A0A077ZFA7_TRITR Loading...

Cyclic di-GMP-binding protein

Binds the cellulose synthase activator, bis-(3'-5') cyclic diguanylic acid (c-di-GMP).

AlphaFold DB , UniProt , Accession A0A077ZFA7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 767 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	31.4	Very low	250 Å²	250	148.4 Å²	148.4	100%	1.232	85%	0.852	S	S	*	*				0	114.4	0	-79.6	174.8	173.1	0	0	107.4
2	G	33.5	Very low	31	Very low	76 Å²	76	151.1 Å²	151.1	78%	0.784	85%	0.852	S	S	*	*			trans	-88.5	143.1	173.8	0	0	0	0	0	110.6
3	M	35.1	Very low	31.2	Very low	200 Å²	200	147.7 Å²	147.7	99%	0.985	85%	0.854	S	S	*	*			trans	-135.1	110.3	158.9	-80.8	-142.6	-111.3	0	0	109
4	S	30.7	Very low	30.9	Very low	111 Å²	111	146.6 Å²	146.6	78%	0.776	85%	0.851	S	S	*	*			trans	-88.6	142.4	164.5	33.2	0	0	0	0	109.1
5	A	34.2	Very low	31.1	Very low	103 Å²	103	144.3 Å²	144.3	85%	0.851	84%	0.843	S	S	*	*			trans	-155.3	121.8	159.3	0	0	0	0	0	110.9
6	F	26.1	Very low	30.8	Very low	196 Å²	196	140.6 Å²	140.6	86%	0.86	83%	0.834	S	S	*	*			trans	-87.9	162	171.9	-75.1	-93	0	0	0	111.5
7	P	36.2	Very low	30.8	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	83%	0.834	S	S	*	*				-132.4	129.8	128.7	27.9	-11.1	0	0	0	111
8	S	28.3	Very low	30.3	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	83%	0.831	S	S	*	*				63.2	138.3	80.2	-56.3	0	0	0	0	113.9
9	F	27.2	Very low	30.3	Very low	182 Å²	182	140.9 Å²	140.9	80%	0.798	83%	0.83	S	S	*	*			cis	-176.6	153.7	-16	-122.7	-77.4	0	0	0	105.6
10	M	25.7	Very low	30	Very low	163 Å²	163	140.9 Å²	140.9	80%	0.803	83%	0.825	S	S	*	*			trans	71.8	139.6	161.7	-60.4	-171.8	179	0	0	118
11	T	32	Very low	29.9	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	82%	0.824	S	S	*	*			cis	-161.3	160.2	43.3	-28	0	0	0	0	112.1
12	Q	26.1	Very low	29.7	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	81%	0.805	S	S	*	*			trans	-68.6	150.3	-174.9	-63.6	163.2	-40.2	0	0	116.2
13	A	34.6	Very low	29.3	Very low	107 Å²	107	137.8 Å²	137.8	88%	0.884	80%	0.803	S	S	*	*			trans	-161.2	121.9	139	0	0	0	0	0	111.4
14	T	26.1	Very low	28.9	Very low	132 Å²	132	137.1 Å²	137.1	81%	0.81	80%	0.798	S	S	*	*			trans	-98.7	175.8	167.3	-2.7	0	0	0	0	108.4
15	P	34.6	Very low	29	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	80%	0.796	S	S	*	*			cis	-141.4	-179.9	-4.3	37.6	-16.4	0	0	0	116.8
16	A	26.6	Very low	28.7	Very low	85 Å²	85	137.4 Å²	137.4	70%	0.702	80%	0.797	S	S	*	*			trans	69.6	116.4	143.2	0	0	0	0	0	121
17	T	29.5	Very low	29	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	80%	0.797	S	S	*	*				-179.7	124.7	104.4	-68.1	0	0	0	0	109.8
