 IonicContact OE1-CZ 2.86Å; E357-R361 VanDerWaalsContact OE1-CZ 3.31Å; E357-R361 IonicContact OE1-NE 3.81Å; E357-R361 PolarHBondContact OE1-NE 3.44Å; E357-R361 IonicContact OE1-NH2 2.63Å; E357-R361 PolarHBondContact OE1-NH2 2.74Å
358	W	98.3	Very high	97.7	Very high	13 Å²	13	25 Å²	25	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-39.3	175.1	-74	26	0	0	0	112.2	F261 V269 L271 T353 D354 L355 V356 L360 R361 I362 I368 P369 L370 I375	F261-W358 HydrophobicContact CB-CE3 4.31Å; F261-W358 HydrophobicContact CB-CZ3 4.49Å; F261-W358 HydrophobicContact CD1-CB 4.46Å; F261-W358 HydrophobicContact CD1-CE3 4.37Å; F261-W358 AromaticContact CD2-CE3 3.82Å; F261-W358 HydrophobicContact CD2-CE3 3.82Å; F261-W358 HydrophobicContact CE1-CB 3.72Å; F261-W358 HydrophobicContact CE2-CB 3.84Å; F261-W358 HydrophobicContact CE2-CE3 4.15Å; F261-W358 AromaticContact CG-CE3 3.9Å; F261-W358 HydrophobicContact CG-CE3 3.9Å; F261-W358 HydrophobicContact CZ-CB 3.34Å; F261-W358 HydrophobicContact CZ-CG 4.48Å; V269-W358 HydrophobicContact CG2-CZ3 4.1Å; L271-W358 HydrophobicContact CD1-CZ3 4.23Å; L271-W358 HydrophobicContact CD2-CH2 4.09Å; L271-W358 HydrophobicContact CD2-CZ3 3.99Å; T353-W358 HydrophobicContact CG2-CH2 4.33Å; T353-W358 HydrophobicContact CG2-CZ2 3.85Å; D354-W358 PolarHBondContact O-N 3.12Å; D354-W358 VanDerWaalsContact O-N 3.11Å; L355-W358 PolarHBondContact O-N 2.92Å; V356-W358 VanDerWaalsContact C-N 3.32Å; V356-W358 PolarHBondContact O-N 3.45Å; W358-L360 VanDerWaalsContact C-N 3.34Å; W358-L360 PolarHBondContact O-N 2.91Å; W358-R361 PolarHBondContact O-N 3.01Å; W358-I362 WeakPolarHBondContact O-CB 3.25Å; W358-I362 WeakPolarHBondContact O-CG1 3.3Å; W358-I362 PolarHBondContact O-N 3.49Å; W358-I368 HydrophobicContact CE3-CG2 4.15Å; W358-I368 HydrophobicContact CH2-CG2 4.24Å; W358-I368 HydrophobicContact CZ3-CG2 3.74Å; W358-P369 HydrophobicContact CD2-CG 4.15Å; W358-P369 HydrophobicContact CG-CG 4.12Å; W358-P369 HydrophobicContact CZ2-CB 4.33Å; W358-L370 HydrophobicContact CH2-CB 4.02Å; W358-L370 HydrophobicContact CH2-CD1 4.2Å; W358-L370 HydrophobicContact CH2-CG 4.26Å; W358-L370 HydrophobicContact CZ2-CB 4.13Å; W358-L370 HydrophobicContact CZ2-CD1 3.79Å; W358-L370 HydrophobicContact CZ2-CG 3.87Å; W358-I375 HydrophobicContact CH2-CD1 4.25Å; W358-I375 HydrophobicContact CH2-CG1 4.43Å
359	Q	98.4	Very high	97.6	Very high	5 Å²	5	27 Å²	27	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-45.3	176	-74.7	-174.3	-87.6	0	0	111.1	H126 I150 F261 A318 L355 V356 A363	H126-Q359 PolarHBondContact NE2-OE1 3.29Å; I150-Q359 HydrophobicContact CG2-CB 3.7Å; F261-Q359 HydrophobicContact CE1-CG 4.2Å; F261-Q359 HydrophobicContact CZ-CB 4.35Å; F261-Q359 HydrophobicContact CZ-CG 3.6Å; A318-Q359 HydrophobicContact CB-CG 3.81Å; L355-Q359 WeakPolarHBondContact O-CG 3.17Å; L355-Q359 PolarHBondContact O-N 3.2Å; V356-Q359 WeakPolarHBondContact O-CB 3.17Å; V356-Q359 PolarHBondContact O-N 2.99Å; Q359-A363 WeakPolarHBondContact O-CB 3.41Å; Q359-A363 PolarHBondContact O-N 3.41Å
360	L	98.1	Very high	97.5	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-46.8	178.4	-72.5	167.3	0	0	0	112.2	V52 T67 L71 I150 V356 E357 W358 A363 A364	V52-L360 HydrophobicContact CG2-CD2 4.44Å; T67-L360 HydrophobicContact CG2-CD1 4.29Å; L71-L360 HydrophobicContact CD1-CB 4.4Å; L71-L360 HydrophobicContact CD1-CD1 3.75Å; I150-L360 HydrophobicContact CD1-CD2 3.6Å; V356-L360 HydrophobicContact CG1-CD1 4.37Å; V356-L360 PolarHBondContact O-N 2.78Å; E357-L360 PolarHBondContact O-N 3.43Å; W358-L360 VanDerWaalsContact C-N 3.34Å; W358-L360 PolarHBondContact O-N 2.91Å; L360-A363 PolarHBondContact O-N 3.25Å; L360-A364 WeakPolarHBondContact O-CB 3.18Å; L360-A364 PolarHBondContact O-N 3.08Å
361	R	97.3	Very high	97.5	Very high	58 Å²	58	29.8 Å²	29.8	22%	0.219	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-46.4	178.2	-71.4	176.2	-178.3	-122.5	6.9	112.1	E357 W358 A364 G365 E366	E357-R361 WeakPolarHBondContact O-CG 3.36Å; E357-R361 PolarHBondContact O-N 2.71Å; E357-R361 IonicContact OE1-CZ 2.86Å; E357-R361 VanDerWaalsContact OE1-CZ 3.31Å; E357-R361 IonicContact OE1-NE 3.81Å; E357-R361 PolarHBondContact OE1-NE 3.44Å; E357-R361 IonicContact OE1-NH2 2.63Å; E357-R361 PolarHBondContact OE1-NH2 2.74Å; W358-R361 PolarHBondContact O-N 3.01Å; R361-A364 WeakPolarHBondContact O-CB 3Å; R361-A364 PolarHBondContact O-N 3.06Å; R361-G365 PolarHBondContact O-N 2.96Å; R361-E366 HydrophobicContact CB-CB 4.23Å; R361-E366 HydrophobicContact CB-CG 4.45Å; R361-E366 IonicContact NH1-OE2 2.64Å; R361-E366 VanDerWaalsContact O-CB 3.28Å; R361-E366 WeakPolarHBondContact O-CB 3.3Å; R361-E366 PolarHBondContact O-N 3.45Å
362	I	97.1	Very high	97.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-39.8	-179.1	-69.8	178.5	0	0	0	111	F261 D263 H264 V316 W358 A364 G365 I368	F261-I362 HydrophobicContact CD1-CD1 3.3Å; F261-I362 HydrophobicContact CE1-CD1 3.49Å; F261-I362 VanDerWaalsContact CE1-CD1 3.49Å; F261-I362 HydrophobicContact CE1-CG1 4.5Å; F261-I362 HydrophobicContact CG-CD1 4.46Å; D263-I362 HydrophobicContact CB-CD1 4.16Å; D263-I362 HydrophobicContact CB-CG1 4.29Å; D263-I362 HydrophobicContact CB-CG2 4Å; H264-I362 PolarHBondContact CD2-O 2.86Å; H264-I362 VanDerWaalsContact CD2-O 3.26Å; V316-I362 HydrophobicContact CG1-CG2 3.75Å; W358-I362 WeakPolarHBondContact O-CB 3.25Å; W358-I362 WeakPolarHBondContact O-CG1 3.3Å; W358-I362 PolarHBondContact O-N 3.49Å; I362-A364 PolarHBondContact O-N 2.96Å; I362-G365 WeakPolarHBondContact O-CA 3.43Å; I362-G365 PolarHBondContact O-N 3.05Å; I362-I368 HydrophobicContact CD1-CG1 3.89Å
363	A	97.2	Very high	97.5	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-29.2	173.6	0	0	0	0	0	112.5	I49 I148 I150 Q359 L360 G365	I49-A363 HydrophobicContact CD1-CB 3.97Å; I148-A363 HydrophobicContact CG2-CB 3.89Å; I150-A363 HydrophobicContact CB-CB 4.25Å; I150-A363 HydrophobicContact CG1-CB 3.77Å; I150-A363 HydrophobicContact CG2-CB 4.09Å; Q359-A363 WeakPolarHBondContact O-CB 3.41Å; Q359-A363 PolarHBondContact O-N 3.41Å; L360-A363 PolarHBondContact O-N 3.25Å; A363-G365 PolarHBondContact O-N 2.88Å
364	A	96.1	Very high	97.5	Very high	14 Å²	14	38.8 Å²	38.8	12%	0.116	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.1	170.4	0	0	0	0	0	113.5	G46 R47 I49 L360 R361 I362	G46-A364 CarbonylContact C-O 3.59Å; G46-A364 WeakPolarHBondContact CA-O 3.44Å; R47-A364 PolarHBondContact N-O 3.42Å; R47-A364 WeakPolarHBondContact O-CA 3.35Å; R47-A364 VanDerWaalsContact O-CB 3.28Å; R47-A364 WeakPolarHBondContact O-CB 3.11Å; I49-A364 HydrophobicContact CD1-CB 4.02Å; I49-A364 HydrophobicContact CG1-CB 4.18Å; L360-A364 WeakPolarHBondContact O-CB 3.18Å; L360-A364 PolarHBondContact O-N 3.08Å; R361-A364 WeakPolarHBondContact O-CB 3Å; R361-A364 PolarHBondContact O-N 3.06Å; I362-A364 PolarHBondContact O-N 2.96Å
365	G	95.5	Very high	97.4	Very high	24 Å²	24	38.1 Å²	38.1	25%	0.247	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	7.3	179.1	0	0	0	0	0	114.6	H265 R361 I362 A363	H265-G365 PolarHBondContact NE2-O 3.16Å; R361-G365 PolarHBondContact O-N 2.96Å; I362-G365 WeakPolarHBondContact O-CA 3.43Å; I362-G365 PolarHBondContact O-N 3.05Å; A363-G365 PolarHBondContact O-N 2.88Å
366	E	96.4	Very high	97.4	Very high	54 Å²	54	41.3 Å²	41.3	25%	0.252	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-69.1	161.5	173.4	-61.6	-177.9	-149.8	0	0	111.8	R361	R361-E366 HydrophobicContact CB-CB 4.23Å; R361-E366 HydrophobicContact CB-CG 4.45Å; R361-E366 IonicContact NH1-OE2 2.64Å; R361-E366 VanDerWaalsContact O-CB 3.28Å; R361-E366 WeakPolarHBondContact O-CB 3.3Å; R361-E366 PolarHBondContact O-N 3.45Å
367	K	97.3	Very high	97.3	Very high	129 Å²	129	44.4 Å²	44.4	56%	0.561	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-78.3	161.7	170.3	-68.7	-178.8	179.8	-175.3	0	110.5	D263 H265	D263-K367 VanDerWaalsContact OD2-CA 3.32Å; D263-K367 WeakPolarHBondContact OD2-CA 3.37Å; H265-K367 HydrophobicContact CB-CG 4.33Å; H265-K367 VanDerWaalsContact CD2-CG 3.47Å; H265-K367 WeakPolarHBondContact CD2-CG 3.29Å
368	I	96.9	Very high	97.3	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.097	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-53.4	128.1	169.7	-57.6	176.5	0	0	0	109.2	F261 D263 N267 V269 W358 I362 L370	F261-I368 WeakPolarHBondContact O-CD1 3.24Å; D263-I368 HydrophobicContact CB-CD1 4.48Å; D263-I368 HydrophobicContact CB-CG1 3.81Å; D263-I368 PolarHBondContact OD2-N 3.25Å; N267-I368 HydrophobicContact CB-CD1 3.96Å; N267-I368 HydrophobicContact CB-CG1 4.45Å; V269-I368 HydrophobicContact CG1-CD1 4.21Å; V269-I368 HydrophobicContact CG1-CG2 4.29Å; V269-I368 HydrophobicContact CG2-CD1 4.16Å; V269-I368 HydrophobicContact CG2-CG2 3.84Å; W358-I368 HydrophobicContact CE3-CG2 4.15Å; W358-I368 HydrophobicContact CH2-CG2 4.24Å; W358-I368 HydrophobicContact CZ3-CG2 3.74Å; I362-I368 HydrophobicContact CD1-CG1 3.89Å; I368-L370 VanDerWaalsContact C-N 3.29Å; I368-L370 WeakPolarHBondContact CG2-O 3.48Å; I368-L370 PolarHBondContact O-N 3.01Å
369	P	96.4	Very high	97.3	Very high	50 Å²	50	49.3 Å²	49.3	33%	0.325	26%	0.262	S	S	.	.	S	Bend	trans	-66.3	-22.7	-172.1	-27.7	37.5	0	0	0	116.1	W358	W358-P369 HydrophobicContact CD2-CG 4.15Å; W358-P369 HydrophobicContact CG-CG 4.12Å; W358-P369 HydrophobicContact CZ2-CB 4.33Å
370	L	97.9	Very high	97.3	Very high	44 Å²	44	49.6 Å²	49.6	23%	0.23	26%	0.263	C	S	.	.	S	Bend	trans	-131.1	144.4	-176.9	-62.4	179.8	0	0	0	110.8	T353 W358 I368 E374 I375	T353-L370 HydrophobicContact CG2-CD1 4.49Å; W358-L370 HydrophobicContact CH2-CB 4.02Å; W358-L370 HydrophobicContact CH2-CD1 4.2Å; W358-L370 HydrophobicContact CH2-CG 4.26Å; W358-L370 HydrophobicContact CZ2-CB 4.13Å; W358-L370 HydrophobicContact CZ2-CD1 3.79Å; W358-L370 HydrophobicContact CZ2-CG 3.87Å; I368-L370 VanDerWaalsContact C-N 3.29Å; I368-L370 WeakPolarHBondContact CG2-O 3.48Å; I368-L370 PolarHBondContact O-N 3.01Å; L370-E374 WeakPolarHBondContact CA-OE2 3.34Å; L370-E374 HydrophobicContact CB-CB 4.14Å; L370-E374 HydrophobicContact CD2-CB 4.2Å; L370-I375 HydrophobicContact CB-CG1 4.09Å; L370-I375 HydrophobicContact CD1-CG1 4.33Å
371	S	97.6	Very high	97.3	Very high	48 Å²	48	49.2 Å²	49.2	34%	0.336	26%	0.261	S	S	.	.			trans	-74	167.4	167.7	90.2	0	0	0	0	111.6	E373 E374 I375	S371-E373 WeakPolarHBondContact CB-OE2 3.4Å; S371-E373 PolarHBondContact O-N 3.23Å; S371-E373 PolarHBondContact OG-N 2.81Å; S371-E373 PolarHBondContact OG-OE2 3.43Å; S371-E374 PolarHBondContact N-OE2 2.96Å; S371-E374 PolarHBondContact O-N 3.37Å; S371-E374 VanDerWaalsContact O-N 3.15Å; S371-I375 WeakPolarHBondContact O-CG1 3.26Å; S371-I375 PolarHBondContact O-N 3.49Å
372	Q	98	Very high	97.4	Very high	41 Å²	41	46.5 Å²	46.5	19%	0.192	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.1	179.6	-174	59.5	69.3	0	0	112.6	Y270 E374	Y270-Q372 HydrophobicContact CD1-CG 4.38Å; Y270-Q372 HydrophobicContact CE1-CG 3.87Å; Y270-Q372 VanDerWaalsContact CE1-OE1 3.29Å; Y270-Q372 PolarHBondContact O-NE2 2.88Å; Q372-E374 VanDerWaalsContact C-N 3.35Å
373	E	96.7	Very high	97.5	Very high	158 Å²	158	46.4 Å²	46.4	74%	0.738	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-22.7	-178.8	-56.3	72.4	-156.4	0	0	112.6	S371	S371-E373 WeakPolarHBondContact CB-OE2 3.4Å; S371-E373 PolarHBondContact O-N 3.23Å; S371-E373 PolarHBondContact OG-N 2.81Å; S371-E373 PolarHBondContact OG-OE2 3.43Å
374	E	97.6	Very high	97.5	Very high	94 Å²	94	46 Å²	46	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.3	177.8	-66.7	-178.9	119.6	0	0	112.8	L370 S371 Q372 T376	L370-E374 WeakPolarHBondContact CA-OE2 3.34Å; L370-E374 HydrophobicContact CB-CB 4.14Å; L370-E374 HydrophobicContact CD2-CB 4.2Å; S371-E374 PolarHBondContact N-OE2 2.96Å; S371-E374 PolarHBondContact O-N 3.37Å; S371-E374 VanDerWaalsContact O-N 3.15Å; Q372-E374 VanDerWaalsContact C-N 3.35Å; E374-T376 PolarHBondContact O-N 3.29Å
375	I	98	Very high	97.6	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.051	25%	0.245	C	C	.	.			trans	-80.9	105	178.1	-62.3	163.7	0	0	0	108.8	V269 L271 F272 T351 W358 L370 S371	V269-I375 HydrophobicContact CB-CD1 3.86Å; V269-I375 HydrophobicContact CG1-CD1 4.41Å; V269-I375 HydrophobicContact CG2-CD1 3.72Å; L271-I375 HydrophobicContact CG-CD1 4.33Å; L271-I375 HydrophobicContact CG-CG2 4.43Å; F272-I375 HydrophobicContact CD2-CG2 4.44Å; F272-I375 HydrophobicContact CE2-CG2 3.82Å; F272-I375 HydrophobicContact CZ-CG2 4.47Å; F272-I375 WeakPolarHBondContact CZ-O 3.24Å; T351-I375 HydrophobicContact CG2-CG2 4.14Å; W358-I375 HydrophobicContact CH2-CD1 4.25Å; W358-I375 HydrophobicContact CH2-CG1 4.43Å; L370-I375 HydrophobicContact CB-CG1 4.09Å; L370-I375 HydrophobicContact CD1-CG1 4.33Å; S371-I375 WeakPolarHBondContact O-CG1 3.26Å; S371-I375 PolarHBondContact O-N 3.49Å
376	T	97	Very high	97.7	Very high	67 Å²	67	45.1 Å²	45.1	41%	0.411	23%	0.233	S	C	.	.			trans	-98	141.5	-177.6	62.7	0	0	0	0	112.3	E374 Q378	E374-T376 PolarHBondContact O-N 3.29Å; T376-Q378 PolarHBondContact OG1-NE2 3.29Å
377	L	97.5	Very high	97.8	Very high	65 Å²	65	42.8 Å²	42.8	34%	0.34	22%	0.222	S	C	.	.			trans	-87.5	123	170.7	-179.8	62.7	0	0	0	110	F272 P290 I350	F272-L377 HydrophobicContact CB-CD1 4.49Å; F272-L377 HydrophobicContact CD1-CB 4.34Å; F272-L377 HydrophobicContact CD1-CD2 4.49Å; F272-L377 HydrophobicContact CD2-CB 4.07Å; F272-L377 HydrophobicContact CD2-CD1 3.94Å; F272-L377 HydrophobicContact CE1-CB 3.9Å; F272-L377 HydrophobicContact CE2-CB 3.62Å; F272-L377 HydrophobicContact CE2-CD1 4.34Å; F272-L377 HydrophobicContact CG-CB 4.42Å; F272-L377 HydrophobicContact CG-CD1 4.04Å; F272-L377 HydrophobicContact CZ-CB 3.53Å; P290-L377 HydrophobicContact CB-CD1 4.14Å; P290-L377 HydrophobicContact CB-CD2 4.24Å; P290-L377 HydrophobicContact CG-CD1 4.15Å; P290-L377 HydrophobicContact CG-CD2 4.18Å; I350-L377 HydrophobicContact CB-CD1 4.08Å; I350-L377 HydrophobicContact CD1-CD1 3.53Å; I350-L377 HydrophobicContact CG1-CD1 4.17Å
378	Q	97.2	Very high	97.7	Very high	109 Å²	109	36.6 Å²	36.6	51%	0.509	20%	0.195	S	C	.	.			trans	-131.7	123.4	-179.9	-59.3	-177	26.2	0	0	111.6	I350 T376 W440	I350-Q378 WeakPolarHBondContact CA-O 3.21Å; I350-Q378 PolarHBondContact O-N 3.43Å; T376-Q378 PolarHBondContact OG1-NE2 3.29Å; Q378-W440 PolarHBondContact O-NE1 2.85Å
379	G	98.1	Very high	97.5	Very high	27 Å²	27	35.7 Å²	35.7	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	63	-153	175.7	0	0	0	0	0	114	A441 A442	G379-A441 CarbonylContact C-O 3.53Å; G379-A441 WeakPolarHBondContact CA-O 3.13Å; G379-A442 WeakPolarHBondContact CA-O 3.44Å
380	H	98.8	Very high	97.2	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.1	-179.2	-156.7	101.3	0	0	0	109.7	E288 A289 P290 F382 W440 A441 R444 A447	E288-H380 IonicContact OE2-CD2 2.63Å; E288-H380 IonicContact OE2-CE1 2.7Å; E288-H380 PolarHBondContact OE2-CE1 3.41Å; E288-H380 VanDerWaalsContact OE2-CE1 3.26Å; E288-H380 IonicContact OE2-NE2 3.24Å; E288-H380 PolarHBondContact OE2-NE2 3.26Å; A289-H380 CarbonylContact O-C 3.54Å; A289-H380 WeakPolarHBondContact O-CA 3.48Å; P290-H380 PolarHBondContact O-CE1 2.76Å; H380-F382 AromaticContact CD2-CE2 3.74Å; H380-F382 AromaticContact NE2-CZ 3.92Å; H380-W440 VanDerWaalsContact O-CA 3.32Å; H380-W440 WeakPolarHBondContact O-CA 3.27Å; H380-A441 PolarHBondContact N-O 2.77Å; H380-A441 PolarHBondContact O-N 2.78Å; H380-R444 HydrophobicContact CB-CB 4.37Å; H380-A447 HydrophobicContact CB-CB 4.28Å; H380-A447 WeakPolarHBondContact O-CB 3.41Å
381	A	98.9	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.2	177.8	0	0	0	0	0	111.8	E288 A289 V346 M349 I350 V439	E288-A381 VanDerWaalsContact CA-O 3.29Å; E288-A381 WeakPolarHBondContact CA-O 3.24Å; A289-A381 PolarHBondContact N-O 3.11Å; A289-A381 PolarHBondContact O-N 3Å; V346-A381 HydrophobicContact CB-CB 4Å; V346-A381 HydrophobicContact CG1-CB 4.21Å; M349-A381 HydrophobicContact CB-CB 3.8Å; I350-A381 HydrophobicContact CG2-CB 3.89Å; A381-V439 CarbonylContact C-O 3.46Å; A381-V439 WeakPolarHBondContact CA-O 3.3Å; A381-V439 WeakPolarHBondContact CB-O 3.49Å
382	F	98.9	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.5	168.1	-74.8	-81.4	0	0	0	109.4	I286 E287 E288 H380 V438 V439 R444 A447 L448 L451 F479	I286-F382 HydrophobicContact CG2-CD1 4.02Å; E287-F382 CarbonylContact O-C 3.55Å; E287-F382 WeakPolarHBondContact O-CA 3.4Å; E288-F382 HydrophobicContact CB-CD1 3.5Å; E288-F382 HydrophobicContact CB-CE1 3.49Å; E288-F382 VanDerWaalsContact CB-CE1 3.49Å; E288-F382 HydrophobicContact CB-CG 4.32Å; E288-F382 HydrophobicContact CB-CZ 4.3Å; E288-F382 HydrophobicContact CG-CD1 4.5Å; E288-F382 HydrophobicContact CG-CE1 4.07Å; E288-F382 WeakPolarHBondContact OE2-CE1 3.35Å; H380-F382 AromaticContact CD2-CE2 3.74Å; H380-F382 AromaticContact NE2-CZ 3.92Å; F382-V438 CarbonylContact O-C 3.46Å; F382-V438 VanDerWaalsContact O-CA 3.3Å; F382-V438 WeakPolarHBondContact O-CA 3.2Å; F382-V439 HydrophobicContact CB-CG2 4Å; F382-V439 PolarHBondContact N-O 2.98Å; F382-V439 PolarHBondContact O-N 2.69Å; F382-R444 HydrophobicContact CE2-CG 3.88Å; F382-R444 WeakPolarHBondContact CE2-O 3.4Å; F382-R444 HydrophobicContact CZ-CG 3.67Å; F382-A447 HydrophobicContact CD2-CB 3.71Å; F382-A447 HydrophobicContact CE2-CB 3.96Å; F382-L448 HydrophobicContact CD2-CB 4.47Å; F382-L448 HydrophobicContact CE2-CB 3.81Å; F382-L448 HydrophobicContact CE2-CD1 4.36Å; F382-L448 HydrophobicContact CZ-CB 4.29Å; F382-L448 HydrophobicContact CZ-CD1 4.32Å; F382-L451 HydrophobicContact CB-CD1 4.41Å; F382-L451 HydrophobicContact CB-CD2 3.9Å; F382-L451 HydrophobicContact CB-CG 4.5Å; F382-L451 HydrophobicContact CD1-CD2 4.47Å; F382-L451 HydrophobicContact CG-CD2 4.17Å; F382-F479 HydrophobicContact CD1-CE1 4.49Å; F382-F479 HydrophobicContact CD1-CZ 4.21Å; F382-F479 AromaticContact CE1-CE1 3.84Å; F382-F479 HydrophobicContact CE1-CE1 3.84Å; F382-F479 AromaticContact CE1-CZ 3.69Å; F382-F479 HydrophobicContact CE1-CZ 3.69Å; F382-F479 HydrophobicContact CZ-CE1 4.36Å
383	E	98.8	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	165.4	175.9	172.6	122.6	0	0	109.3	I286 E287 E343 P345 V346 K436 L437 V438	I286-E383 VanDerWaalsContact CA-O 3.29Å; I286-E383 WeakPolarHBondContact CA-O 3.42Å; I286-E383 WeakPolarHBondContact CG2-O 3.22Å; E287-E383 PolarHBondContact N-O 3.45Å; E287-E383 PolarHBondContact O-N 3.19Å; E343-E383 VanDerWaalsContact CA-OE1 3.31Å; E343-E383 WeakPolarHBondContact CA-OE1 3.43Å; P345-E383 WeakPolarHBondContact CB-OE2 3.21Å; P345-E383 VanDerWaalsContact CD-OE2 3.3Å; P345-E383 WeakPolarHBondContact CD-OE2 3.25Å; P345-E383 WeakPolarHBondContact CG-OE2 3.5Å; V346-E383 HydrophobicContact CG1-CB 3.38Å; E383-K436 HydrophobicContact CG-CB 4.01Å; E383-K436 WeakPolarHBondContact OE1-CD 3.39Å; E383-L437 CarbonylContact C-O 3.42Å; E383-L437 VanDerWaalsContact CA-O 3.28Å; E383-L437 WeakPolarHBondContact CA-O 3.29Å; E383-V438 HydrophobicContact CB-CG1 4.47Å; E383-V438 HydrophobicContact CB-CG2 4.27Å; E383-V438 HydrophobicContact CG-CG2 4.04Å; E383-V438 WeakPolarHBondContact OE2-CG2 3.35Å
384	A	98.6	Very high	95.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.5	170.8	0	0	0	0	0	109.6	I286 I386 L437 L451 L455 L470	I286-A384 HydrophobicContact CG1-CB 4.25Å; A384-I386 PolarHBondContact O-N 3.06Å; A384-L437 PolarHBondContact N-O 3.44Å; A384-L437 PolarHBondContact O-N 3.11Å; A384-L451 HydrophobicContact CB-CD1 4Å; A384-L455 HydrophobicContact CB-CD2 4.43Å; A384-L470 HydrophobicContact CB-CD1 4.12Å; A384-L470 HydrophobicContact CB-CD2 4.24Å
385	R	98.3	Very high	94.7	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.5	175.9	-58.7	-168.3	-167.7	-162	-2.3	110.5	K284 I285 E287 E343 Y387 M433 N466	K284-R385 WeakPolarHBondContact O-CD 3.21Å; I285-R385 PolarHBondContact O-N 3.32Å; I285-R385 VanDerWaalsContact O-N 3.08Å; E287-R385 IonicContact OE1-CZ 3.76Å; E287-R385 IonicContact OE1-NE 3.8Å; E287-R385 PolarHBondContact OE1-NE 2.82Å; E287-R385 IonicContact OE1-NH2 3.11Å; E287-R385 PolarHBondContact OE1-NH2 2.84Å; E343-R385 IonicContact OE2-CZ 2.81Å; E343-R385 IonicContact OE2-NH2 2.64Å; E343-R385 PolarHBondContact OE2-NH2 3.1Å; R385-Y387 HydrophobicContact CB-CD2 3.84Å; R385-Y387 HydrophobicContact CB-CE2 3.54Å; R385-Y387 HydrophobicContact CG-CE2 4.35Å; R385-Y387 PolarHBondContact O-N 3.33Å; R385-M433 HydrophobicContact CB-SD 4.38Å; R385-M433 HydrophobicContact CG-SD 4.3Å; R385-N466 PolarHBondContact O-ND2 2.87Å; R385-N466 PolarHBondContact O-OD1 3.07Å
386	I	97.8	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.6	176.8	-48.3	-52.5	0	0	0	108	A384 I434 A435 L437 L455 Y458 I460 I467 L470	A384-I386 PolarHBondContact O-N 3.06Å; I386-I434 HydrophobicContact CG2-CB 4.31Å; I386-I434 WeakPolarHBondContact O-CB 3.19Å; I386-I434 PolarHBondContact O-N 2.85Å; I386-A435 HydrophobicContact CB-CB 4.4Å; I386-A435 WeakPolarHBondContact CB-O 3.43Å; I386-A435 HydrophobicContact CG1-CB 4.46Å; I386-A435 PolarHBondContact N-O 2.89Å; I386-A435 PolarHBondContact O-N 2.8Å; I386-L437 HydrophobicContact CD1-CB 4.43Å; I386-L437 HydrophobicContact CG1-CB 4.49Å; I386-L455 HydrophobicContact CD1-CD2 3.8Å; I386-Y458 HydrophobicContact CG1-CE2 4.29Å; I386-Y458 HydrophobicContact CG2-CE1 4.41Å; I386-I460 HydrophobicContact CG2-CD1 4.19Å; I386-I467 HydrophobicContact CD1-CG1 4.32Å; I386-I467 HydrophobicContact CG2-CD1 4.05Å; I386-I467 HydrophobicContact CG2-CG1 3.9Å; I386-L470 HydrophobicContact CD1-CD1 3.6Å
387	Y	96.7	Very high	93.6	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.1	-177.5	-85.3	-72.9	0	0	0	111.5	Q283 R385 E389 D431 P432 M433 T465 N466	Q283-Y387 HydrophobicContact CG-CE2 4.47Å; R385-Y387 HydrophobicContact CB-CD2 3.84Å; R385-Y387 HydrophobicContact CB-CE2 3.54Å; R385-Y387 HydrophobicContact CG-CE2 4.35Å; R385-Y387 PolarHBondContact O-N 3.33Å; Y387-E389 PolarHBondContact O-N 3.24Å; Y387-D431 VanDerWaalsContact CE1-OD1 3.31Å; Y387-D431 WeakPolarHBondContact CE1-OD1 3.15Å; Y387-P432 VanDerWaalsContact CD1-C 3.43Å; Y387-P432 HydrophobicContact CD1-CB 3.92Å; Y387-P432 HydrophobicContact CD1-CG 3.69Å; Y387-P432 HydrophobicContact CE1-CG 3.97Å; Y387-M433 VanDerWaalsContact CD1-CA 3.49Å; Y387-M433 HydrophobicContact CD1-CB 3.93Å; Y387-M433 VanDerWaalsContact CD1-N 3.3Å; Y387-M433 HydrophobicContact CE1-CB 3.47Å; Y387-M433 VanDerWaalsContact CE1-CB 3.47Å; Y387-M433 HydrophobicContact CE1-CG 4.27Å; Y387-T465 VanDerWaalsContact O-CA 3.25Å; Y387-T465 WeakPolarHBondContact O-CA 3.42Å; Y387-N466 PolarHBondContact N-OD1 2.9Å; Y387-N466 PolarHBondContact O-N 2.72Å; Y387-N466 VanDerWaalsContact O-N 3.16Å; Y387-N466 PolarHBondContact O-OD1 3.05Å
388	A	95.4	Very high	93.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-74.1	71.9	161.2	0	0	0	0	0	109.3	P397 G398 V426 P432 I434 L463 H464	A388-P397 CarbonylContact O-C 3.53Å; A388-P397 WeakPolarHBondContact O-CA 3.42Å; A388-G398 PolarHBondContact O-N 3.26Å; A388-V426 HydrophobicContact CB-CG1 4.01Å; A388-V426 HydrophobicContact CB-CG2 4.35Å; A388-P432 HydrophobicContact CB-CB 4.2Å; A388-P432 PolarHBondContact N-O 2.83Å; A388-I434 HydrophobicContact CB-CD1 4.01Å; A388-I434 HydrophobicContact CB-CG1 4.17Å; A388-L463 HydrophobicContact CB-CD1 4.27Å; A388-H464 CarbonylContact C-O 3.42Å; A388-H464 WeakPolarHBondContact CA-O 3.16Å
389	E	93.3	Very high	92.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.8	177.7	-75	177.5	172.2	0	0	109.3	Q283 Y387 P391 M396 P432 H464 T465	Q283-E389 PolarHBondContact NE2-OE1 3.32Å; Y387-E389 PolarHBondContact O-N 3.24Å; E389-P391 VanDerWaalsContact O-CD 3.27Å; E389-P391 WeakPolarHBondContact O-CD 3.42Å; E389-M396 CarbonylContact C-O 3.6Å; E389-M396 WeakPolarHBondContact CA-O 3.47Å; E389-P432 HydrophobicContact CG-CG 4.44Å; E389-H464 PolarHBondContact N-O 3.45Å; E389-H464 CarbonylContact O-C 3.55Å; E389-T465 CarbonylContact O-C 3.5Å; E389-T465 WeakPolarHBondContact O-CA 3.24Å; E389-T465 PolarHBondContact O-N 3.23Å
390	D	90.9	Very high	92.2	Very high	19 Å²	19	19.3 Å²	19.3	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	96.1	172.9	179.8	-5.5	0	0	0	110.7	S392 N393 F395 M396 H464	D390-S392 PolarHBondContact O-N 2.85Å; D390-S392 WeakPolarHBondContact OD1-CB 2.83Å; D390-S392 PolarHBondContact OD1-N 3.25Å; D390-S392 PolarHBondContact OD1-OG 3.35Å; D390-N393 HydrophobicContact CB-CB 4.15Å; D390-N393 CarbonylContact O-C 3.54Å; D390-N393 PolarHBondContact O-N 3.17Å; D390-N393 VanDerWaalsContact O-N 3.09Å; D390-N393 PolarHBondContact OD1-N 3.43Å; D390-N393 WeakPolarHBondContact OD2-CB 3.01Å; D390-F395 WeakPolarHBondContact O-CA 3.44Å; D390-F395 PolarHBondContact O-N 3.21Å; D390-M396 PolarHBondContact N-O 2.64Å; D390-M396 PolarHBondContact O-N 2.81Å; D390-H464 HydrophobicContact CB-CB 3.8Å; D390-H464 IonicContact OD2-CD2 3.23Å
391	P	90.4	Very high	91.8	Very high	14 Å²	14	22 Å²	22	9%	0.091	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57	-33.6	179.8	-25	34.3	0	0	0	113.6	E389 N393 N394 F395 N466 F469 L497	E389-P391 VanDerWaalsContact O-CD 3.27Å; E389-P391 WeakPolarHBondContact O-CD 3.42Å; P391-N393 VanDerWaalsContact C-N 3.27Å; P391-N393 PolarHBondContact O-N 3.27Å; P391-N394 PolarHBondContact O-N 3.45Å; P391-F395 HydrophobicContact CB-CD1 4.08Å; P391-F395 HydrophobicContact CB-CE1 3.75Å; P391-F395 HydrophobicContact CB-CE2 4.31Å; P391-F395 HydrophobicContact CB-CG 4.48Å; P391-F395 HydrophobicContact CB-CZ 3.87Å; P391-F395 HydrophobicContact CG-CD1 4.14Å; P391-F395 HydrophobicContact CG-CE1 3.95Å; P391-N466 HydrophobicContact CG-CB 4.09Å; P391-F469 HydrophobicContact CB-CB 3.99Å; P391-F469 HydrophobicContact CB-CG 4.39Å; P391-F469 HydrophobicContact CG-CB 3.7Å; P391-F469 HydrophobicContact CG-CG 4.38Å; P391-L497 HydrophobicContact CB-CD2 3.5Å
392	S	85.6	Confident	91.6	Very high	107 Å²	107	22 Å²	22	75%	0.748	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-69.9	-27.5	-178.8	77.2	0	0	0	0	112.3	D390	D390-S392 PolarHBondContact O-N 2.85Å; D390-S392 WeakPolarHBondContact OD1-CB 2.83Å; D390-S392 PolarHBondContact OD1-N 3.25Å; D390-S392 PolarHBondContact OD1-OG 3.35Å
393	N	84.8	Confident	91.3	Very high	68 Å²	68	25 Å²	25	36%	0.364	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-105.7	50.7	175.9	-167.8	24.8	0	0	0	111.5	D390 P391 F395 M396	D390-N393 HydrophobicContact CB-CB 4.15Å; D390-N393 CarbonylContact O-C 3.54Å; D390-N393 PolarHBondContact O-N 3.17Å; D390-N393 VanDerWaalsContact O-N 3.09Å; D390-N393 PolarHBondContact OD1-N 3.43Å; D390-N393 WeakPolarHBondContact OD2-CB 3.01Å; P391-N393 VanDerWaalsContact C-N 3.27Å; P391-N393 PolarHBondContact O-N 3.27Å; N393-F395 PolarHBondContact O-N 2.72Å; N393-M396 WeakPolarHBondContact O-CB 3.46Å; N393-M396 PolarHBondContact O-N 2.79Å