18	Q	23.1	Very low	28.7	Very low	166 Å²	166	133.6 Å²	133.6	78%	0.776	80%	0.797	S	S	*	*			trans	-80.5	153.4	165	-73.9	175.3	-32.7	0	0	109.7
19	P	29.1	Very low	28.7	Very low	126 Å²	126	133.5 Å²	133.5	82%	0.818	80%	0.802	S	S	*	*				-139.2	152.9	98.9	30.9	-14.5	0	0	0	114.5
20	L	23.9	Very low	28.8	Very low	141 Å²	141	133.6 Å²	133.6	74%	0.738	81%	0.805	S	S	*	*			trans	-67.4	151.7	165.9	-65.2	98.4	0	0	0	110.9
21	I	28.8	Very low	29.1	Very low	153 Å²	153	132 Å²	132	79%	0.785	81%	0.805	S	S	*	*				177.5	129.7	121.8	-87.6	155.3	0	0	0	110.9
22	N	32	Very low	29.1	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	81%	0.811	S	S	*	*			trans	75.2	129.4	155.6	-69.5	-2.7	0	0	0	123
23	A	24.9	Very low	29.3	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	81%	0.812	S	S	*	*			trans	-99.1	162.6	-177	0	0	0	0	0	112.2
24	E	27.4	Very low	29.3	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	81%	0.807	S	S	*	*			trans	80.4	147.9	160.3	-77.4	-178.6	143	0	0	121
25	P	33.1	Very low	29.8	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	80%	0.801	S	S	*	*			cis	-124.5	159.7	-12.5	29.6	-9.7	0	0	0	114.7
26	A	26.9	Very low	29.7	Very low	107 Å²	107	137 Å²	137	88%	0.884	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-64.3	126	178.6	0	0	0	0	0	112.8
27	V	32.3	Very low	30.2	Very low	143 Å²	143	137.4 Å²	137.4	87%	0.867	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.4	132.1	164.2	179.7	0	0	0	0	108.1
28	A	30	Very low	30.8	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-50.2	139	-171.2	0	0	0	0	0	114.6	Q30	A28-Q30 PolarHBondContact O-N 3.49Å
29	A	28.9	Very low	31.3	Very low	102 Å²	102	133 Å²	133	84%	0.843	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.7	175.3	0	0	0	0	0	111.3	T31	A29-T31 PolarHBondContact O-N 3.24Å
30	Q	29.3	Very low	31.6	Very low	184 Å²	184	129.8 Å²	129.8	86%	0.86	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-68.7	125.7	164.8	-70.5	-177.2	-36.1	0	0	108.5	A28 E32	A28-Q30 PolarHBondContact O-N 3.49Å; Q30-E32 PolarHBondContact O-N 3.15Å
31	T	32.5	Very low	31.8	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-48	121.4	170.8	35.5	0	0	0	0	111.4	A29 Q33	A29-T31 PolarHBondContact O-N 3.24Å; T31-Q33 PolarHBondContact O-N 3.16Å; T31-Q33 VanDerWaalsContact O-N 3.16Å
32	E	31.3	Very low	32.2	Very low	197 Å²	197	128.4 Å²	128.4	92%	0.921	75%	0.745	S	S	*	*			trans	-54	112.7	172.2	-71.6	175.2	150.8	0	0	110.5	Q30 N34	Q30-E32 PolarHBondContact O-N 3.15Å; E32-N34 PolarHBondContact O-N 3.38Å
33	Q	29.8	Very low	32.4	Very low	186 Å²	186	124 Å²	124	87%	0.869	74%	0.736	S	S	*	*			trans	-72.7	122	164.9	-75.7	176.8	-25.8	0	0	108.5	T31	T31-Q33 PolarHBondContact O-N 3.16Å; T31-Q33 VanDerWaalsContact O-N 3.16Å
34	N	36.3	Very low	32.7	Very low	146 Å²	146	125.6 Å²	125.6	78%	0.781	74%	0.737	S	S	*	*			trans	-51.8	125.8	172.1	-110.2	-10.9	0	0	0	109.9	E32 Q36	E32-N34 PolarHBondContact O-N 3.38Å; N34-Q36 PolarHBondContact O-N 3.01Å; N34-Q36 VanDerWaalsContact O-N 3.15Å
35	P	36.1	Very low	33	Very low	107 Å²	107	125.6 Å²	125.6	70%	0.695	74%	0.737	S	S	*	*			trans	-69.3	114.5	-178.2	24.9	-29.8	0	0	0	110.2	V37	P35-V37 HydrophobicContact CB-CG2 4.18Å; P35-V37 PolarHBondContact O-N 3.2Å
36	Q	33.1	Very low	33.5	Very low	132 Å²	132	123.7 Å²	123.7	62%	0.617	74%	0.738	S	S	*	*			trans	-69.5	107.5	166.1	-73.1	-166.1	-38.9	0	0	108.6	N34	N34-Q36 PolarHBondContact O-N 3.01Å; N34-Q36 VanDerWaalsContact O-N 3.15Å
37	V	35.4	Very low	34.1	Very low	93 Å²	93	121.6 Å²	121.6	56%	0.564	72%	0.721	S	S	*	*			trans	-111.4	101.3	-179.8	-174.9	0	0	0	0	109.1	P35	P35-V37 HydrophobicContact CB-CG2 4.18Å; P35-V37 PolarHBondContact O-N 3.2Å
38	G	43.2	Very low	34.8	Very low	40 Å²	40	119.9 Å²	119.9	41%	0.412	71%	0.707	S	S	.	*			trans	133	66.5	178.2	0	0	0	0	0	112.5
39	Q	33	Very low	35.8	Very low	168 Å²	168	118.6 Å²	118.6	79%	0.785	70%	0.696	S	S	*	*	B	Isolated β-bridge	trans	-84.6	115.4	165.5	-79.3	-172.6	-12.9	0	0	108.9
40	V	35.5	Very low	37	Very low	59 Å²	59	115.4 Å²	115.4	36%	0.358	67%	0.666	S	S	.	*			trans	-63.3	130.2	155.4	-176.3	0	0	0	0	105.9	L130 M145	V40-L130 HydrophobicContact CG2-CD2 3.79Å; V40-M145 HydrophobicContact CG2-CE 4.43Å
41	M	29.1	Very low	38.2	Very low	170 Å²	170	114 Å²	114	84%	0.837	67%	0.67	S	S	*	*			trans	-50.1	128.6	176.7	-69.1	-177.5	74.6	0	0	108.6	G43	M41-G43 PolarHBondContact O-N 3.08Å
42	P	35.3	Very low	39.2	Very low	96 Å²	96	110.4 Å²	110.4	62%	0.623	65%	0.648	S	S	*	*			trans	-61.1	115.2	-178.3	21.5	-29.5	0	0	0	108.8
43	G	36.1	Very low	40.5	Very low	65 Å²	65	103.9 Å²	103.9	67%	0.67	63%	0.627	S	S	*	*			trans	-52.2	140.5	155	0	0	0	0	0	108.1	M41 Q45	M41-G43 PolarHBondContact O-N 3.08Å; G43-Q45 PolarHBondContact O-N 2.92Å; G43-Q45 VanDerWaalsContact O-N 3.14Å
44	V	31.9	Very low	41.8	Very low	123 Å²	123	103.9 Å²	103.9	75%	0.745	63%	0.628	S	S	*	*			trans	-34.1	115.3	-172.4	-175.4	0	0	0	0	112.2	G46 A47	V44-G46 PolarHBondContact O-N 3.46Å; V44-G46 VanDerWaalsContact O-N 3.16Å; V44-A47 HydrophobicContact CB-CB 4.5Å; V44-A47 HydrophobicContact CG1-CB 4Å