394	N	84.9	Confident	91	Very high	78 Å²	78	25.4 Å²	25.4	42%	0.417	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	33.8	175.9	-168.9	33.6	0	0	0	113.5	R281 P391 M396	R281-N394 PolarHBondContact NH2-ND2 2.85Å; R281-N394 PolarHBondContact NH2-OD1 3.46Å; P391-N394 PolarHBondContact O-N 3.45Å; N394-M396 VanDerWaalsContact C-N 3.28Å; N394-M396 PolarHBondContact O-N 2.84Å
395	F	88.4	Confident	90.8	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.022	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	44.8	-179.1	-62.8	-101	0	0	0	111.4	R280 D390 P391 N393 F469 L497	R280-F395 PolarHBondContact NH1-O 3.49Å; D390-F395 WeakPolarHBondContact O-CA 3.44Å; D390-F395 PolarHBondContact O-N 3.21Å; P391-F395 HydrophobicContact CB-CD1 4.08Å; P391-F395 HydrophobicContact CB-CE1 3.75Å; P391-F395 HydrophobicContact CB-CE2 4.31Å; P391-F395 HydrophobicContact CB-CG 4.48Å; P391-F395 HydrophobicContact CB-CZ 3.87Å; P391-F395 HydrophobicContact CG-CD1 4.14Å; P391-F395 HydrophobicContact CG-CE1 3.95Å; N393-F395 PolarHBondContact O-N 2.72Å; F395-F469 AromaticContact CE1-CD1 3.72Å; F395-F469 HydrophobicContact CE1-CD1 3.72Å; F395-F469 HydrophobicContact CE1-CD2 4.25Å; F395-F469 AromaticContact CE1-CE1 3.74Å; F395-F469 HydrophobicContact CE1-CE1 3.74Å; F395-F469 HydrophobicContact CE1-CE2 4.28Å; F395-F469 AromaticContact CE1-CG 3.97Å; F395-F469 HydrophobicContact CE1-CG 3.97Å; F395-F469 HydrophobicContact CE1-CZ 4.03Å; F395-F469 HydrophobicContact CZ-CD1 4.06Å; F395-F469 AromaticContact CZ-CD2 3.82Å; F395-F469 HydrophobicContact CZ-CD2 3.82Å; F395-F469 AromaticContact CZ-CE1 3.85Å; F395-F469 HydrophobicContact CZ-CE1 3.85Å; F395-F469 AromaticContact CZ-CE2 3.61Å; F395-F469 HydrophobicContact CZ-CE2 3.61Å; F395-F469 HydrophobicContact CZ-CG 4.02Å; F395-F469 AromaticContact CZ-CZ 3.64Å; F395-F469 HydrophobicContact CZ-CZ 3.64Å; F395-L497 HydrophobicContact CE2-CD1 4.46Å; F395-L497 HydrophobicContact CE2-CD2 4.34Å; F395-L497 HydrophobicContact CZ-CD2 4.22Å
396	M	85.6	Confident	90.5	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.4	174.8	-168	66.8	67.8	0	0	109.1	E389 D390 N393 N394 P652 M653	E389-M396 CarbonylContact C-O 3.6Å; E389-M396 WeakPolarHBondContact CA-O 3.47Å; D390-M396 PolarHBondContact N-O 2.64Å; D390-M396 PolarHBondContact O-N 2.81Å; N393-M396 WeakPolarHBondContact O-CB 3.46Å; N393-M396 PolarHBondContact O-N 2.79Å; N394-M396 VanDerWaalsContact C-N 3.28Å; N394-M396 PolarHBondContact O-N 2.84Å; M396-P652 HydrophobicContact CE-CB 4.2Å; M396-M653 HydrophobicContact CG-CB 4.11Å; M396-M653 HydrophobicContact CG-CE 4.5Å; M396-M653 HydrophobicContact CG-SD 4.27Å; M396-M653 HydrophobicContact SD-CB 4.32Å; M396-M653 HydrophobicContact SD-CE 4.26Å; M396-M653 HydrophobicContact SD-CG 4.19Å; M396-M653 HydrophobicContact SD-SD 3.44Å
397	P	87.9	Confident	90.3	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139	176.3	-16	26.4	0	0	0	111.4	A388 P432 M653 M680 M682	A388-P397 CarbonylContact O-C 3.53Å; A388-P397 WeakPolarHBondContact O-CA 3.42Å; P397-P432 HydrophobicContact CB-CG 4.37Å; P397-M653 HydrophobicContact CB-CE 3.69Å; P397-M653 HydrophobicContact CG-CE 3.66Å; P397-M653 WeakPolarHBondContact O-CE 3.38Å; P397-M680 HydrophobicContact CB-CB 4.18Å; P397-M680 HydrophobicContact CB-CG 4.21Å; P397-M680 HydrophobicContact CB-SD 3.36Å; P397-M680 WeakPolarHBondContact CB-SD 3.04Å; P397-M680 HydrophobicContact CG-CB 4.46Å; P397-M682 VanDerWaalsContact CD-CE 3.48Å; P397-M682 HydrophobicContact CG-CE 3.68Å; P397-M682 HydrophobicContact CG-CG 4.45Å; P397-M682 HydrophobicContact CG-SD 3.67Å
398	G	85.6	Confident	90.1	Very high	17 Å²	17	29.3 Å²	29.3	18%	0.175	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-103.2	145.1	172.1	0	0	0	0	0	111.2	A388	A388-G398 PolarHBondContact O-N 3.26Å
399	A	88.2	Confident	89.9	Confident	31 Å²	31	39.7 Å²	39.7	26%	0.256	23%	0.225	S	C	.	.			trans	-133.8	144	170.9	0	0	0	0	0	109.4	V426 V428 L463	A399-V426 CarbonylContact C-O 3.53Å; A399-V426 WeakPolarHBondContact CA-O 3.32Å; A399-V426 VanDerWaalsContact CB-O 3.24Å; A399-V426 WeakPolarHBondContact CB-O 3.25Å; A399-V428 HydrophobicContact CB-CB 4.4Å; A399-V428 HydrophobicContact CB-CG1 3.36Å; A399-L463 VanDerWaalsContact O-CD2 3.3Å; A399-L463 WeakPolarHBondContact O-CD2 3.48Å
400	G	88.9	Confident	90	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.7	-171.7	-176.4	0	0	0	0	0	113.9	E425 V426 L463	G400-E425 WeakPolarHBondContact O-CA 3.26Å; G400-E425 WeakPolarHBondContact O-CG 3.44Å; G400-V426 PolarHBondContact N-O 3.21Å; G400-V426 PolarHBondContact O-N 2.99Å; G400-L463 WeakPolarHBondContact O-CD1 3.38Å
401	P	91	Very high	90.2	Very high	70 Å²	70	45 Å²	45	46%	0.455	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.1	-169.2	30.8	-35	0	0	0	112.9	V403 G462	P401-V403 VanDerWaalsContact C-N 3.32Å; P401-V403 HydrophobicContact CB-CG2 4.26Å; P401-V403 HydrophobicContact CG-CG2 4.04Å; P401-V403 PolarHBondContact O-N 3.46Å; P401-G462 WeakPolarHBondContact O-CA 3.39Å
402	L	94.3	Very high	90.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.			trans	-86.2	74.2	168	-61.4	173.3	0	0	0	109.2	H404 L405 V420 G423 D424 V426 I434 I460 L463	L402-H404 VanDerWaalsContact C-N 3.28Å; L402-H404 PolarHBondContact O-N 3.13Å; L402-L405 HydrophobicContact CD1-CD2 4.35Å; L402-V420 HydrophobicContact CD1-CB 3.78Å; L402-V420 HydrophobicContact CD1-CG1 4.37Å; L402-V420 HydrophobicContact CD1-CG2 3.6Å; L402-G423 PolarHBondContact O-N 2.88Å; L402-D424 WeakPolarHBondContact CB-O 3.48Å; L402-D424 PolarHBondContact N-O 3.42Å; L402-V426 HydrophobicContact CD1-CG2 4.32Å; L402-V426 HydrophobicContact CD2-CG2 4.13Å; L402-V426 HydrophobicContact CG-CG2 4.23Å; L402-I434 HydrophobicContact CD2-CD1 4.26Å; L402-I460 HydrophobicContact CD2-CG2 3.83Å; L402-L463 HydrophobicContact CD2-CD1 4.21Å
403	V	92.3	Very high	90.9	Very high	61 Å²	61	46.9 Å²	46.9	37%	0.37	27%	0.273	S	S	.	.	S	Bend	trans	-57.1	-42.4	-175.6	-179	0	0	0	0	111.7	P401 V461 L614	P401-V403 VanDerWaalsContact C-N 3.32Å; P401-V403 HydrophobicContact CB-CG2 4.26Å; P401-V403 HydrophobicContact CG-CG2 4.04Å; P401-V403 PolarHBondContact O-N 3.46Å; V403-V461 PolarHBondContact N-O 3.4Å; V403-L614 HydrophobicContact CB-CD2 4.31Å; V403-L614 HydrophobicContact CG1-CD1 3.96Å; V403-L614 HydrophobicContact CG1-CD2 3.97Å; V403-L614 HydrophobicContact CG2-CD2 4.25Å
404	H	92.7	Very high	91.6	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.6	167.8	-175.7	59.5	0	0	0	109.3	L402 Q422 I460 V461 K610 I612	L402-H404 VanDerWaalsContact C-N 3.28Å; L402-H404 PolarHBondContact O-N 3.13Å; H404-Q422 PolarHBondContact ND1-OE1 2.77Å; H404-I460 CarbonylContact O-C 3.51Å; H404-I460 VanDerWaalsContact O-CA 3.31Å; H404-I460 WeakPolarHBondContact O-CA 3.4Å; H404-V461 HydrophobicContact CB-CB 3.81Å; H404-V461 HydrophobicContact CB-CG2 3.99Å; H404-V461 PolarHBondContact N-O 3.33Å; H404-V461 VanDerWaalsContact N-O 3.13Å; H404-V461 PolarHBondContact O-N 3.26Å; H404-K610 WeakPolarHBondContact NE2-CD 3.27Å; H404-I612 HydrophobicContact CB-CG1 4.44Å
405	L	93.8	Very high	92.2	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	118.7	171.8	172.7	63.7	0	0	0	108.5	L402 T407 V420 Q422 Y458 N459 I460	L402-L405 HydrophobicContact CD1-CD2 4.35Å; L405-T407 HydrophobicContact CD1-CG2 4.29Å; L405-V420 HydrophobicContact CD2-CG2 4.31Å; L405-Q422 HydrophobicContact CB-CB 4.05Å; L405-Y458 HydrophobicContact CD1-CD1 4.45Å; L405-Y458 HydrophobicContact CD1-CE1 3.71Å; L405-N459 WeakPolarHBondContact CA-O 3.49Å; L405-I460 HydrophobicContact CD1-CD1 3.84Å; L405-I460 HydrophobicContact CD1-CG1 3.71Å
406	S	91.8	Very high	92.6	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.2	171.7	176.1	0	0	0	0	109.2	Y458 N459 K610	S406-Y458 WeakPolarHBondContact O-CA 3.49Å; S406-N459 PolarHBondContact N-O 3.34Å; S406-N459 PolarHBondContact O-N 2.87Å; S406-K610 PolarHBondContact OG-NZ 3.31Å
407	T	93.7	Very high	93.2	Very high	57 Å²	57	42.9 Å²	42.9	35%	0.35	25%	0.248	S	C	.	.			trans	-107.5	158.9	-176.1	68.6	0	0	0	0	110	L405 I416 Y458	L405-T407 HydrophobicContact CD1-CG2 4.29Å; T407-I416 HydrophobicContact CG2-CG2 4.44Å; T407-Y458 HydrophobicContact CG2-CE1 3.94Å; T407-Y458 HydrophobicContact CG2-CE2 3.96Å; T407-Y458 WeakPolarHBondContact CG2-OH 3.34Å
408	P	92.9	Very high	93.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.013	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-55.8	150	163.5	26	-34.8	0	0	0	110.3	A410 T414 I416 L437 Q457 Y458	P408-A410 PolarHBondContact O-N 2.94Å; P408-T414 HydrophobicContact CB-CG2 4.44Å; P408-T414 HydrophobicContact CG-CG2 4.43Å; P408-I416 HydrophobicContact CG-CD1 3.72Å; P408-L437 HydrophobicContact CG-CD1 4.01Å; P408-Q457 HydrophobicContact CB-CB 3.97Å; P408-Y458 HydrophobicContact CG-CD2 4.2Å
409	R	91.5	Very high	94.1	Very high	219 Å²	219	43 Å²	43	83%	0.826	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-65.9	126.3	177.5	-174.7	174.8	178.5	169.6	2.5	109.8
410	A	94.3	Very high	94.4	Very high	66 Å²	66	42.7 Å²	42.7	55%	0.545	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.8	139	174.5	0	0	0	0	0	111	P408 T414	P408-A410 PolarHBondContact O-N 2.94Å; A410-T414 CarbonylContact C-O 3.59Å; A410-T414 VanDerWaalsContact CA-O 3.29Å; A410-T414 WeakPolarHBondContact CA-O 3.47Å
411	D	95.4	Very high	94.7	Very high	64 Å²	64	47.4 Å²	47.4	34%	0.342	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-148.9	171.7	178.4	75.8	61.2	0	0	0	109.2	S413 T414 K450	D411-S413 PolarHBondContact O-N 2.84Å; D411-S413 VanDerWaalsContact OD1-CA 3.26Å; D411-S413 WeakPolarHBondContact OD1-CA 3.37Å; D411-S413 WeakPolarHBondContact OD1-CB 3.38Å; D411-S413 PolarHBondContact OD1-N 3.49Å; D411-S413 PolarHBondContact OD1-OG 3.23Å; D411-T414 PolarHBondContact N-O 2.92Å; D411-T414 CarbonylContact O-C 3.51Å; D411-T414 PolarHBondContact O-N 3.02Å; D411-T414 PolarHBondContact OD1-N 2.56Å; D411-T414 WeakPolarHBondContact OD2-CB 3.17Å; D411-T414 PolarHBondContact OD2-OG1 3.47Å; D411-K450 IonicContact OD1-NZ 3.13Å; D411-K450 PolarHBondContact OD1-NZ 3.47Å; D411-K450 IonicContact OD2-NZ 2.81Å; D411-K450 PolarHBondContact OD2-NZ 2.96Å
412	P	94.6	Very high	94.8	Very high	133 Å²	133	48.6 Å²	48.6	86%	0.864	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-15	-178.7	-28.3	36.8	0	0	0	116.1	M349	M349-P412 WeakPolarHBondContact CE-O 3.41Å
413	S	97.3	Very high	94.7	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	5.3	-179.2	52.6	0	0	0	0	113.5	D411 V439 W440 K450	D411-S413 PolarHBondContact O-N 2.84Å; D411-S413 VanDerWaalsContact OD1-CA 3.26Å; D411-S413 WeakPolarHBondContact OD1-CA 3.37Å; D411-S413 WeakPolarHBondContact OD1-CB 3.38Å; D411-S413 PolarHBondContact OD1-N 3.49Å; D411-S413 PolarHBondContact OD1-OG 3.23Å; S413-V439 CarbonylContact O-C 3.58Å; S413-V439 WeakPolarHBondContact O-CA 3.38Å; S413-W440 WeakPolarHBondContact CB-O 3.48Å; S413-W440 PolarHBondContact O-N 3.42Å; S413-K450 VanDerWaalsContact O-CE 3.22Å; S413-K450 WeakPolarHBondContact O-CE 2.94Å; S413-K450 PolarHBondContact OG-NZ 2.97Å
414	T	98.1	Very high	94.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	112.6	171.4	-47.7	0	0	0	0	108.8	P408 A410 D411 L437 V439 K450	P408-T414 HydrophobicContact CB-CG2 4.44Å; P408-T414 HydrophobicContact CG-CG2 4.43Å; A410-T414 CarbonylContact C-O 3.59Å; A410-T414 VanDerWaalsContact CA-O 3.29Å; A410-T414 WeakPolarHBondContact CA-O 3.47Å; D411-T414 PolarHBondContact N-O 2.92Å; D411-T414 CarbonylContact O-C 3.51Å; D411-T414 PolarHBondContact O-N 3.02Å; D411-T414 PolarHBondContact OD1-N 2.56Å; D411-T414 WeakPolarHBondContact OD2-CB 3.17Å; D411-T414 PolarHBondContact OD2-OG1 3.47Å; T414-L437 HydrophobicContact CG2-CD1 4.14Å; T414-V439 HydrophobicContact CG2-CG1 4.4Å; T414-K450 WeakPolarHBondContact OG1-CE 3.3Å; T414-K450 PolarHBondContact OG1-NZ 2.86Å
415	R	97.4	Very high	94.7	Very high	52 Å²	52	55.7 Å²	55.7	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	-175.2	173.4	178.7	-175.6	-176.2	-5.1	110	R63 E348 E417 V438	R63-R415 VanDerWaalsContact CD-NH2 3.25Å; E348-R415 IonicContact OE2-CZ 2.81Å; E348-R415 IonicContact OE2-NH1 3.7Å; E348-R415 PolarHBondContact OE2-NH1 2.84Å; E348-R415 IonicContact OE2-NH2 3.08Å; E348-R415 PolarHBondContact OE2-NH2 2.98Å; R415-E417 HydrophobicContact CG-CG 4.41Å; R415-E417 IonicContact CZ-OE1 3.69Å; R415-E417 IonicContact NE-OE1 3.56Å; R415-E417 PolarHBondContact NE-OE1 2.87Å; R415-E417 IonicContact NH2-OE1 2.53Å; R415-E417 PolarHBondContact NH2-OE1 3.33Å; R415-E417 IonicContact NH2-OE2 3.24Å; R415-V438 HydrophobicContact CB-CB 4.17Å; R415-V438 PolarHBondContact N-O 2.81Å; R415-V438 PolarHBondContact O-N 2.85Å
416	I	97.6	Very high	94.7	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.7	178.8	-49	-62.2	0	0	0	108	T407 P408 T418 A435 L437 Y458	T407-I416 HydrophobicContact CG2-CG2 4.44Å; P408-I416 HydrophobicContact CG-CD1 3.72Å; I416-T418 HydrophobicContact CG2-CG2 4.39Å; I416-A435 HydrophobicContact CG2-CB 4.38Å; I416-L437 HydrophobicContact CD1-CB 4.41Å; I416-L437 HydrophobicContact CD1-CD1 3.31Å; I416-L437 HydrophobicContact CD1-CG 4.44Å; I416-Y458 HydrophobicContact CD1-CE2 4.14Å; I416-Y458 HydrophobicContact CG2-CE2 4.29Å
417	E	97.3	Very high	94.5	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.7	172.9	-65.2	-67.4	138.7	0	0	108	R63 R66 P345 R415 A435 K436	R63-E417 WeakPolarHBondContact CB-OE2 3.29Å; R63-E417 WeakPolarHBondContact CD-OE2 3.43Å; R66-E417 IonicContact CZ-OE2 2.77Å; R66-E417 IonicContact NH2-OE1 3.96Å; R66-E417 PolarHBondContact NH2-OE1 2.81Å; R66-E417 IonicContact NH2-OE2 3.73Å; R66-E417 PolarHBondContact NH2-OE2 3.16Å; P345-E417 HydrophobicContact CG-CG 4.24Å; R415-E417 HydrophobicContact CG-CG 4.41Å; R415-E417 IonicContact CZ-OE1 3.69Å; R415-E417 IonicContact NE-OE1 3.56Å; R415-E417 PolarHBondContact NE-OE1 2.87Å; R415-E417 IonicContact NH2-OE1 2.53Å; R415-E417 PolarHBondContact NH2-OE1 3.33Å; R415-E417 IonicContact NH2-OE2 3.24Å; E417-A435 CarbonylContact O-C 3.55Å; E417-A435 WeakPolarHBondContact O-CA 3.48Å; E417-A435 WeakPolarHBondContact O-CB 3.35Å; E417-K436 HydrophobicContact CB-CB 4.12Å; E417-K436 HydrophobicContact CB-CG 4.5Å; E417-K436 PolarHBondContact N-O 2.8Å; E417-K436 PolarHBondContact O-N 2.89Å
418	T	96.9	Very high	94.2	Very high	18 Å²	18	53.3 Å²	53.3	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.1	-178.6	-171.4	0	0	0	0	111.1	M87 I416 V420 I434	M87-T418 HydrophobicContact SD-CG2 4.39Å; I416-T418 HydrophobicContact CG2-CG2 4.39Å; T418-V420 WeakPolarHBondContact OG1-CG2 3.34Å; T418-V420 PolarHBondContact OG1-N 2.88Å; T418-V420 PolarHBondContact OG1-O 3.47Å; T418-I434 PolarHBondContact OG1-O 3.48Å
419	G	95.3	Very high	93.9	Very high	7 Å²	7	55.8 Å²	55.8	7%	0.072	30%	0.299	C	S	.	.	S	Bend	trans	-124	19.2	171.3	0	0	0	0	0	112.7	M87	M87-G419 VanDerWaalsContact CB-O 3.31Å; M87-G419 WeakPolarHBondContact CB-O 3.16Å
420	V	95.8	Very high	93.8	Very high	25 Å²	25	45.5 Å²	45.5	15%	0.152	26%	0.26	C	S	.	.			trans	-133.4	156.1	177.2	-61.4	0	0	0	0	110.8	L402 L405 T418 D424 I434	L402-V420 HydrophobicContact CD1-CB 3.78Å; L402-V420 HydrophobicContact CD1-CG1 4.37Å; L402-V420 HydrophobicContact CD1-CG2 3.6Å; L405-V420 HydrophobicContact CD2-CG2 4.31Å; T418-V420 WeakPolarHBondContact OG1-CG2 3.34Å; T418-V420 PolarHBondContact OG1-N 2.88Å; T418-V420 PolarHBondContact OG1-O 3.47Å; V420-D424 VanDerWaalsContact CA-OD2 3.31Å; V420-D424 WeakPolarHBondContact CA-OD2 3.39Å; V420-D424 HydrophobicContact CB-CB 4.3Å; V420-I434 HydrophobicContact CG2-CG2 3.66Å
421	R	94.8	Very high	93.6	Very high	107 Å²	107	45.4 Å²	45.4	40%	0.404	25%	0.251	S	S	.	.			trans	-129.2	168.1	173.5	52.4	178.5	171.9	-153.7	-5.5	110.6	N85 D90 G423 D424	N85-R421 PolarHBondContact O-NH2 3.25Å; D90-R421 IonicContact OD2-CZ 2.71Å; D90-R421 IonicContact OD2-NH1 3.87Å; D90-R421 PolarHBondContact OD2-NH1 3.01Å; D90-R421 IonicContact OD2-NH2 2.88Å; D90-R421 PolarHBondContact OD2-NH2 3.01Å; R421-G423 PolarHBondContact O-N 2.86Å; R421-D424 VanDerWaalsContact CG-CG 3.41Å; R421-D424 VanDerWaalsContact CG-OD1 3.28Å; R421-D424 WeakPolarHBondContact CG-OD1 3.4Å; R421-D424 VanDerWaalsContact CG-OD2 3.23Å; R421-D424 WeakPolarHBondContact CG-OD2 3.37Å; R421-D424 PolarHBondContact N-OD2 3.48Å; R421-D424 IonicContact NE-OD1 3.72Å; R421-D424 PolarHBondContact NE-OD1 3.06Å; R421-D424 VanDerWaalsContact O-CB 3.32Å; R421-D424 WeakPolarHBondContact O-CB 3.41Å; R421-D424 PolarHBondContact O-N 3.45Å
422	Q	94.3	Very high	93.4	Very high	95 Å²	95	42.5 Å²	42.5	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	134	172.4	-175.1	174.6	-85.1	0	0	109.8	H404 L405 D424	H404-Q422 PolarHBondContact ND1-OE1 2.77Å; L405-Q422 HydrophobicContact CB-CB 4.05Å; Q422-D424 VanDerWaalsContact C-N 3.34Å
423	G	91.7	Very high	93.4	Very high	60 Å²	60	37.8 Å²	37.8	62%	0.619	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-14.1	-176.2	0	0	0	0	0	115	L402 R421	L402-G423 PolarHBondContact O-N 2.88Å; R421-G423 PolarHBondContact O-N 2.86Å
424	D	94.8	Very high	93.4	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.123	19%	0.193	C	C	.	.			trans	-69.9	165	172	-72.2	-5.1	0	0	0	111.3	L402 V420 R421 Q422	L402-D424 WeakPolarHBondContact CB-O 3.48Å; L402-D424 PolarHBondContact N-O 3.42Å; V420-D424 VanDerWaalsContact CA-OD2 3.31Å; V420-D424 WeakPolarHBondContact CA-OD2 3.39Å; V420-D424 HydrophobicContact CB-CB 4.3Å; R421-D424 VanDerWaalsContact CG-CG 3.41Å; R421-D424 VanDerWaalsContact CG-OD1 3.28Å; R421-D424 WeakPolarHBondContact CG-OD1 3.4Å; R421-D424 VanDerWaalsContact CG-OD2 3.23Å; R421-D424 WeakPolarHBondContact CG-OD2 3.37Å; R421-D424 PolarHBondContact N-OD2 3.48Å; R421-D424 IonicContact NE-OD1 3.72Å; R421-D424 PolarHBondContact NE-OD1 3.06Å; R421-D424 VanDerWaalsContact O-CB 3.32Å; R421-D424 WeakPolarHBondContact O-CB 3.41Å; R421-D424 PolarHBondContact O-N 3.45Å; Q422-D424 VanDerWaalsContact C-N 3.34Å
425	E	90.6	Very high	93.4	Very high	136 Å²	136	36.4 Å²	36.4	64%	0.636	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.4	177.3	-167.5	-176.1	157.9	0	0	111.3	G400 S427	G400-E425 WeakPolarHBondContact O-CA 3.26Å; G400-E425 WeakPolarHBondContact O-CG 3.44Å; E425-S427 PolarHBondContact O-N 2.79Å
426	V	92.7	Very high	93.4	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.073	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	104.2	165.8	-178.2	0	0	0	0	108	A388 A399 G400 L402 I434 L463 M680	A388-V426 HydrophobicContact CB-CG1 4.01Å; A388-V426 HydrophobicContact CB-CG2 4.35Å; A399-V426 CarbonylContact C-O 3.53Å; A399-V426 WeakPolarHBondContact CA-O 3.32Å; A399-V426 VanDerWaalsContact CB-O 3.24Å; A399-V426 WeakPolarHBondContact CB-O 3.25Å; G400-V426 PolarHBondContact N-O 3.21Å; G400-V426 PolarHBondContact O-N 2.99Å; L402-V426 HydrophobicContact CD1-CG2 4.32Å; L402-V426 HydrophobicContact CD2-CG2 4.13Å; L402-V426 HydrophobicContact CG-CG2 4.23Å; V426-I434 HydrophobicContact CG2-CG1 4.33Å; V426-L463 HydrophobicContact CB-CD1 3.78Å; V426-L463 HydrophobicContact CG2-CD1 3.7Å; V426-M680 HydrophobicContact CG1-CE 3.66Å
427	S	88.5	Confident	93.5	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	18%	0.177	C	C	.	.			trans	-76.5	144.8	-177.6	-179	0	0	0	0	113.3	E425 H429	E425-S427 PolarHBondContact O-N 2.79Å; S427-H429 PolarHBondContact O-N 3.32Å; S427-H429 VanDerWaalsContact O-N 3.14Å; S427-H429 PolarHBondContact OG-CD2 2.77Å; S427-H429 VanDerWaalsContact OG-CD2 3.26Å; S427-H429 PolarHBondContact OG-N 3.22Å
428	V	86.6	Confident	93.5	Very high	23 Å²	23	32.7 Å²	32.7	14%	0.139	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.3	173.4	-62.9	0	0	0	0	114.6	A399 Y430 T654 M680	A399-V428 HydrophobicContact CB-CB 4.4Å; A399-V428 HydrophobicContact CB-CG1 3.36Å; V428-Y430 VanDerWaalsContact C-N 3.33Å; V428-Y430 PolarHBondContact O-N 3.28Å; V428-T654 HydrophobicContact CG1-CG2 3.73Å; V428-M680 WeakPolarHBondContact O-CG 3.27Å; V428-M680 PolarHBondContact O-N 2.89Å
429	H	86.4	Confident	93.6	Very high	54 Å²	54	31.8 Å²	31.8	25%	0.25	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.5	-172.7	-65.3	-63.7	0	0	0	113.9	A101 S427	A101-H429 HydrophobicContact CB-CB 4.4Å; A101-H429 WeakPolarHBondContact CB-CD2 3.46Å; A101-H429 WeakPolarHBondContact CB-NE2 3.43Å; S427-H429 PolarHBondContact O-N 3.32Å; S427-H429 VanDerWaalsContact O-N 3.14Å; S427-H429 PolarHBondContact OG-CD2 2.77Å; S427-H429 VanDerWaalsContact OG-CD2 3.26Å; S427-H429 PolarHBondContact OG-N 3.22Å
430	Y	90.4	Very high	93.8	Very high	4 Å²	4	35 Å²	35	2%	0.016	18%	0.181	C	C	.	.	S	Bend	trans	-132.7	-179.4	-169.3	-52	-62.3	0	0	0	113.2	R57 S80 A82 D83 A101 S103 Y107 V428 M680	R57-Y430 VanDerWaalsContact NE-CD2 3.34Å; S80-Y430 WeakPolarHBondContact CB-OH 3.31Å; S80-Y430 PolarHBondContact OG-OH 3.47Å; A82-Y430 HydrophobicContact CB-CE2 4.18Å; D83-Y430 VanDerWaalsContact OD2-CE2 3.28Å; D83-Y430 WeakPolarHBondContact OD2-CE2 3.41Å; A101-Y430 PolarHBondContact O-OH 2.68Å; S103-Y430 WeakPolarHBondContact OG-CE1 3.34Å; Y107-Y430 AromaticContact CD2-CE1 3.91Å; Y107-Y430 HydrophobicContact CD2-CE1 3.91Å; Y107-Y430 AromaticContact CE2-CE1 3.81Å; Y107-Y430 HydrophobicContact CE2-CE1 3.81Å; Y107-Y430 AromaticContact CE2-CZ 3.84Å; V428-Y430 VanDerWaalsContact C-N 3.33Å; V428-Y430 PolarHBondContact O-N 3.28Å; Y430-M680 WeakPolarHBondContact O-CA 3.08Å; Y430-M680 VanDerWaalsContact O-CB 3.25Å; Y430-M680 WeakPolarHBondContact O-CB 3.33Å; Y430-M680 VanDerWaalsContact O-CE 3.3Å; Y430-M680 WeakPolarHBondContact O-CE 3.49Å; Y430-M680 WeakPolarHBondContact O-CG 3.4Å
431	D	88.4	Confident	93.9	Very high	63 Å²	63	34.5 Å²	34.5	34%	0.337	18%	0.18	S	C	.	.			trans	-61.5	139	178.5	-172	-85.7	0	0	0	111.7	Y387 M433	Y387-D431 VanDerWaalsContact CE1-OD1 3.31Å; Y387-D431 WeakPolarHBondContact CE1-OD1 3.15Å; D431-M433 PolarHBondContact O-N 2.87Å; D431-M433 WeakPolarHBondContact OD1-CB 3.25Å; D431-M433 PolarHBondContact OD1-N 2.77Å
432	P	91.9	Very high	94.1	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.026	19%	0.192	C	C	.	.			trans	-76	2.5	-177.3	21.5	-21.2	0	0	0	114.6	Y387 A388 E389 P397 I434 M680	Y387-P432 VanDerWaalsContact CD1-C 3.43Å; Y387-P432 HydrophobicContact CD1-CB 3.92Å; Y387-P432 HydrophobicContact CD1-CG 3.69Å; Y387-P432 HydrophobicContact CE1-CG 3.97Å; A388-P432 HydrophobicContact CB-CB 4.2Å; A388-P432 PolarHBondContact N-O 2.83Å; E389-P432 HydrophobicContact CG-CG 4.44Å; P397-P432 HydrophobicContact CB-CG 4.37Å; P432-I434 PolarHBondContact O-N 3.22Å; P432-M680 HydrophobicContact CB-CE 3.35Å; P432-M680 HydrophobicContact CB-SD 4.02Å; P432-M680 HydrophobicContact CG-CE 4.07Å; P432-M680 HydrophobicContact CG-SD 4.44Å
433	M	95.3	Very high	94.3	Very high	33 Å²	33	32.5 Å²	32.5	16%	0.163	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	118.3	-178.6	-170.1	169.2	60.2	0	0	110.7	E59 Y129 V342 R385 Y387 D431 K436	E59-M433 HydrophobicContact CG-CE 3.9Å; Y129-M433 WeakPolarHBondContact OH-CE 3.07Å; V342-M433 HydrophobicContact CG1-CE 4.03Å; V342-M433 HydrophobicContact CG1-SD 4.26Å; R385-M433 HydrophobicContact CB-SD 4.38Å; R385-M433 HydrophobicContact CG-SD 4.3Å; Y387-M433 VanDerWaalsContact CD1-CA 3.49Å; Y387-M433 HydrophobicContact CD1-CB 3.93Å; Y387-M433 VanDerWaalsContact CD1-N 3.3Å; Y387-M433 HydrophobicContact CE1-CB 3.47Å; Y387-M433 VanDerWaalsContact CE1-CB 3.47Å; Y387-M433 HydrophobicContact CE1-CG 4.27Å; D431-M433 PolarHBondContact O-N 2.87Å; D431-M433 WeakPolarHBondContact OD1-CB 3.25Å; D431-M433 PolarHBondContact OD1-N 2.77Å; M433-K436 HydrophobicContact CE-CD 4.46Å; M433-K436 HydrophobicContact CE-CG 4.43Å; M433-K436 HydrophobicContact SD-CD 4.32Å; M433-K436 HydrophobicContact SD-CG 3.85Å
434	I	96.8	Very high	94.6	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-46.9	176.9	-62.2	176.8	0	0	0	109.4	I386 A388 L402 T418 V420 V426 P432 I460 T465	I386-I434 HydrophobicContact CG2-CB 4.31Å; I386-I434 WeakPolarHBondContact O-CB 3.19Å; I386-I434 PolarHBondContact O-N 2.85Å; A388-I434 HydrophobicContact CB-CD1 4.01Å; A388-I434 HydrophobicContact CB-CG1 4.17Å; L402-I434 HydrophobicContact CD2-CD1 4.26Å; T418-I434 PolarHBondContact OG1-O 3.48Å; V420-I434 HydrophobicContact CG2-CG2 3.66Å; V426-I434 HydrophobicContact CG2-CG1 4.33Å; P432-I434 PolarHBondContact O-N 3.22Å; I434-I460 HydrophobicContact CD1-CD1 3.72Å; I434-I460 HydrophobicContact CG2-CD1 4.04Å; I434-T465 HydrophobicContact CD1-CG2 4.11Å
435	A	97.4	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	167.8	-176	0	0	0	0	0	112.2	I386 I416 E417 Y458	I386-A435 HydrophobicContact CB-CB 4.4Å; I386-A435 WeakPolarHBondContact CB-O 3.43Å; I386-A435 HydrophobicContact CG1-CB 4.46Å; I386-A435 PolarHBondContact N-O 2.89Å; I386-A435 PolarHBondContact O-N 2.8Å; I416-A435 HydrophobicContact CG2-CB 4.38Å; E417-A435 CarbonylContact O-C 3.55Å; E417-A435 WeakPolarHBondContact O-CA 3.48Å; E417-A435 WeakPolarHBondContact O-CB 3.35Å; A435-Y458 WeakPolarHBondContact CB-OH 3.48Å
436	K	98.4	Very high	95.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.2	164.3	-45.6	172.7	-55.4	-166.9	0	108.1	E59 V342 E383 E417 M433	E59-K436 VanDerWaalsContact CD-CE 3.41Å; E59-K436 VanDerWaalsContact CD-NZ 3.29Å; E59-K436 WeakPolarHBondContact OE1-CE 3.36Å; E59-K436 IonicContact OE1-NZ 2.76Å; E59-K436 PolarHBondContact OE1-NZ 3.3Å; E59-K436 WeakPolarHBondContact OE2-CE 3.37Å; E59-K436 IonicContact OE2-NZ 3.88Å; E59-K436 PolarHBondContact OE2-NZ 2.73Å; V342-K436 HydrophobicContact CG1-CD 3.59Å; V342-K436 PolarHBondContact O-NZ 3.01Å; E383-K436 HydrophobicContact CG-CB 4.01Å; E383-K436 WeakPolarHBondContact OE1-CD 3.39Å; E417-K436 HydrophobicContact CB-CB 4.12Å; E417-K436 HydrophobicContact CB-CG 4.5Å; E417-K436 PolarHBondContact N-O 2.8Å; E417-K436 PolarHBondContact O-N 2.89Å; M433-K436 HydrophobicContact CE-CD 4.46Å; M433-K436 HydrophobicContact CE-CG 4.43Å; M433-K436 HydrophobicContact SD-CD 4.32Å; M433-K436 HydrophobicContact SD-CG 3.85Å
437	L	98.6	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.1	173.2	167.5	62.7	0	0	0	108.3	E383 A384 I386 P408 T414 I416 V439 L451 L455	E383-L437 CarbonylContact C-O 3.42Å; E383-L437 VanDerWaalsContact CA-O 3.28Å; E383-L437 WeakPolarHBondContact CA-O 3.29Å; A384-L437 PolarHBondContact N-O 3.44Å; A384-L437 PolarHBondContact O-N 3.11Å; I386-L437 HydrophobicContact CD1-CB 4.43Å; I386-L437 HydrophobicContact CG1-CB 4.49Å; P408-L437 HydrophobicContact CG-CD1 4.01Å; T414-L437 HydrophobicContact CG2-CD1 4.14Å; I416-L437 HydrophobicContact CD1-CB 4.41Å; I416-L437 HydrophobicContact CD1-CD1 3.31Å; I416-L437 HydrophobicContact CD1-CG 4.44Å; L437-V439 HydrophobicContact CD1-CG1 4.22Å; L437-L451 HydrophobicContact CD2-CD1 4.08Å; L437-L451 HydrophobicContact CG-CD1 4.25Å; L437-L455 HydrophobicContact CD2-CB 4.49Å; L437-L455 HydrophobicContact CD2-CD2 3.69Å; L437-L455 HydrophobicContact CD2-CG 3.75Å