45	Q	34.4	Very low	43.4	Very low	187 Å²	187	104.1 Å²	104.1	87%	0.874	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	116.5	175.4	-81.4	-176.1	-24.6	0	0	110	G43	G43-Q45 PolarHBondContact O-N 2.92Å; G43-Q45 VanDerWaalsContact O-N 3.14Å
46	G	43.1	Very low	45.2	Very low	73 Å²	73	99.5 Å²	99.5	75%	0.753	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.4	6.2	162	0	0	0	0	0	117.8	V44 D48	V44-G46 PolarHBondContact O-N 3.46Å; V44-G46 VanDerWaalsContact O-N 3.16Å; G46-D48 VanDerWaalsContact C-N 3.31Å; G46-D48 PolarHBondContact O-N 3.43Å
47	A	39.6	Very low	47.9	Very low	63 Å²	63	95.7 Å²	95.7	52%	0.521	59%	0.588	S	S	.	*	S	Bend	trans	-73.1	-19.9	179.9	0	0	0	0	0	114.3	V44	V44-A47 HydrophobicContact CB-CB 4.5Å; V44-A47 HydrophobicContact CG1-CB 4Å
48	D	47.9	Very low	50.5	Low	107 Å²	107	95.3 Å²	95.3	57%	0.572	59%	0.589	S	S	*	*	S	Bend	trans	-146.7	28.2	-164.3	-73.7	-50	0	0	0	113.4	G46 L150	G46-D48 VanDerWaalsContact C-N 3.31Å; G46-D48 PolarHBondContact O-N 3.43Å; D48-L150 HydrophobicContact CB-CD1 3.66Å; D48-L150 WeakPolarHBondContact O-CD1 3.21Å; D48-L150 WeakPolarHBondContact O-CD2 2.81Å; D48-L150 WeakPolarHBondContact O-CG 3.47Å
49	A	50.5	Low	52.8	Low	62 Å²	62	97.1 Å²	97.1	51%	0.512	58%	0.583	S	S	.	*			trans	-72.3	140.5	169.4	0	0	0	0	0	109.5
50	P	53.1	Low	55.7	Low	35 Å²	35	95.4 Å²	95.4	23%	0.227	58%	0.58	C	S	.	*			trans	-52.5	147	172.9	20.2	-29.9	0	0	0	110.1	V52 V95	P50-V52 VanDerWaalsContact C-N 3.33Å; P50-V52 WeakPolarHBondContact O-CG2 3.41Å; P50-V52 PolarHBondContact O-N 2.86Å; P50-V95 HydrophobicContact CG-CG2 4.46Å
51	V	54.4	Low	58.4	Low	154 Å²	154	94 Å²	94	93%	0.933	57%	0.571	S	S	*	*			trans	-64.3	96.2	178.1	-179.5	0	0	0	0	108.6
52	V	54	Low	61.5	Low	56 Å²	56	91.9 Å²	91.9	34%	0.339	56%	0.557	S	S	.	*			trans	-81.5	132.1	-179	159.1	0	0	0	0	109.6	P50 Q54 T97	P50-V52 VanDerWaalsContact C-N 3.33Å; P50-V52 WeakPolarHBondContact O-CG2 3.41Å; P50-V52 PolarHBondContact O-N 2.86Å; V52-Q54 PolarHBondContact O-N 3.33Å; V52-T97 HydrophobicContact CG2-CG2 3.34Å
53	A	59.4	Low	64.2	Low	59 Å²	59	88.8 Å²	88.8	49%	0.488	54%	0.535	S	S	.	.			trans	-62.3	119.5	166.3	0	0	0	0	0	108.1	N55 G56 Q193	A53-N55 PolarHBondContact O-N 3.07Å; A53-G56 PolarHBondContact O-N 3.48Å; A53-Q193 PolarHBondContact O-NE2 3.35Å
54	Q	56.8	Low	67	Low	187 Å²	187	87.2 Å²	87.2	87%	0.874	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.4	-171.2	-69.3	-165.6	-15.4	0	0	114.9	V52	V52-Q54 PolarHBondContact O-N 3.33Å
55	N	68.7	Low	69.9	Low	150 Å²	150	81.3 Å²	81.3	80%	0.802	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	19.8	-173.4	-61.3	-33.7	0	0	0	114.7	A53	A53-N55 PolarHBondContact O-N 3.07Å