438	V	98.7	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129	-177.6	-164.4	0	0	0	0	108.8	P345 V346 M349 F382 E383 R415	P345-V438 HydrophobicContact CB-CB 4.35Å; P345-V438 HydrophobicContact CB-CG1 4Å; P345-V438 HydrophobicContact CB-CG2 3.62Å; P345-V438 HydrophobicContact CG-CG2 4.27Å; V346-V438 HydrophobicContact CG1-CG1 4.15Å; M349-V438 HydrophobicContact CG-CG1 3.78Å; F382-V438 CarbonylContact O-C 3.46Å; F382-V438 VanDerWaalsContact O-CA 3.3Å; F382-V438 WeakPolarHBondContact O-CA 3.2Å; E383-V438 HydrophobicContact CB-CG1 4.47Å; E383-V438 HydrophobicContact CB-CG2 4.27Å; E383-V438 HydrophobicContact CG-CG2 4.04Å; E383-V438 WeakPolarHBondContact OE2-CG2 3.35Å; R415-V438 HydrophobicContact CB-CB 4.17Å; R415-V438 PolarHBondContact N-O 2.81Å; R415-V438 PolarHBondContact O-N 2.85Å
439	V	98.8	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.9	176.5	-60.7	0	0	0	0	110.6	A381 F382 S413 T414 L437 A447 K450 L451	A381-V439 CarbonylContact C-O 3.46Å; A381-V439 WeakPolarHBondContact CA-O 3.3Å; A381-V439 WeakPolarHBondContact CB-O 3.49Å; F382-V439 HydrophobicContact CB-CG2 4Å; F382-V439 PolarHBondContact N-O 2.98Å; F382-V439 PolarHBondContact O-N 2.69Å; S413-V439 CarbonylContact O-C 3.58Å; S413-V439 WeakPolarHBondContact O-CA 3.38Å; T414-V439 HydrophobicContact CG2-CG1 4.4Å; L437-V439 HydrophobicContact CD1-CG1 4.22Å; V439-A447 WeakPolarHBondContact CG2-O 3.46Å; V439-K450 HydrophobicContact CB-CD 4.4Å; V439-K450 HydrophobicContact CB-CG 4.1Å; V439-K450 HydrophobicContact CG1-CG 4.11Å; V439-L451 HydrophobicContact CG2-CB 3.69Å; V439-L451 HydrophobicContact CG2-CD1 4.12Å; V439-L451 HydrophobicContact CG2-CG 4.5Å
440	W	98.8	Very high	96.9	Very high	74 Å²	74	30.6 Å²	30.6	28%	0.28	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.4	175.2	176.8	93.5	0	0	0	111.1	M349 Q378 H380 S413	M349-W440 HydrophobicContact CB-CB 4.13Å; M349-W440 HydrophobicContact CB-CG 4.39Å; M349-W440 HydrophobicContact CE-CB 3.4Å; M349-W440 VanDerWaalsContact CE-CB 3.4Å; M349-W440 HydrophobicContact CE-CG 4.3Å; M349-W440 PolarHBondContact O-NE1 2.77Å; Q378-W440 PolarHBondContact O-NE1 2.85Å; H380-W440 VanDerWaalsContact O-CA 3.32Å; H380-W440 WeakPolarHBondContact O-CA 3.27Å; S413-W440 WeakPolarHBondContact CB-O 3.48Å; S413-W440 PolarHBondContact O-N 3.42Å
441	A	98.6	Very high	97.3	Very high	14 Å²	14	30.4 Å²	30.4	12%	0.116	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	178.3	167.1	0	0	0	0	0	111.2	G379 H380 D443 A446 A447	G379-A441 CarbonylContact C-O 3.53Å; G379-A441 WeakPolarHBondContact CA-O 3.13Å; H380-A441 PolarHBondContact N-O 2.77Å; H380-A441 PolarHBondContact O-N 2.78Å; A441-D443 PolarHBondContact O-N 2.8Å; A441-A446 HydrophobicContact CB-CB 3.59Å; A441-A447 HydrophobicContact CB-CB 3.87Å; A441-A447 VanDerWaalsContact CB-N 3.31Å
442	A	98.1	Very high	97.7	Very high	79 Å²	79	30.1 Å²	30.1	65%	0.653	16%	0.164	S	C	*	.	S	Bend	trans	-65.7	-25.2	-179.1	0	0	0	0	0	113.9	G379	G379-A442 WeakPolarHBondContact CA-O 3.44Å
443	D	98.1	Very high	97.8	Very high	81 Å²	81	35.4 Å²	35.4	43%	0.433	19%	0.185	S	C	.	.	S	Bend	trans	-146.9	166.3	178.1	66.1	74.6	0	0	0	111	A441 Q445 A446 A447	A441-D443 PolarHBondContact O-N 2.8Å; D443-Q445 PolarHBondContact O-N 3.49Å; D443-Q445 WeakPolarHBondContact OD1-CB 3.47Å; D443-Q445 PolarHBondContact OD1-N 3.37Å; D443-A446 PolarHBondContact O-N 3.49Å; D443-A446 PolarHBondContact OD1-N 3.46Å; D443-A447 WeakPolarHBondContact O-CB 2.91Å; D443-A447 PolarHBondContact O-N 2.86Å
444	R	98.3	Very high	97.9	Very high	33 Å²	33	34 Å²	34	13%	0.125	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-43.1	-177.1	-172.6	176.9	-173.5	-88.5	-2.3	113	E288 H380 F382 A447 L448 F479 E480	E288-R444 IonicContact OE1-CZ 3.5Å; E288-R444 IonicContact OE1-NE 2.82Å; E288-R444 PolarHBondContact OE1-NE 3.28Å; E288-R444 IonicContact OE1-NH2 3.94Å; E288-R444 PolarHBondContact OE1-NH2 2.77Å; E288-R444 IonicContact OE2-CZ 2.67Å; E288-R444 IonicContact OE2-NE 3.86Å; E288-R444 PolarHBondContact OE2-NE 3.5Å; E288-R444 IonicContact OE2-NH2 2.81Å; H380-R444 HydrophobicContact CB-CB 4.37Å; F382-R444 HydrophobicContact CE2-CG 3.88Å; F382-R444 WeakPolarHBondContact CE2-O 3.4Å; F382-R444 HydrophobicContact CZ-CG 3.67Å; R444-A447 PolarHBondContact O-N 2.94Å; R444-L448 WeakPolarHBondContact O-CB 3.24Å; R444-L448 PolarHBondContact O-N 3.27Å; R444-F479 PolarHBondContact NH1-O 2.96Å; R444-F479 PolarHBondContact NH2-O 3.42Å; R444-E480 PolarHBondContact NH1-O 2.9Å
445	Q	98.1	Very high	97.8	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.439	18%	0.177	S	C	.	.	H	α-helix	trans	-68.1	-41	-176.3	-173.2	62	37.8	0	0	111.2	D443 L448 T449	D443-Q445 PolarHBondContact O-N 3.49Å; D443-Q445 WeakPolarHBondContact OD1-CB 3.47Å; D443-Q445 PolarHBondContact OD1-N 3.37Å; Q445-L448 PolarHBondContact O-N 2.82Å; Q445-T449 WeakPolarHBondContact O-CB 3.21Å; Q445-T449 PolarHBondContact O-N 2.81Å; Q445-T449 PolarHBondContact O-OG1 3.32Å
446	A	98.4	Very high	97.6	Very high	38 Å²	38	38.2 Å²	38.2	31%	0.314	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-42.3	174	0	0	0	0	0	111.3	A441 D443 L448 T449 K450	A441-A446 HydrophobicContact CB-CB 3.59Å; D443-A446 PolarHBondContact O-N 3.49Å; D443-A446 PolarHBondContact OD1-N 3.46Å; A446-L448 VanDerWaalsContact C-N 3.34Å; A446-L448 PolarHBondContact O-N 3.4Å; A446-T449 PolarHBondContact O-N 3.11Å; A446-K450 WeakPolarHBondContact O-CB 3.27Å; A446-K450 PolarHBondContact O-N 3.41Å
447	A	98.6	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-39.9	177.8	0	0	0	0	0	111.1	H380 F382 V439 A441 D443 R444 K450 L451	H380-A447 HydrophobicContact CB-CB 4.28Å; H380-A447 WeakPolarHBondContact O-CB 3.41Å; F382-A447 HydrophobicContact CD2-CB 3.71Å; F382-A447 HydrophobicContact CE2-CB 3.96Å; V439-A447 WeakPolarHBondContact CG2-O 3.46Å; A441-A447 HydrophobicContact CB-CB 3.87Å; A441-A447 VanDerWaalsContact CB-N 3.31Å; D443-A447 WeakPolarHBondContact O-CB 2.91Å; D443-A447 PolarHBondContact O-N 2.86Å; R444-A447 PolarHBondContact O-N 2.94Å; A447-K450 PolarHBondContact O-N 3.11Å; A447-L451 PolarHBondContact O-N 3.23Å
448	L	98.3	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-43.1	176.9	-173.4	54.1	0	0	0	112.3	F382 R444 Q445 A446 K450 L451 R452 S474 F479 E480	F382-L448 HydrophobicContact CD2-CB 4.47Å; F382-L448 HydrophobicContact CE2-CB 3.81Å; F382-L448 HydrophobicContact CE2-CD1 4.36Å; F382-L448 HydrophobicContact CZ-CB 4.29Å; F382-L448 HydrophobicContact CZ-CD1 4.32Å; R444-L448 WeakPolarHBondContact O-CB 3.24Å; R444-L448 PolarHBondContact O-N 3.27Å; Q445-L448 PolarHBondContact O-N 2.82Å; A446-L448 VanDerWaalsContact C-N 3.34Å; A446-L448 PolarHBondContact O-N 3.4Å; L448-K450 PolarHBondContact O-N 2.94Å; L448-L451 HydrophobicContact CD1-CD2 4.23Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 3.03Å; L448-R452 VanDerWaalsContact O-CG 3.3Å; L448-R452 WeakPolarHBondContact O-CG 3.39Å; L448-R452 PolarHBondContact O-N 3Å; L448-S474 WeakPolarHBondContact CD1-O 3.36Å; L448-F479 HydrophobicContact CD1-CD1 4.11Å; L448-F479 HydrophobicContact CD1-CE1 3.68Å; L448-F479 HydrophobicContact CD2-CD1 4.23Å; L448-F479 HydrophobicContact CD2-CE1 4.4Å; L448-E480 HydrophobicContact CD2-CB 4.31Å; L448-E480 HydrophobicContact CD2-CG 3.8Å
449	T	97.6	Very high	96.8	Very high	80 Å²	80	41.9 Å²	41.9	49%	0.491	21%	0.211	S	C	.	.	H	α-helix	trans	-58	-42.8	173.3	-58.9	0	0	0	0	110.6	Q445 A446 Y453	Q445-T449 WeakPolarHBondContact O-CB 3.21Å; Q445-T449 PolarHBondContact O-N 2.81Å; Q445-T449 PolarHBondContact O-OG1 3.32Å; A446-T449 PolarHBondContact O-N 3.11Å; T449-Y453 WeakPolarHBondContact O-CB 3.4Å; T449-Y453 PolarHBondContact O-N 2.9Å
450	K	97.7	Very high	96.5	Very high	43 Å²	43	42.6 Å²	42.6	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-41.4	176.9	-174.7	165	177.1	150.4	0	112.5	D411 S413 T414 V439 A446 A447 L448 R452 Y453 S454	D411-K450 IonicContact OD1-NZ 3.13Å; D411-K450 PolarHBondContact OD1-NZ 3.47Å; D411-K450 IonicContact OD2-NZ 2.81Å; D411-K450 PolarHBondContact OD2-NZ 2.96Å; S413-K450 VanDerWaalsContact O-CE 3.22Å; S413-K450 WeakPolarHBondContact O-CE 2.94Å; S413-K450 PolarHBondContact OG-NZ 2.97Å; T414-K450 WeakPolarHBondContact OG1-CE 3.3Å; T414-K450 PolarHBondContact OG1-NZ 2.86Å; V439-K450 HydrophobicContact CB-CD 4.4Å; V439-K450 HydrophobicContact CB-CG 4.1Å; V439-K450 HydrophobicContact CG1-CG 4.11Å; A446-K450 WeakPolarHBondContact O-CB 3.27Å; A446-K450 PolarHBondContact O-N 3.41Å; A447-K450 PolarHBondContact O-N 3.11Å; L448-K450 PolarHBondContact O-N 2.94Å; K450-R452 VanDerWaalsContact C-N 3.32Å; K450-R452 PolarHBondContact O-N 2.72Å; K450-Y453 PolarHBondContact O-N 3.01Å; K450-S454 WeakPolarHBondContact O-CB 3.42Å; K450-S454 PolarHBondContact O-N 2.67Å; K450-S454 PolarHBondContact O-OG 2.93Å
451	L	98.3	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.8	-50.5	175.5	179.7	65.2	0	0	0	110.2	I286 F382 A384 L437 V439 A447 L448 Y453 S454 L455	I286-L451 HydrophobicContact CD1-CD2 4.36Å; F382-L451 HydrophobicContact CB-CD1 4.41Å; F382-L451 HydrophobicContact CB-CD2 3.9Å; F382-L451 HydrophobicContact CB-CG 4.5Å; F382-L451 HydrophobicContact CD1-CD2 4.47Å; F382-L451 HydrophobicContact CG-CD2 4.17Å; A384-L451 HydrophobicContact CB-CD1 4Å; L437-L451 HydrophobicContact CD2-CD1 4.08Å; L437-L451 HydrophobicContact CG-CD1 4.25Å; V439-L451 HydrophobicContact CG2-CB 3.69Å; V439-L451 HydrophobicContact CG2-CD1 4.12Å; V439-L451 HydrophobicContact CG2-CG 4.5Å; A447-L451 PolarHBondContact O-N 3.23Å; L448-L451 HydrophobicContact CD1-CD2 4.23Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 3.03Å; L451-Y453 PolarHBondContact O-N 2.93Å; L451-S454 PolarHBondContact O-N 3.03Å; L451-L455 HydrophobicContact CD1-CD1 4.35Å; L451-L455 HydrophobicContact CD1-CG 4.4Å; L451-L455 HydrophobicContact CG-CD1 4Å; L451-L455 HydrophobicContact CG-CG 4.46Å; L451-L455 WeakPolarHBondContact O-CB 3.37Å; L451-L455 WeakPolarHBondContact O-CG 3.29Å; L451-L455 PolarHBondContact O-N 2.84Å
452	R	96.5	Very high	95.7	Very high	57 Å²	57	40.1 Å²	40.1	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178.9	-68	168.7	62.8	68.3	-10.3	111.6	L448 K450 S454 L455 R456 L471 S474	L448-R452 VanDerWaalsContact O-CG 3.3Å; L448-R452 WeakPolarHBondContact O-CG 3.39Å; L448-R452 PolarHBondContact O-N 3Å; K450-R452 VanDerWaalsContact C-N 3.32Å; K450-R452 PolarHBondContact O-N 2.72Å; R452-S454 VanDerWaalsContact C-N 3.33Å; R452-S454 PolarHBondContact O-N 2.82Å; R452-L455 PolarHBondContact O-N 3.37Å; R452-R456 WeakPolarHBondContact O-CG 3.28Å; R452-R456 PolarHBondContact O-N 2.89Å; R452-L471 PolarHBondContact NH1-O 2.83Å; R452-S474 WeakPolarHBondContact CG-OG 3.24Å; R452-S474 PolarHBondContact NH1-OG 2.9Å
453	Y	94.8	Very high	95.3	Very high	116 Å²	116	37.7 Å²	37.7	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-61.6	-39.9	176.5	178.4	-105.6	0	0	0	112.8	T449 K450 L451 Q457	T449-Y453 WeakPolarHBondContact O-CB 3.4Å; T449-Y453 PolarHBondContact O-N 2.9Å; K450-Y453 PolarHBondContact O-N 3.01Å; L451-Y453 PolarHBondContact O-N 2.93Å; Y453-Q457 VanDerWaalsContact CD1-NE2 3.27Å; Y453-Q457 PolarHBondContact O-NE2 3.41Å; Y453-Q457 VanDerWaalsContact O-NE2 3.16Å
454	S	96.4	Very high	95	Very high	2 Å²	2	38 Å²	38	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-72.9	-38.8	178.8	-67.4	0	0	0	0	112.5	K450 L451 R452 R456 Q457 Y458	K450-S454 WeakPolarHBondContact O-CB 3.42Å; K450-S454 PolarHBondContact O-N 2.67Å; K450-S454 PolarHBondContact O-OG 2.93Å; L451-S454 PolarHBondContact O-N 3.03Å; R452-S454 VanDerWaalsContact C-N 3.33Å; R452-S454 PolarHBondContact O-N 2.82Å; S454-R456 VanDerWaalsContact C-N 3.34Å; S454-R456 PolarHBondContact O-N 2.81Å; S454-Q457 PolarHBondContact O-N 2.77Å; S454-Y458 PolarHBondContact O-N 3.02Å
455	L	95.7	Very high	94.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-41	175.9	-78.4	169.6	0	0	0	112.1	A384 I386 L437 L451 R452 Q457 Y458 L470 L471	A384-L455 HydrophobicContact CB-CD2 4.43Å; I386-L455 HydrophobicContact CD1-CD2 3.8Å; L437-L455 HydrophobicContact CD2-CB 4.49Å; L437-L455 HydrophobicContact CD2-CD2 3.69Å; L437-L455 HydrophobicContact CD2-CG 3.75Å; L451-L455 HydrophobicContact CD1-CD1 4.35Å; L451-L455 HydrophobicContact CD1-CG 4.4Å; L451-L455 HydrophobicContact CG-CD1 4Å; L451-L455 HydrophobicContact CG-CG 4.46Å; L451-L455 WeakPolarHBondContact O-CB 3.37Å; L451-L455 WeakPolarHBondContact O-CG 3.29Å; L451-L455 PolarHBondContact O-N 2.84Å; R452-L455 PolarHBondContact O-N 3.37Å; L455-Q457 PolarHBondContact O-N 2.82Å; L455-Y458 VanDerWaalsContact O-CB 3.32Å; L455-Y458 WeakPolarHBondContact O-CB 3.34Å; L455-Y458 PolarHBondContact O-N 3.32Å; L455-L470 HydrophobicContact CD1-CB 3.9Å; L455-L470 HydrophobicContact CD2-CB 4.14Å; L455-L470 HydrophobicContact CD2-CD1 4.06Å; L455-L471 HydrophobicContact CB-CD2 3.55Å; L455-L471 HydrophobicContact CB-CG 3.92Å; L455-L471 HydrophobicContact CD1-CD2 4.16Å; L455-L471 HydrophobicContact CD1-CG 4.36Å
456	R	92.9	Very high	94.7	Very high	92 Å²	92	33.3 Å²	33.3	35%	0.347	17%	0.169	S	C	.	.	H	α-helix	trans	-65.3	-23.2	178	-64.2	-174.2	-166.3	165.6	-1.1	114	R452 S454 N459 L471 K623	R452-R456 WeakPolarHBondContact O-CG 3.28Å; R452-R456 PolarHBondContact O-N 2.89Å; S454-R456 VanDerWaalsContact C-N 3.34Å; S454-R456 PolarHBondContact O-N 2.81Å; R456-N459 PolarHBondContact O-ND2 3.5Å; R456-L471 HydrophobicContact CG-CD1 4.03Å; R456-L471 HydrophobicContact CG-CD2 3.7Å; R456-K623 WeakPolarHBondContact CD-O 3.19Å; R456-K623 PolarHBondContact NH1-O 3.36Å
457	Q	91.9	Very high	94.5	Very high	59 Å²	59	32 Å²	32	28%	0.276	16%	0.157	S	C	.	.	H	α-helix	trans	-86.4	-11	175.3	-73.6	172.7	73.7	0	0	112.9	P408 Y453 S454 L455 N459	P408-Q457 HydrophobicContact CB-CB 3.97Å; Y453-Q457 VanDerWaalsContact CD1-NE2 3.27Å; Y453-Q457 PolarHBondContact O-NE2 3.41Å; Y453-Q457 VanDerWaalsContact O-NE2 3.16Å; S454-Q457 PolarHBondContact O-N 2.77Å; L455-Q457 PolarHBondContact O-N 2.82Å; Q457-N459 PolarHBondContact O-N 2.92Å
458	Y	93	Very high	94.1	Very high	6 Å²	6	36 Å²	36	2%	0.024	18%	0.178	C	C	.	.			trans	-79.6	108.9	175.6	-137.8	-64.6	0	0	0	108.3	I386 L405 S406 T407 P408 I416 A435 S454 L455 I460 I467	I386-Y458 HydrophobicContact CG1-CE2 4.29Å; I386-Y458 HydrophobicContact CG2-CE1 4.41Å; L405-Y458 HydrophobicContact CD1-CD1 4.45Å; L405-Y458 HydrophobicContact CD1-CE1 3.71Å; S406-Y458 WeakPolarHBondContact O-CA 3.49Å; T407-Y458 HydrophobicContact CG2-CE1 3.94Å; T407-Y458 HydrophobicContact CG2-CE2 3.96Å; T407-Y458 WeakPolarHBondContact CG2-OH 3.34Å; P408-Y458 HydrophobicContact CG-CD2 4.2Å; I416-Y458 HydrophobicContact CD1-CE2 4.14Å; I416-Y458 HydrophobicContact CG2-CE2 4.29Å; A435-Y458 WeakPolarHBondContact CB-OH 3.48Å; S454-Y458 PolarHBondContact O-N 3.02Å; L455-Y458 VanDerWaalsContact O-CB 3.32Å; L455-Y458 WeakPolarHBondContact O-CB 3.34Å; L455-Y458 PolarHBondContact O-N 3.32Å; Y458-I460 HydrophobicContact CD1-CD1 3.96Å; Y458-I460 HydrophobicContact CD1-CG1 3.98Å; Y458-I460 HydrophobicContact CE1-CD1 3.79Å; Y458-I460 HydrophobicContact CE1-CG1 4.16Å; Y458-I467 HydrophobicContact CD1-CD1 3.95Å; Y458-I467 HydrophobicContact CG-CD1 4.32Å
459	N	93.2	Very high	94	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.7	-173.1	-52.2	150.6	0	0	0	109.1	L405 S406 R456 Q457 K610 F621	L405-N459 WeakPolarHBondContact CA-O 3.49Å; S406-N459 PolarHBondContact N-O 3.34Å; S406-N459 PolarHBondContact O-N 2.87Å; R456-N459 PolarHBondContact O-ND2 3.5Å; Q457-N459 PolarHBondContact O-N 2.92Å; N459-K610 PolarHBondContact OD1-NZ 3.22Å; N459-F621 HydrophobicContact CB-CB 4.39Å; N459-F621 HydrophobicContact CB-CD1 3.64Å; N459-F621 HydrophobicContact CB-CD2 4.01Å; N459-F621 HydrophobicContact CB-CE1 3.83Å; N459-F621 HydrophobicContact CB-CE2 4.15Å; N459-F621 HydrophobicContact CB-CG 3.75Å; N459-F621 HydrophobicContact CB-CZ 4.08Å; N459-F621 VanDerWaalsContact CG-CD1 3.49Å; N459-F621 VanDerWaalsContact CG-CG 3.44Å; N459-F621 VanDerWaalsContact ND2-CD1 3.26Å; N459-F621 WeakPolarHBondContact ND2-CD1 3.36Å; N459-F621 WeakPolarHBondContact OD1-CB 3.22Å
460	I	93.6	Very high	93.9	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.6	-178.8	-53.2	-169.3	0	0	0	108.7	I386 L402 H404 L405 I434 Y458 T465 I467	I386-I460 HydrophobicContact CG2-CD1 4.19Å; L402-I460 HydrophobicContact CD2-CG2 3.83Å; H404-I460 CarbonylContact O-C 3.51Å; H404-I460 VanDerWaalsContact O-CA 3.31Å; H404-I460 WeakPolarHBondContact O-CA 3.4Å; L405-I460 HydrophobicContact CD1-CD1 3.84Å; L405-I460 HydrophobicContact CD1-CG1 3.71Å; I434-I460 HydrophobicContact CD1-CD1 3.72Å; I434-I460 HydrophobicContact CG2-CD1 4.04Å; Y458-I460 HydrophobicContact CD1-CD1 3.96Å; Y458-I460 HydrophobicContact CD1-CG1 3.98Å; Y458-I460 HydrophobicContact CE1-CD1 3.79Å; Y458-I460 HydrophobicContact CE1-CG1 4.16Å; I460-T465 HydrophobicContact CB-CG2 4.02Å; I460-T465 HydrophobicContact CD1-CG2 4.03Å; I460-T465 HydrophobicContact CG1-CG2 4.49Å; I460-T465 HydrophobicContact CG2-CG2 4.02Å; I460-I467 HydrophobicContact CD1-CD1 4.07Å; I460-I467 HydrophobicContact CG1-CD1 4.08Å
461	V	92.6	Very high	93.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	171.4	-177.8	0	0	0	0	108.6	V403 H404 I612 L614 Y619 F621	V403-V461 PolarHBondContact N-O 3.4Å; H404-V461 HydrophobicContact CB-CB 3.81Å; H404-V461 HydrophobicContact CB-CG2 3.99Å; H404-V461 PolarHBondContact N-O 3.33Å; H404-V461 VanDerWaalsContact N-O 3.13Å; H404-V461 PolarHBondContact O-N 3.26Å; V461-I612 HydrophobicContact CG2-CB 4.47Å; V461-I612 HydrophobicContact CG2-CG2 4.33Å; V461-L614 HydrophobicContact CG1-CD2 3.86Å; V461-Y619 HydrophobicContact CG1-CD2 3.83Å; V461-Y619 HydrophobicContact CG1-CE1 4.28Å; V461-Y619 HydrophobicContact CG1-CE2 3.52Å; V461-Y619 HydrophobicContact CG1-CG 4.34Å; V461-Y619 HydrophobicContact CG2-CD1 4.1Å; V461-Y619 HydrophobicContact CG2-CD2 4.06Å; V461-Y619 HydrophobicContact CG2-CG 3.86Å; V461-F621 HydrophobicContact CG2-CE2 3.86Å; V461-F621 HydrophobicContact CG2-CZ 3.67Å
462	G	88.8	Confident	93.5	Very high	35 Å²	35	34 Å²	34	36%	0.361	17%	0.167	S	C	.	.	S	Bend	trans	117.6	-24.5	-180	0	0	0	0	0	113.3	P401	P401-G462 WeakPolarHBondContact O-CA 3.39Å
463	L	89.6	Confident	93.5	Very high	29 Å²	29	31.3 Å²	31.3	15%	0.152	16%	0.156	C	C	.	.	S	Bend	trans	-142.2	153.7	176.8	-65.9	172.1	0	0	0	111.2	A388 A399 G400 L402 V426	A388-L463 HydrophobicContact CB-CD1 4.27Å; A399-L463 VanDerWaalsContact O-CD2 3.3Å; A399-L463 WeakPolarHBondContact O-CD2 3.48Å; G400-L463 WeakPolarHBondContact O-CD1 3.38Å; L402-L463 HydrophobicContact CD2-CD1 4.21Å; V426-L463 HydrophobicContact CB-CD1 3.78Å; V426-L463 HydrophobicContact CG2-CD1 3.7Å
464	H	90.4	Very high	93.6	Very high	87 Å²	87	25.8 Å²	25.8	40%	0.403	14%	0.135	S	C	.	.			trans	-69.4	145.4	165.9	-62.3	-66.4	0	0	0	110.2	A388 E389 D390	A388-H464 CarbonylContact C-O 3.42Å; A388-H464 WeakPolarHBondContact CA-O 3.16Å; E389-H464 PolarHBondContact N-O 3.45Å; E389-H464 CarbonylContact O-C 3.55Å; D390-H464 HydrophobicContact CB-CB 3.8Å; D390-H464 IonicContact OD2-CD2 3.23Å
465	T	94.5	Very high	93.5	Very high	29 Å²	29	26.8 Å²	26.8	18%	0.178	15%	0.145	C	C	.	.			trans	-136.9	162.4	-179.4	69.6	0	0	0	0	111.1	Y387 E389 I434 I460 I467	Y387-T465 VanDerWaalsContact O-CA 3.25Å; Y387-T465 WeakPolarHBondContact O-CA 3.42Å; E389-T465 CarbonylContact O-C 3.5Å; E389-T465 WeakPolarHBondContact O-CA 3.24Å; E389-T465 PolarHBondContact O-N 3.23Å; I434-T465 HydrophobicContact CD1-CG2 4.11Å; I460-T465 HydrophobicContact CB-CG2 4.02Å; I460-T465 HydrophobicContact CD1-CG2 4.03Å; I460-T465 HydrophobicContact CG1-CG2 4.49Å; I460-T465 HydrophobicContact CG2-CG2 4.02Å; T465-I467 VanDerWaalsContact C-N 3.29Å; T465-I467 PolarHBondContact O-N 3.18Å
466	N	95.3	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-84.6	9.2	176.4	72.5	-20.5	0	0	0	114.4	R385 Y387 P391 D468 F469 L470	R385-N466 PolarHBondContact O-ND2 2.87Å; R385-N466 PolarHBondContact O-OD1 3.07Å; Y387-N466 PolarHBondContact N-OD1 2.9Å; Y387-N466 PolarHBondContact O-N 2.72Å; Y387-N466 VanDerWaalsContact O-N 3.16Å; Y387-N466 PolarHBondContact O-OD1 3.05Å; P391-N466 HydrophobicContact CG-CB 4.09Å; N466-D468 PolarHBondContact O-N 3.41Å; N466-F469 WeakPolarHBondContact O-CB 3.44Å; N466-F469 PolarHBondContact O-N 3.14Å; N466-F469 VanDerWaalsContact O-N 3.15Å; N466-L470 WeakPolarHBondContact O-CG 3.46Å; N466-L470 PolarHBondContact O-N 2.82Å
467	I	94.4	Very high	93.8	Very high	10 Å²	10	27 Å²	27	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-46.3	-172.7	-66.1	167.1	0	0	0	112.1	I386 Y458 I460 T465 F469 L470 L471	I386-I467 HydrophobicContact CD1-CG1 4.32Å; I386-I467 HydrophobicContact CG2-CD1 4.05Å; I386-I467 HydrophobicContact CG2-CG1 3.9Å; Y458-I467 HydrophobicContact CD1-CD1 3.95Å; Y458-I467 HydrophobicContact CG-CD1 4.32Å; I460-I467 HydrophobicContact CD1-CD1 4.07Å; I460-I467 HydrophobicContact CG1-CD1 4.08Å; T465-I467 VanDerWaalsContact C-N 3.29Å; T465-I467 PolarHBondContact O-N 3.18Å; I467-F469 VanDerWaalsContact C-N 3.3Å; I467-F469 PolarHBondContact O-N 2.98Å; I467-L470 WeakPolarHBondContact O-CB 3.3Å; I467-L470 PolarHBondContact O-N 2.95Å; I467-L470 VanDerWaalsContact O-N 3.17Å; I467-L471 HydrophobicContact CG2-CD1 4.38Å; I467-L471 PolarHBondContact O-N 3.43Å
468	D	91.5	Very high	94	Very high	83 Å²	83	27.7 Å²	27.7	44%	0.444	16%	0.16	S	C	.	.	H	α-helix	trans	-65.4	-35.7	178.4	-73.4	-24.5	0	0	0	111.9	N466 L471 N472	N466-D468 PolarHBondContact O-N 3.41Å; D468-L471 WeakPolarHBondContact O-CB 3.15Å; D468-L471 PolarHBondContact O-N 3.23Å; D468-N472 PolarHBondContact O-N 3.45Å; D468-N472 PolarHBondContact O-ND2 3.31Å
469	F	94.8	Very high	94.3	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.022	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-43.2	172.8	169.6	-102.5	0	0	0	111.4	I285 P391 F395 N466 I467 L471 N472 L473 I489 L496 L497	I285-F469 HydrophobicContact CG2-CE1 3.94Å; P391-F469 HydrophobicContact CB-CB 3.99Å; P391-F469 HydrophobicContact CB-CG 4.39Å; P391-F469 HydrophobicContact CG-CB 3.7Å; P391-F469 HydrophobicContact CG-CG 4.38Å; F395-F469 AromaticContact CE1-CD1 3.72Å; F395-F469 HydrophobicContact CE1-CD1 3.72Å; F395-F469 HydrophobicContact CE1-CD2 4.25Å; F395-F469 AromaticContact CE1-CE1 3.74Å; F395-F469 HydrophobicContact CE1-CE1 3.74Å; F395-F469 HydrophobicContact CE1-CE2 4.28Å; F395-F469 AromaticContact CE1-CG 3.97Å; F395-F469 HydrophobicContact CE1-CG 3.97Å; F395-F469 HydrophobicContact CE1-CZ 4.03Å; F395-F469 HydrophobicContact CZ-CD1 4.06Å; F395-F469 AromaticContact CZ-CD2 3.82Å; F395-F469 HydrophobicContact CZ-CD2 3.82Å; F395-F469 AromaticContact CZ-CE1 3.85Å; F395-F469 HydrophobicContact CZ-CE1 3.85Å; F395-F469 AromaticContact CZ-CE2 3.61Å; F395-F469 HydrophobicContact CZ-CE2 3.61Å; F395-F469 HydrophobicContact CZ-CG 4.02Å; F395-F469 AromaticContact CZ-CZ 3.64Å; F395-F469 HydrophobicContact CZ-CZ 3.64Å; N466-F469 WeakPolarHBondContact O-CB 3.44Å; N466-F469 PolarHBondContact O-N 3.14Å; N466-F469 VanDerWaalsContact O-N 3.15Å; I467-F469 VanDerWaalsContact C-N 3.3Å; I467-F469 PolarHBondContact O-N 2.98Å; F469-L471 VanDerWaalsContact C-N 3.32Å; F469-L471 PolarHBondContact O-N 2.9Å; F469-N472 PolarHBondContact O-N 2.92Å; F469-L473 HydrophobicContact CE1-CD1 3.86Å; F469-L473 HydrophobicContact CZ-CD1 3.85Å; F469-L473 VanDerWaalsContact O-CB 3.25Å; F469-L473 WeakPolarHBondContact O-CB 3.38Å; F469-L473 PolarHBondContact O-N 3.14Å; F469-I489 HydrophobicContact CE1-CD1 4.28Å; F469-I489 HydrophobicContact CZ-CD1 3.85Å; F469-I489 HydrophobicContact CZ-CG1 4.07Å; F469-I489 HydrophobicContact CZ-CG2 4.06Å; F469-L496 HydrophobicContact CD2-CB 4.05Å; F469-L496 HydrophobicContact CE2-CB 3.64Å; F469-L496 HydrophobicContact CE2-CD1 3.95Å; F469-L496 HydrophobicContact CE2-CG 4.36Å; F469-L496 HydrophobicContact CZ-CD1 4.31Å; F469-L497 HydrophobicContact CD2-CD2 3.81Å; F469-L497 HydrophobicContact CE2-CD2 4.35Å
470	L	96.1	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-36.9	174.8	-65.7	167	0	0	0	112	I285 I286 A384 I386 L455 N466 I467 S474	I285-L470 HydrophobicContact CG2-CD2 3.45Å; I285-L470 VanDerWaalsContact CG2-CD2 3.45Å; I286-L470 HydrophobicContact CD1-CD2 3.92Å; I286-L470 HydrophobicContact CG1-CD2 3.66Å; A384-L470 HydrophobicContact CB-CD1 4.12Å; A384-L470 HydrophobicContact CB-CD2 4.24Å; I386-L470 HydrophobicContact CD1-CD1 3.6Å; L455-L470 HydrophobicContact CD1-CB 3.9Å; L455-L470 HydrophobicContact CD2-CB 4.14Å; L455-L470 HydrophobicContact CD2-CD1 4.06Å; N466-L470 WeakPolarHBondContact O-CG 3.46Å; N466-L470 PolarHBondContact O-N 2.82Å; I467-L470 WeakPolarHBondContact O-CB 3.3Å; I467-L470 PolarHBondContact O-N 2.95Å; I467-L470 VanDerWaalsContact O-N 3.17Å; L470-S474 VanDerWaalsContact O-CB 3.23Å; L470-S474 WeakPolarHBondContact O-CB 3.16Å; L470-S474 PolarHBondContact O-N 2.99Å; L470-S474 PolarHBondContact O-OG 3.49Å
471	L	94.1	Very high	94.6	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-41.4	174.6	-78.6	170.3	0	0	0	112.6	R452 L455 R456 I467 D468 F469 S474 G475	R452-L471 PolarHBondContact NH1-O 2.83Å; L455-L471 HydrophobicContact CB-CD2 3.55Å; L455-L471 HydrophobicContact CB-CG 3.92Å; L455-L471 HydrophobicContact CD1-CD2 4.16Å; L455-L471 HydrophobicContact CD1-CG 4.36Å; R456-L471 HydrophobicContact CG-CD1 4.03Å; R456-L471 HydrophobicContact CG-CD2 3.7Å; I467-L471 HydrophobicContact CG2-CD1 4.38Å; I467-L471 PolarHBondContact O-N 3.43Å; D468-L471 WeakPolarHBondContact O-CB 3.15Å; D468-L471 PolarHBondContact O-N 3.23Å; F469-L471 VanDerWaalsContact C-N 3.32Å; F469-L471 PolarHBondContact O-N 2.9Å; L471-S474 PolarHBondContact O-OG 3.44Å; L471-G475 PolarHBondContact O-N 3.44Å
472	N	94.1	Very high	94.7	Very high	59 Å²	59	33.3 Å²	33.3	32%	0.316	20%	0.2	S	C	.	.	H	α-helix	trans	-67.1	-47.3	175.8	-68.4	-21.5	0	0	0	110.9	D468 F469 G475 H476 L496	D468-N472 PolarHBondContact O-N 3.45Å; D468-N472 PolarHBondContact O-ND2 3.31Å; F469-N472 PolarHBondContact O-N 2.92Å; N472-G475 CarbonylContact O-C 3.59Å; N472-G475 PolarHBondContact O-N 2.93Å; N472-H476 PolarHBondContact O-N 3Å; N472-H476 VanDerWaalsContact O-N 3.12Å; N472-L496 PolarHBondContact ND2-O 2.89Å
473	L	96.1	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-50.6	-179.8	-170.5	169.3	0	0	0	111.9	V278 I285 I286 F469 G475 H476 F479 F488 I489 L496	V278-L473 HydrophobicContact CG1-CD1 3.53Å; V278-L473 HydrophobicContact CG1-CD2 4.04Å; V278-L473 HydrophobicContact CG1-CG 4.24Å; I285-L473 HydrophobicContact CG2-CD1 4.29Å; I286-L473 HydrophobicContact CD1-CD2 3.76Å; F469-L473 HydrophobicContact CE1-CD1 3.86Å; F469-L473 HydrophobicContact CZ-CD1 3.85Å; F469-L473 VanDerWaalsContact O-CB 3.25Å; F469-L473 WeakPolarHBondContact O-CB 3.38Å; F469-L473 PolarHBondContact O-N 3.14Å; L473-G475 PolarHBondContact O-N 3.22Å; L473-G475 VanDerWaalsContact O-N 3.13Å; L473-H476 VanDerWaalsContact O-CB 3.29Å; L473-H476 WeakPolarHBondContact O-CB 3.03Å; L473-H476 PolarHBondContact O-N 2.94Å; L473-F479 HydrophobicContact CD2-CD1 4.41Å; L473-F479 HydrophobicContact CD2-CD2 3.6Å; L473-F479 HydrophobicContact CD2-CE2 3.86Å; L473-F479 HydrophobicContact CD2-CG 3.91Å; L473-F479 HydrophobicContact CD2-CZ 4.37Å; L473-F479 WeakPolarHBondContact O-CB 3.39Å; L473-F488 HydrophobicContact CD2-CE1 4.41Å; L473-F488 HydrophobicContact CG-CE1 4.24Å; L473-I489 HydrophobicContact CD1-CD1 4.1Å; L473-I489 HydrophobicContact CD1-CG1 4.14Å; L473-L496 VanDerWaalsContact CA-CD2 3.48Å; L473-L496 HydrophobicContact CB-CD2 3.88Å; L473-L496 HydrophobicContact CG-CD2 4.22Å
474	S	96.4	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-14.8	179.3	59.7	0	0	0	0	113.8	L448 R452 L470 L471	L448-S474 WeakPolarHBondContact CD1-O 3.36Å; R452-S474 WeakPolarHBondContact CG-OG 3.24Å; R452-S474 PolarHBondContact NH1-OG 2.9Å; L470-S474 VanDerWaalsContact O-CB 3.23Å; L470-S474 WeakPolarHBondContact O-CB 3.16Å; L470-S474 PolarHBondContact O-N 2.99Å; L470-S474 PolarHBondContact O-OG 3.49Å; L471-S474 PolarHBondContact O-OG 3.44Å
475	G	95.1	Very high	95.5	Very high	22 Å²	22	31.4 Å²	31.4	23%	0.227	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.4	175	0	0	0	0	0	114.1	L471 N472 L473	L471-G475 PolarHBondContact O-N 3.44Å; N472-G475 CarbonylContact O-C 3.59Å; N472-G475 PolarHBondContact O-N 2.93Å; L473-G475 PolarHBondContact O-N 3.22Å; L473-G475 VanDerWaalsContact O-N 3.13Å
476	H	97.2	Very high	95.4	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.056	18%	0.184	C	C	.	.			trans	-73.7	133.4	178.8	-171.5	-82	0	0	0	109.8	N472 L473 E478 F479 E480 F488 H492 E495 L496	N472-H476 PolarHBondContact O-N 3Å; N472-H476 VanDerWaalsContact O-N 3.12Å; L473-H476 VanDerWaalsContact O-CB 3.29Å; L473-H476 WeakPolarHBondContact O-CB 3.03Å; L473-H476 PolarHBondContact O-N 2.94Å; H476-E478 VanDerWaalsContact C-N 3.32Å; H476-E478 PolarHBondContact ND1-N 2.92Å; H476-E478 PolarHBondContact O-N 2.91Å; H476-F479 HydrophobicContact CB-CB 4.24Å; H476-F479 WeakPolarHBondContact O-CA 3.47Å; H476-F479 WeakPolarHBondContact O-CB 2.88Å; H476-F479 PolarHBondContact O-N 2.97Å; H476-E480 PolarHBondContact O-N 3.46Å; H476-F488 HydrophobicContact CB-CZ 4.22Å; H476-F488 AromaticContact ND1-CZ 3.69Å; H476-H492 AromaticContact CE1-CD2 3.95Å; H476-H492 AromaticContact CE1-CE1 3.55Å; H476-H492 AromaticContact CE1-CG 3.59Å; H476-H492 AromaticContact CE1-ND1 3.34Å; H476-H492 PolarHBondContact CE1-ND1 3.32Å; H476-H492 VanDerWaalsContact CE1-ND1 3.34Å; H476-H492 AromaticContact CE1-NE2 3.94Å; H476-H492 AromaticContact NE2-CE1 3.94Å; H476-H492 AromaticContact NE2-CG 3.49Å; H476-H492 AromaticContact NE2-ND1 3.27Å; H476-H492 PolarHBondContact NE2-ND1 3.17Å; H476-E495 IonicContact NE2-OE1 2.66Å; H476-E495 IonicContact NE2-OE2 3.92Å; H476-E495 PolarHBondContact NE2-OE2 3.43Å; H476-L496 HydrophobicContact CB-CD2 4.35Å
477	P	97.1	Very high	95.2	Very high	85 Å²	85	35.3 Å²	35.3	55%	0.552	21%	0.205	S	C	*	.	H	α-helix	trans	-54.2	-42.2	-175.2	-28.5	35.3	0	0	0	114.4	F479 E480 A481	P477-F479 VanDerWaalsContact C-N 3.32Å; P477-F479 PolarHBondContact O-N 3.17Å; P477-E480 PolarHBondContact O-N 3.28Å; P477-A481 WeakPolarHBondContact O-CB 3.44Å; P477-A481 PolarHBondContact O-N 2.89Å
478	E	97.1	Very high	95.3	Very high	73 Å²	73	34.8 Å²	34.8	34%	0.341	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-33	177	-64.6	-58.6	127.1	0	0	112.8	H476 G482 N483 F488	H476-E478 VanDerWaalsContact C-N 3.32Å; H476-E478 PolarHBondContact ND1-N 2.92Å; H476-E478 PolarHBondContact O-N 2.91Å; E478-G482 PolarHBondContact O-N 2.84Å; E478-N483 HydrophobicContact CB-CB 4.33Å; E478-N483 PolarHBondContact O-N 3.48Å; E478-N483 WeakPolarHBondContact OE2-CB 3.3Å; E478-N483 PolarHBondContact OE2-ND2 2.76Å; E478-F488 HydrophobicContact CB-CE2 3.7Å; E478-F488 HydrophobicContact CB-CZ 4.33Å
479	F	97.8	Very high	95.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-41.7	175	-171.5	-93.3	0	0	0	110.9	V278 I286 F382 R444 L448 L473 H476 P477 A481 G482 V484 F488	V278-F479 HydrophobicContact CG2-CD2 3.97Å; V278-F479 HydrophobicContact CG2-CE2 3.78Å; I286-F479 HydrophobicContact CB-CZ 4.49Å; I286-F479 HydrophobicContact CD1-CZ 4.5Å; I286-F479 HydrophobicContact CG2-CE2 4.29Å; I286-F479 HydrophobicContact CG2-CZ 3.72Å; F382-F479 HydrophobicContact CD1-CE1 4.49Å; F382-F479 HydrophobicContact CD1-CZ 4.21Å; F382-F479 AromaticContact CE1-CE1 3.84Å; F382-F479 HydrophobicContact CE1-CE1 3.84Å; F382-F479 AromaticContact CE1-CZ 3.69Å; F382-F479 HydrophobicContact CE1-CZ 3.69Å; F382-F479 HydrophobicContact CZ-CE1 4.36Å; R444-F479 PolarHBondContact NH1-O 2.96Å; R444-F479 PolarHBondContact NH2-O 3.42Å; L448-F479 HydrophobicContact CD1-CD1 4.11Å; L448-F479 HydrophobicContact CD1-CE1 3.68Å; L448-F479 HydrophobicContact CD2-CD1 4.23Å; L448-F479 HydrophobicContact CD2-CE1 4.4Å; L473-F479 HydrophobicContact CD2-CD1 4.41Å; L473-F479 HydrophobicContact CD2-CD2 3.6Å; L473-F479 HydrophobicContact CD2-CE2 3.86Å; L473-F479 HydrophobicContact CD2-CG 3.91Å; L473-F479 HydrophobicContact CD2-CZ 4.37Å; L473-F479 WeakPolarHBondContact O-CB 3.39Å; H476-F479 HydrophobicContact CB-CB 4.24Å; H476-F479 WeakPolarHBondContact O-CA 3.47Å; H476-F479 WeakPolarHBondContact O-CB 2.88Å; H476-F479 PolarHBondContact O-N 2.97Å; P477-F479 VanDerWaalsContact C-N 3.32Å; P477-F479 PolarHBondContact O-N 3.17Å; F479-A481 VanDerWaalsContact C-N 3.29Å; F479-A481 PolarHBondContact O-N 3.16Å; F479-G482 PolarHBondContact O-N 2.93Å; F479-G482 VanDerWaalsContact O-N 3.07Å; F479-V484 HydrophobicContact CD2-CG1 3.72Å; F479-V484 HydrophobicContact CE2-CG1 4.06Å; F479-F488 HydrophobicContact CB-CE2 4.36Å; F479-F488 HydrophobicContact CB-CZ 3.79Å
480	E	97.3	Very high	95.3	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-39.3	174	-67.2	-171.4	167.1	0	0	111.5	R444 L448 H476 P477 G482	R444-E480 PolarHBondContact NH1-O 2.9Å; L448-E480 HydrophobicContact CD2-CB 4.31Å; L448-E480 HydrophobicContact CD2-CG 3.8Å; H476-E480 PolarHBondContact O-N 3.46Å; P477-E480 PolarHBondContact O-N 3.28Å; E480-G482 VanDerWaalsContact C-N 3.26Å; E480-G482 PolarHBondContact O-N 3.3Å
481	A	96.6	Very high	95.2	Very high	66 Å²	66	40.7 Å²	40.7	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-70.4	-18.6	175.3	0	0	0	0	0	114	P477 F479	P477-A481 WeakPolarHBondContact O-CB 3.44Å; P477-A481 PolarHBondContact O-N 2.89Å; F479-A481 VanDerWaalsContact C-N 3.29Å; F479-A481 PolarHBondContact O-N 3.16Å
482	G	95.4	Very high	95.1	Very high	10 Å²	10	40.7 Å²	40.7	10%	0.103	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	17.3	-174.5	0	0	0	0	0	113.8	E478 F479 E480 V484	E478-G482 PolarHBondContact O-N 2.84Å; F479-G482 PolarHBondContact O-N 2.93Å; F479-G482 VanDerWaalsContact O-N 3.07Å; E480-G482 VanDerWaalsContact C-N 3.26Å; E480-G482 PolarHBondContact O-N 3.3Å; G482-V484 PolarHBondContact O-N 2.84Å
483	N	95.1	Very high	95	Very high	89 Å²	89	41.8 Å²	41.8	48%	0.476	24%	0.238	S	C	.	.			trans	-83.5	66.5	176.1	-65.6	-19.7	0	0	0	110	E478	E478-N483 HydrophobicContact CB-CB 4.33Å; E478-N483 PolarHBondContact O-N 3.48Å; E478-N483 WeakPolarHBondContact OE2-CB 3.3Å; E478-N483 PolarHBondContact OE2-ND2 2.76Å
484	V	94.6	Very high	94.7	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	28%	0.276	C	S	.	.			trans	-101.6	147	-177.8	-62.9	0	0	0	0	111.4	R254 V278 P292 F479 G482	R254-V484 WeakPolarHBondContact CG-O 3.47Å; V278-V484 HydrophobicContact CG2-CB 4.03Å; V278-V484 HydrophobicContact CG2-CG1 3.77Å; P292-V484 HydrophobicContact CG-CG2 4.43Å; F479-V484 HydrophobicContact CD2-CG1 3.72Å; F479-V484 HydrophobicContact CE2-CG1 4.06Å; G482-V484 PolarHBondContact O-N 2.84Å
485	H	94.7	Very high	94.4	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.074	30%	0.3	C	S	.	.			trans	-157.6	168.2	174.2	58.4	96.7	0	0	0	109.3	T252 P253 D487 F488 Q491	T252-H485 HydrophobicContact CG2-CB 3.65Å; P253-H485 CarbonylContact O-C 3.57Å; P253-H485 WeakPolarHBondContact O-CA 3.48Å; P253-H485 WeakPolarHBondContact O-CB 3.38Å; H485-D487 VanDerWaalsContact CE1-C 3.46Å; H485-D487 PolarHBondContact ND1-N 3.1Å; H485-D487 PolarHBondContact O-N 3.15Å; H485-D487 VanDerWaalsContact O-N 3.1Å; H485-F488 PolarHBondContact CE1-N 2.91Å; H485-F488 WeakPolarHBondContact O-CB 3.46Å; H485-F488 PolarHBondContact O-N 2.99Å; H485-Q491 PolarHBondContact CE1-OE1 3.41Å; H485-Q491 PolarHBondContact NE2-OE1 3.43Å
486	T	92.2	Very high	94.2	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.172	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.3	-173.3	56.7	0	0	0	0	115.2	P253 H255 S277	P253-T486 HydrophobicContact CG-CG2 4.48Å; P253-T486 WeakPolarHBondContact CG-OG1 3.35Å; P253-T486 PolarHBondContact O-N 2.92Å; H255-T486 HydrophobicContact CB-CG2 4.06Å; S277-T486 VanDerWaalsContact O-CA 3.31Å; S277-T486 WeakPolarHBondContact O-CA 3.26Å
487	D	92.2	Very high	93.7	Very high	82 Å²	82	56.2 Å²	56.2	44%	0.439	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.5	178.1	-64.3	-39	0	0	0	113.2	H485 I489 P490 Q491	H485-D487 VanDerWaalsContact CE1-C 3.46Å; H485-D487 PolarHBondContact ND1-N 3.1Å; H485-D487 PolarHBondContact O-N 3.15Å; H485-D487 VanDerWaalsContact O-N 3.1Å; D487-I489 PolarHBondContact O-N 2.89Å; D487-P490 VanDerWaalsContact O-CD 3.28Å; D487-P490 WeakPolarHBondContact O-CD 3.41Å; D487-Q491 VanDerWaalsContact O-CB 3.24Å; D487-Q491 WeakPolarHBondContact O-CB 3.37Å; D487-Q491 PolarHBondContact O-N 3.31Å
488	F	95.3	Very high	92.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-49.7	-176.6	-177	-85.6	0	0	0	112.8	V278 L473 H476 E478 F479 H485 Q491 H492 L496	V278-F488 HydrophobicContact CG1-CD1 4.41Å; V278-F488 HydrophobicContact CG2-CD1 4.42Å; V278-F488 HydrophobicContact CG2-CG 4.45Å; L473-F488 HydrophobicContact CD2-CE1 4.41Å; L473-F488 HydrophobicContact CG-CE1 4.24Å; H476-F488 HydrophobicContact CB-CZ 4.22Å; H476-F488 AromaticContact ND1-CZ 3.69Å; E478-F488 HydrophobicContact CB-CE2 3.7Å; E478-F488 HydrophobicContact CB-CZ 4.33Å; F479-F488 HydrophobicContact CB-CE2 4.36Å; F479-F488 HydrophobicContact CB-CZ 3.79Å; H485-F488 PolarHBondContact CE1-N 2.91Å; H485-F488 WeakPolarHBondContact O-CB 3.46Å; H485-F488 PolarHBondContact O-N 2.99Å; F488-Q491 PolarHBondContact O-N 3.04Å; F488-H492 AromaticContact CD2-CD2 3.95Å; F488-H492 AromaticContact CE2-CD2 3.92Å; F488-H492 PolarHBondContact O-CD2 3.44Å; F488-H492 VanDerWaalsContact O-CD2 3.31Å; F488-H492 PolarHBondContact O-N 3.05Å; F488-L496 HydrophobicContact CE1-CD1 4.38Å
489	I	93.9	Very high	91.1	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-49.8	-179	-68.7	170.9	0	0	0	111.5	V278 R280 I285 F469 L473 D487 Q491 H492 H493 L496	V278-I489 HydrophobicContact CG1-CD1 3.83Å; V278-I489 HydrophobicContact CG1-CG1 4.02Å; R280-I489 HydrophobicContact CB-CD1 4.3Å; I285-I489 HydrophobicContact CB-CD1 4.41Å; I285-I489 HydrophobicContact CG1-CD1 3.93Å; F469-I489 HydrophobicContact CE1-CD1 4.28Å; F469-I489 HydrophobicContact CZ-CD1 3.85Å; F469-I489 HydrophobicContact CZ-CG1 4.07Å; F469-I489 HydrophobicContact CZ-CG2 4.06Å; L473-I489 HydrophobicContact CD1-CD1 4.1Å; L473-I489 HydrophobicContact CD1-CG1 4.14Å; D487-I489 PolarHBondContact O-N 2.89Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 PolarHBondContact O-N 2.84Å; I489-H492 PolarHBondContact O-N 3.21Å; I489-H493 VanDerWaalsContact O-CA 3.27Å; I489-H493 WeakPolarHBondContact O-CA 3.43Å; I489-H493 WeakPolarHBondContact O-CB 3.23Å; I489-H493 PolarHBondContact O-N 3.17Å; I489-L496 HydrophobicContact CB-CD1 4.35Å; I489-L496 HydrophobicContact CG1-CD1 4.12Å; I489-L496 HydrophobicContact CG2-CD1 4.34Å
490	P	92	Very high	89.8	Confident	84 Å²	84	63.8 Å²	63.8	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-54.1	-44	172.3	-28.6	33.4	0	0	0	114	D487 H493	D487-P490 VanDerWaalsContact O-CD 3.28Å; D487-P490 WeakPolarHBondContact O-CD 3.41Å; P490-H493 WeakPolarHBondContact O-CB 3.42Å
491	Q	93.9	Very high	88.8	Confident	122 Å²	122	68.5 Å²	68.5	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-44.2	-178.5	178.1	172	-37.8	0	0	112.2	H485 D487 F488 I489	H485-Q491 PolarHBondContact CE1-OE1 3.41Å; H485-Q491 PolarHBondContact NE2-OE1 3.43Å; D487-Q491 VanDerWaalsContact O-CB 3.24Å; D487-Q491 WeakPolarHBondContact O-CB 3.37Å; D487-Q491 PolarHBondContact O-N 3.31Å; F488-Q491 PolarHBondContact O-N 3.04Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 PolarHBondContact O-N 2.84Å
492	H	93.9	Very high	88.2	Confident	18 Å²	18	68.9 Å²	68.9	8%	0.083	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	15.1	-176.4	-62.5	-69.2	0	0	0	113.6	H476 F488 I489 K494 E495 L496	H476-H492 AromaticContact CE1-CD2 3.95Å; H476-H492 AromaticContact CE1-CE1 3.55Å; H476-H492 AromaticContact CE1-CG 3.59Å; H476-H492 AromaticContact CE1-ND1 3.34Å; H476-H492 PolarHBondContact CE1-ND1 3.32Å; H476-H492 VanDerWaalsContact CE1-ND1 3.34Å; H476-H492 AromaticContact CE1-NE2 3.94Å; H476-H492 AromaticContact NE2-CE1 3.94Å; H476-H492 AromaticContact NE2-CG 3.49Å; H476-H492 AromaticContact NE2-ND1 3.27Å; H476-H492 PolarHBondContact NE2-ND1 3.17Å; F488-H492 AromaticContact CD2-CD2 3.95Å; F488-H492 AromaticContact CE2-CD2 3.92Å; F488-H492 PolarHBondContact O-CD2 3.44Å; F488-H492 VanDerWaalsContact O-CD2 3.31Å; F488-H492 PolarHBondContact O-N 3.05Å; I489-H492 PolarHBondContact O-N 3.21Å; H492-K494 VanDerWaalsContact C-N 3.27Å; H492-K494 PolarHBondContact O-N 2.72Å; H492-E495 IonicContact ND1-OE1 3.39Å; H492-E495 PolarHBondContact ND1-OE1 3.4Å; H492-E495 PolarHBondContact O-N 2.91Å; H492-L496 HydrophobicContact CB-CD1 4.15Å; H492-L496 HydrophobicContact CB-CG 4.11Å; H492-L496 WeakPolarHBondContact O-CG 3.27Å; H492-L496 PolarHBondContact O-N 3.19Å
493	H	91.3	Very high	87.8	Confident	83 Å²	83	69.3 Å²	69.3	38%	0.384	36%	0.359	S	S	.	.	H	α-helix	trans	-50.2	-42.2	-170.9	-179.3	-84.5	0	0	0	114.1	I489 P490 L496 L497	I489-H493 VanDerWaalsContact O-CA 3.27Å; I489-H493 WeakPolarHBondContact O-CA 3.43Å; I489-H493 WeakPolarHBondContact O-CB 3.23Å; I489-H493 PolarHBondContact O-N 3.17Å; P490-H493 WeakPolarHBondContact O-CB 3.42Å; H493-L496 PolarHBondContact O-N 3.4Å; H493-L497 WeakPolarHBondContact CE1-CD1 3.1Å; H493-L497 VanDerWaalsContact NE2-CD1 3.32Å; H493-L497 WeakPolarHBondContact NE2-CD1 3.33Å; H493-L497 WeakPolarHBondContact O-CB 3.42Å; H493-L497 PolarHBondContact O-N 3.21Å
494	K	89.3	Confident	87.6	Confident	187 Å²	187	67.4 Å²	67.4	81%	0.813	36%	0.356	S	S	*	.	H	α-helix	trans	-67.2	-35	179.7	-67.5	-178.7	-179.5	176.1	0	113	H492	H492-K494 VanDerWaalsContact C-N 3.27Å; H492-K494 PolarHBondContact O-N 2.72Å
495	E	90.3	Very high	87.6	Confident	105 Å²	105	68.9 Å²	68.9	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-80.4	-27.3	-179.7	-61.6	175.5	-110.5	0	0	111.5	H476 H492 L498	H476-E495 IonicContact NE2-OE1 2.66Å; H476-E495 IonicContact NE2-OE2 3.92Å; H476-E495 PolarHBondContact NE2-OE2 3.43Å; H492-E495 IonicContact ND1-OE1 3.39Å; H492-E495 PolarHBondContact ND1-OE1 3.4Å; H492-E495 PolarHBondContact O-N 2.91Å; E495-L498 VanDerWaalsContact O-CG 3.27Å; E495-L498 WeakPolarHBondContact O-CG 3.23Å
496	L	90.7	Very high	87.5	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-83	-33.7	178.6	-61.5	177.8	0	0	0	113	F469 N472 L473 H476 F488 I489 H492 H493 L498	F469-L496 HydrophobicContact CD2-CB 4.05Å; F469-L496 HydrophobicContact CE2-CB 3.64Å; F469-L496 HydrophobicContact CE2-CD1 3.95Å; F469-L496 HydrophobicContact CE2-CG 4.36Å; F469-L496 HydrophobicContact CZ-CD1 4.31Å; N472-L496 PolarHBondContact ND2-O 2.89Å; L473-L496 VanDerWaalsContact CA-CD2 3.48Å; L473-L496 HydrophobicContact CB-CD2 3.88Å; L473-L496 HydrophobicContact CG-CD2 4.22Å; H476-L496 HydrophobicContact CB-CD2 4.35Å; F488-L496 HydrophobicContact CE1-CD1 4.38Å; I489-L496 HydrophobicContact CB-CD1 4.35Å; I489-L496 HydrophobicContact CG1-CD1 4.12Å; I489-L496 HydrophobicContact CG2-CD1 4.34Å; H492-L496 HydrophobicContact CB-CD1 4.15Å; H492-L496 HydrophobicContact CB-CG 4.11Å; H492-L496 WeakPolarHBondContact O-CG 3.27Å; H492-L496 PolarHBondContact O-N 3.19Å; H493-L496 PolarHBondContact O-N 3.4Å; L496-L498 PolarHBondContact O-N 2.81Å
497	L	86.4	Confident	87.6	Confident	43 Å²	43	72.3 Å²	72.3	23%	0.225	38%	0.379	C	S	.	.	S	Bend	trans	-100.2	53.6	177.1	-60.6	-175.1	0	0	0	111.6	P391 F395 F469 H493 S499	P391-L497 HydrophobicContact CB-CD2 3.5Å; F395-L497 HydrophobicContact CE2-CD1 4.46Å; F395-L497 HydrophobicContact CE2-CD2 4.34Å; F395-L497 HydrophobicContact CZ-CD2 4.22Å; F469-L497 HydrophobicContact CD2-CD2 3.81Å; F469-L497 HydrophobicContact CE2-CD2 4.35Å; H493-L497 WeakPolarHBondContact CE1-CD1 3.1Å; H493-L497 VanDerWaalsContact NE2-CD1 3.32Å; H493-L497 WeakPolarHBondContact NE2-CD1 3.33Å; H493-L497 WeakPolarHBondContact O-CB 3.42Å; H493-L497 PolarHBondContact O-N 3.21Å; L497-S499 PolarHBondContact O-N 3.09Å
498	L	73.9	Confident	87.7	Confident	96 Å²	96	68.7 Å²	68.7	50%	0.503	36%	0.359	S	S	.	.			trans	-55.4	134.1	176.4	-63.9	176.1	0	0	0	110.2	E495 L496 R500	E495-L498 VanDerWaalsContact O-CG 3.27Å; E495-L498 WeakPolarHBondContact O-CG 3.23Å; L496-L498 PolarHBondContact O-N 2.81Å; L498-R500 PolarHBondContact O-N 2.75Å
499	S	66.2	Low	87.8	Confident	103 Å²	103	68.7 Å²	68.7	72%	0.72	36%	0.359	S	S	*	.			trans	-59.6	140.8	171.4	51.1	0	0	0	0	109.6	L497 K501	L497-S499 PolarHBondContact O-N 3.09Å; S499-K501 PolarHBondContact O-N 2.82Å
500	R	70.9	Confident	87.9	Confident	121 Å²	121	69.6 Å²	69.6	46%	0.457	36%	0.364	S	S	.	.			trans	-50.2	113.8	172.8	178	175.1	164.4	161.8	-0.6	108.8	L498 D557 E628	L498-R500 PolarHBondContact O-N 2.75Å; R500-D557 IonicContact CZ-OD1 3.3Å; R500-D557 IonicContact NE-OD1 2.68Å; R500-D557 PolarHBondContact NE-OD1 3.01Å; R500-D557 IonicContact NH2-OD1 3.49Å; R500-D557 PolarHBondContact NH2-OD1 2.97Å; R500-E628 VanDerWaalsContact CZ-O 3.23Å; R500-E628 PolarHBondContact NH1-O 3.27Å; R500-E628 PolarHBondContact NH2-O 3.34Å
501	K	76.9	Confident	88	Confident	171 Å²	171	65.6 Å²	65.6	74%	0.743	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-69.8	148.1	172	-67.7	-177.9	-179	176.5	0	108.4	S499 A503	S499-K501 PolarHBondContact O-N 2.82Å; K501-A503 PolarHBondContact O-N 2.97Å
502	A	83.8	Confident	88.2	Confident	74 Å²	74	59.8 Å²	59.8	61%	0.612	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-55.3	136.5	170.6	0	0	0	0	0	109.3	D557	A502-D557 VanDerWaalsContact CA-OD2 3.28Å; A502-D557 WeakPolarHBondContact CA-OD2 3.41Å
503	A	86.8	Confident	88.3	Confident	19 Å²	19	58.9 Å²	58.9	16%	0.157	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-59.8	141.2	177.6	0	0	0	0	0	109.7	K501 L508 D557 I629	K501-A503 PolarHBondContact O-N 2.97Å; A503-L508 HydrophobicContact CB-CD2 4.19Å; A503-L508 HydrophobicContact CB-CG 4.18Å; A503-D557 PolarHBondContact N-OD2 3.44Å; A503-I629 HydrophobicContact CB-CD1 4.03Å
504	A	91.1	Very high	88.5	Confident	49 Å²	49	55 Å²	55	41%	0.405	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.2	144.7	171.7	0	0	0	0	0	109.6	E506 S507 L508	A504-E506 PolarHBondContact O-N 3.38Å; A504-S507 WeakPolarHBondContact O-CA 3.36Å; A504-S507 WeakPolarHBondContact O-CB 3.43Å; A504-S507 PolarHBondContact O-N 2.83Å; A504-L508 PolarHBondContact O-N 3.36Å
505	K	93.6	Very high	88.7	Confident	38 Å²	38	47.1 Å²	47.1	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-32.1	179.9	-69	-174.7	178.2	-165.9	0	111.2	L508 C509 I578 E579 D580 K581 F583	K505-L508 WeakPolarHBondContact O-CB 3.31Å; K505-L508 PolarHBondContact O-N 2.93Å; K505-C509 PolarHBondContact O-N 2.96Å; K505-C509 PolarHBondContact O-SG 3.32Å; K505-I578 HydrophobicContact CB-CD1 4.28Å; K505-I578 HydrophobicContact CD-CB 4.37Å; K505-I578 HydrophobicContact CD-CG2 4.22Å; K505-I578 HydrophobicContact CG-CG2 4.28Å; K505-I578 PolarHBondContact NZ-O 2.76Å; K505-E579 VanDerWaalsContact CE-OE2 3.31Å; K505-E579 WeakPolarHBondContact CE-OE2 3.32Å; K505-E579 IonicContact NZ-OE2 2.66Å; K505-E579 PolarHBondContact NZ-OE2 3.16Å; K505-D580 IonicContact NZ-OD1 2.68Å; K505-D580 PolarHBondContact NZ-OD1 2.95Å; K505-K581 HydrophobicContact CD-CD 4.05Å; K505-F583 HydrophobicContact CB-CE1 4.24Å; K505-F583 HydrophobicContact CB-CE2 3.85Å; K505-F583 HydrophobicContact CB-CZ 3.43Å; K505-F583 VanDerWaalsContact CB-CZ 3.43Å; K505-F583 HydrophobicContact CD-CE2 4.16Å; K505-F583 HydrophobicContact CD-CZ 3.96Å; K505-F583 HydrophobicContact CG-CZ 4.33Å
506	E	93.7	Very high	88.9	Confident	89 Å²	89	42.3 Å²	42.3	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-42.7	172.9	-64	77.9	-175.3	0	0	111.7	A504 L508 C509 Q510 F583 V602	A504-E506 PolarHBondContact O-N 3.38Å; E506-L508 VanDerWaalsContact C-N 3.35Å; E506-C509 WeakPolarHBondContact O-CB 3.49Å; E506-C509 PolarHBondContact O-N 3.35Å; E506-Q510 WeakPolarHBondContact O-CG 3.11Å; E506-Q510 PolarHBondContact O-N 3.25Å; E506-F583 HydrophobicContact CG-CD1 4.48Å; E506-F583 HydrophobicContact CG-CE1 4.18Å; E506-V602 HydrophobicContact CB-CG1 4.17Å; E506-V602 HydrophobicContact CG-CG1 3.96Å
507	S	93.6	Very high	89.1	Confident	28 Å²	28	43 Å²	43	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-33.4	176.5	-52.7	0	0	0	0	112.2	A504 Q510 A511	A504-S507 WeakPolarHBondContact O-CA 3.36Å; A504-S507 WeakPolarHBondContact O-CB 3.43Å; A504-S507 PolarHBondContact O-N 2.83Å; S507-Q510 WeakPolarHBondContact O-CB 3.25Å; S507-Q510 PolarHBondContact O-N 2.98Å; S507-A511 PolarHBondContact O-N 3.27Å
508	L	94.9	Very high	89.4	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-38.4	170.1	-66.9	172.4	0	0	0	111.8	A503 A504 K505 E506 Q510 A511 A512 V562 I564 I578 I629	A503-L508 HydrophobicContact CB-CD2 4.19Å; A503-L508 HydrophobicContact CB-CG 4.18Å; A504-L508 PolarHBondContact O-N 3.36Å; K505-L508 WeakPolarHBondContact O-CB 3.31Å; K505-L508 PolarHBondContact O-N 2.93Å; E506-L508 VanDerWaalsContact C-N 3.35Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; L508-A511 PolarHBondContact O-N 2.81Å; L508-A512 WeakPolarHBondContact O-CB 3.4Å; L508-A512 PolarHBondContact O-N 3.33Å; L508-V562 HydrophobicContact CD1-CB 4.26Å; L508-V562 HydrophobicContact CD1-CG1 3.9Å; L508-V562 HydrophobicContact CD1-CG2 4.1Å; L508-I564 HydrophobicContact CB-CD1 4.29Å; L508-I578 HydrophobicContact CB-CD1 3.9Å; L508-I578 HydrophobicContact CD1-CD1 4.49Å; L508-I629 HydrophobicContact CD2-CD1 3.77Å; L508-I629 HydrophobicContact CD2-CG1 4.29Å; L508-I629 HydrophobicContact CD2-CG2 4.38Å
509	C	96.2	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-40.2	172.4	-65.9	0	0	0	0	111.6	K505 E506 A512 L513 M576 V585 V602	K505-C509 PolarHBondContact O-N 2.96Å; K505-C509 PolarHBondContact O-SG 3.32Å; E506-C509 WeakPolarHBondContact O-CB 3.49Å; E506-C509 PolarHBondContact O-N 3.35Å; C509-A512 PolarHBondContact O-N 3.5Å; C509-L513 VanDerWaalsContact O-CB 3.28Å; C509-L513 WeakPolarHBondContact O-CB 3.28Å; C509-L513 PolarHBondContact O-N 2.71Å; C509-M576 HydrophobicContact CB-SD 3.75Å; C509-V585 HydrophobicContact CB-CG2 3.99Å; C509-V602 HydrophobicContact CB-CG1 4.47Å; C509-V602 HydrophobicContact CB-CG2 4.36Å
510	Q	96	Very high	91.3	Very high	25 Å²	25	42 Å²	42	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-44.5	173.8	-69	173.5	-24.4	0	0	111.8	E506 S507 L508 L513 G514 L598 V602 S607 L620	E506-Q510 WeakPolarHBondContact O-CG 3.11Å; E506-Q510 PolarHBondContact O-N 3.25Å; S507-Q510 WeakPolarHBondContact O-CB 3.25Å; S507-Q510 PolarHBondContact O-N 2.98Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; Q510-L513 PolarHBondContact O-N 3.01Å; Q510-G514 PolarHBondContact O-N 3.05Å; Q510-L598 HydrophobicContact CB-CD2 3.98Å; Q510-L598 VanDerWaalsContact O-CD2 3.23Å; Q510-L598 WeakPolarHBondContact O-CD2 3.19Å; Q510-V602 HydrophobicContact CG-CG2 4.31Å; Q510-S607 PolarHBondContact NE2-OG 3.48Å; Q510-L620 HydrophobicContact CB-CD1 3.72Å
511	A	95.8	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-46.4	178.1	0	0	0	0	0	111.4	S507 L508 G514 L515 L555 I618 L620 I629	S507-A511 PolarHBondContact O-N 3.27Å; L508-A511 PolarHBondContact O-N 2.81Å; A511-G514 PolarHBondContact O-N 2.98Å; A511-L515 PolarHBondContact O-N 3.23Å; A511-L555 HydrophobicContact CB-CD1 3.95Å; A511-I618 HydrophobicContact CB-CD1 4.3Å; A511-I618 HydrophobicContact CB-CG2 4.18Å; A511-L620 HydrophobicContact CB-CD1 3.96Å; A511-I629 HydrophobicContact CB-CB 4.29Å; A511-I629 HydrophobicContact CB-CG1 4.18Å; A511-I629 HydrophobicContact CB-CG2 4.44Å
512	A	96.6	Very high	92.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-46.8	174.8	0	0	0	0	0	112.1	L508 C509 L515 I516 M553 L555 I564 M576	L508-A512 WeakPolarHBondContact O-CB 3.4Å; L508-A512 PolarHBondContact O-N 3.33Å; C509-A512 PolarHBondContact O-N 3.5Å; A512-L515 PolarHBondContact O-N 2.91Å; A512-I516 VanDerWaalsContact O-CG1 3.29Å; A512-I516 WeakPolarHBondContact O-CG1 3.39Å; A512-I516 PolarHBondContact O-N 2.88Å; A512-M553 HydrophobicContact CB-SD 3.54Å; A512-M553 VanDerWaalsContact CB-SD 3.54Å; A512-L555 HydrophobicContact CB-CD1 4.24Å; A512-I564 HydrophobicContact CB-CD1 4.07Å; A512-M576 HydrophobicContact CB-CE 4.2Å; A512-M576 HydrophobicContact CB-SD 3.95Å
513	L	96.6	Very high	93	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-45.8	177.3	179.9	64.7	0	0	0	111.1	C509 Q510 L515 I516 L517 Y574 M576 V585 L598 C600	C509-L513 VanDerWaalsContact O-CB 3.28Å; C509-L513 WeakPolarHBondContact O-CB 3.28Å; C509-L513 PolarHBondContact O-N 2.71Å; Q510-L513 PolarHBondContact O-N 3.01Å; L513-L515 VanDerWaalsContact C-N 3.29Å; L513-L515 PolarHBondContact O-N 2.75Å; L513-I516 PolarHBondContact O-N 3.2Å; L513-L517 HydrophobicContact CD1-CD1 3.83Å; L513-L517 HydrophobicContact CD1-CD2 4.37Å; L513-L517 HydrophobicContact CD1-CG 3.86Å; L513-L517 HydrophobicContact CD2-CD1 4.22Å; L513-L517 HydrophobicContact CG-CD1 3.71Å; L513-L517 HydrophobicContact CG-CG 4.15Å; L513-L517 WeakPolarHBondContact O-CB 3.2Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.34Å; L513-L517 PolarHBondContact O-N 3.5Å; L513-Y574 HydrophobicContact CD1-CD2 3.62Å; L513-Y574 HydrophobicContact CD1-CE2 3.56Å; L513-M576 HydrophobicContact CB-CE 3.89Å; L513-M576 HydrophobicContact CD1-CE 4.44Å; L513-V585 HydrophobicContact CB-CG1 4.13Å; L513-V585 HydrophobicContact CD1-CG1 4.35Å; L513-V585 HydrophobicContact CD2-CG1 3.75Å; L513-V585 HydrophobicContact CG-CG1 4.28Å; L513-L598 HydrophobicContact CD2-CD1 3.88Å; L513-L598 HydrophobicContact CG-CD1 4.1Å; L513-C600 HydrophobicContact CD2-CB 3.44Å; L513-C600 VanDerWaalsContact CD2-CB 3.44Å