56	G	75.3	Confident	72.6	Confident	11 Å²	11	74.6 Å²	74.6	11%	0.113	45%	0.453	C	S	.	.	S	Bend	trans	-74.2	144.2	174.4	0	0	0	0	0	111.9	A53 S58 Y299	A53-G56 PolarHBondContact O-N 3.48Å; G56-S58 PolarHBondContact O-N 2.87Å; G56-Y299 WeakPolarHBondContact CA-OH 3.17Å
57	P	88.9	Confident	74.6	Confident	52 Å²	52	77.4 Å²	77.4	34%	0.338	45%	0.447	S	S	.	.			trans	-51.3	130.2	173.4	-24.5	32.7	0	0	0	110.7	Q193 T194 Y299	P57-Q193 WeakPolarHBondContact O-CA 3.45Å; P57-T194 PolarHBondContact O-N 3.31Å; P57-Y299 VanDerWaalsContact CD-CD2 3.49Å; P57-Y299 VanDerWaalsContact CD-CZ 3.43Å; P57-Y299 HydrophobicContact CG-CD1 4.29Å; P57-Y299 HydrophobicContact CG-CD2 3.64Å; P57-Y299 HydrophobicContact CG-CE2 4Å; P57-Y299 HydrophobicContact CG-CG 3.8Å
58	S	90.8	Very high	76.9	Confident	85 Å²	85	76.2 Å²	76.2	59%	0.594	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	154.4	176.9	62.6	0	0	0	0	111	G56 Y192	G56-S58 PolarHBondContact O-N 2.87Å; S58-Y192 CarbonylContact C-O 3.45Å; S58-Y192 WeakPolarHBondContact CA-O 3.45Å; S58-Y192 WeakPolarHBondContact CB-O 3.27Å
59	R	91.8	Very high	78.8	Confident	77 Å²	77	71.6 Å²	71.6	29%	0.291	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.1	175.2	63.8	-174.9	-175.5	106.9	1.5	110.2	V61 E94 Y192	R59-V61 HydrophobicContact CG-CG2 4.21Å; R59-E94 IonicContact CZ-OE1 3.1Å; R59-E94 VanDerWaalsContact CZ-OE1 3.3Å; R59-E94 IonicContact CZ-OE2 3.66Å; R59-E94 IonicContact NE-OE1 2.81Å; R59-E94 PolarHBondContact NE-OE1 3.21Å; R59-E94 IonicContact NE-OE2 3.68Å; R59-E94 VanDerWaalsContact NH2-CD 3.3Å; R59-E94 IonicContact NH2-OE1 2.77Å; R59-E94 PolarHBondContact NH2-OE1 3.43Å; R59-E94 IonicContact NH2-OE2 3.73Å; R59-E94 PolarHBondContact NH2-OE2 2.97Å; R59-Y192 PolarHBondContact N-O 2.68Å; R59-Y192 PolarHBondContact O-N 3.34Å
60	D	93.1	Very high	80.2	Confident	132 Å²	132	72.5 Å²	72.5	71%	0.706	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	133.7	170.6	-66	-39	0	0	0	109.7	L190 T191	D60-L190 CarbonylContact C-O 3.49Å; D60-L190 WeakPolarHBondContact CA-O 3.48Å; D60-T191 WeakPolarHBondContact OD1-CB 3.41Å; D60-T191 WeakPolarHBondContact OD1-CG2 3.41Å; D60-T191 PolarHBondContact OD1-OG1 3.46Å
61	V	92.4	Very high	81.3	Confident	31 Å²	31	77 Å²	77	19%	0.188	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.2	-177.3	178	0	0	0	0	108.4	R59 L63 L190 Y192	R59-V61 HydrophobicContact CG-CG2 4.21Å; V61-L63 HydrophobicContact CG1-CD2 3.69Å; V61-L63 HydrophobicContact CG1-CG 4.04Å; V61-L190 PolarHBondContact N-O 3.4Å; V61-L190 PolarHBondContact O-N 3.15Å; V61-Y192 HydrophobicContact CB-CD2 3.95Å; V61-Y192 HydrophobicContact CB-CE2 3.76Å; V61-Y192 HydrophobicContact CG1-CE2 4.18Å; V61-Y192 HydrophobicContact CG2-CD2 3.56Å; V61-Y192 HydrophobicContact CG2-CE2 3.76Å