514	G	95.6	Very high	93.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-41.2	178	0	0	0	0	0	112.6	Q510 A511 K518	Q510-G514 PolarHBondContact O-N 3.05Å; A511-G514 PolarHBondContact O-N 2.98Å; G514-K518 VanDerWaalsContact O-CB 3.31Å; G514-K518 WeakPolarHBondContact O-CB 3.4Å; G514-K518 PolarHBondContact O-N 2.91Å
515	L	94.1	Very high	92.9	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-49.7	174.4	-177.6	62.7	0	0	0	111.8	A511 A512 L513 L517 K518 E519 I613 I618 I631	A511-L515 PolarHBondContact O-N 3.23Å; A512-L515 PolarHBondContact O-N 2.91Å; L513-L515 VanDerWaalsContact C-N 3.29Å; L513-L515 PolarHBondContact O-N 2.75Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 3.4Å; L515-K518 PolarHBondContact O-N 3.37Å; L515-E519 WeakPolarHBondContact O-CG 3.37Å; L515-E519 PolarHBondContact O-N 2.9Å; L515-I613 HydrophobicContact CD1-CD1 4.34Å; L515-I618 HydrophobicContact CB-CD1 4.16Å; L515-I631 HydrophobicContact CD1-CD1 3.85Å; L515-I631 HydrophobicContact CD2-CD1 3.99Å
516	I	94.4	Very high	92.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-46	179.7	-69.1	164.4	0	0	0	111.2	A512 L513 K518 E519 K520 M553 V566 Y568 Y574 M576	A512-I516 VanDerWaalsContact O-CG1 3.29Å; A512-I516 WeakPolarHBondContact O-CG1 3.39Å; A512-I516 PolarHBondContact O-N 2.88Å; L513-I516 PolarHBondContact O-N 3.2Å; I516-K518 VanDerWaalsContact C-N 3.34Å; I516-E519 PolarHBondContact O-N 3.34Å; I516-K520 WeakPolarHBondContact O-CB 3.43Å; I516-K520 PolarHBondContact O-N 2.92Å; I516-M553 HydrophobicContact CD1-CE 3.81Å; I516-M553 HydrophobicContact CG1-CE 3.83Å; I516-V566 HydrophobicContact CD1-CB 4.33Å; I516-V566 HydrophobicContact CD1-CG1 3.69Å; I516-V566 HydrophobicContact CD1-CG2 4.23Å; I516-Y568 HydrophobicContact CG2-CE1 4.31Å; I516-Y568 WeakPolarHBondContact CG2-OH 3.31Å; I516-Y574 HydrophobicContact CG2-CE1 3.87Å; I516-M576 HydrophobicContact CD1-CE 4.25Å
517	L	94.5	Very high	92.4	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-33.6	-179.4	-66	174.5	0	0	0	111.9	L513 L515 K520 A521 G587 L589 L598	L513-L517 HydrophobicContact CD1-CD1 3.83Å; L513-L517 HydrophobicContact CD1-CD2 4.37Å; L513-L517 HydrophobicContact CD1-CG 3.86Å; L513-L517 HydrophobicContact CD2-CD1 4.22Å; L513-L517 HydrophobicContact CG-CD1 3.71Å; L513-L517 HydrophobicContact CG-CG 4.15Å; L513-L517 WeakPolarHBondContact O-CB 3.2Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.34Å; L513-L517 PolarHBondContact O-N 3.5Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 3.4Å; L517-K520 PolarHBondContact O-N 2.83Å; L517-A521 WeakPolarHBondContact O-CB 3.47Å; L517-A521 PolarHBondContact O-N 3Å; L517-G587 WeakPolarHBondContact CD1-O 3.31Å; L517-L589 HydrophobicContact CB-CD1 3.65Å; L517-L589 HydrophobicContact CB-CD2 4.41Å; L517-L589 HydrophobicContact CB-CG 3.63Å; L517-L589 HydrophobicContact CD1-CD2 4.39Å; L517-L589 HydrophobicContact CD1-CG 4.08Å; L517-L598 HydrophobicContact CD1-CD1 3.76Å
518	K	91.6	Very high	92.1	Very high	81 Å²	81	43 Å²	43	35%	0.352	23%	0.226	S	C	.	.	H	α-helix	trans	-67.9	-43.9	174.7	-172	167.3	-175	175	0	111.4	G514 L515 I516 K520 A521 M522 L589 I613	G514-K518 VanDerWaalsContact O-CB 3.31Å; G514-K518 WeakPolarHBondContact O-CB 3.4Å; G514-K518 PolarHBondContact O-N 2.91Å; L515-K518 PolarHBondContact O-N 3.37Å; I516-K518 VanDerWaalsContact C-N 3.34Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-K520 PolarHBondContact O-N 3.45Å; K518-A521 PolarHBondContact O-N 2.79Å; K518-M522 WeakPolarHBondContact O-CG 3.43Å; K518-M522 PolarHBondContact O-N 3.25Å; K518-L589 HydrophobicContact CB-CD1 4.24Å; K518-I613 HydrophobicContact CB-CD1 4.22Å; K518-I613 HydrophobicContact CD-CB 4.05Å; K518-I613 HydrophobicContact CD-CD1 3.67Å; K518-I613 HydrophobicContact CD-CG1 4.21Å; K518-I613 PolarHBondContact NZ-O 2.92Å
519	E	90.8	Very high	91.8	Very high	65 Å²	65	50.9 Å²	50.9	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-46.2	172.6	-71.6	175.3	-179.3	0	0	111.1	L515 I516 A521 M522 T523 R551	L515-E519 WeakPolarHBondContact O-CG 3.37Å; L515-E519 PolarHBondContact O-N 2.9Å; I516-E519 PolarHBondContact O-N 3.34Å; E519-A521 PolarHBondContact O-N 2.82Å; E519-M522 PolarHBondContact O-N 3.07Å; E519-T523 PolarHBondContact O-N 2.97Å; E519-T523 PolarHBondContact O-OG1 2.74Å; E519-R551 IonicContact OE1-CZ 2.64Å; E519-R551 IonicContact OE1-NH1 3.08Å; E519-R551 IonicContact OE1-NH2 3.7Å; E519-R551 PolarHBondContact OE1-NH2 2.88Å; E519-R551 IonicContact OE2-CZ 2.86Å; E519-R551 IonicContact OE2-NH1 3.29Å; E519-R551 PolarHBondContact OE2-NH1 3.3Å; E519-R551 IonicContact OE2-NH2 2.72Å; E519-R551 PolarHBondContact OE2-NH2 3.32Å
520	K	90.6	Very high	91.4	Very high	75 Å²	75	52.2 Å²	52.2	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-48.2	175.6	176	171.3	167.2	41.1	0	111.7	I516 L517 K518 M522 T523 D524	I516-K520 WeakPolarHBondContact O-CB 3.43Å; I516-K520 PolarHBondContact O-N 2.92Å; L517-K520 PolarHBondContact O-N 2.83Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-K520 PolarHBondContact O-N 3.45Å; K520-M522 VanDerWaalsContact C-N 3.33Å; K520-M522 PolarHBondContact O-N 2.83Å; K520-T523 PolarHBondContact O-N 2.84Å; K520-D524 WeakPolarHBondContact CG-OD2 3.34Å; K520-D524 IonicContact NZ-OD1 3.37Å; K520-D524 PolarHBondContact NZ-OD1 3.27Å; K520-D524 IonicContact NZ-OD2 2.75Å; K520-D524 PolarHBondContact NZ-OD2 2.89Å; K520-D524 WeakPolarHBondContact O-CB 3.49Å; K520-D524 PolarHBondContact O-N 3.39Å
521	A	89.6	Confident	91.1	Very high	51 Å²	51	61.1 Å²	61.1	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-39.7	178.3	0	0	0	0	0	112.4	L517 K518 E519 D524 A525	L517-A521 WeakPolarHBondContact O-CB 3.47Å; L517-A521 PolarHBondContact O-N 3Å; K518-A521 PolarHBondContact O-N 2.79Å; E519-A521 PolarHBondContact O-N 2.82Å; A521-D524 PolarHBondContact O-N 2.77Å; A521-A525 WeakPolarHBondContact O-CB 3.37Å; A521-A525 PolarHBondContact O-N 3.27Å
522	M	87.9	Confident	90.8	Very high	127 Å²	127	65.3 Å²	65.3	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-64.8	-42.9	174.6	-73.4	-179.7	60.4	0	0	112.1	K518 E519 K520 A525 F526	K518-M522 WeakPolarHBondContact O-CG 3.43Å; K518-M522 PolarHBondContact O-N 3.25Å; E519-M522 PolarHBondContact O-N 3.07Å; K520-M522 VanDerWaalsContact C-N 3.33Å; K520-M522 PolarHBondContact O-N 2.83Å; M522-A525 PolarHBondContact O-N 2.92Å; M522-F526 WeakPolarHBondContact O-CB 3.27Å; M522-F526 PolarHBondContact O-N 3.45Å
523	T	89.1	Confident	90.4	Very high	36 Å²	36	70 Å²	70	22%	0.221	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-43.4	176.3	-50.3	0	0	0	0	111.7	E519 K520 A525 F526 T527 S538 S540	E519-T523 PolarHBondContact O-N 2.97Å; E519-T523 PolarHBondContact O-OG1 2.74Å; K520-T523 PolarHBondContact O-N 2.84Å; T523-A525 VanDerWaalsContact C-N 3.33Å; T523-A525 PolarHBondContact O-N 3.42Å; T523-F526 PolarHBondContact O-N 3.36Å; T523-T527 WeakPolarHBondContact O-CB 3.3Å; T523-T527 PolarHBondContact O-N 3.34Å; T523-T527 PolarHBondContact O-OG1 3.22Å; T523-S538 WeakPolarHBondContact CG2-O 3.5Å; T523-S540 VanDerWaalsContact CB-OG 3.23Å; T523-S540 WeakPolarHBondContact CB-OG 3.33Å; T523-S540 WeakPolarHBondContact CG2-OG 3.05Å; T523-S540 PolarHBondContact OG1-OG 2.8Å
524	D	88.4	Confident	89.9	Confident	65 Å²	65	78.8 Å²	78.8	35%	0.348	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-43.3	178.4	-68	-16.3	0	0	0	109.9	K520 A521 T527 L528	K520-D524 WeakPolarHBondContact CG-OD2 3.34Å; K520-D524 IonicContact NZ-OD1 3.37Å; K520-D524 PolarHBondContact NZ-OD1 3.27Å; K520-D524 IonicContact NZ-OD2 2.75Å; K520-D524 PolarHBondContact NZ-OD2 2.89Å; K520-D524 WeakPolarHBondContact O-CB 3.49Å; K520-D524 PolarHBondContact O-N 3.39Å; A521-D524 PolarHBondContact O-N 2.77Å; D524-T527 PolarHBondContact O-N 2.88Å; D524-L528 WeakPolarHBondContact O-CG 3.29Å; D524-L528 PolarHBondContact O-N 3.33Å; D524-L528 VanDerWaalsContact O-N 3.13Å
525	A	88.1	Confident	89.6	Confident	53 Å²	53	80.2 Å²	80.2	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.2	0	0	0	0	0	113.3	A521 M522 T523 L528	A521-A525 WeakPolarHBondContact O-CB 3.37Å; A521-A525 PolarHBondContact O-N 3.27Å; M522-A525 PolarHBondContact O-N 2.92Å; T523-A525 VanDerWaalsContact C-N 3.33Å; T523-A525 PolarHBondContact O-N 3.42Å; A525-L528 PolarHBondContact O-N 2.82Å
526	F	87.9	Confident	89	Confident	139 Å²	139	84 Å²	84	61%	0.61	43%	0.434	S	S	*	.	H	α-helix	trans	-62.2	-43.2	174.6	175.9	-96.1	0	0	0	111.7	M522 T523 L528 Q529 A530	M522-F526 WeakPolarHBondContact O-CB 3.27Å; M522-F526 PolarHBondContact O-N 3.45Å; T523-F526 PolarHBondContact O-N 3.36Å; F526-L528 VanDerWaalsContact C-N 3.32Å; F526-L528 PolarHBondContact O-N 3.39Å; F526-Q529 PolarHBondContact O-N 2.82Å; F526-A530 PolarHBondContact O-N 3.27Å; F526-A530 VanDerWaalsContact O-N 3.09Å
527	T	88.3	Confident	88.5	Confident	17 Å²	17	93.1 Å²	93.1	10%	0.104	47%	0.474	C	S	.	.	H	α-helix	trans	-61.9	-39.5	-179.4	-58	0	0	0	0	111.7	T523 D524 Q529 A530 Q533 S538	T523-T527 WeakPolarHBondContact O-CB 3.3Å; T523-T527 PolarHBondContact O-N 3.34Å; T523-T527 PolarHBondContact O-OG1 3.22Å; D524-T527 PolarHBondContact O-N 2.88Å; T527-Q529 PolarHBondContact O-N 3.27Å; T527-A530 WeakPolarHBondContact O-CB 3.4Å; T527-A530 PolarHBondContact O-N 2.81Å; T527-A530 VanDerWaalsContact O-N 3.1Å; T527-Q533 WeakPolarHBondContact CG2-O 3.38Å; T527-S538 VanDerWaalsContact CG2-OG 3.29Å; T527-S538 WeakPolarHBondContact CG2-OG 3.4Å; T527-S538 VanDerWaalsContact OG1-CB 3.3Å; T527-S538 WeakPolarHBondContact OG1-CB 3.49Å; T527-S538 PolarHBondContact OG1-O 3.37Å; T527-S538 PolarHBondContact OG1-OG 2.85Å
528	L	87.4	Confident	88	Confident	122 Å²	122	93.4 Å²	93.4	64%	0.639	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-28.2	176	-72.6	170	0	0	0	113.1	D524 A525 F526 Q533	D524-L528 WeakPolarHBondContact O-CG 3.29Å; D524-L528 PolarHBondContact O-N 3.33Å; D524-L528 VanDerWaalsContact O-N 3.13Å; A525-L528 PolarHBondContact O-N 2.82Å; F526-L528 VanDerWaalsContact C-N 3.32Å; F526-L528 PolarHBondContact O-N 3.39Å; L528-Q533 PolarHBondContact O-NE2 3.18Å
529	Q	88.5	Confident	87.5	Confident	171 Å²	171	92.8 Å²	92.8	80%	0.799	48%	0.483	S	S	*	.	H	α-helix	trans	-92.9	-10	178.3	-62.5	-176.6	-5.3	0	0	113.3	F526 T527	F526-Q529 PolarHBondContact O-N 2.82Å; T527-Q529 PolarHBondContact O-N 3.27Å
530	A	88.3	Confident	87.1	Confident	28 Å²	28	91.6 Å²	91.6	23%	0.231	48%	0.481	C	S	.	.	S	Bend	trans	-74.2	151.8	-178.7	0	0	0	0	0	111.6	F526 T527 D532	F526-A530 PolarHBondContact O-N 3.27Å; F526-A530 VanDerWaalsContact O-N 3.09Å; T527-A530 WeakPolarHBondContact O-CB 3.4Å; T527-A530 PolarHBondContact O-N 2.81Å; T527-A530 VanDerWaalsContact O-N 3.1Å; A530-D532 PolarHBondContact O-N 3.05Å
531	H	88.7	Confident	86.6	Confident	213 Å²	213	90.6 Å²	90.6	99%	0.986	48%	0.484	S	S	*	.	S	Bend	trans	-61.2	-32.8	174.6	-81.7	-65.3	0	0	0	113.1
532	D	90	Very high	86.3	Confident	87 Å²	87	88.8 Å²	88.8	47%	0.465	47%	0.471	S	S	.	.			trans	-116.2	93.3	173.4	-179.9	10.1	0	0	0	109.8	A530 F534 S535	A530-D532 PolarHBondContact O-N 3.05Å; D532-F534 PolarHBondContact O-N 3.34Å; D532-F534 PolarHBondContact OD1-N 3.31Å; D532-S535 PolarHBondContact O-N 3.12Å; D532-S535 PolarHBondContact OD1-N 3.13Å
533	Q	88.1	Confident	86	Confident	98 Å²	98	92.3 Å²	92.3	46%	0.458	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.2	179.7	-60.9	-178.2	-13.9	0	0	113.1	T527 L528	T527-Q533 WeakPolarHBondContact CG2-O 3.38Å; L528-Q533 PolarHBondContact O-NE2 3.18Å
534	F	86.9	Confident	85.9	Confident	185 Å²	185	96.4 Å²	96.4	81%	0.811	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	9.6	-176.9	-57.4	-72.4	0	0	0	112.6	D532	D532-F534 PolarHBondContact O-N 3.34Å; D532-F534 PolarHBondContact OD1-N 3.31Å
535	S	87.7	Confident	85.7	Confident	30 Å²	30	100.9 Å²	100.9	21%	0.21	51%	0.511	C	S	.	.			trans	-57.3	124	178.5	-178.8	0	0	0	0	110.6	D532 F537 S538	D532-S535 PolarHBondContact O-N 3.12Å; D532-S535 PolarHBondContact OD1-N 3.13Å; S535-F537 PolarHBondContact O-N 2.97Å; S535-F537 VanDerWaalsContact O-N 3.14Å; S535-F537 PolarHBondContact OG-N 3.21Å; S535-S538 PolarHBondContact O-N 3.43Å; S535-S538 VanDerWaalsContact O-N 3.14Å; S535-S538 PolarHBondContact O-OG 2.92Å
536	P	83	Confident	85.7	Confident	103 Å²	103	105.9 Å²	105.9	67%	0.669	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18	177.3	27.4	-34.6	0	0	0	112.3	S538	P536-S538 VanDerWaalsContact C-N 3.31Å
537	F	83.9	Confident	85.8	Confident	196 Å²	196	104.8 Å²	104.8	86%	0.86	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-81.1	-10.6	178.7	-62.8	-77.1	0	0	0	113.4	S535	S535-F537 PolarHBondContact O-N 2.97Å; S535-F537 VanDerWaalsContact O-N 3.14Å; S535-F537 PolarHBondContact OG-N 3.21Å
538	S	82.6	Confident	85.8	Confident	20 Å²	20	106.3 Å²	106.3	14%	0.14	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-98.5	15	174.8	69	0	0	0	0	112.8	T523 T527 S535 P536	T523-S538 WeakPolarHBondContact CG2-O 3.5Å; T527-S538 VanDerWaalsContact CG2-OG 3.29Å; T527-S538 WeakPolarHBondContact CG2-OG 3.4Å; T527-S538 VanDerWaalsContact OG1-CB 3.3Å; T527-S538 WeakPolarHBondContact OG1-CB 3.49Å; T527-S538 PolarHBondContact OG1-O 3.37Å; T527-S538 PolarHBondContact OG1-OG 2.85Å; S535-S538 PolarHBondContact O-N 3.43Å; S535-S538 VanDerWaalsContact O-N 3.14Å; S535-S538 PolarHBondContact O-OG 2.92Å; P536-S538 VanDerWaalsContact C-N 3.31Å
539	S	81.2	Confident	86.1	Confident	67 Å²	67	104 Å²	104	47%	0.469	53%	0.525	S	S	.	.			trans	-95.3	122.1	177	-173.2	0	0	0	0	112.8	S541	S539-S541 VanDerWaalsContact C-N 3.26Å; S539-S541 PolarHBondContact O-N 3.03Å; S539-S541 WeakPolarHBondContact OG-CB 3.3Å; S539-S541 PolarHBondContact OG-N 3.24Å; S539-S541 PolarHBondContact OG-OG 2.78Å
540	S	82.2	Confident	86.4	Confident	40 Å²	40	99 Å²	99	28%	0.28	51%	0.506	S	S	.	.			trans	-88.1	22.4	172.4	-67.9	0	0	0	0	114	T523 G542	T523-S540 VanDerWaalsContact CB-OG 3.23Å; T523-S540 WeakPolarHBondContact CB-OG 3.33Å; T523-S540 WeakPolarHBondContact CG2-OG 3.05Å; T523-S540 PolarHBondContact OG1-OG 2.8Å; S540-G542 PolarHBondContact O-N 3.42Å
541	S	80	Confident	86.7	Confident	55 Å²	55	100.5 Å²	100.5	39%	0.385	51%	0.506	S	S	.	.	S	Bend	trans	-74.8	-8.9	-178.8	56.9	0	0	0	0	114.4	S539 R543	S539-S541 VanDerWaalsContact C-N 3.26Å; S539-S541 PolarHBondContact O-N 3.03Å; S539-S541 WeakPolarHBondContact OG-CB 3.3Å; S539-S541 PolarHBondContact OG-N 3.24Å; S539-S541 PolarHBondContact OG-OG 2.78Å; S541-R543 PolarHBondContact O-N 3.03Å; S541-R543 WeakPolarHBondContact OG-CB 3.21Å
542	G	83.8	Confident	86.9	Confident	13 Å²	13	96.6 Å²	96.6	13%	0.134	49%	0.492	C	S	.	.			trans	66.3	17.9	-173.2	0	0	0	0	0	113.3	S540 R544 Y549	S540-G542 PolarHBondContact O-N 3.42Å; G542-R544 PolarHBondContact O-N 3.36Å; G542-Y549 WeakPolarHBondContact O-CB 3.36Å
543	R	82.1	Confident	87.1	Confident	201 Å²	201	93.2 Å²	93.2	76%	0.758	47%	0.474	S	S	*	.			trans	-58.3	133.6	-172.1	-165.8	168.6	-177.9	162.4	-0.3	112.3	S541	S541-R543 PolarHBondContact O-N 3.03Å; S541-R543 WeakPolarHBondContact OG-CB 3.21Å
544	R	86.3	Confident	87.4	Confident	121 Å²	121	91.7 Å²	91.7	46%	0.457	47%	0.471	S	S	.	.			trans	-137.4	144	172.3	-67.1	-67.9	-178.7	-85.4	0.1	106.8	G542 I547	G542-R544 PolarHBondContact O-N 3.36Å; R544-I547 HydrophobicContact CB-CG1 3.88Å; R544-I547 WeakPolarHBondContact CB-O 3.35Å; R544-I547 HydrophobicContact CG-CG1 4.29Å
545	L	84.6	Confident	87.8	Confident	159 Å²	159	83 Å²	83	83%	0.832	43%	0.433	S	S	*	.	S	Bend	trans	-72.4	-38.7	-169.5	-68.4	175	0	0	0	113.4
546	N	88.7	Confident	88	Confident	159 Å²	159	85 Å²	85	85%	0.85	44%	0.438	S	S	*	.	S	Bend	trans	-124.2	-3	-169.1	-63.5	-26.3	0	0	0	114.3
547	I	89.4	Confident	88.4	Confident	115 Å²	115	80.5 Å²	80.5	59%	0.59	41%	0.408	S	S	*	.	S	Bend	trans	-141	157.6	-176.5	60.4	173.2	0	0	0	109.5	R544	R544-I547 HydrophobicContact CB-CG1 3.88Å; R544-I547 WeakPolarHBondContact CB-O 3.35Å; R544-I547 HydrophobicContact CG-CG1 4.29Å
548	S	88.9	Confident	88.5	Confident	50 Å²	50	72.5 Å²	72.5	35%	0.35	38%	0.381	S	S	.	.			trans	-74.3	142.4	164	-56.7	0	0	0	0	109.7
549	Y	93	Very high	88.6	Confident	72 Å²	72	81 Å²	81	28%	0.282	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.9	173.6	174.4	-124.4	0	0	0	110.1	G542 R551 T567 Y568	G542-Y549 WeakPolarHBondContact O-CB 3.36Å; Y549-R551 HydrophobicContact CE1-CB 3.8Å; Y549-T567 CarbonylContact O-C 3.6Å; Y549-T567 WeakPolarHBondContact O-CA 3.41Å; Y549-Y568 AromaticContact CD1-CD2 3.81Å; Y549-Y568 HydrophobicContact CD1-CD2 3.81Å; Y549-Y568 HydrophobicContact CD1-CE2 4.05Å; Y549-Y568 HydrophobicContact CD1-CG 4.25Å; Y549-Y568 HydrophobicContact CE1-CD2 4.41Å; Y549-Y568 HydrophobicContact CE1-CE2 4.19Å; Y549-Y568 PolarHBondContact O-N 2.9Å
550	T	94.8	Very high	88.9	Confident	66 Å²	66	82.4 Å²	82.4	41%	0.405	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118	171	-54.7	0	0	0	0	109.6	A565 V566 T567	T550-A565 HydrophobicContact CG2-CB 3.94Å; T550-V566 CarbonylContact C-O 3.53Å; T550-V566 WeakPolarHBondContact CA-O 3.48Å; T550-T567 PolarHBondContact OG1-OG1 3.46Å
551	R	94.3	Very high	89.4	Confident	60 Å²	60	85.8 Å²	85.8	23%	0.226	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.7	174	-178	177.3	176.5	-175.9	-3.5	109.7	E519 Y549 V566 Y568	E519-R551 IonicContact OE1-CZ 2.64Å; E519-R551 IonicContact OE1-NH1 3.08Å; E519-R551 IonicContact OE1-NH2 3.7Å; E519-R551 PolarHBondContact OE1-NH2 2.88Å; E519-R551 IonicContact OE2-CZ 2.86Å; E519-R551 IonicContact OE2-NH1 3.29Å; E519-R551 PolarHBondContact OE2-NH1 3.3Å; E519-R551 IonicContact OE2-NH2 2.72Å; E519-R551 PolarHBondContact OE2-NH2 3.32Å; Y549-R551 HydrophobicContact CE1-CB 3.8Å; R551-V566 PolarHBondContact N-O 3Å; R551-V566 PolarHBondContact O-N 3.35Å; R551-Y568 HydrophobicContact CB-CE2 4.05Å
552	N	94.4	Very high	90.1	Very high	131 Å²	131	84.2 Å²	84.2	70%	0.701	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	126	169.6	-64.7	-29.6	0	0	0	109.2
553	M	93.3	Very high	90.7	Very high	17 Å²	17	86.9 Å²	86.9	8%	0.084	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.6	172.9	62.1	177.6	53.7	0	0	110.2	A512 I516 I564 V566	A512-M553 HydrophobicContact CB-SD 3.54Å; A512-M553 VanDerWaalsContact CB-SD 3.54Å; I516-M553 HydrophobicContact CD1-CE 3.81Å; I516-M553 HydrophobicContact CG1-CE 3.83Å; M553-I564 HydrophobicContact CG-CB 3.81Å; M553-I564 WeakPolarHBondContact CG-O 3.5Å; M553-I564 PolarHBondContact N-O 2.61Å; M553-I564 PolarHBondContact O-N 2.82Å; M553-V566 HydrophobicContact CE-CG2 3.92Å; M553-V566 HydrophobicContact CG-CG2 4.22Å; M553-V566 HydrophobicContact SD-CG2 3.91Å
554	T	94.4	Very high	91.4	Very high	66 Å²	66	77.4 Å²	77.4	41%	0.405	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.2	174.7	-55	0	0	0	0	107.5	N561 V562 P632	T554-N561 HydrophobicContact CG2-CB 3.88Å; T554-V562 WeakPolarHBondContact CA-O 3.45Å; T554-P632 HydrophobicContact CG2-CG 3.86Å; T554-P632 WeakPolarHBondContact O-CD 3.43Å
555	L	94.9	Very high	92	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.005	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.9	168.4	-63.6	-174.7	0	0	0	108.7	A511 A512 N561 V562 I564 I618 I629 I631	A511-L555 HydrophobicContact CB-CD1 3.95Å; A512-L555 HydrophobicContact CB-CD1 4.24Å; L555-N561 CarbonylContact O-C 3.58Å; L555-V562 PolarHBondContact N-O 2.77Å; L555-V562 PolarHBondContact O-N 2.83Å; L555-I564 HydrophobicContact CB-CD1 4.46Å; L555-I564 HydrophobicContact CD1-CD1 3.58Å; L555-I564 HydrophobicContact CG-CD1 3.93Å; L555-I618 HydrophobicContact CD2-CD1 4.23Å; L555-I629 HydrophobicContact CB-CG2 3.66Å; L555-I629 HydrophobicContact CD1-CG2 3.95Å; L555-I629 HydrophobicContact CD2-CG2 4.31Å; L555-I629 HydrophobicContact CG-CG2 4.18Å; L555-I631 HydrophobicContact CD2-CG1 4.47Å
556	K	92.5	Very high	92.6	Very high	73 Å²	73	65.1 Å²	65.1	32%	0.317	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.4	-179.9	178.1	-174.2	178.9	-153.8	0	109.4	G558 N560 D630 P632	K556-G558 WeakPolarHBondContact CE-O 3.46Å; K556-G558 WeakPolarHBondContact CG-O 3.34Å; K556-N560 CarbonylContact C-O 3.6Å; K556-N560 WeakPolarHBondContact CA-O 3.43Å; K556-D630 HydrophobicContact CB-CB 3.89Å; K556-D630 HydrophobicContact CD-CB 4.16Å; K556-D630 HydrophobicContact CG-CB 4.28Å; K556-D630 PolarHBondContact N-O 2.96Å; K556-D630 PolarHBondContact O-N 2.66Å; K556-P632 HydrophobicContact CB-CG 4.3Å
557	D	90.8	Very high	92.9	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	97.7	175.5	177.6	24	0	0	0	109	R500 A502 A503 K559 N560 I629	R500-D557 IonicContact CZ-OD1 3.3Å; R500-D557 IonicContact NE-OD1 2.68Å; R500-D557 PolarHBondContact NE-OD1 3.01Å; R500-D557 IonicContact NH2-OD1 3.49Å; R500-D557 PolarHBondContact NH2-OD1 2.97Å; A502-D557 VanDerWaalsContact CA-OD2 3.28Å; A502-D557 WeakPolarHBondContact CA-OD2 3.41Å; A503-D557 PolarHBondContact N-OD2 3.44Å; D557-K559 PolarHBondContact O-N 3.31Å; D557-N560 PolarHBondContact N-O 3.46Å; D557-N560 PolarHBondContact O-N 3.2Å; D557-I629 HydrophobicContact CB-CD1 4.16Å
558	G	86.4	Confident	93.2	Very high	29 Å²	29	54.8 Å²	54.8	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-106.6	-172.5	0	0	0	0	0	111.2	K556	K556-G558 WeakPolarHBondContact CE-O 3.46Å; K556-G558 WeakPolarHBondContact CG-O 3.34Å
559	K	84.3	Confident	93.4	Very high	197 Å²	197	54.3 Å²	54.3	86%	0.857	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-9.4	176.5	-65.5	-176.5	-179.2	179.5	0	113.5	D557	D557-K559 PolarHBondContact O-N 3.31Å
560	N	88.8	Confident	93	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.9	-171.5	-60.8	-35.8	0	0	0	110.4	K556 D557	K556-N560 CarbonylContact C-O 3.6Å; K556-N560 WeakPolarHBondContact CA-O 3.43Å; D557-N560 PolarHBondContact N-O 3.46Å; D557-N560 PolarHBondContact O-N 3.2Å
561	N	92.1	Very high	92.7	Very high	111 Å²	111	61.9 Å²	61.9	59%	0.594	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	168.9	-70.3	-31.6	0	0	0	109	T554 L555	T554-N561 HydrophobicContact CG2-CB 3.88Å; L555-N561 CarbonylContact O-C 3.58Å
562	V	94.6	Very high	92.3	Very high	23 Å²	23	61.6 Å²	61.6	14%	0.139	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.8	178.7	-172.6	0	0	0	0	109.1	L508 T554 L555 I564 I578	L508-V562 HydrophobicContact CD1-CB 4.26Å; L508-V562 HydrophobicContact CD1-CG1 3.9Å; L508-V562 HydrophobicContact CD1-CG2 4.1Å; T554-V562 WeakPolarHBondContact CA-O 3.45Å; L555-V562 PolarHBondContact N-O 2.77Å; L555-V562 PolarHBondContact O-N 2.83Å; V562-I564 HydrophobicContact CG1-CG1 4.45Å; V562-I578 HydrophobicContact CG1-CG2 3.59Å
563	A	96.1	Very high	92.3	Very high	69 Å²	69	55.9 Å²	55.9	57%	0.57	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.9	174.1	0	0	0	0	0	110.3
564	I	97.4	Very high	92.4	Very high	2 Å²	2	56 Å²	56	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.6	179.1	-46.5	-177.9	0	0	0	108.1	L508 A512 M553 L555 V562 V566 M576 Q577 I578	L508-I564 HydrophobicContact CB-CD1 4.29Å; A512-I564 HydrophobicContact CB-CD1 4.07Å; M553-I564 HydrophobicContact CG-CB 3.81Å; M553-I564 WeakPolarHBondContact CG-O 3.5Å; M553-I564 PolarHBondContact N-O 2.61Å; M553-I564 PolarHBondContact O-N 2.82Å; L555-I564 HydrophobicContact CB-CD1 4.46Å; L555-I564 HydrophobicContact CD1-CD1 3.58Å; L555-I564 HydrophobicContact CG-CD1 3.93Å; V562-I564 HydrophobicContact CG1-CG1 4.45Å; I564-V566 HydrophobicContact CG2-CG2 3.8Å; I564-M576 HydrophobicContact CG2-CB 4.18Å; I564-Q577 WeakPolarHBondContact CA-O 3.28Å; I564-I578 HydrophobicContact CB-CG1 4.4Å; I564-I578 HydrophobicContact CD1-CD1 4.1Å; I564-I578 HydrophobicContact CD1-CG1 4.49Å; I564-I578 HydrophobicContact CG1-CD1 4.17Å; I564-I578 HydrophobicContact CG1-CG1 4.04Å; I564-I578 HydrophobicContact CG2-CD1 4.44Å; I564-I578 HydrophobicContact CG2-CG1 3.98Å
565	A	97.6	Very high	92.5	Very high	21 Å²	21	53.8 Å²	53.8	17%	0.174	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.1	171.7	0	0	0	0	0	109.2	T550 M576 Q577	T550-A565 HydrophobicContact CG2-CB 3.94Å; A565-M576 WeakPolarHBondContact O-CA 3.34Å; A565-Q577 HydrophobicContact CB-CB 4.29Å; A565-Q577 PolarHBondContact N-O 3.07Å; A565-Q577 PolarHBondContact O-N 3.49Å
566	V	97.3	Very high	92.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109	-175.6	-174.4	0	0	0	0	110.1	I516 T550 R551 M553 I564 Y568 Y574 M576	I516-V566 HydrophobicContact CD1-CB 4.33Å; I516-V566 HydrophobicContact CD1-CG1 3.69Å; I516-V566 HydrophobicContact CD1-CG2 4.23Å; T550-V566 CarbonylContact C-O 3.53Å; T550-V566 WeakPolarHBondContact CA-O 3.48Å; R551-V566 PolarHBondContact N-O 3Å; R551-V566 PolarHBondContact O-N 3.35Å; M553-V566 HydrophobicContact CE-CG2 3.92Å; M553-V566 HydrophobicContact CG-CG2 4.22Å; M553-V566 HydrophobicContact SD-CG2 3.91Å; I564-V566 HydrophobicContact CG2-CG2 3.8Å; V566-Y568 HydrophobicContact CB-CE2 4.49Å; V566-Y568 HydrophobicContact CG1-CD2 4.41Å; V566-Y568 HydrophobicContact CG1-CE2 4.05Å; V566-Y574 HydrophobicContact CG1-CD1 3.88Å; V566-Y574 HydrophobicContact CG1-CG 4.4Å; V566-M576 HydrophobicContact CG1-CE 4.16Å; V566-M576 HydrophobicContact CG1-CG 4.15Å; V566-M576 HydrophobicContact CG2-CG 4.14Å; V566-M576 HydrophobicContact CG2-SD 4.48Å
567	T	96.6	Very high	92.9	Very high	33 Å²	33	54.8 Å²	54.8	20%	0.202	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.3	175.3	-56.7	0	0	0	0	110.3	Y549 T550 Y574 S575	Y549-T567 CarbonylContact O-C 3.6Å; Y549-T567 WeakPolarHBondContact O-CA 3.41Å; T550-T567 PolarHBondContact OG1-OG1 3.46Å; T567-Y574 CarbonylContact O-C 3.54Å; T567-Y574 WeakPolarHBondContact O-CA 3.37Å; T567-S575 PolarHBondContact N-O 3.4Å; T567-S575 PolarHBondContact O-N 3.42Å
568	Y	94.8	Very high	93.2	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	111.2	179.8	-71.3	-123.1	0	0	0	108.1	I516 Y549 R551 V566 Y574	I516-Y568 HydrophobicContact CG2-CE1 4.31Å; I516-Y568 WeakPolarHBondContact CG2-OH 3.31Å; Y549-Y568 AromaticContact CD1-CD2 3.81Å; Y549-Y568 HydrophobicContact CD1-CD2 3.81Å; Y549-Y568 HydrophobicContact CD1-CE2 4.05Å; Y549-Y568 HydrophobicContact CD1-CG 4.25Å; Y549-Y568 HydrophobicContact CE1-CD2 4.41Å; Y549-Y568 HydrophobicContact CE1-CE2 4.19Å; Y549-Y568 PolarHBondContact O-N 2.9Å; R551-Y568 HydrophobicContact CB-CE2 4.05Å; V566-Y568 HydrophobicContact CB-CE2 4.49Å; V566-Y568 HydrophobicContact CG1-CD2 4.41Å; V566-Y568 HydrophobicContact CG1-CE2 4.05Å; Y568-Y574 HydrophobicContact CD1-CD1 4.25Å; Y568-Y574 AromaticContact CD1-CE1 3.63Å; Y568-Y574 HydrophobicContact CD1-CE1 3.63Å; Y568-Y574 HydrophobicContact CD2-CD1 4.36Å; Y568-Y574 HydrophobicContact CD2-CE1 4.44Å; Y568-Y574 HydrophobicContact CE1-CD1 4.41Å; Y568-Y574 AromaticContact CE1-CE1 3.61Å; Y568-Y574 HydrophobicContact CE1-CE1 3.61Å; Y568-Y574 HydrophobicContact CE2-CD1 4.46Å; Y568-Y574 HydrophobicContact CE2-CE1 4.38Å; Y568-Y574 HydrophobicContact CG-CD1 4.21Å; Y568-Y574 HydrophobicContact CG-CE1 4.05Å; Y568-Y574 AromaticContact CZ-CE1 3.96Å