62	K	94.1	Very high	82.7	Confident	124 Å²	124	74 Å²	74	54%	0.539	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.8	172.8	179.5	165.8	-174.2	172.2	0	109.7	T64 D189	K62-T64 HydrophobicContact CG-CG2 4.37Å; K62-D189 WeakPolarHBondContact CD-OD1 3.31Å; K62-D189 VanDerWaalsContact CG-OD1 3.29Å; K62-D189 WeakPolarHBondContact CG-OD1 3.27Å
63	L	92.6	Very high	84.1	Confident	31 Å²	31	71.4 Å²	71.4	16%	0.162	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.7	175.2	-57.7	179.5	0	0	0	109.2	V61 I68 F88 G187 L188 L190	V61-L63 HydrophobicContact CG1-CD2 3.69Å; V61-L63 HydrophobicContact CG1-CG 4.04Å; L63-I68 HydrophobicContact CB-CD1 3.83Å; L63-I68 HydrophobicContact CB-CG1 4.42Å; L63-I68 HydrophobicContact CB-CG2 4.16Å; L63-I68 HydrophobicContact CD1-CD1 4.47Å; L63-F88 HydrophobicContact CD1-CB 3.89Å; L63-F88 HydrophobicContact CD1-CG 4.37Å; L63-G187 CarbonylContact O-C 3.56Å; L63-G187 WeakPolarHBondContact O-CA 3.45Å; L63-L188 HydrophobicContact CB-CB 4.45Å; L63-L188 PolarHBondContact N-O 3.23Å; L63-L188 PolarHBondContact O-N 2.94Å; L63-L190 HydrophobicContact CD1-CD1 3.8Å; L63-L190 HydrophobicContact CG-CD1 4.48Å
64	T	93.9	Very high	85.6	Confident	32 Å²	32	70.3 Å²	70.3	20%	0.196	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.9	178.7	62.4	0	0	0	0	111.1	K62 A66 Q67 I68 S186	K62-T64 HydrophobicContact CG-CG2 4.37Å; T64-A66 PolarHBondContact O-N 2.88Å; T64-Q67 WeakPolarHBondContact O-CA 3.4Å; T64-Q67 WeakPolarHBondContact O-CB 3.36Å; T64-Q67 PolarHBondContact O-N 3.48Å; T64-Q67 VanDerWaalsContact OG1-CD 3.31Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.47Å; T64-Q67 PolarHBondContact OG1-OE1 3.39Å; T64-I68 WeakPolarHBondContact O-CG1 3.22Å; T64-I68 PolarHBondContact O-N 2.85Å; T64-S186 CarbonylContact C-O 3.37Å
65	F	93.3	Very high	87.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-29.5	175.4	-81.6	31.9	0	0	0	111.1	Q67 I68 A69 G73 M75 I86 L101 L103 L160 V182 S186	F65-Q67 PolarHBondContact O-N 3.37Å; F65-Q67 VanDerWaalsContact O-N 3.1Å; F65-I68 PolarHBondContact O-N 3.37Å; F65-A69 HydrophobicContact CB-CB 3.99Å; F65-A69 HydrophobicContact CD2-CB 4.39Å; F65-A69 HydrophobicContact CG-CB 4.31Å; F65-A69 WeakPolarHBondContact O-CA 3.49Å; F65-A69 WeakPolarHBondContact O-CB 3.26Å; F65-A69 PolarHBondContact O-N 2.84Å; F65-G73 CarbonylContact C-O 3.53Å; F65-G73 WeakPolarHBondContact