569	N	92.3	Very high	93.5	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.214	32%	0.324	C	S	.	.			trans	-83.9	156.6	-178.8	-57.6	-32.3	0	0	0	110.5	D571 G572 S573 S575	N569-D571 VanDerWaalsContact C-N 3.25Å; N569-D571 VanDerWaalsContact CB-OD1 3.27Å; N569-D571 WeakPolarHBondContact CB-OD1 3.43Å; N569-D571 PolarHBondContact O-N 2.78Å; N569-G572 PolarHBondContact O-N 3.01Å; N569-S573 VanDerWaalsContact CB-O 3.27Å; N569-S573 WeakPolarHBondContact CB-O 3.33Å; N569-S573 WeakPolarHBondContact CB-OG 3.49Å; N569-S573 PolarHBondContact N-O 3.21Å; N569-S573 PolarHBondContact ND2-OG 3.45Å; N569-S575 PolarHBondContact ND2-OG 3.25Å; N569-S575 VanDerWaalsContact ND2-OG 3.14Å; N569-S575 PolarHBondContact OD1-OG 3.1Å
570	H	85.9	Confident	93.8	Very high	165 Å²	165	56.4 Å²	56.4	76%	0.764	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.5	-176.5	-67.1	-62.6	0	0	0	114.3	G572	H570-G572 VanDerWaalsContact C-N 3.26Å
571	D	88	Confident	94.2	Very high	131 Å²	131	57.1 Å²	57.1	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.5	178.2	65	-7	0	0	0	113.2	N569 S573	N569-D571 VanDerWaalsContact C-N 3.25Å; N569-D571 VanDerWaalsContact CB-OD1 3.27Å; N569-D571 WeakPolarHBondContact CB-OD1 3.43Å; N569-D571 PolarHBondContact O-N 2.78Å; D571-S573 VanDerWaalsContact C-N 3.33Å; D571-S573 VanDerWaalsContact CG-OG 3.3Å; D571-S573 VanDerWaalsContact OD1-CB 3.31Å; D571-S573 WeakPolarHBondContact OD1-CB 3.32Å; D571-S573 PolarHBondContact OD1-N 2.69Å; D571-S573 PolarHBondContact OD1-OG 2.61Å; D571-S573 PolarHBondContact OD2-OG 3.2Å
572	G	86.6	Confident	94.4	Very high	54 Å²	54	55.7 Å²	55.7	56%	0.557	31%	0.309	S	S	*	.	S	Bend	trans	86.4	-1.7	-177	0	0	0	0	0	114.3	N569 H570	N569-G572 PolarHBondContact O-N 3.01Å; H570-G572 VanDerWaalsContact C-N 3.26Å
573	S	93.7	Very high	94.6	Very high	12 Å²	12	54.8 Å²	54.8	8%	0.084	30%	0.303	C	S	.	.			trans	-81	171.9	170	72.5	0	0	0	0	111.8	N569 D571	N569-S573 VanDerWaalsContact CB-O 3.27Å; N569-S573 WeakPolarHBondContact CB-O 3.33Å; N569-S573 WeakPolarHBondContact CB-OG 3.49Å; N569-S573 PolarHBondContact N-O 3.21Å; N569-S573 PolarHBondContact ND2-OG 3.45Å; D571-S573 VanDerWaalsContact C-N 3.33Å; D571-S573 VanDerWaalsContact CG-OG 3.3Å; D571-S573 VanDerWaalsContact OD1-CB 3.31Å; D571-S573 WeakPolarHBondContact OD1-CB 3.32Å; D571-S573 PolarHBondContact OD1-N 2.69Å; D571-S573 PolarHBondContact OD1-OG 2.61Å; D571-S573 PolarHBondContact OD2-OG 3.2Å
574	Y	96.1	Very high	94.6	Very high	19 Å²	19	56 Å²	56	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.9	179.9	-56	-87.6	0	0	0	110	L513 I516 V566 T567 Y568 M576 V585	L513-Y574 HydrophobicContact CD1-CD2 3.62Å; L513-Y574 HydrophobicContact CD1-CE2 3.56Å; I516-Y574 HydrophobicContact CG2-CE1 3.87Å; V566-Y574 HydrophobicContact CG1-CD1 3.88Å; V566-Y574 HydrophobicContact CG1-CG 4.4Å; T567-Y574 CarbonylContact O-C 3.54Å; T567-Y574 WeakPolarHBondContact O-CA 3.37Å; Y568-Y574 HydrophobicContact CD1-CD1 4.25Å; Y568-Y574 AromaticContact CD1-CE1 3.63Å; Y568-Y574 HydrophobicContact CD1-CE1 3.63Å; Y568-Y574 HydrophobicContact CD2-CD1 4.36Å; Y568-Y574 HydrophobicContact CD2-CE1 4.44Å; Y568-Y574 HydrophobicContact CE1-CD1 4.41Å; Y568-Y574 AromaticContact CE1-CE1 3.61Å; Y568-Y574 HydrophobicContact CE1-CE1 3.61Å; Y568-Y574 HydrophobicContact CE2-CD1 4.46Å; Y568-Y574 HydrophobicContact CE2-CE1 4.38Å; Y568-Y574 HydrophobicContact CG-CD1 4.21Å; Y568-Y574 HydrophobicContact CG-CE1 4.05Å; Y568-Y574 AromaticContact CZ-CE1 3.96Å; Y574-M576 HydrophobicContact CG-CE 4.46Å; Y574-V585 PolarHBondContact N-O 3.12Å; Y574-V585 PolarHBondContact O-N 3.4Å
575	S	96.9	Very high	94.7	Very high	20 Å²	20	55.9 Å²	55.9	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.7	165.2	-54	0	0	0	0	108.7	T567 N569 F583 Q584	T567-S575 PolarHBondContact N-O 3.4Å; T567-S575 PolarHBondContact O-N 3.42Å; N569-S575 PolarHBondContact ND2-OG 3.25Å; N569-S575 VanDerWaalsContact ND2-OG 3.14Å; N569-S575 PolarHBondContact OD1-OG 3.1Å; S575-F583 CarbonylContact C-O 3.55Å; S575-F583 WeakPolarHBondContact CA-O 3.17Å; S575-Q584 PolarHBondContact OG-NE2 3.3Å; S575-Q584 VanDerWaalsContact OG-NE2 3.08Å; S575-Q584 PolarHBondContact OG-OE1 3.44Å
576	M	98.1	Very high	94.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120	-178.7	-59.9	-170.1	-179.7	0	0	110.3	C509 A512 L513 I516 I564 A565 V566 Y574 T582 F583 V585	C509-M576 HydrophobicContact CB-SD 3.75Å; A512-M576 HydrophobicContact CB-CE 4.2Å; A512-M576 HydrophobicContact CB-SD 3.95Å; L513-M576 HydrophobicContact CB-CE 3.89Å; L513-M576 HydrophobicContact CD1-CE 4.44Å; I516-M576 HydrophobicContact CD1-CE 4.25Å; I564-M576 HydrophobicContact CG2-CB 4.18Å; A565-M576 WeakPolarHBondContact O-CA 3.34Å; V566-M576 HydrophobicContact CG1-CE 4.16Å; V566-M576 HydrophobicContact CG1-CG 4.15Å; V566-M576 HydrophobicContact CG2-CG 4.14Å; V566-M576 HydrophobicContact CG2-SD 4.48Å; Y574-M576 HydrophobicContact CG-CE 4.46Å; M576-T582 CarbonylContact O-C 3.59Å; M576-T582 WeakPolarHBondContact O-CA 3.44Å; M576-F583 PolarHBondContact N-O 3.25Å; M576-F583 WeakPolarHBondContact O-CD2 3.48Å; M576-F583 PolarHBondContact O-N 3.35Å; M576-V585 HydrophobicContact CB-CG2 4.26Å; M576-V585 HydrophobicContact CE-CB 4.12Å; M576-V585 HydrophobicContact CE-CG1 3.81Å; M576-V585 HydrophobicContact CE-CG2 4.43Å; M576-V585 HydrophobicContact CG-CB 4.3Å; M576-V585 HydrophobicContact CG-CG2 3.9Å; M576-V585 HydrophobicContact SD-CB 4.25Å; M576-V585 HydrophobicContact SD-CG1 4.23Å; M576-V585 HydrophobicContact SD-CG2 3.9Å
577	Q	97.6	Very high	94.5	Very high	95 Å²	95	60 Å²	60	44%	0.444	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	175.2	-174.8	-179.1	-6.3	0	0	110.5	I564 A565 E579 K581	I564-Q577 WeakPolarHBondContact CA-O 3.28Å; A565-Q577 HydrophobicContact CB-CB 4.29Å; A565-Q577 PolarHBondContact N-O 3.07Å; A565-Q577 PolarHBondContact O-N 3.49Å; Q577-E579 PolarHBondContact NE2-O 3.41Å; Q577-E579 VanDerWaalsContact NE2-O 3.12Å; Q577-K581 CarbonylContact C-O 3.32Å; Q577-K581 VanDerWaalsContact CA-O 3.32Å; Q577-K581 WeakPolarHBondContact CA-O 3.43Å
578	I	96.2	Very high	94.5	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.9	175.3	-53.5	-178.1	0	0	0	107.9	K505 L508 V562 I564 D580 K581 F583	K505-I578 HydrophobicContact CB-CD1 4.28Å; K505-I578 HydrophobicContact CD-CB 4.37Å; K505-I578 HydrophobicContact CD-CG2 4.22Å; K505-I578 HydrophobicContact CG-CG2 4.28Å; K505-I578 PolarHBondContact NZ-O 2.76Å; L508-I578 HydrophobicContact CB-CD1 3.9Å; L508-I578 HydrophobicContact CD1-CD1 4.49Å; V562-I578 HydrophobicContact CG1-CG2 3.59Å; I564-I578 HydrophobicContact CB-CG1 4.4Å; I564-I578 HydrophobicContact CD1-CD1 4.1Å; I564-I578 HydrophobicContact CD1-CG1 4.49Å; I564-I578 HydrophobicContact CG1-CD1 4.17Å; I564-I578 HydrophobicContact CG1-CG1 4.04Å; I564-I578 HydrophobicContact CG2-CD1 4.44Å; I564-I578 HydrophobicContact CG2-CG1 3.98Å; I578-D580 PolarHBondContact O-N 3.36Å; I578-K581 PolarHBondContact N-O 2.95Å; I578-K581 PolarHBondContact O-N 3.18Å; I578-F583 HydrophobicContact CB-CE2 4.34Å; I578-F583 HydrophobicContact CG1-CE2 4.47Å
579	E	92.3	Very high	94.5	Very high	142 Å²	142	65.2 Å²	65.2	66%	0.664	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-118.5	-169.5	-54.7	168.6	166.1	0	0	110.9	K505 Q577	K505-E579 VanDerWaalsContact CE-OE2 3.31Å; K505-E579 WeakPolarHBondContact CE-OE2 3.32Å; K505-E579 IonicContact NZ-OE2 2.66Å; K505-E579 PolarHBondContact NZ-OE2 3.16Å; Q577-E579 PolarHBondContact NE2-O 3.41Å; Q577-E579 VanDerWaalsContact NE2-O 3.12Å
580	D	91.6	Very high	94.5	Very high	125 Å²	125	67 Å²	67	67%	0.668	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.1	-179.2	66.1	-36.9	0	0	0	113.9	K505 I578	K505-D580 IonicContact NZ-OD1 2.68Å; K505-D580 PolarHBondContact NZ-OD1 2.95Å; I578-D580 PolarHBondContact O-N 3.36Å
581	K	96.2	Very high	94.7	Very high	112 Å²	112	63.7 Å²	63.7	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.3	-173.9	-67.9	-176.4	-176.7	-177.7	0	112	K505 Q577 I578 F583	K505-K581 HydrophobicContact CD-CD 4.05Å; Q577-K581 CarbonylContact C-O 3.32Å; Q577-K581 VanDerWaalsContact CA-O 3.32Å; Q577-K581 WeakPolarHBondContact CA-O 3.43Å; I578-K581 PolarHBondContact N-O 2.95Å; I578-K581 PolarHBondContact O-N 3.18Å; K581-F583 HydrophobicContact CB-CE2 3.69Å; K581-F583 HydrophobicContact CB-CZ 3.92Å; K581-F583 HydrophobicContact CD-CZ 4.31Å
582	T	97.1	Very high	94.5	Very high	80 Å²	80	61.4 Å²	61.4	49%	0.491	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.3	174.1	-58.3	0	0	0	0	110.2	M576	M576-T582 CarbonylContact O-C 3.59Å; M576-T582 WeakPolarHBondContact O-CA 3.44Å
583	F	97.9	Very high	93.9	Very high	5 Å²	5	67.1 Å²	67.1	2%	0.022	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.7	-179.6	-59.1	-93	0	0	0	109.8	K505 E506 S575 M576 I578 K581 V585 V602 N603	K505-F583 HydrophobicContact CB-CE1 4.24Å; K505-F583 HydrophobicContact CB-CE2 3.85Å; K505-F583 HydrophobicContact CB-CZ 3.43Å; K505-F583 VanDerWaalsContact CB-CZ 3.43Å; K505-F583 HydrophobicContact CD-CE2 4.16Å; K505-F583 HydrophobicContact CD-CZ 3.96Å; K505-F583 HydrophobicContact CG-CZ 4.33Å; E506-F583 HydrophobicContact CG-CD1 4.48Å; E506-F583 HydrophobicContact CG-CE1 4.18Å; S575-F583 CarbonylContact C-O 3.55Å; S575-F583 WeakPolarHBondContact CA-O 3.17Å; M576-F583 PolarHBondContact N-O 3.25Å; M576-F583 WeakPolarHBondContact O-CD2 3.48Å; M576-F583 PolarHBondContact O-N 3.35Å; I578-F583 HydrophobicContact CB-CE2 4.34Å; I578-F583 HydrophobicContact CG1-CE2 4.47Å; K581-F583 HydrophobicContact CB-CE2 3.69Å; K581-F583 HydrophobicContact CB-CZ 3.92Å; K581-F583 HydrophobicContact CD-CZ 4.31Å; F583-V585 HydrophobicContact CB-CG2 3.91Å; F583-V602 HydrophobicContact CB-CG1 4.19Å; F583-V602 HydrophobicContact CD1-CG1 3.91Å; F583-V602 HydrophobicContact CG-CG1 4.43Å; F583-N603 WeakPolarHBondContact CA-OD1 3.46Å; F583-N603 WeakPolarHBondContact CD1-ND2 3.28Å
584	Q	97.6	Very high	93.1	Very high	93 Å²	93	74.6 Å²	74.6	44%	0.435	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.5	169.5	-66.4	-57.9	-41.4	0	0	108.8	S575 V602 N603	S575-Q584 PolarHBondContact OG-NE2 3.3Å; S575-Q584 VanDerWaalsContact OG-NE2 3.08Å; S575-Q584 PolarHBondContact OG-OE1 3.44Å; Q584-V602 CarbonylContact O-C 3.58Å; Q584-V602 WeakPolarHBondContact O-CA 3.24Å; Q584-N603 PolarHBondContact N-OD1 2.75Å; Q584-N603 PolarHBondContact O-N 3.36Å
585	V	97.8	Very high	92.6	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.7	-166.8	-176.5	0	0	0	0	109.6	C509 L513 Y574 M576 F583 S601 V602	C509-V585 HydrophobicContact CB-CG2 3.99Å; L513-V585 HydrophobicContact CB-CG1 4.13Å; L513-V585 HydrophobicContact CD1-CG1 4.35Å; L513-V585 HydrophobicContact CD2-CG1 3.75Å; L513-V585 HydrophobicContact CG-CG1 4.28Å; Y574-V585 PolarHBondContact N-O 3.12Å; Y574-V585 PolarHBondContact O-N 3.4Å; M576-V585 HydrophobicContact CB-CG2 4.26Å; M576-V585 HydrophobicContact CE-CB 4.12Å; M576-V585 HydrophobicContact CE-CG1 3.81Å; M576-V585 HydrophobicContact CE-CG2 4.43Å; M576-V585 HydrophobicContact CG-CB 4.3Å; M576-V585 HydrophobicContact CG-CG2 3.9Å; M576-V585 HydrophobicContact SD-CB 4.25Å; M576-V585 HydrophobicContact SD-CG1 4.23Å; M576-V585 HydrophobicContact SD-CG2 3.9Å; F583-V585 HydrophobicContact CB-CG2 3.91Å; V585-S601 WeakPolarHBondContact CA-O 3.45Å; V585-V602 HydrophobicContact CG1-CG2 4.42Å; V585-V602 HydrophobicContact CG2-CG1 4.34Å; V585-V602 HydrophobicContact CG2-CG2 4.38Å
586	L	96.3	Very high	92.3	Very high	95 Å²	95	75.7 Å²	75.7	50%	0.497	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.8	172.7	65.3	90.7	0	0	0	109.4	C600 S601	L586-C600 CarbonylContact O-C 3.53Å; L586-C600 WeakPolarHBondContact O-CA 3.43Å; L586-C600 WeakPolarHBondContact O-CB 3.29Å; L586-S601 PolarHBondContact N-O 3.47Å; L586-S601 PolarHBondContact O-N 2.81Å
587	G	95.6	Very high	92.1	Very high	14 Å²	14	77.5 Å²	77.5	14%	0.144	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.5	175.6	177.9	0	0	0	0	0	112.8	L517 K599	L517-G587 WeakPolarHBondContact CD1-O 3.31Å; G587-K599 CarbonylContact C-O 3.56Å; G587-K599 WeakPolarHBondContact CA-O 3.29Å
588	D	95.2	Very high	92.1	Very high	119 Å²	119	73 Å²	73	64%	0.636	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.6	-176.6	-67.2	-61.6	0	0	0	110.5	K599	D588-K599 PolarHBondContact N-O 3.03Å; D588-K599 PolarHBondContact O-N 3.05Å
589	L	95.3	Very high	92.1	Very high	47 Å²	47	79.4 Å²	79.4	25%	0.246	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.4	167.8	-62.8	179	0	0	0	110	L517 K518 T596 Y597 L598 L611	L517-L589 HydrophobicContact CB-CD1 3.65Å; L517-L589 HydrophobicContact CB-CD2 4.41Å; L517-L589 HydrophobicContact CB-CG 3.63Å; L517-L589 HydrophobicContact CD1-CD2 4.39Å; L517-L589 HydrophobicContact CD1-CG 4.08Å; K518-L589 HydrophobicContact CB-CD1 4.24Å; L589-T596 HydrophobicContact CB-CG2 4.41Å; L589-T596 HydrophobicContact CD1-CG2 4.43Å; L589-T596 HydrophobicContact CD2-CG2 4.19Å; L589-Y597 WeakPolarHBondContact CA-O 3.43Å; L589-L598 HydrophobicContact CD2-CB 4.07Å; L589-L598 HydrophobicContact CD2-CD1 3.88Å; L589-L611 HydrophobicContact CD1-CD2 4.38Å; L589-L611 HydrophobicContact CD2-CD2 3.64Å
590	Y	93.1	Very high	92.2	Very high	77 Å²	77	72.9 Å²	72.9	30%	0.302	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.3	168.2	66.4	-76.9	0	0	0	109.7	E592 Y597 K599 K608	Y590-E592 HydrophobicContact CE2-CB 4.38Å; Y590-Y597 VanDerWaalsContact CE1-CB 3.48Å; Y590-Y597 HydrophobicContact CE2-CD2 4.2Å; Y590-Y597 HydrophobicContact CE2-CG 4.26Å; Y590-Y597 VanDerWaalsContact CZ-CB 3.44Å; Y590-Y597 PolarHBondContact N-O 3.41Å; Y590-Y597 PolarHBondContact O-N 2.81Å; Y590-K599 HydrophobicContact CD1-CB 4.35Å; Y590-K599 HydrophobicContact CE1-CB 3.84Å; Y590-K608 WeakPolarHBondContact OH-CD 3.41Å; Y590-K608 WeakPolarHBondContact OH-CE 3.36Å; Y590-K608 WeakPolarHBondContact OH-CG 3.48Å; Y590-K608 PolarHBondContact OH-NZ 3.4Å
591	S	88.8	Confident	92.5	Very high	97 Å²	97	67.8 Å²	67.8	68%	0.678	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	136.6	179.7	-57.3	0	0	0	0	110.4	C595	S591-C595 VanDerWaalsContact CA-O 3.28Å; S591-C595 WeakPolarHBondContact CA-O 3.28Å
592	E	85.8	Confident	92.4	Very high	83 Å²	83	62.8 Å²	62.8	39%	0.388	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	125.3	176.7	176.6	177.6	-154.3	0	0	107.3	Y590 D594 C595 Y597 K608	Y590-E592 HydrophobicContact CE2-CB 4.38Å; E592-D594 PolarHBondContact O-N 2.86Å; E592-C595 PolarHBondContact N-O 3.48Å; E592-C595 WeakPolarHBondContact O-CB 3.23Å; E592-C595 PolarHBondContact O-N 2.96Å; E592-Y597 HydrophobicContact CB-CD2 4Å; E592-Y597 HydrophobicContact CB-CE2 3.85Å; E592-Y597 HydrophobicContact CG-CE2 4.47Å; E592-K608 IonicContact OE2-NZ 2.94Å; E592-K608 PolarHBondContact OE2-NZ 3.34Å
593	E	74	Confident	92.3	Very high	174 Å²	174	63.1 Å²	63.1	81%	0.813	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	53.6	177.6	-60.1	-179.8	176.7	0	0	113.3	C595	E593-C595 PolarHBondContact O-N 3.25Å
594	D	75.7	Confident	92.1	Very high	168 Å²	168	66 Å²	66	90%	0.898	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	7.8	-177.8	-57.2	-36.7	0	0	0	116.1	E592	E592-D594 PolarHBondContact O-N 2.86Å
595	C	85	Confident	91.9	Very high	11 Å²	11	66.6 Å²	66.6	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.1	174.5	-65.3	0	0	0	0	111.1	S591 E592 E593 Y597 K610	S591-C595 VanDerWaalsContact CA-O 3.28Å; S591-C595 WeakPolarHBondContact CA-O 3.28Å; E592-C595 PolarHBondContact N-O 3.48Å; E592-C595 WeakPolarHBondContact O-CB 3.23Å; E592-C595 PolarHBondContact O-N 2.96Å; E593-C595 PolarHBondContact O-N 3.25Å; C595-Y597 HydrophobicContact CB-CD2 4.24Å; C595-Y597 HydrophobicContact CB-CE2 3.56Å; C595-K610 HydrophobicContact CB-CD 4.2Å; C595-K610 HydrophobicContact CB-CG 4.31Å
596	T	91.4	Very high	91.8	Very high	51 Å²	51	70.4 Å²	70.4	31%	0.313	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.2	169.9	-59.5	0	0	0	0	109.6	L589 L611	L589-T596 HydrophobicContact CB-CG2 4.41Å; L589-T596 HydrophobicContact CD1-CG2 4.43Å; L589-T596 HydrophobicContact CD2-CG2 4.19Å; T596-L611 PolarHBondContact O-N 2.81Å
597	Y	94.5	Very high	91.6	Very high	39 Å²	39	67.5 Å²	67.5	15%	0.153	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137	177.2	-70.1	-88.2	0	0	0	110.9	L589 Y590 E592 C595 K608 A609 K610	L589-Y597 WeakPolarHBondContact CA-O 3.43Å; Y590-Y597 VanDerWaalsContact CE1-CB 3.48Å; Y590-Y597 HydrophobicContact CE2-CD2 4.2Å; Y590-Y597 HydrophobicContact CE2-CG 4.26Å; Y590-Y597 VanDerWaalsContact CZ-CB 3.44Å; Y590-Y597 PolarHBondContact N-O 3.41Å; Y590-Y597 PolarHBondContact O-N 2.81Å; E592-Y597 HydrophobicContact CB-CD2 4Å; E592-Y597 HydrophobicContact CB-CE2 3.85Å; E592-Y597 HydrophobicContact CG-CE2 4.47Å; C595-Y597 HydrophobicContact CB-CD2 4.24Å; C595-Y597 HydrophobicContact CB-CE2 3.56Å; Y597-K608 HydrophobicContact CD1-CD 4.25Å; Y597-K608 HydrophobicContact CD1-CG 4.05Å; Y597-K608 VanDerWaalsContact CE1-CE 3.45Å; Y597-A609 CarbonylContact C-O 3.44Å; Y597-A609 WeakPolarHBondContact CA-O 3.38Å; Y597-K610 HydrophobicContact CD1-CB 3.98Å; Y597-K610 HydrophobicContact CD1-CG 4.39Å; Y597-K610 HydrophobicContact CE1-CB 3.81Å; Y597-K610 HydrophobicContact CE1-CG 4.13Å; Y597-K610 WeakPolarHBondContact OH-CE 3.47Å
598	L	96.3	Very high	91.5	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.4	166.7	177.6	65.2	0	0	0	108.9	Q510 L513 L517 L589 C600 K608 A609 L611 L620	Q510-L598 HydrophobicContact CB-CD2 3.98Å; Q510-L598 VanDerWaalsContact O-CD2 3.23Å; Q510-L598 WeakPolarHBondContact O-CD2 3.19Å; L513-L598 HydrophobicContact CD2-CD1 3.88Å; L513-L598 HydrophobicContact CG-CD1 4.1Å; L517-L598 HydrophobicContact CD1-CD1 3.76Å; L589-L598 HydrophobicContact CD2-CB 4.07Å; L589-L598 HydrophobicContact CD2-CD1 3.88Å; L598-C600 HydrophobicContact CD1-CB 4.27Å; L598-C600 HydrophobicContact CG-CB 4.18Å; L598-K608 WeakPolarHBondContact O-CA 3.46Å; L598-A609 PolarHBondContact N-O 3.06Å; L598-A609 PolarHBondContact O-N 3.11Å; L598-L611 HydrophobicContact CB-CB 4.45Å; L598-L620 HydrophobicContact CD2-CD2 4.2Å
599	K	96	Very high	91.4	Very high	136 Å²	136	65.8 Å²	65.8	59%	0.591	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.3	164.2	179.4	179.7	-179.7	-173.7	0	107.6	G587 D588 Y590 S607	G587-K599 CarbonylContact C-O 3.56Å; G587-K599 WeakPolarHBondContact CA-O 3.29Å; D588-K599 PolarHBondContact N-O 3.03Å; D588-K599 PolarHBondContact O-N 3.05Å; Y590-K599 HydrophobicContact CD1-CB 4.35Å; Y590-K599 HydrophobicContact CE1-CB 3.84Å; K599-S607 WeakPolarHBondContact CA-O 3.4Å
600	C	95.6	Very high	91.3	Very high	4 Å²	4	63.9 Å²	63.9	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.3	-177.8	66.5	0	0	0	0	112.4	L513 L586 L598 A606 S607	L513-C600 HydrophobicContact CD2-CB 3.44Å; L513-C600 VanDerWaalsContact CD2-CB 3.44Å; L586-C600 CarbonylContact O-C 3.53Å; L586-C600 WeakPolarHBondContact O-CA 3.43Å; L586-C600 WeakPolarHBondContact O-CB 3.29Å; L598-C600 HydrophobicContact CD1-CB 4.27Å; L598-C600 HydrophobicContact CG-CB 4.18Å; C600-A606 CarbonylContact O-C 3.55Å; C600-A606 WeakPolarHBondContact O-CA 3.37Å; C600-S607 PolarHBondContact N-O 2.87Å; C600-S607 PolarHBondContact O-N 2.6Å; C600-S607 PolarHBondContact SG-OG 3.46Å
601	S	96.5	Very high	91.4	Very high	19 Å²	19	60.5 Å²	60.5	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.6	167.7	-174.1	0	0	0	0	108.6	V585 L586 G604 V605	V585-S601 WeakPolarHBondContact CA-O 3.45Å; L586-S601 PolarHBondContact N-O 3.47Å; L586-S601 PolarHBondContact O-N 2.81Å; S601-G604 WeakPolarHBondContact OG-CA 3.35Å; S601-G604 PolarHBondContact OG-N 2.72Å; S601-G604 PolarHBondContact OG-O 3.18Å; S601-V605 VanDerWaalsContact CA-O 3.3Å; S601-V605 WeakPolarHBondContact CA-O 3.48Å; S601-V605 PolarHBondContact OG-N 2.78Å
602	V	96	Very high	91.7	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.1	172.4	-178.5	0	0	0	0	107	E506 C509 Q510 F583 Q584 V585 G604 V605	E506-V602 HydrophobicContact CB-CG1 4.17Å; E506-V602 HydrophobicContact CG-CG1 3.96Å; C509-V602 HydrophobicContact CB-CG1 4.47Å; C509-V602 HydrophobicContact CB-CG2 4.36Å; Q510-V602 HydrophobicContact CG-CG2 4.31Å; F583-V602 HydrophobicContact CB-CG1 4.19Å; F583-V602 HydrophobicContact CD1-CG1 3.91Å; F583-V602 HydrophobicContact CG-CG1 4.43Å; Q584-V602 CarbonylContact O-C 3.58Å; Q584-V602 WeakPolarHBondContact O-CA 3.24Å; V585-V602 HydrophobicContact CG1-CG2 4.42Å; V585-V602 HydrophobicContact CG2-CG1 4.34Å; V585-V602 HydrophobicContact CG2-CG2 4.38Å; V602-G604 PolarHBondContact O-N 3.36Å; V602-V605 PolarHBondContact N-O 3.28Å; V602-V605 VanDerWaalsContact N-O 3.11Å; V602-V605 PolarHBondContact O-N 3.13Å
603	N	94.9	Very high	91.9	Very high	86 Å²	86	54.7 Å²	54.7	46%	0.46	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	38.6	-173.9	-67.1	-18.1	0	0	0	113.6	F583 Q584 V605	F583-N603 WeakPolarHBondContact CA-OD1 3.46Å; F583-N603 WeakPolarHBondContact CD1-ND2 3.28Å; Q584-N603 PolarHBondContact N-OD1 2.75Å; Q584-N603 PolarHBondContact O-N 3.36Å; N603-V605 VanDerWaalsContact C-N 3.31Å; N603-V605 PolarHBondContact O-N 3.31Å
604	G	92.9	Very high	92.5	Very high	65 Å²	65	49.1 Å²	49.1	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-10.3	-179.9	0	0	0	0	0	114.9	S601 V602 A606	S601-G604 WeakPolarHBondContact OG-CA 3.35Å; S601-G604 PolarHBondContact OG-N 2.72Å; S601-G604 PolarHBondContact OG-O 3.18Å; V602-G604 PolarHBondContact O-N 3.36Å; G604-A606 PolarHBondContact O-N 2.95Å
605	V	94.2	Very high	92.8	Very high	107 Å²	107	49.6 Å²	49.6	65%	0.648	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.6	177.7	-176.3	0	0	0	0	110	S601 V602 N603	S601-V605 VanDerWaalsContact CA-O 3.3Å; S601-V605 WeakPolarHBondContact CA-O 3.48Å; S601-V605 PolarHBondContact OG-N 2.78Å; V602-V605 PolarHBondContact N-O 3.28Å; V602-V605 VanDerWaalsContact N-O 3.11Å; V602-V605 PolarHBondContact O-N 3.13Å; N603-V605 VanDerWaalsContact C-N 3.31Å; N603-V605 PolarHBondContact O-N 3.31Å
606	A	94.3	Very high	92.9	Very high	80 Å²	80	52.6 Å²	52.6	66%	0.661	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	138	178.1	0	0	0	0	0	112	C600 G604	C600-A606 CarbonylContact O-C 3.55Å; C600-A606 WeakPolarHBondContact O-CA 3.37Å; G604-A606 PolarHBondContact O-N 2.95Å
607	S	93.1	Very high	92.9	Very high	34 Å²	34	51.2 Å²	51.2	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.7	179.5	58.4	0	0	0	0	111.6	Q510 K599 C600	Q510-S607 PolarHBondContact NE2-OG 3.48Å; K599-S607 WeakPolarHBondContact CA-O 3.4Å; C600-S607 PolarHBondContact N-O 2.87Å; C600-S607 PolarHBondContact O-N 2.6Å; C600-S607 PolarHBondContact SG-OG 3.46Å
608	K	92.8	Very high	92.9	Very high	94 Å²	94	49.3 Å²	49.3	41%	0.409	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.3	172.9	175.6	-178.2	175	154.5	0	107.4	Y590 E592 Y597 L598	Y590-K608 WeakPolarHBondContact OH-CD 3.41Å; Y590-K608 WeakPolarHBondContact OH-CE 3.36Å; Y590-K608 WeakPolarHBondContact OH-CG 3.48Å; Y590-K608 PolarHBondContact OH-NZ 3.4Å; E592-K608 IonicContact OE2-NZ 2.94Å; E592-K608 PolarHBondContact OE2-NZ 3.34Å; Y597-K608 HydrophobicContact CD1-CD 4.25Å; Y597-K608 HydrophobicContact CD1-CG 4.05Å; Y597-K608 VanDerWaalsContact CE1-CE 3.45Å; L598-K608 WeakPolarHBondContact O-CA 3.46Å
609	A	93.4	Very high	92.8	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.9	173.2	0	0	0	0	0	109.8	Y597 L598 L620 F621	Y597-A609 CarbonylContact C-O 3.44Å; Y597-A609 WeakPolarHBondContact CA-O 3.38Å; L598-A609 PolarHBondContact N-O 3.06Å; L598-A609 PolarHBondContact O-N 3.11Å; A609-L620 HydrophobicContact CB-CB 4.47Å; A609-L620 HydrophobicContact CB-CD2 4.06Å; A609-F621 CarbonylContact C-O 3.52Å; A609-F621 VanDerWaalsContact CA-O 3.26Å; A609-F621 WeakPolarHBondContact CA-O 3.32Å
610	K	93.8	Very high	92.7	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.6	168.2	-169.2	-174.5	-68.1	158.2	0	108.3	H404 S406 N459 C595 Y597 L620 F621	H404-K610 WeakPolarHBondContact NE2-CD 3.27Å; S406-K610 PolarHBondContact OG-NZ 3.31Å; N459-K610 PolarHBondContact OD1-NZ 3.22Å; C595-K610 HydrophobicContact CB-CD 4.2Å; C595-K610 HydrophobicContact CB-CG 4.31Å; Y597-K610 HydrophobicContact CD1-CB 3.98Å; Y597-K610 HydrophobicContact CD1-CG 4.39Å; Y597-K610 HydrophobicContact CE1-CB 3.81Å; Y597-K610 HydrophobicContact CE1-CG 4.13Å; Y597-K610 WeakPolarHBondContact OH-CE 3.47Å; K610-L620 CarbonylContact O-C 3.58Å; K610-L620 WeakPolarHBondContact O-CA 3.46Å; K610-F621 HydrophobicContact CB-CB 4.16Å; K610-F621 HydrophobicContact CB-CD2 4.45Å; K610-F621 PolarHBondContact N-O 3.03Å; K610-F621 PolarHBondContact O-N 3.43Å
611	L	95	Very high	92.5	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.1	-176.4	174.4	67.9	0	0	0	109.7	L589 T596 L598 I613 I618 L620	L589-L611 HydrophobicContact CD1-CD2 4.38Å; L589-L611 HydrophobicContact CD2-CD2 3.64Å; T596-L611 PolarHBondContact O-N 2.81Å; L598-L611 HydrophobicContact CB-CB 4.45Å; L611-I613 HydrophobicContact CD1-CD1 4.03Å; L611-I613 HydrophobicContact CD1-CG1 3.81Å; L611-I613 HydrophobicContact CD2-CD1 4.23Å; L611-I613 HydrophobicContact CG-CD1 4.34Å; L611-I613 HydrophobicContact CG-CG1 4.17Å; L611-I618 HydrophobicContact CD1-CG2 3.67Å; L611-L620 HydrophobicContact CB-CD2 4.12Å; L611-L620 HydrophobicContact CD1-CD2 3.62Å; L611-L620 HydrophobicContact CD1-CG 4.31Å; L611-L620 HydrophobicContact CG-CD2 4.47Å
612	I	93.8	Very high	92.1	Very high	29 Å²	29	46 Å²	46	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.5	168.4	-52.9	-64.6	0	0	0	107.2	H404 V461 Y619 F621	H404-I612 HydrophobicContact CB-CG1 4.44Å; V461-I612 HydrophobicContact CG2-CB 4.47Å; V461-I612 HydrophobicContact CG2-CG2 4.33Å; I612-Y619 PolarHBondContact N-O 3.39Å; I612-Y619 PolarHBondContact O-N 3.28Å; I612-F621 HydrophobicContact CG1-CE2 4.25Å
613	I	90.8	Very high	91.3	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.8	173	-60.6	177	0	0	0	106.2	L515 K518 L611 T617 I618	L515-I613 HydrophobicContact CD1-CD1 4.34Å; K518-I613 HydrophobicContact CB-CD1 4.22Å; K518-I613 HydrophobicContact CD-CB 4.05Å; K518-I613 HydrophobicContact CD-CD1 3.67Å; K518-I613 HydrophobicContact CD-CG1 4.21Å; K518-I613 PolarHBondContact NZ-O 2.92Å; L611-I613 HydrophobicContact CD1-CD1 4.03Å; L611-I613 HydrophobicContact CD1-CG1 3.81Å; L611-I613 HydrophobicContact CD2-CD1 4.23Å; L611-I613 HydrophobicContact CG-CD1 4.34Å; L611-I613 HydrophobicContact CG-CG1 4.17Å; I613-T617 WeakPolarHBondContact CA-O 3.43Å; I613-I618 HydrophobicContact CD1-CG1 4.34Å; I613-I618 HydrophobicContact CG1-CB 4.42Å; I613-I618 HydrophobicContact CG1-CG1 4.14Å; I613-I618 HydrophobicContact CG1-CG2 4.14Å