O-CA 3.31Å; F65-M75 HydrophobicContact CD2-CE 3.84Å; F65-M75 HydrophobicContact CE2-CE 3.76Å; F65-M75 HydrophobicContact CE2-SD 4.35Å; F65-I86 HydrophobicContact CD1-CD1 4.14Å; F65-I86 HydrophobicContact CD1-CG2 4.06Å; F65-I86 HydrophobicContact CD2-CG2 4.08Å; F65-I86 HydrophobicContact CE1-CD1 3.42Å; F65-I86 VanDerWaalsContact CE1-CD1 3.42Å; F65-I86 HydrophobicContact CE1-CG1 4.26Å; F65-I86 HydrophobicContact CE1-CG2 3.97Å; F65-I86 HydrophobicContact CE2-CG2 3.96Å; F65-I86 HydrophobicContact CG-CG2 4.12Å; F65-I86 HydrophobicContact CZ-CD1 3.89Å; F65-I86 HydrophobicContact CZ-CG1 4.31Å; F65-I86 HydrophobicContact CZ-CG2 3.91Å; F65-L101 HydrophobicContact CE1-CD1 4.14Å; F65-L101 HydrophobicContact CZ-CD1 4.25Å; F65-L103 HydrophobicContact CE2-CD2 4.35Å; F65-L103 HydrophobicContact CZ-CD2 3.93Å; F65-L160 HydrophobicContact CE2-CD1 4.08Å; F65-L160 HydrophobicContact CZ-CD1 4.38Å; F65-V182 HydrophobicContact CD2-CG1 4Å; F65-V182 HydrophobicContact CE2-CG1 3.72Å; F65-S186 WeakPolarHBondContact CD1-O 3.44Å; F65-S186 PolarHBondContact N-O 2.88Å
66	A	89.9	Confident	88.6	Confident	45 Å²	45	58.3 Å²	58.3	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-54.9	-26.6	169.4	0	0	0	0	0	114.3	T64 R184	T64-A66 PolarHBondContact O-N 2.88Å; A66-R184 HydrophobicContact CB-CB 4.31Å; A66-R184 PolarHBondContact N-O 3.33Å
67	Q	86.2	Confident	89.5	Confident	133 Å²	133	57.9 Å²	57.9	62%	0.621	33%	0.334	S	S	*	.	H	α-helix	trans	-98.7	-40.6	-180	-67.4	164	-21	0	0	113.1	T64 F65	T64-Q67 WeakPolarHBondContact O-CA 3.4Å; T64-Q67 WeakPolarHBondContact O-CB 3.36Å; T64-Q67 PolarHBondContact O-N 3.48Å; T64-Q67 VanDerWaalsContact OG1-CD 3.31Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.47Å; T64-Q67 PolarHBondContact OG1-OE1 3.39Å; F65-Q67 PolarHBondContact O-N 3.37Å; F65-Q67 VanDerWaalsContact O-N 3.1Å
68	I	88.1	Confident	89.8	Confident	37 Å²	37	60.7 Å²	60.7	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-110.9	-12.7	-169.4	62.8	165.2	0	0	0	114.8	L63 T64 F65 I86	L63-I68 HydrophobicContact CB-CD1 3.83Å; L63-I68 HydrophobicContact CB-CG1 4.42Å; L63-I68 HydrophobicContact CB-CG2 4.16Å; L63-I68 HydrophobicContact CD1-CD1 4.47Å; T64-I68 WeakPolarHBondContact O-CG1 3.22Å; T64-I68 PolarHBondContact O-N 2.85Å; F65-I68 PolarHBondContact O-N 3.37Å; I68-I86 HydrophobicContact CD1-CB 4.06Å; I68-I86 HydrophobicContact CD1-CD1 3.45Å; I68-I86 VanDerWaalsContact CD1-CD1 3.45Å; I68-I86 HydrophobicContact CD1-CG1 4.25Å; I68-I86 HydrophobicContact CG1-CB 4.27Å; I68-I86 HydrophobicContact CG1-CD1 4.38Å; I68-I86 HydrophobicContact CG1-CG2 4.42Å