614	L	85.9	Confident	90.5	Very high	57 Å²	57	55 Å²	55	30%	0.298	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.4	-179.8	-179	65.5	0	0	0	108.1	V403 V461 N616 T617 Y619	V403-L614 HydrophobicContact CB-CD2 4.31Å; V403-L614 HydrophobicContact CG1-CD1 3.96Å; V403-L614 HydrophobicContact CG1-CD2 3.97Å; V403-L614 HydrophobicContact CG2-CD2 4.25Å; V461-L614 HydrophobicContact CG1-CD2 3.86Å; L614-N616 PolarHBondContact O-N 2.75Å; L614-T617 PolarHBondContact N-O 2.8Å; L614-T617 PolarHBondContact O-N 3.24Å; L614-Y619 HydrophobicContact CB-CE2 4.23Å
615	E	82.3	Confident	89.8	Confident	178 Å²	178	52.8 Å²	52.8	83%	0.832	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-112.5	-173.6	-58.9	-178.4	177.3	0	0	111.3
616	N	86.6	Confident	89.5	Confident	74 Å²	74	50.1 Å²	50.1	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	22.4	-179.9	-67.5	-26	0	0	0	112.5	L614 D630 I631 V633	L614-N616 PolarHBondContact O-N 2.75Å; N616-D630 CarbonylContact O-C 3.49Å; N616-D630 WeakPolarHBondContact O-CA 2.99Å; N616-I631 HydrophobicContact CB-CB 4.25Å; N616-I631 WeakPolarHBondContact O-CB 3.39Å; N616-I631 PolarHBondContact O-N 3.06Å; N616-V633 WeakPolarHBondContact ND2-CG2 3.47Å
617	T	91.6	Very high	89.3	Confident	21 Å²	21	48.1 Å²	48.1	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	-178.9	-54.5	0	0	0	0	111	I613 L614 Y619 E628 D630	I613-T617 WeakPolarHBondContact CA-O 3.43Å; L614-T617 PolarHBondContact N-O 2.8Å; L614-T617 PolarHBondContact O-N 3.24Å; T617-Y619 HydrophobicContact CG2-CD2 4.24Å; T617-Y619 HydrophobicContact CG2-CE1 4.05Å; T617-Y619 HydrophobicContact CG2-CE2 3.58Å; T617-Y619 VanDerWaalsContact CG2-CZ 3.45Å; T617-Y619 WeakPolarHBondContact CG2-OH 3.27Å; T617-E628 HydrophobicContact CG2-CG 3.36Å; T617-D630 WeakPolarHBondContact CG2-OD1 3.2Å; T617-D630 PolarHBondContact OG1-OD1 3.3Å
618	I	94.5	Very high	89.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.9	180	-53.9	171.5	0	0	0	108	A511 L515 L555 L611 I613 L620 E628 I629 I631	A511-I618 HydrophobicContact CB-CD1 4.3Å; A511-I618 HydrophobicContact CB-CG2 4.18Å; L515-I618 HydrophobicContact CB-CD1 4.16Å; L555-I618 HydrophobicContact CD2-CD1 4.23Å; L611-I618 HydrophobicContact CD1-CG2 3.67Å; I613-I618 HydrophobicContact CD1-CG1 4.34Å; I613-I618 HydrophobicContact CG1-CB 4.42Å; I613-I618 HydrophobicContact CG1-CG1 4.14Å; I613-I618 HydrophobicContact CG1-CG2 4.14Å; I618-L620 HydrophobicContact CG2-CG 4.36Å; I618-E628 CarbonylContact O-C 3.6Å; I618-E628 WeakPolarHBondContact O-CA 3.19Å; I618-I629 HydrophobicContact CB-CB 4.44Å; I618-I629 WeakPolarHBondContact CB-O 3.37Å; I618-I629 PolarHBondContact N-O 2.75Å; I618-I629 PolarHBondContact O-N 2.91Å; I618-I631 HydrophobicContact CD1-CD1 4.01Å; I618-I631 HydrophobicContact CD1-CG1 3.98Å; I618-I631 HydrophobicContact CG1-CD1 3.99Å; I618-I631 HydrophobicContact CG1-CG1 4.12Å
619	Y	94.6	Very high	89.3	Confident	40 Å²	40	45.2 Å²	45.2	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.5	172.6	-57.1	-90	0	0	0	109.3	V461 I612 L614 T617 I627 E628	V461-Y619 HydrophobicContact CG1-CD2 3.83Å; V461-Y619 HydrophobicContact CG1-CE1 4.28Å; V461-Y619 HydrophobicContact CG1-CE2 3.52Å; V461-Y619 HydrophobicContact CG1-CG 4.34Å; V461-Y619 HydrophobicContact CG2-CD1 4.1Å; V461-Y619 HydrophobicContact CG2-CD2 4.06Å; V461-Y619 HydrophobicContact CG2-CG 3.86Å; I612-Y619 PolarHBondContact N-O 3.39Å; I612-Y619 PolarHBondContact O-N 3.28Å; L614-Y619 HydrophobicContact CB-CE2 4.23Å; T617-Y619 HydrophobicContact CG2-CD2 4.24Å; T617-Y619 HydrophobicContact CG2-CE1 4.05Å; T617-Y619 HydrophobicContact CG2-CE2 3.58Å; T617-Y619 VanDerWaalsContact CG2-CZ 3.45Å; T617-Y619 WeakPolarHBondContact CG2-OH 3.27Å; Y619-I627 WeakPolarHBondContact CA-O 3.33Å; Y619-E628 HydrophobicContact CD1-CB 4.14Å; Y619-E628 HydrophobicContact CD1-CG 4Å; Y619-E628 HydrophobicContact CE1-CB 4.09Å; Y619-E628 VanDerWaalsContact CE1-CD 3.48Å; Y619-E628 HydrophobicContact CE1-CG 3.52Å; Y619-E628 VanDerWaalsContact CE1-OE1 3.28Å; Y619-E628 WeakPolarHBondContact CE1-OE1 3.43Å; Y619-E628 PolarHBondContact OH-OE1 2.86Å
620	L	94.1	Very high	89.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	169.9	-68.5	166.4	0	0	0	109.4	Q510 A511 L598 A609 K610 L611 I618 S626 I627	Q510-L620 HydrophobicContact CB-CD1 3.72Å; A511-L620 HydrophobicContact CB-CD1 3.96Å; L598-L620 HydrophobicContact CD2-CD2 4.2Å; A609-L620 HydrophobicContact CB-CB 4.47Å; A609-L620 HydrophobicContact CB-CD2 4.06Å; K610-L620 CarbonylContact O-C 3.58Å; K610-L620 WeakPolarHBondContact O-CA 3.46Å; L611-L620 HydrophobicContact CB-CD2 4.12Å; L611-L620 HydrophobicContact CD1-CD2 3.62Å; L611-L620 HydrophobicContact CD1-CG 4.31Å; L611-L620 HydrophobicContact CG-CD2 4.47Å; I618-L620 HydrophobicContact CG2-CG 4.36Å; L620-S626 WeakPolarHBondContact O-CA 3.43Å; L620-I627 HydrophobicContact CB-CD1 4.09Å; L620-I627 HydrophobicContact CB-CG1 3.62Å; L620-I627 HydrophobicContact CD1-CD1 3.66Å; L620-I627 HydrophobicContact CD1-CG1 4.17Å; L620-I627 HydrophobicContact CG-CD1 4.39Å; L620-I627 HydrophobicContact CG-CG1 4.39Å; L620-I627 PolarHBondContact N-O 3.48Å; L620-I627 PolarHBondContact O-N 2.94Å
621	F	92.6	Very high	89	Confident	18 Å²	18	48.6 Å²	48.6	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.3	175.6	-55.9	-87	0	0	0	110.1	N459 V461 A609 K610 I612	N459-F621 HydrophobicContact CB-CB 4.39Å; N459-F621 HydrophobicContact CB-CD1 3.64Å; N459-F621 HydrophobicContact CB-CD2 4.01Å; N459-F621 HydrophobicContact CB-CE1 3.83Å; N459-F621 HydrophobicContact CB-CE2 4.15Å; N459-F621 HydrophobicContact CB-CG 3.75Å; N459-F621 HydrophobicContact CB-CZ 4.08Å; N459-F621 VanDerWaalsContact CG-CD1 3.49Å; N459-F621 VanDerWaalsContact CG-CG 3.44Å; N459-F621 VanDerWaalsContact ND2-CD1 3.26Å; N459-F621 WeakPolarHBondContact ND2-CD1 3.36Å; N459-F621 WeakPolarHBondContact OD1-CB 3.22Å; V461-F621 HydrophobicContact CG2-CE2 3.86Å; V461-F621 HydrophobicContact CG2-CZ 3.67Å; A609-F621 CarbonylContact C-O 3.52Å; A609-F621 VanDerWaalsContact CA-O 3.26Å; A609-F621 WeakPolarHBondContact CA-O 3.32Å; K610-F621 HydrophobicContact CB-CB 4.16Å; K610-F621 HydrophobicContact CB-CD2 4.45Å; K610-F621 PolarHBondContact N-O 3.03Å; K610-F621 PolarHBondContact O-N 3.43Å; I612-F621 HydrophobicContact CG1-CE2 4.25Å
622	S	87.8	Confident	88.5	Confident	30 Å²	30	50.4 Å²	50.4	21%	0.21	26%	0.259	C	S	.	.			trans	-127	176.4	-177.7	70.6	0	0	0	0	111.2	E624 G625	S622-E624 WeakPolarHBondContact CB-OE2 3.4Å; S622-E624 PolarHBondContact O-N 3.2Å; S622-E624 PolarHBondContact OG-N 2.93Å; S622-E624 PolarHBondContact OG-OE2 3.34Å; S622-G625 PolarHBondContact N-O 3.32Å; S622-G625 PolarHBondContact O-N 2.94Å; S622-G625 PolarHBondContact OG-N 2.64Å; S622-G625 PolarHBondContact OG-O 2.92Å
623	K	78.9	Confident	87.7	Confident	129 Å²	129	52.7 Å²	52.7	56%	0.561	27%	0.274	S	S	*	.	S	Bend	trans	-72.9	-11.3	174.1	-72.7	-173.2	177	-176.9	0	112.5	R456	R456-K623 WeakPolarHBondContact CD-O 3.19Å; R456-K623 PolarHBondContact NH1-O 3.36Å
624	E	76.8	Confident	87	Confident	152 Å²	152	53.7 Å²	53.7	71%	0.71	28%	0.283	S	S	*	.	S	Bend	trans	-94.6	-18.7	-179.6	-62.8	67.8	-146.4	0	0	111.4	S622	S622-E624 WeakPolarHBondContact CB-OE2 3.4Å; S622-E624 PolarHBondContact O-N 3.2Å; S622-E624 PolarHBondContact OG-N 2.93Å; S622-E624 PolarHBondContact OG-OE2 3.34Å
625	G	79.4	Confident	86.3	Confident	18 Å²	18	60 Å²	60	19%	0.186	31%	0.308	C	S	.	.			trans	144.7	-173.7	178.9	0	0	0	0	0	112.5	S622	S622-G625 PolarHBondContact N-O 3.32Å; S622-G625 PolarHBondContact O-N 2.94Å; S622-G625 PolarHBondContact OG-N 2.64Å; S622-G625 PolarHBondContact OG-O 2.92Å
626	S	87.1	Confident	85.9	Confident	51 Å²	51	60 Å²	60	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.4	171.5	41.1	0	0	0	0	111.9	L620	L620-S626 WeakPolarHBondContact O-CA 3.43Å
627	I	89.6	Confident	84.9	Confident	39 Å²	39	61 Å²	61	20%	0.2	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.7	165.2	62.9	157.7	0	0	0	109.9	Y619 L620 I629	Y619-I627 WeakPolarHBondContact CA-O 3.33Å; L620-I627 HydrophobicContact CB-CD1 4.09Å; L620-I627 HydrophobicContact CB-CG1 3.62Å; L620-I627 HydrophobicContact CD1-CD1 3.66Å; L620-I627 HydrophobicContact CD1-CG1 4.17Å; L620-I627 HydrophobicContact CG-CD1 4.39Å; L620-I627 HydrophobicContact CG-CG1 4.39Å; L620-I627 PolarHBondContact N-O 3.48Å; L620-I627 PolarHBondContact O-N 2.94Å; I627-I629 HydrophobicContact CD1-CG1 3.99Å
628	E	91.8	Very high	83.2	Confident	67 Å²	67	62.5 Å²	62.5	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.4	179.7	176.6	178.2	-156.5	0	0	108.6	R500 T617 I618 Y619	R500-E628 VanDerWaalsContact CZ-O 3.23Å; R500-E628 PolarHBondContact NH1-O 3.27Å; R500-E628 PolarHBondContact NH2-O 3.34Å; T617-E628 HydrophobicContact CG2-CG 3.36Å; I618-E628 CarbonylContact O-C 3.6Å; I618-E628 WeakPolarHBondContact O-CA 3.19Å; Y619-E628 HydrophobicContact CD1-CB 4.14Å; Y619-E628 HydrophobicContact CD1-CG 4Å; Y619-E628 HydrophobicContact CE1-CB 4.09Å; Y619-E628 VanDerWaalsContact CE1-CD 3.48Å; Y619-E628 HydrophobicContact CE1-CG 3.52Å; Y619-E628 VanDerWaalsContact CE1-OE1 3.28Å; Y619-E628 WeakPolarHBondContact CE1-OE1 3.43Å; Y619-E628 PolarHBondContact OH-OE1 2.86Å
629	I	94.3	Very high	80.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.1	-175.6	-58.3	-61.5	0	0	0	109.6	A503 L508 A511 L555 D557 I618 I627	A503-I629 HydrophobicContact CB-CD1 4.03Å; L508-I629 HydrophobicContact CD2-CD1 3.77Å; L508-I629 HydrophobicContact CD2-CG1 4.29Å; L508-I629 HydrophobicContact CD2-CG2 4.38Å; A511-I629 HydrophobicContact CB-CB 4.29Å; A511-I629 HydrophobicContact CB-CG1 4.18Å; A511-I629 HydrophobicContact CB-CG2 4.44Å; L555-I629 HydrophobicContact CB-CG2 3.66Å; L555-I629 HydrophobicContact CD1-CG2 3.95Å; L555-I629 HydrophobicContact CD2-CG2 4.31Å; L555-I629 HydrophobicContact CG-CG2 4.18Å; D557-I629 HydrophobicContact CB-CD1 4.16Å; I618-I629 HydrophobicContact CB-CB 4.44Å; I618-I629 WeakPolarHBondContact CB-O 3.37Å; I618-I629 PolarHBondContact N-O 2.75Å; I618-I629 PolarHBondContact O-N 2.91Å; I627-I629 HydrophobicContact CD1-CG1 3.99Å
630	D	92.5	Very high	78.4	Confident	41 Å²	41	71.3 Å²	71.3	22%	0.219	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	151.5	179	-70	-30.4	0	0	0	111.2	K556 N616 T617	K556-D630 HydrophobicContact CB-CB 3.89Å; K556-D630 HydrophobicContact CD-CB 4.16Å; K556-D630 HydrophobicContact CG-CB 4.28Å; K556-D630 PolarHBondContact N-O 2.96Å; K556-D630 PolarHBondContact O-N 2.66Å; N616-D630 CarbonylContact O-C 3.49Å; N616-D630 WeakPolarHBondContact O-CA 2.99Å; T617-D630 WeakPolarHBondContact CG2-OD1 3.2Å; T617-D630 PolarHBondContact OG1-OD1 3.3Å
631	I	89.1	Confident	75.7	Confident	39 Å²	39	76.2 Å²	76.2	20%	0.2	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-103.5	118.7	170.4	-55	172.6	0	0	0	106	L515 L555 N616 I618 V633	L515-I631 HydrophobicContact CD1-CD1 3.85Å; L515-I631 HydrophobicContact CD2-CD1 3.99Å; L555-I631 HydrophobicContact CD2-CG1 4.47Å; N616-I631 HydrophobicContact CB-CB 4.25Å; N616-I631 WeakPolarHBondContact O-CB 3.39Å; N616-I631 PolarHBondContact O-N 3.06Å; I618-I631 HydrophobicContact CD1-CD1 4.01Å; I618-I631 HydrophobicContact CD1-CG1 3.98Å; I618-I631 HydrophobicContact CG1-CD1 3.99Å; I618-I631 HydrophobicContact CG1-CG1 4.12Å; I631-V633 PolarHBondContact O-N 2.97Å
632	P	85.4	Confident	72.8	Confident	45 Å²	45	80 Å²	80	29%	0.292	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.8	128.9	178.9	-22.2	31.9	0	0	0	111.4	T554 K556 P634	T554-P632 HydrophobicContact CG2-CG 3.86Å; T554-P632 WeakPolarHBondContact O-CD 3.43Å; K556-P632 HydrophobicContact CB-CG 4.3Å; P632-P634 WeakPolarHBondContact O-CD 3.29Å
633	V	76.4	Confident	70.2	Confident	76 Å²	76	88.2 Å²	88.2	46%	0.461	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-63.8	128.3	171.1	-179.5	0	0	0	0	108.5	N616 I631 K635 L637	N616-V633 WeakPolarHBondContact ND2-CG2 3.47Å; I631-V633 PolarHBondContact O-N 2.97Å; V633-K635 PolarHBondContact O-N 3.49Å; V633-L637 HydrophobicContact CG1-CB 3.94Å
634	P	75	Confident	68.1	Low	51 Å²	51	85.1 Å²	85.1	33%	0.331	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-57.1	138.6	176.2	-25.1	32.7	0	0	0	112.4	P632 Y636 L637 S638	P632-P634 WeakPolarHBondContact O-CD 3.29Å; P634-Y636 HydrophobicContact CB-CD1 3.67Å; P634-Y636 HydrophobicContact CB-CE1 3.21Å; P634-Y636 HydrophobicContact CB-CE2 4.35Å; P634-Y636 HydrophobicContact CB-CG 4.4Å; P634-Y636 HydrophobicContact CG-CE1 4.07Å; P634-Y636 PolarHBondContact O-N 3.04Å; P634-L637 HydrophobicContact CG-CD1 4.3Å; P634-L637 PolarHBondContact O-N 3.45Å; P634-S638 PolarHBondContact O-N 3.06Å
635	K	72.6	Confident	66.2	Low	188 Å²	188	84 Å²	84	82%	0.817	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.5	-175.8	-67.8	-174.1	178.9	-177.5	0	114.4	V633 L637 S638	V633-K635 PolarHBondContact O-N 3.49Å; K635-L637 VanDerWaalsContact C-N 3.28Å; K635-L637 PolarHBondContact O-N 3Å; K635-S638 WeakPolarHBondContact CA-OG 3.37Å; K635-S638 PolarHBondContact O-N 2.94Å; K635-S638 PolarHBondContact O-OG 3.34Å
636	Y	74.1	Confident	64.7	Low	178 Å²	178	87.9 Å²	87.9	70%	0.698	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.7	178.7	64.1	-96.7	0	0	0	113.6	P634	P634-Y636 HydrophobicContact CB-CD1 3.67Å; P634-Y636 HydrophobicContact CB-CE1 3.21Å; P634-Y636 HydrophobicContact CB-CE2 4.35Å; P634-Y636 HydrophobicContact CB-CG 4.4Å; P634-Y636 HydrophobicContact CG-CE1 4.07Å; P634-Y636 PolarHBondContact O-N 3.04Å
637	L	63.8	Low	63.4	Low	97 Å²	97	88 Å²	88	51%	0.508	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-21.4	172.5	-66.4	173.3	0	0	0	112.2	V633 P634 K635 S639	V633-L637 HydrophobicContact CG1-CB 3.94Å; P634-L637 HydrophobicContact CG-CD1 4.3Å; P634-L637 PolarHBondContact O-N 3.45Å; K635-L637 VanDerWaalsContact C-N 3.28Å; K635-L637 PolarHBondContact O-N 3Å; L637-S639 VanDerWaalsContact C-N 3.29Å; L637-S639 PolarHBondContact O-N 2.91Å
638	S	56.1	Low	62.2	Low	51 Å²	51	86.8 Å²	86.8	36%	0.357	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-73.8	-12.8	-177.4	53.8	0	0	0	0	115	P634 K635 V640	P634-S638 PolarHBondContact O-N 3.06Å; K635-S638 WeakPolarHBondContact CA-OG 3.37Å; K635-S638 PolarHBondContact O-N 2.94Å; K635-S638 PolarHBondContact O-OG 3.34Å; S638-V640 PolarHBondContact O-N 3.43Å
639	S	43.4	Very low	61.5	Low	93 Å²	93	84.4 Å²	84.4	65%	0.65	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-76.6	1.5	-177	50.5	0	0	0	0	115	L637	L637-S639 VanDerWaalsContact C-N 3.29Å; L637-S639 PolarHBondContact O-N 2.91Å
640	V	44.8	Very low	61.1	Low	132 Å²	132	87.3 Å²	87.3	80%	0.8	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-107.5	-4.5	-176.8	-162	0	0	0	0	112.6	S638	S638-V640 PolarHBondContact O-N 3.43Å
641	S	37.7	Very low	60.6	Low	106 Å²	106	85.4 Å²	85.4	74%	0.741	50%	0.501	S	S	*	.	S	Bend	trans	-132.2	18.9	-169.6	57.1	0	0	0	0	115.1
642	S	33.1	Very low	59.8	Low	98 Å²	98	85 Å²	85	69%	0.685	50%	0.501	S	S	*	.			trans	-133.2	54.1	179.2	62.9	0	0	0	0	112.3
643	E	31.2	Very low	59.5	Low	202 Å²	202	83 Å²	83	94%	0.944	49%	0.488	S	S	*	.	S	Bend	trans	-99.5	106.4	160.7	-76.3	-171.2	161.8	0	0	109.4
644	G	36.4	Very low	59.7	Low	64 Å²	64	81.2 Å²	81.2	66%	0.66	48%	0.477	S	S	*	.			trans	77.3	71.8	149.9	0	0	0	0	0	118.9	Q646	G644-Q646 VanDerWaalsContact C-N 3.28Å; G644-Q646 PolarHBondContact O-N 3.27Å
645	T	37.1	Very low	60.1	Low	127 Å²	127	78.9 Å²	78.9	78%	0.779	46%	0.462	S	S	*	.			trans	-73.5	87.2	158.5	-36	0	0	0	0	109	L650	T645-L650 HydrophobicContact CG2-CD1 4.44Å
646	Q	47.8	Very low	60.6	Low	100 Å²	100	71.9 Å²	71.9	47%	0.467	44%	0.435	S	S	.	.			trans	-60.9	135.2	174.3	-70.9	-169	-28.5	0	0	110.6	G644 G648 E713	G644-Q646 VanDerWaalsContact C-N 3.28Å; G644-Q646 PolarHBondContact O-N 3.27Å; Q646-G648 PolarHBondContact O-N 3.48Å; Q646-E713 PolarHBondContact OE1-OE1 3.48Å; Q646-E713 VanDerWaalsContact OE1-OE1 3.05Å
647	G	58.9	Low	61.2	Low	55 Å²	55	63.4 Å²	63.4	57%	0.567	40%	0.402	S	S	*	.	S	Bend	trans	-70.8	47	-160.1	0	0	0	0	0	117.9
648	G	65.1	Low	62.2	Low	12 Å²	12	63.2 Å²	63.2	12%	0.124	40%	0.399	C	S	.	.	S	Bend	trans	-123	168.6	173	0	0	0	0	0	114	Q646 L650 V712	Q646-G648 PolarHBondContact O-N 3.48Å; G648-L650 PolarHBondContact O-N 3.35Å; G648-V712 VanDerWaalsContact CA-O 3.29Å; G648-V712 WeakPolarHBondContact CA-O 3.28Å
649	P	77.3	Confident	63.5	Low	18 Å²	18	66 Å²	66	12%	0.117	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-67.1	132.8	-175.2	24.3	-31.4	0	0	0	111.4	L674 I686 L711 V712	P649-L674 HydrophobicContact CG-CD1 3.56Å; P649-I686 HydrophobicContact CB-CG2 3.9Å; P649-I686 HydrophobicContact CG-CG2 4.15Å; P649-L711 WeakPolarHBondContact O-CB 3.48Å; P649-L711 PolarHBondContact O-N 2.93Å; P649-V712 HydrophobicContact CG-CB 4.23Å
650	L	84.8	Confident	65.7	Low	61 Å²	61	63.2 Å²	63.2	32%	0.319	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-89.9	155.2	173.6	-54.7	-179.5	0	0	0	110.5	T645 G648 P652 T709 P710	T645-L650 HydrophobicContact CG2-CD1 4.44Å; G648-L650 PolarHBondContact O-N 3.35Å; L650-P652 VanDerWaalsContact O-CD 3.29Å; L650-P652 WeakPolarHBondContact O-CD 3.34Å; L650-T709 CarbonylContact C-O 3.53Å; L650-T709 WeakPolarHBondContact CA-O 3.47Å; L650-P710 HydrophobicContact CD2-CB 3.98Å
651	A	81.4	Confident	67.8	Low	1 Å²	1	61.9 Å²	61.9	1%	0.008	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.6	116.6	173.2	0	0	0	0	0	110.1	M653 A705 N706 H708 T709 L711	A651-M653 PolarHBondContact O-N 3.48Å; A651-A705 HydrophobicContact CB-CB 4.42Å; A651-N706 VanDerWaalsContact CB-O 3.29Å; A651-N706 WeakPolarHBondContact CB-O 3.17Å; A651-H708 PolarHBondContact O-N 3.28Å; A651-T709 PolarHBondContact N-O 2.81Å; A651-L711 HydrophobicContact CB-CD1 4.19Å; A651-L711 HydrophobicContact CB-CD2 3.93Å; A651-L711 HydrophobicContact CB-CG 4.02Å
652	P	74.1	Confident	70.2	Confident	29 Å²	29	57.4 Å²	57.4	19%	0.188	34%	0.335	C	S	.	.	S	Bend	trans	-71.5	-20.5	-177.1	27.7	-35.1	0	0	0	112.8	M396 L650 M677 I686	M396-P652 HydrophobicContact CE-CB 4.2Å; L650-P652 VanDerWaalsContact O-CD 3.29Å; L650-P652 WeakPolarHBondContact O-CD 3.34Å; P652-M677 HydrophobicContact CG-CE 3.93Å; P652-I686 HydrophobicContact CG-CD1 3.61Å
653	M	77.3	Confident	73	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.025	33%	0.334	C	S	.	.	S	Bend	trans	-150.6	164.8	180	63.9	-174.4	-46.9	0	0	109.7	M396 P397 A651 M677 A679	M396-M653 HydrophobicContact CG-CB 4.11Å; M396-M653 HydrophobicContact CG-CE 4.5Å; M396-M653 HydrophobicContact CG-SD 4.27Å; M396-M653 HydrophobicContact SD-CB 4.32Å; M396-M653 HydrophobicContact SD-CE 4.26Å; M396-M653 HydrophobicContact SD-CG 4.19Å; M396-M653 HydrophobicContact SD-SD 3.44Å; P397-M653 HydrophobicContact CB-CE 3.69Å; P397-M653 HydrophobicContact CG-CE 3.66Å; P397-M653 WeakPolarHBondContact O-CE 3.38Å; A651-M653 PolarHBondContact O-N 3.48Å; M653-M677 HydrophobicContact CG-CE 3.4Å; M653-M677 VanDerWaalsContact CG-CE 3.4Å; M653-M677 WeakPolarHBondContact O-CE 3.46Å; M653-M677 HydrophobicContact SD-CE 4.45Å; M653-A679 HydrophobicContact CE-CB 3.31Å; M653-A679 HydrophobicContact CG-CB 4.42Å; M653-A679 HydrophobicContact SD-CB 3.86Å
654	T	80.5	Confident	75.8	Confident	37 Å²	37	53.7 Å²	53.7	23%	0.227	32%	0.316	C	S	.	.	S	Bend	trans	-77.8	129.4	169.7	-57.3	0	0	0	0	109.2	V428 A679 A705 R707	V428-T654 HydrophobicContact CG1-CG2 3.73Å; T654-A679 VanDerWaalsContact O-CB 3.3Å; T654-A679 WeakPolarHBondContact O-CB 3.39Å; T654-A705 CarbonylContact C-O 3.51Å; T654-A705 VanDerWaalsContact CA-O 3.28Å; T654-A705 WeakPolarHBondContact CA-O 3.38Å; T654-R707 PolarHBondContact OG1-N 2.72Å
655	G	84.4	Confident	78.3	Confident	2 Å²	2	53 Å²	53	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-178.7	-175.5	0	0	0	0	0	114.3	Q704 A705	G655-Q704 WeakPolarHBondContact O-CA 3.47Å; G655-A705 PolarHBondContact N-O 2.75Å; G655-A705 PolarHBondContact O-N 2.88Å
656	T	83.8	Confident	80.8	Confident	41 Å²	41	50 Å²	50	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134	176.1	-56.8	0	0	0	0	110.1	E658 M677 I678 A703	T656-E658 PolarHBondContact O-N 2.82Å; T656-M677 CarbonylContact O-C 3.52Å; T656-M677 WeakPolarHBondContact O-CA 3.47Å; T656-M677 WeakPolarHBondContact O-CG 3.34Å; T656-I678 PolarHBondContact N-O 3.03Å; T656-I678 PolarHBondContact O-N 2.82Å; T656-A703 CarbonylContact C-O 3.56Å; T656-A703 WeakPolarHBondContact CA-O 3.39Å
657	I	86.8	Confident	82.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	114.6	173.5	-55.8	-53.7	0	0	0	109.1	V660 M675 M677 Y699 E701 G702 A703 A705 L711	I657-V660 HydrophobicContact CG2-CG2 3.59Å; I657-M675 HydrophobicContact CD1-SD 3.95Å; I657-M677 HydrophobicContact CD1-CB 4.11Å; I657-M677 HydrophobicContact CD1-CG 4Å; I657-M677 HydrophobicContact CD1-SD 4.06Å; I657-Y699 HydrophobicContact CG1-CG 4.32Å; I657-E701 CarbonylContact O-C 3.48Å; I657-G702 PolarHBondContact O-N 2.78Å; I657-A703 PolarHBondContact N-O 2.93Å; I657-A705 HydrophobicContact CD1-CB 4.34Å; I657-L711 HydrophobicContact CD1-CD2 4.15Å
658	E	83.3	Confident	84.3	Confident	94 Å²	94	51.7 Å²	51.7	44%	0.439	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-45.4	-179.9	-178.2	66.8	-168.1	0	0	111.4	T656 V676 I678	T656-E658 PolarHBondContact O-N 2.82Å; E658-V676 HydrophobicContact CB-CB 4.48Å; E658-V676 HydrophobicContact CB-CG1 4.44Å; E658-V676 PolarHBondContact N-O 2.92Å; E658-I678 HydrophobicContact CB-CD1 3.66Å; E658-I678 HydrophobicContact CB-CG1 3.83Å; E658-I678 HydrophobicContact CG-CD1 3.56Å; E658-I678 HydrophobicContact CG-CG1 4.27Å
659	K	84.9	Confident	85.4	Confident	108 Å²	108	57.9 Å²	57.9	47%	0.47	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.1	-177.6	-74.6	177.2	-175.1	174.2	0	111.6	F661 M675 V676 E701	K659-F661 HydrophobicContact CB-CE1 4.11Å; K659-F661 HydrophobicContact CB-CZ 4.11Å; K659-F661 HydrophobicContact CD-CE1 4.24Å; K659-F661 HydrophobicContact CD-CZ 4.4Å; K659-M675 CarbonylContact O-C 3.47Å; K659-M675 WeakPolarHBondContact O-CA 3.37Å; K659-M675 WeakPolarHBondContact O-CB 3.27Å; K659-V676 HydrophobicContact CB-CB 4.23Å; K659-V676 HydrophobicContact CB-CG2 4.26Å; K659-V676 PolarHBondContact N-O 2.99Å; K659-V676 PolarHBondContact O-N 2.91Å; K659-E701 WeakPolarHBondContact CA-OE1 3.39Å
660	V	89.8	Confident	85.7	Confident	35 Å²	35	59.8 Å²	59.8	21%	0.212	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.6	171.4	-179.4	0	0	0	0	108.5	I657 V662 M675 V697 E701	I657-V660 HydrophobicContact CG2-CG2 3.59Å; V660-V662 VanDerWaalsContact CG1-O 3.24Å; V660-V662 WeakPolarHBondContact CG1-O 3.31Å; V660-M675 HydrophobicContact CG2-CB 4.43Å; V660-V697 HydrophobicContact CG1-CG1 3.99Å; V660-E701 HydrophobicContact CB-CG 4.32Å; V660-E701 HydrophobicContact CG2-CG 4.03Å; V660-E701 PolarHBondContact N-OE1 3.38Å
661	F	87.8	Confident	85.5	Confident	105 Å²	105	58.5 Å²	58.5	46%	0.461	32%	0.321	S	S	.	.			trans	-93.4	-14	-176.1	-58.2	-59.5	0	0	0	113.8	K659 S673 L674 V676	K659-F661 HydrophobicContact CB-CE1 4.11Å; K659-F661 HydrophobicContact CB-CZ 4.11Å; K659-F661 HydrophobicContact CD-CE1 4.24Å; K659-F661 HydrophobicContact CD-CZ 4.4Å; F661-S673 WeakPolarHBondContact CB-O 3.47Å; F661-L674 WeakPolarHBondContact CB-O 3.45Å; F661-L674 PolarHBondContact N-O 2.87Å; F661-V676 HydrophobicContact CE2-CG2 3.41Å; F661-V676 VanDerWaalsContact CE2-CG2 3.41Å; F661-V676 HydrophobicContact CZ-CG2 3.48Å; F661-V676 VanDerWaalsContact CZ-CG2 3.48Å
662	V	89.3	Confident	85.5	Confident	11 Å²	11	62 Å²	62	7%	0.067	34%	0.34	C	S	.	.			trans	-126.2	155.2	-172.7	-60.7	0	0	0	0	111.9	V660 D666 V668 L674 I694 V697	V660-V662 VanDerWaalsContact CG1-O 3.24Å; V660-V662 WeakPolarHBondContact CG1-O 3.31Å; V662-D666 WeakPolarHBondContact CA-OD2 3.19Å; V662-V668 HydrophobicContact CG1-CG1 3.78Å; V662-L674 HydrophobicContact CG1-CD2 3.83Å; V662-L674 HydrophobicContact CG2-CB 4.19Å; V662-L674 HydrophobicContact CG2-CD2 4.07Å; V662-I694 HydrophobicContact CB-CG1 4.28Å; V662-I694 HydrophobicContact CG2-CG1 4.25Å; V662-V697 HydrophobicContact CG2-CG2 4.15Å
663	K	91.4	Very high	86.2	Confident	155 Å²	155	63 Å²	63	67%	0.674	35%	0.348	S	S	*	.			trans	-126.6	163.8	175.9	-60.4	178.4	-175.4	176.1	0	109.8	G665 D666 I694	K663-G665 PolarHBondContact O-N 3.38Å; K663-D666 PolarHBondContact N-OD2 3.26Å; K663-D666 WeakPolarHBondContact O-CB 3.27Å; K663-D666 PolarHBondContact O-N 2.86Å; K663-D666 VanDerWaalsContact O-N 3.13Å; K663-I694 WeakPolarHBondContact O-CB 3.22Å
664	A	90.1	Very high	86.6	Confident	67 Å²	67	62.8 Å²	62.8	55%	0.554	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	132.1	169.8	0	0	0	0	0	110.1	I694 K695	A664-I694 CarbonylContact C-O 3.59Å; A664-I694 WeakPolarHBondContact CA-O 3.42Å; A664-K695 VanDerWaalsContact CB-O 3.32Å; A664-K695 WeakPolarHBondContact CB-O 3.3Å
665	G	88.4	Confident	87.1	Confident	50 Å²	50	61 Å²	61	52%	0.515	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-11.5	-174.4	0	0	0	0	0	115.2	K663 I694	K663-G665 PolarHBondContact O-N 3.38Å; G665-I694 PolarHBondContact N-O 3.31Å
666	D	89.2	Confident	87	Confident	64 Å²	64	61.4 Å²	61.4	34%	0.342	34%	0.338	S	S	.	.			trans	-73.6	135	-179.4	-71	-14.4	0	0	0	111.3	V662 K663 T693 I694	V662-D666 WeakPolarHBondContact CA-OD2 3.19Å; K663-D666 PolarHBondContact N-OD2 3.26Å; K663-D666 WeakPolarHBondContact O-CB 3.27Å; K663-D666 PolarHBondContact O-N 2.86Å; K663-D666 VanDerWaalsContact O-N 3.13Å; D666-T693 WeakPolarHBondContact O-CA 3.31Å; D666-I694 PolarHBondContact O-N 3.18Å
667	K	90.2	Very high	86.9	Confident	181 Å²	181	59.5 Å²	59.5	79%	0.787	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.5	170.2	-68.9	-172.9	178.2	-173.2	0	109.6
668	V	89.8	Confident	86.3	Confident	10 Å²	10	61.6 Å²	61.6	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.1	178.8	-62.1	0	0	0	0	110.2	V662 D672 L674 A688 D691 G692 I694 F714	V662-V668 HydrophobicContact CG1-CG1 3.78Å; V668-D672 HydrophobicContact CB-CB 4.25Å; V668-L674 HydrophobicContact CB-CD2 4.31Å; V668-L674 HydrophobicContact CG1-CD2 3.92Å; V668-L674 HydrophobicContact CG2-CD2 4.17Å; V668-A688 HydrophobicContact CB-CB 4.34Å; V668-A688 HydrophobicContact CG2-CB 3.94Å; V668-D691 WeakPolarHBondContact O-CA 3.48Å; V668-G692 WeakPolarHBondContact CG2-O 3.45Å; V668-G692 PolarHBondContact N-O 3.19Å; V668-G692 PolarHBondContact O-N 3.25Å; V668-I694 HydrophobicContact CG1-CD1 4.36Å; V668-I694 HydrophobicContact CG1-CG1 4.2Å; V668-I694 HydrophobicContact CG2-CD1 3.72Å; V668-I694 HydrophobicContact CG2-CG1 4.36Å; V668-F714 HydrophobicContact CG2-CE1 3.58Å; V668-F714 HydrophobicContact CG2-CZ 3.91Å
669	K	87.8	Confident	85.9	Confident	142 Å²	142	57.2 Å²	57.2	62%	0.617	32%	0.317	S	S	*	.			trans	-96.4	155.1	169.4	-65.4	-174	177.3	-174.8	0	110.4	G671 D672 A688 D691	K669-G671 PolarHBondContact O-N 2.77Å; K669-D672 PolarHBondContact N-OD2 2.95Å; K669-D672 VanDerWaalsContact O-CB 3.22Å; K669-D672 WeakPolarHBondContact O-CB 3.36Å; K669-D672 PolarHBondContact O-N 2.78Å; K669-A688 VanDerWaalsContact O-CB 3.31Å; K669-A688 WeakPolarHBondContact O-CB 3.13Å; K669-D691 WeakPolarHBondContact CA-OD1 3.33Å
670	A	85.4	Confident	85.3	Confident	57 Å²	57	52.5 Å²	52.5	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	127.1	172.1	0	0	0	0	0	110.2	D691	A670-D691 WeakPolarHBondContact CB-OD1 3.36Å; A670-D691 PolarHBondContact N-OD1 2.86Å
671	G	79.1	Confident	84.2	Confident	35 Å²	35	57.8 Å²	57.8	36%	0.361	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-10.3	-176.4	0	0	0	0	0	115.5	K669 K687 A688	K669-G671 PolarHBondContact O-N 2.77Å; G671-K687 WeakPolarHBondContact O-CD 3.33Å; G671-A688 PolarHBondContact N-O 2.81Å
672	D	81.7	Confident	83.1	Confident	73 Å²	73	54.8 Å²	54.8	39%	0.39	31%	0.305	S	S	.	.			trans	-63.5	144.5	173.7	-74.8	-13.5	0	0	0	110.8	V668 K669 L674 K687 A688	V668-D672 HydrophobicContact CB-CB 4.25Å; K669-D672 PolarHBondContact N-OD2 2.95Å; K669-D672 VanDerWaalsContact O-CB 3.22Å; K669-D672 WeakPolarHBondContact O-CB 3.36Å; K669-D672 PolarHBondContact O-N 2.78Å; D672-L674 PolarHBondContact O-N 2.9Å; D672-K687 CarbonylContact O-C 3.55Å; D672-K687 WeakPolarHBondContact O-CA 3.48Å; D672-A688 PolarHBondContact O-N 2.8Å
673	S	88.4	Confident	82.4	Confident	52 Å²	52	60.4 Å²	60.4	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.2	-179.3	-59.2	0	0	0	0	110	F661 T685	F661-S673 WeakPolarHBondContact CB-O 3.47Å; S673-T685 WeakPolarHBondContact OG-CG2 3.48Å
674	L	87.3	Confident	81.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-48	180	-58.7	179.8	0	0	0	111.6	P649 F661 V662 V668 D672 I686 A688 I694 V712	P649-L674 HydrophobicContact CG-CD1 3.56Å; F661-L674 WeakPolarHBondContact CB-O 3.45Å; F661-L674 PolarHBondContact N-O 2.87Å; V662-L674 HydrophobicContact CG1-CD2 3.83Å; V662-L674 HydrophobicContact CG2-CB 4.19Å; V662-L674 HydrophobicContact CG2-CD2 4.07Å; V668-L674 HydrophobicContact CB-CD2 4.31Å; V668-L674 HydrophobicContact CG1-CD2 3.92Å; V668-L674 HydrophobicContact CG2-CD2 4.17Å; D672-L674 PolarHBondContact O-N 2.9Å; L674-I686 PolarHBondContact N-O 2.88Å; L674-A688 HydrophobicContact CD1-CB 4.29Å; L674-A688 HydrophobicContact CD2-CB 4Å; L674-A688 HydrophobicContact CG-CB 4.2Å; L674-I694 HydrophobicContact CD2-CD1 4.27Å; L674-V712 HydrophobicContact CD1-CG2 4.27Å
675	M	89.8	Confident	81.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	161.7	179.3	57	-175.9	66.7	0	0	111.2	I657 K659 V660 I686 V697 L711 V712	I657-M675 HydrophobicContact CD1-SD 3.95Å; K659-M675 CarbonylContact O-C 3.47Å; K659-M675 WeakPolarHBondContact O-CA 3.37Å; K659-M675 WeakPolarHBondContact O-CB 3.27Å; V660-M675 HydrophobicContact CG2-CB 4.43Å; M675-I686 HydrophobicContact CG-CB 3.9Å; M675-I686 HydrophobicContact CG-CG1 3.95Å; M675-I686 PolarHBondContact O-N 2.87Å; M675-V697 HydrophobicContact CE-CG1 3.79Å; M675-L711 HydrophobicContact CE-CB 4.11Å; M675-L711 HydrophobicContact SD-CB 3.83Å; M675-L711 HydrophobicContact SD-CD1 3.89Å; M675-L711 HydrophobicContact SD-CD2 3.99Å; M675-L711 HydrophobicContact SD-CG 4.13Å; M675-V712 HydrophobicContact CE-CG2 3.39Å
676	V	83.4	Confident	81.1	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.6	171.2	-175.1	0	0	0	0	108.6	E658 K659 F661 E683	E658-V676 HydrophobicContact CB-CB 4.48Å; E658-V676 HydrophobicContact CB-CG1 4.44Å; E658-V676 PolarHBondContact N-O 2.92Å; K659-V676 HydrophobicContact CB-CB 4.23Å; K659-V676 HydrophobicContact CB-CG2 4.26Å; K659-V676 PolarHBondContact N-O 2.99Å; K659-V676 PolarHBondContact O-N 2.91Å; F661-V676 HydrophobicContact CE2-CG2 3.41Å; F661-V676 VanDerWaalsContact CE2-CG2 3.41Å; F661-V676 HydrophobicContact CZ-CG2 3.48Å; F661-V676 VanDerWaalsContact CZ-CG2 3.48Å; V676-E683 HydrophobicContact CG1-CB 4.11Å; V676-E683 HydrophobicContact CG1-CG 4.17Å
677	M	81.3	Confident	80.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.7	172.7	-171.5	168.3	58.9	0	0	109.6	P652 M653 T656 I657 E683 H684	P652-M677 HydrophobicContact CG-CE 3.93Å; M653-M677 HydrophobicContact CG-CE 3.4Å; M653-M677 VanDerWaalsContact CG-CE 3.4Å; M653-M677 WeakPolarHBondContact O-CE 3.46Å; M653-M677 HydrophobicContact SD-CE 4.45Å; T656-M677 CarbonylContact O-C 3.52Å; T656-M677 WeakPolarHBondContact O-CA 3.47Å; T656-M677 WeakPolarHBondContact O-CG 3.34Å; I657-M677 HydrophobicContact CD1-CB 4.11Å; I657-M677 HydrophobicContact CD1-CG 4Å; I657-M677 HydrophobicContact CD1-SD 4.06Å; M677-E683 CarbonylContact O-C 3.59Å; M677-E683 WeakPolarHBondContact O-CA 3.03Å; M677-H684 PolarHBondContact N-O 2.86Å; M677-H684 PolarHBondContact O-N 3.41Å
678	I	74.8	Confident	80.6	Confident	44 Å²	44	47.5 Å²	47.5	23%	0.226	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.3	174.9	-64.7	178.6	0	0	0	109.3	T656 E658 M682 E683	T656-I678 PolarHBondContact N-O 3.03Å; T656-I678 PolarHBondContact O-N 2.82Å; E658-I678 HydrophobicContact CB-CD1 3.66Å; E658-I678 HydrophobicContact CB-CG1 3.83Å; E658-I678 HydrophobicContact CG-CD1 3.56Å; E658-I678 HydrophobicContact CG-CG1 4.27Å; I678-M682 WeakPolarHBondContact CA-O 3.4Å; I678-E683 HydrophobicContact CD1-CG 3.81Å; I678-E683 HydrophobicContact CG1-CB 4.47Å; I678-E683 HydrophobicContact CG1-CG 3.58Å
679	A	74	Confident	80.3	Confident	3 Å²	3	51 Å²	51	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140	168.3	0	0	0	0	0	108.7	M653 T654 K681 M682	M653-A679 HydrophobicContact CE-CB 3.31Å; M653-A679 HydrophobicContact CG-CB 4.42Å; M653-A679 HydrophobicContact SD-CB 3.86Å; T654-A679 VanDerWaalsContact O-CB 3.3Å; T654-A679 WeakPolarHBondContact O-CB 3.39Å; A679-K681 PolarHBondContact O-N 2.89Å; A679-K681 VanDerWaalsContact O-N 3.13Å; A679-M682 PolarHBondContact N-O 3.23Å; A679-M682 PolarHBondContact O-N 3.14Å
680	M	72.4	Confident	80.2	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.044	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	41.1	172.6	-49.2	-177	88.8	0	0	113.3	P397 V426 V428 Y430 P432 M682	P397-M680 HydrophobicContact CB-CB 4.18Å; P397-M680 HydrophobicContact CB-CG 4.21Å; P397-M680 HydrophobicContact CB-SD 3.36Å; P397-M680 WeakPolarHBondContact CB-SD 3.04Å; P397-M680 HydrophobicContact CG-CB 4.46Å; V426-M680 HydrophobicContact CG1-CE 3.66Å; V428-M680 WeakPolarHBondContact O-CG 3.27Å; V428-M680 PolarHBondContact O-N 2.89Å; Y430-M680 WeakPolarHBondContact O-CA 3.08Å; Y430-M680 VanDerWaalsContact O-CB 3.25Å; Y430-M680 WeakPolarHBondContact O-CB 3.33Å; Y430-M680 VanDerWaalsContact O-CE 3.3Å; Y430-M680 WeakPolarHBondContact O-CE 3.49Å; Y430-M680 WeakPolarHBondContact O-CG 3.4Å; P432-M680 HydrophobicContact CB-CE 3.35Å; P432-M680 HydrophobicContact CB-SD 4.02Å; P432-M680 HydrophobicContact CG-CE 4.07Å; P432-M680 HydrophobicContact CG-SD 4.44Å; M680-M682 PolarHBondContact O-N 3.08Å
681	K	66.3	Low	80.3	Confident	145 Å²	145	50.6 Å²	50.6	63%	0.63	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	10.5	-175.5	-55.5	178.2	-179.8	173.1	0	115.9	A679	A679-K681 PolarHBondContact O-N 2.89Å; A679-K681 VanDerWaalsContact O-N 3.13Å
682	M	64.7	Low	80.8	Confident	43 Å²	43	49.9 Å²	49.9	21%	0.212	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.2	174.3	-69.5	-171.1	18.1	0	0	111.2	P397 I678 A679 M680	P397-M682 VanDerWaalsContact CD-CE 3.48Å; P397-M682 HydrophobicContact CG-CE 3.68Å; P397-M682 HydrophobicContact CG-CG 4.45Å; P397-M682 HydrophobicContact CG-SD 3.67Å; I678-M682 WeakPolarHBondContact CA-O 3.4Å; A679-M682 PolarHBondContact N-O 3.23Å; A679-M682 PolarHBondContact O-N 3.14Å; M680-M682 PolarHBondContact O-N 3.08Å
683	E	75.9	Confident	81.2	Confident	129 Å²	129	47.9 Å²	47.9	60%	0.603	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84	134.4	166.9	-76.8	170.5	-144.5	0	0	109.9	V676 M677 I678	V676-E683 HydrophobicContact CG1-CB 4.11Å; V676-E683 HydrophobicContact CG1-CG 4.17Å; M677-E683 CarbonylContact O-C 3.59Å; M677-E683 WeakPolarHBondContact O-CA 3.03Å; I678-E683 HydrophobicContact CD1-CG 3.81Å; I678-E683 HydrophobicContact CG1-CB 4.47Å; I678-E683 HydrophobicContact CG1-CG 3.58Å
684	H	74.8	Confident	81.3	Confident	55 Å²	55	45.4 Å²	45.4	26%	0.255	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.7	173.9	-167.1	71.8	0	0	0	110.5	M677	M677-H684 PolarHBondContact N-O 2.86Å; M677-H684 PolarHBondContact O-N 3.41Å
685	T	82.5	Confident	81.4	Confident	55 Å²	55	50 Å²	50	34%	0.337	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.9	177.2	-54.2	0	0	0	0	110.2	S673	S673-T685 WeakPolarHBondContact OG-CG2 3.48Å
686	I	84.1	Confident	81.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.7	173.1	-52.2	-64.2	0	0	0	108.4	P649 P652 L674 M675 L711	P649-I686 HydrophobicContact CB-CG2 3.9Å; P649-I686 HydrophobicContact CG-CG2 4.15Å; P652-I686 HydrophobicContact CG-CD1 3.61Å; L674-I686 PolarHBondContact N-O 2.88Å; M675-I686 HydrophobicContact CG-CB 3.9Å; M675-I686 HydrophobicContact CG-CG1 3.95Å; M675-I686 PolarHBondContact O-N 2.87Å; I686-L711 HydrophobicContact CB-CD1 4.45Å; I686-L711 HydrophobicContact CD1-CD1 4.03Å; I686-L711 HydrophobicContact CG1-CD1 3.75Å; I686-L711 HydrophobicContact CG2-CD1 4.09Å
687	K	84.6	Confident	81.7	Confident	123 Å²	123	56.3 Å²	56.3	54%	0.535	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	153	-179.3	-66.5	-177	173.9	-167.9	0	111.8	G671 D672	G671-K687 WeakPolarHBondContact O-CD 3.33Å; D672-K687 CarbonylContact O-C 3.55Å; D672-K687 WeakPolarHBondContact O-CA 3.48Å
688	A	84.8	Confident	82.1	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.033	30%	0.297	C	S	.	.			trans	-63	124.3	174.1	0	0	0	0	0	110	V668 K669 G671 D672 L674 K690 F714	V668-A688 HydrophobicContact CB-CB 4.34Å; V668-A688 HydrophobicContact CG2-CB 3.94Å; K669-A688 VanDerWaalsContact O-CB 3.31Å; K669-A688 WeakPolarHBondContact O-CB 3.13Å; G671-A688 PolarHBondContact N-O 2.81Å; D672-A688 PolarHBondContact O-N 2.8Å; L674-A688 HydrophobicContact CD1-CB 4.29Å; L674-A688 HydrophobicContact CD2-CB 4Å; L674-A688 HydrophobicContact CG-CB 4.2Å; A688-K690 VanDerWaalsContact C-N 3.28Å; A688-F714 HydrophobicContact CB-CZ 4.28Å
689	P	83.7	Confident	82.8	Confident	85 Å²	85	60.2 Å²	60.2	55%	0.552	30%	0.296	S	S	*	.	S	Bend	trans	-74.7	-21.8	179.6	29.1	-33.6	0	0	0	112.7	F714	P689-F714 HydrophobicContact CG-CE2 4.47Å
690	K	85.4	Confident	83.5	Confident	94 Å²	94	69.9 Å²	69.9	41%	0.409	33%	0.331	S	S	.	.	S	Bend	trans	-151.7	165.9	-178.9	59.6	173.6	-177.6	167.9	0	110.2	A688	A688-K690 VanDerWaalsContact C-N 3.28Å
691	D	87.9	Confident	84.2	Confident	96 Å²	96	74.7 Å²	74.7	51%	0.513	35%	0.354	S	S	.	.	S	Bend	trans	-64.6	145.4	167	-66.6	18.2	0	0	0	109.4	V668 K669 A670	V668-D691 WeakPolarHBondContact O-CA 3.48Å; K669-D691 WeakPolarHBondContact CA-OD1 3.33Å; A670-D691 WeakPolarHBondContact CB-OD1 3.36Å; A670-D691 PolarHBondContact N-OD1 2.86Å
692	G	89.8	Confident	84.9	Confident	20 Å²	20	70.6 Å²	70.6	21%	0.206	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	177.8	172.9	0	0	0	0	0	114	V668	V668-G692 WeakPolarHBondContact CG2-O 3.45Å; V668-G692 PolarHBondContact N-O 3.19Å; V668-G692 PolarHBondContact O-N 3.25Å
693	T	89.5	Confident	85.9	Confident	30 Å²	30	69.7 Å²	69.7	18%	0.184	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.6	175.1	-50.4	0	0	0	0	109.9	D666 K695 F714 E715	D666-T693 WeakPolarHBondContact O-CA 3.31Å; T693-K695 PolarHBondContact O-N 3.03Å; T693-F714 WeakPolarHBondContact O-CA 3.32Å; T693-E715 WeakPolarHBondContact CB-OE2 3.31Å; T693-E715 HydrophobicContact CG2-CG 4.42Å; T693-E715 PolarHBondContact O-N 2.68Å
694	I	90.5	Very high	86.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118	175.6	-58.2	-44.2	0	0	0	109.7	V662 K663 A664 G665 D666 V668 L674 V697 V712 F714	V662-I694 HydrophobicContact CB-CG1 4.28Å; V662-I694 HydrophobicContact CG2-CG1 4.25Å; K663-I694 WeakPolarHBondContact O-CB 3.22Å; A664-I694 CarbonylContact C-O 3.59Å; A664-I694 WeakPolarHBondContact CA-O 3.42Å; G665-I694 PolarHBondContact N-O 3.31Å; D666-I694 PolarHBondContact O-N 3.18Å; V668-I694 HydrophobicContact CG1-CD1 4.36Å; V668-I694 HydrophobicContact CG1-CG1 4.2Å; V668-I694 HydrophobicContact CG2-CD1 3.72Å; V668-I694 HydrophobicContact CG2-CG1 4.36Å; L674-I694 HydrophobicContact CD2-CD1 4.27Å; I694-V697 HydrophobicContact CG2-CG2 3.82Å; I694-V712 HydrophobicContact CB-CG1 4.39Å; I694-V712 HydrophobicContact CD1-CG1 3.63Å; I694-V712 HydrophobicContact CG1-CG1 4.22Å; I694-V712 HydrophobicContact CG2-CG1 3.51Å; I694-F714 HydrophobicContact CD1-CD1 4.13Å; I694-F714 HydrophobicContact CD1-CE1 3.74Å; I694-F714 HydrophobicContact CD1-CE2 4.11Å; I694-F714 HydrophobicContact CD1-CZ 3.72Å
695	K	90	Very high	86.7	Confident	97 Å²	97	66 Å²	66	42%	0.422	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-45.1	173.9	-178.1	174.3	169.3	-163.3	0	111.5	A664 T693 E713 E715	A664-K695 VanDerWaalsContact CB-O 3.32Å; A664-K695 WeakPolarHBondContact CB-O 3.3Å; T693-K695 PolarHBondContact O-N 3.03Å; K695-E713 HydrophobicContact CB-CB 4.42Å; K695-E713 HydrophobicContact CB-CG 4.47Å; K695-E713 WeakPolarHBondContact CB-O 3.44Å; K695-E713 HydrophobicContact CD-CG 4.28Å; K695-E713 WeakPolarHBondContact CD-OE1 3.35Å; K695-E713 WeakPolarHBondContact CE-OE1 3.44Å; K695-E713 PolarHBondContact N-O 3.3Å; K695-E713 IonicContact NZ-OE1 3.34Å; K695-E713 PolarHBondContact NZ-OE1 3.49Å; K695-E715 HydrophobicContact CB-CG 3.75Å; K695-E715 HydrophobicContact CG-CG 4.32Å
696	K	88.8	Confident	86.6	Confident	107 Å²	107	68 Å²	68	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.7	-174.6	-168.1	174.3	178.4	-179.5	0	111.8	F698 V712 E713	K696-F698 HydrophobicContact CD-CD1 4.33Å; K696-F698 HydrophobicContact CD-CE1 3.9Å; K696-F698 HydrophobicContact CD-CZ 4.29Å; K696-V712 CarbonylContact O-C 3.58Å; K696-V712 WeakPolarHBondContact O-CA 3.41Å; K696-V712 WeakPolarHBondContact O-CG1 3.38Å; K696-E713 HydrophobicContact CB-CB 4.04Å; K696-E713 PolarHBondContact N-O 3.17Å; K696-E713 PolarHBondContact O-N 3.29Å
697	V	90.4	Very high	86.3	Confident	35 Å²	35	72.6 Å²	72.6	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.6	168.7	-176.2	0	0	0	0	107.8	V660 V662 M675 I694 Y699	V660-V697 HydrophobicContact CG1-CG1 3.99Å; V662-V697 HydrophobicContact CG2-CG2 4.15Å; M675-V697 HydrophobicContact CE-CG1 3.79Å; I694-V697 HydrophobicContact CG2-CG2 3.82Å; V697-Y699 WeakPolarHBondContact CG1-O 3.44Å
698	F	89.1	Confident	85.9	Confident	75 Å²	75	72.3 Å²	72.3	33%	0.329	36%	0.361	S	S	.	.			trans	-83.4	-21.7	-171.4	-69.6	-78.1	0	0	0	113.9	K696 P710 L711 E713	K696-F698 HydrophobicContact CD-CD1 4.33Å; K696-F698 HydrophobicContact CD-CE1 3.9Å; K696-F698 HydrophobicContact CD-CZ 4.29Å; F698-P710 WeakPolarHBondContact CB-O 3.47Å; F698-P710 HydrophobicContact CD2-CB 4.09Å; F698-P710 HydrophobicContact CD2-CG 4.43Å; F698-P710 VanDerWaalsContact CD2-O 3.28Å; F698-P710 WeakPolarHBondContact CD2-O 3.48Å; F698-P710 HydrophobicContact CE2-CB 3.88Å; F698-P710 HydrophobicContact CE2-CG 4.27Å; F698-L711 PolarHBondContact N-O 2.81Å; F698-E713 HydrophobicContact CE2-CB 3.83Å; F698-E713 HydrophobicContact CZ-CB 4.07Å
699	Y	90.1	Very high	85.9	Confident	52 Å²	52	73.7 Å²	73.7	20%	0.204	37%	0.369	C	S	.	.			trans	-127.5	143.9	-173.7	-63.6	-87.4	0	0	0	111.9	I657 V697 A703 Q704 A705 T709 P710 L711	I657-Y699 HydrophobicContact CG1-CG 4.32Å; V697-Y699 WeakPolarHBondContact CG1-O 3.44Å; Y699-A703 HydrophobicContact CD1-CB 4.04Å; Y699-Q704 VanDerWaalsContact CE1-O 3.22Å; Y699-Q704 WeakPolarHBondContact CE1-O 3.37Å; Y699-A705 HydrophobicContact CD1-CB 4.11Å; Y699-A705 HydrophobicContact CD2-CB 4.24Å; Y699-A705 HydrophobicContact CE1-CB 3.77Å; Y699-A705 HydrophobicContact CE2-CB 3.89Å; Y699-A705 HydrophobicContact CG-CB 4.33Å; Y699-T709 WeakPolarHBondContact OH-CB 3.44Å; Y699-T709 PolarHBondContact OH-OG1 2.89Å; Y699-P710 WeakPolarHBondContact CE2-O 3.41Å; Y699-L711 HydrophobicContact CD2-CD2 3.67Å; Y699-L711 HydrophobicContact CE2-CD2 3.83Å
700	R	87.9	Confident	86	Confident	205 Å²	205	72.4 Å²	72.4	77%	0.774	36%	0.361	S	S	*	.			trans	-98.7	163.5	171.4	63	179.9	179.2	-175.4	-0.2	110.5	G702 A703	R700-G702 PolarHBondContact O-N 2.8Å; R700-A703 HydrophobicContact CG-CB 4.19Å; R700-A703 WeakPolarHBondContact O-CB 3.35Å; R700-A703 PolarHBondContact O-N 3.39Å
701	E	87.8	Confident	86.1	Confident	111 Å²	111	68 Å²	68	52%	0.519	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	136	170.7	-60.6	-176.1	168.3	0	0	110.8	I657 K659 V660 A703	I657-E701 CarbonylContact O-C 3.48Å; K659-E701 WeakPolarHBondContact CA-OE1 3.39Å; V660-E701 HydrophobicContact CB-CG 4.32Å; V660-E701 HydrophobicContact CG2-CG 4.03Å; V660-E701 PolarHBondContact N-OE1 3.38Å; E701-A703 VanDerWaalsContact C-N 3.34Å
702	G	81.1	Confident	86.1	Confident	59 Å²	59	63.4 Å²	63.4	61%	0.608	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-7.6	-173.9	0	0	0	0	0	115.9	I657 R700	I657-G702 PolarHBondContact O-N 2.78Å; R700-G702 PolarHBondContact O-N 2.8Å
703	A	85.9	Confident	86.1	Confident	23 Å²	23	63.4 Å²	63.4	19%	0.19	31%	0.312	C	S	.	.			trans	-78.8	147.9	179.3	0	0	0	0	0	112.5	T656 I657 Y699 R700 E701	T656-A703 CarbonylContact C-O 3.56Å; T656-A703 WeakPolarHBondContact CA-O 3.39Å; I657-A703 PolarHBondContact N-O 2.93Å; Y699-A703 HydrophobicContact CD1-CB 4.04Å; R700-A703 HydrophobicContact CG-CB 4.19Å; R700-A703 WeakPolarHBondContact O-CB 3.35Å; R700-A703 PolarHBondContact O-N 3.39Å; E701-A703 VanDerWaalsContact C-N 3.34Å
704	Q	83.9	Confident	85.9	Confident	106 Å²	106	62.5 Å²	62.5	50%	0.495	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.6	171.3	-76.8	-169	-26.1	0	0	111.2	G655 Y699	G655-Q704 WeakPolarHBondContact O-CA 3.47Å; Y699-Q704 VanDerWaalsContact CE1-O 3.22Å; Y699-Q704 WeakPolarHBondContact CE1-O 3.37Å
705	A	82.9	Confident	85.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.3	173.4	0	0	0	0	0	109.9	A651 T654 G655 I657 Y699 L711	A651-A705 HydrophobicContact CB-CB 4.42Å; T654-A705 CarbonylContact C-O 3.51Å; T654-A705 VanDerWaalsContact CA-O 3.28Å; T654-A705 WeakPolarHBondContact CA-O 3.38Å; G655-A705 PolarHBondContact N-O 2.75Å; G655-A705 PolarHBondContact O-N 2.88Å; I657-A705 HydrophobicContact CD1-CB 4.34Å; Y699-A705 HydrophobicContact CD1-CB 4.11Å; Y699-A705 HydrophobicContact CD2-CB 4.24Å; Y699-A705 HydrophobicContact CE1-CB 3.77Å; Y699-A705 HydrophobicContact CE2-CB 3.89Å; Y699-A705 HydrophobicContact CG-CB 4.33Å; A705-L711 HydrophobicContact CB-CD2 3.98Å
706	N	80.6	Confident	84.9	Confident	99 Å²	99	70.5 Å²	70.5	53%	0.529	34%	0.344	S	S	.	.			trans	-84.5	150.1	174.9	-70.6	-28.2	0	0	0	111	A651 H708 T709	A651-N706 VanDerWaalsContact CB-O 3.29Å; A651-N706 WeakPolarHBondContact CB-O 3.17Å; N706-H708 PolarHBondContact O-N 2.85Å; N706-T709 HydrophobicContact CB-CG2 3.82Å; N706-T709 WeakPolarHBondContact O-CB 3.35Å; N706-T709 WeakPolarHBondContact O-CG2 3.33Å; N706-T709 PolarHBondContact O-N 2.96Å; N706-T709 VanDerWaalsContact O-N 3.11Å; N706-T709 PolarHBondContact O-OG1 3.01Å
707	R	77.3	Confident	83.3	Confident	104 Å²	104	73.1 Å²	73.1	39%	0.392	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	138.1	173	-167.6	-176.6	-179.2	-169.6	-1.6	110.8	T654 T709	T654-R707 PolarHBondContact OG1-N 2.72Å; R707-T709 PolarHBondContact O-N 3.36Å
708	H	77.3	Confident	80.8	Confident	117 Å²	117	81 Å²	81	54%	0.542	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	7.4	-178.4	-58.4	-59.8	0	0	0	116.7	A651 N706	A651-H708 PolarHBondContact O-N 3.28Å; N706-H708 PolarHBondContact O-N 2.85Å
709	T	83.6	Confident	78.3	Confident	33 Å²	33	82.4 Å²	82.4	20%	0.202	41%	0.412	C	S	.	.			trans	-77.9	144.5	170.9	61.5	0	0	0	0	111.6	L650 A651 Y699 N706 R707 L711	L650-T709 CarbonylContact C-O 3.53Å; L650-T709 WeakPolarHBondContact CA-O 3.47Å; A651-T709 PolarHBondContact N-O 2.81Å; Y699-T709 WeakPolarHBondContact OH-CB 3.44Å; Y699-T709 PolarHBondContact OH-OG1 2.89Å; N706-T709 HydrophobicContact CB-CG2 3.82Å; N706-T709 WeakPolarHBondContact O-CB 3.35Å; N706-T709 WeakPolarHBondContact O-CG2 3.33Å; N706-T709 PolarHBondContact O-N 2.96Å; N706-T709 VanDerWaalsContact O-N 3.11Å; N706-T709 PolarHBondContact O-OG1 3.01Å; R707-T709 PolarHBondContact O-N 3.36Å; T709-L711 PolarHBondContact O-N 2.89Å
710	P	86.4	Confident	75.6	Confident	58 Å²	58	86.6 Å²	86.6	38%	0.377	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-67.2	129.6	178	27.1	-33.6	0	0	0	111.2	L650 F698 Y699	L650-P710 HydrophobicContact CD2-CB 3.98Å; F698-P710 WeakPolarHBondContact CB-O 3.47Å; F698-P710 HydrophobicContact CD2-CB 4.09Å; F698-P710 HydrophobicContact CD2-CG 4.43Å; F698-P710 VanDerWaalsContact CD2-O 3.28Å; F698-P710 WeakPolarHBondContact CD2-O 3.48Å; F698-P710 HydrophobicContact CE2-CB 3.88Å; F698-P710 HydrophobicContact CE2-CG 4.27Å; Y699-P710 WeakPolarHBondContact CE2-O 3.41Å
711	L	87.3	Confident	73.1	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	44%	0.444	C	S	.	.			trans	-95.5	-41.1	-179.4	-67.9	177	0	0	0	112.5	P649 A651 I657 M675 I686 F698 Y699 A705 T709	P649-L711 WeakPolarHBondContact O-CB 3.48Å; P649-L711 PolarHBondContact O-N 2.93Å; A651-L711 HydrophobicContact CB-CD1 4.19Å; A651-L711 HydrophobicContact CB-CD2 3.93Å; A651-L711 HydrophobicContact CB-CG 4.02Å; I657-L711 HydrophobicContact CD1-CD2 4.15Å; M675-L711 HydrophobicContact CE-CB 4.11Å; M675-L711 HydrophobicContact SD-CB 3.83Å; M675-L711 HydrophobicContact SD-CD1 3.89Å; M675-L711 HydrophobicContact SD-CD2 3.99Å; M675-L711 HydrophobicContact SD-CG 4.13Å; I686-L711 HydrophobicContact CB-CD1 4.45Å; I686-L711 HydrophobicContact CD1-CD1 4.03Å; I686-L711 HydrophobicContact CG1-CD1 3.75Å; I686-L711 HydrophobicContact CG2-CD1 4.09Å; F698-L711 PolarHBondContact N-O 2.81Å; Y699-L711 HydrophobicContact CD2-CD2 3.67Å; Y699-L711 HydrophobicContact CE2-CD2 3.83Å; A705-L711 HydrophobicContact CB-CD2 3.98Å; T709-L711 PolarHBondContact O-N 2.89Å
712	V	87.3	Confident	70.8	Confident	1 Å²	1	91.6 Å²	91.6	1%	0.006	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.7	-178.4	-174.6	0	0	0	0	108.6	G648 P649 L674 M675 I694 K696	G648-V712 VanDerWaalsContact CA-O 3.29Å; G648-V712 WeakPolarHBondContact CA-O 3.28Å; P649-V712 HydrophobicContact CG-CB 4.23Å; L674-V712 HydrophobicContact CD1-CG2 4.27Å; M675-V712 HydrophobicContact CE-CG2 3.39Å; I694-V712 HydrophobicContact CB-CG1 4.39Å; I694-V712 HydrophobicContact CD1-CG1 3.63Å; I694-V712 HydrophobicContact CG1-CG1 4.22Å; I694-V712 HydrophobicContact CG2-CG1 3.51Å; K696-V712 CarbonylContact O-C 3.58Å; K696-V712 WeakPolarHBondContact O-CA 3.41Å; K696-V712 WeakPolarHBondContact O-CG1 3.38Å
713	E	89.4	Confident	68.6	Low	20 Å²	20	98 Å²	98	9%	0.093	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.6	172	-164.2	-174.9	162.1	0	0	108.5	Q646 K695 K696 F698	Q646-E713 PolarHBondContact OE1-OE1 3.48Å; Q646-E713 VanDerWaalsContact OE1-OE1 3.05Å; K695-E713 HydrophobicContact CB-CB 4.42Å; K695-E713 HydrophobicContact CB-CG 4.47Å; K695-E713 WeakPolarHBondContact CB-O 3.44Å; K695-E713 HydrophobicContact CD-CG 4.28Å; K695-E713 WeakPolarHBondContact CD-OE1 3.35Å; K695-E713 WeakPolarHBondContact CE-OE1 3.44Å; K695-E713 PolarHBondContact N-O 3.3Å; K695-E713 IonicContact NZ-OE1 3.34Å; K695-E713 PolarHBondContact NZ-OE1 3.49Å; K696-E713 HydrophobicContact CB-CB 4.04Å; K696-E713 PolarHBondContact N-O 3.17Å; K696-E713 PolarHBondContact O-N 3.29Å; F698-E713 HydrophobicContact CE2-CB 3.83Å; F698-E713 HydrophobicContact CZ-CB 4.07Å
714	F	86.7	Confident	66	Low	10 Å²	10	102.5 Å²	102.5	4%	0.044	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	152.3	172.1	-77.4	-103	0	0	0	109.9	V668 A688 P689 T693 I694	V668-F714 HydrophobicContact CG2-CE1 3.58Å; V668-F714 HydrophobicContact CG2-CZ 3.91Å; A688-F714 HydrophobicContact CB-CZ 4.28Å; P689-F714 HydrophobicContact CG-CE2 4.47Å; T693-F714 WeakPolarHBondContact O-CA 3.32Å; I694-F714 HydrophobicContact CD1-CD1 4.13Å; I694-F714 HydrophobicContact CD1-CE1 3.74Å; I694-F714 HydrophobicContact CD1-CE2 4.11Å; I694-F714 HydrophobicContact CD1-CZ 3.72Å
715	E	85.9	Confident	63.6	Low	99 Å²	99	110.6 Å²	110.6	46%	0.463	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-62.1	141.3	166.6	-68.4	-176.1	161.3	0	0	109.6	T693 K695 E717	T693-E715 WeakPolarHBondContact CB-OE2 3.31Å; T693-E715 HydrophobicContact CG2-CG 4.42Å; T693-E715 PolarHBondContact O-N 2.68Å; K695-E715 HydrophobicContact CB-CG 3.75Å; K695-E715 HydrophobicContact CG-CG 4.32Å; E715-E717 PolarHBondContact O-N 2.75Å
716	E	73.8	Confident	62.6	Low	166 Å²	166	116.1 Å²	116.1	78%	0.776	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.3	120.9	170.6	-71.4	-179.2	171.4	0	0	107.6	E718	E716-E718 PolarHBondContact O-N 2.99Å
717	E	53.6	Low	61.7	Low	162 Å²	162	117 Å²	117	76%	0.757	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-65.4	121.3	162.1	-74.6	-178.9	158.2	0	0	106.4	E715 S719	E715-E717 PolarHBondContact O-N 2.75Å; E717-S719 PolarHBondContact O-N 3.12Å
718	E	38.2	Very low	60.8	Low	200 Å²	200	117.7 Å²	117.7	94%	0.935	58%	0.578	S	S	*	*			trans	-58	92.1	166.1	-81.4	-174.8	149.8	0	0	107.7	E716 D720	E716-E718 PolarHBondContact O-N 2.99Å; E718-D720 PolarHBondContact O-N 2.96Å; E718-D720 VanDerWaalsContact O-N 3.13Å
719	S	36.9	Very low	59.9	Low	106 Å²	106	117.8 Å²	117.8	74%	0.741	58%	0.58	S	S	*	*			trans	-63.4	114.5	165.3	57.7	0	0	0	0	106.7	E717 K721	E717-S719 PolarHBondContact O-N 3.12Å; S719-K721 PolarHBondContact O-N 2.96Å
720	D	34.8	Very low	58.4	Low	140 Å²	140	123.1 Å²	123.1	75%	0.749	60%	0.604	S	S	*	*			trans	-32.1	104.5	174.6	-105.7	-40.5	0	0	0	111.8	E718 R722	E718-D720 PolarHBondContact O-N 2.96Å; E718-D720 VanDerWaalsContact O-N 3.13Å; D720-R722 PolarHBondContact O-N 3.13Å
721	K	33.9	Very low	56.5	Low	210 Å²	210	127.4 Å²	127.4	91%	0.913	62%	0.619	S	S	*	*			trans	-72.3	73.2	155.9	-83	-177.7	176.9	174.8	0	107.6	S719	S719-K721 PolarHBondContact O-N 2.96Å
722	R	39.2	Very low	54.3	Low	210 Å²	210	136.5 Å²	136.5	79%	0.792	66%	0.663	S	S	*	*			trans	-137.5	116	159.8	-74.8	-169.9	-172	-179.5	5.1	109.1	D720	D720-R722 PolarHBondContact O-N 3.13Å
723	E	35.2	Very low	51.8	Low	195 Å²	195	146.9 Å²	146.9	91%	0.911	71%	0.714	S	S	*	*			trans	118.5	82.3	161.4	-66.5	-176.1	176.5	0	0	114.8
724	S	32.1	Very low	48.6	Very low	117 Å²	117	157.5 Å²	157.5	82%	0.818	77%	0.765	S	S	*	*				-179.4	93.2	119.8	61.7	0	0	0	0	109.3
725	E	33.2	Very low	45.2	Very low	275 Å²	275	170.9 Å²	170.9	100%	1.285	83%	0.831	S	S	*	*			trans	-77.8	0	143.8	-83.8	-175.1	158.1	0	0	109.1

Retrieved 725 of 725 residues in 4146.7 ms (Link to these results)

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