69	A	86.5	Confident	89.7	Confident	10 Å²	10	57.7 Å²	57.7	8%	0.083	32%	0.32	C	S	.	.	S	Bend	trans	-84	150.4	172.9	0	0	0	0	0	110.2	F65 M75 I86	F65-A69 HydrophobicContact CB-CB 3.99Å; F65-A69 HydrophobicContact CD2-CB 4.39Å; F65-A69 HydrophobicContact CG-CB 4.31Å; F65-A69 WeakPolarHBondContact O-CA 3.49Å; F65-A69 WeakPolarHBondContact O-CB 3.26Å; F65-A69 PolarHBondContact O-N 2.84Å; A69-M75 HydrophobicContact CB-CE 3.96Å; A69-I86 HydrophobicContact CB-CG2 3.68Å
70	P	80.4	Confident	89.5	Confident	82 Å²	82	55.8 Å²	55.8	53%	0.532	32%	0.316	S	S	.	.	S	Bend	trans	-50.2	142.1	173.8	-27.2	34.9	0	0	0	111.6	G73	P70-G73 PolarHBondContact O-N 2.89Å
71	P	76.6	Confident	89.3	Confident	130 Å²	130	52.6 Å²	52.6	84%	0.844	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	131.7	176.6	-27.2	34.6	0	0	0	110.9
72	P	82.8	Confident	89.3	Confident	90 Å²	90	52.7 Å²	52.7	58%	0.584	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.4	9.1	18.2	36.1	-37.1	0	0	0	116	R184	P72-R184 PolarHBondContact O-NE 3.47Å; P72-R184 VanDerWaalsContact O-NE 3.1Å; P72-R184 PolarHBondContact O-NH2 2.95Å
73	G	84.6	Confident	89.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	29%	0.292	C	S	.	.	S	Bend	trans	90.4	8.3	-177.8	0	0	0	0	0	114.4	F65 P70 R184	F65-G73 CarbonylContact C-O 3.53Å; F65-G73 WeakPolarHBondContact O-CA 3.31Å; P70-G73 PolarHBondContact O-N 2.89Å; G73-R184 WeakPolarHBondContact O-CA 3.47Å; G73-R184 WeakPolarHBondContact O-CG 3.2Å
74	S	90.6	Very high	89.3	Confident	37 Å²	37	49.2 Å²	49.2	26%	0.259	29%	0.29	S	S	.	.			trans	-125.1	158.1	165.9	51	0	0	0	0	108.5	V182	S74-V182 WeakPolarHBondContact CB-O 3.41Å
75	M	93.2	Very high	89.3	Confident	22 Å²	22	49.7 Å²	49.7	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.3	178.2	58.5	-170.9	73.3	0	0	110.3	F65 A69 L77 I86 L160 V182	F65-M75 HydrophobicContact CD2-CE 3.84Å; F65-M75 HydrophobicContact CE2-CE 3.76Å; F65-M75 HydrophobicContact CE2-SD 4.35Å; A69-M75 HydrophobicContact CB-CE 3.96Å; M75-L77 HydrophobicContact CB-CD2 4.49Å; M75-L77 HydrophobicContact CG-CD2 4.24Å; M75-L77 HydrophobicContact SD-CD2 4.33Å; M75-I86 HydrophobicContact CE-CG2 3.82Å; M75-L160 HydrophobicContact SD-CD1 3.95Å; M75-V182 HydrophobicContact CG-CB 3.65Å; M75-V182 HydrophobicContact CG-CG1 4.31Å; M75-V182 HydrophobicContact CG-CG2 3.99Å; M75-V182 PolarHBondContact N-O 3.42Å; M75-V182 PolarHBondContact O-N 3.44Å
76	V	94.7	Very high	89.3	Confident	62 Å²	62	49.8 Å²	49.8	38%	0.376	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.9	173.7	-178.4	0	0	0	0	107.1	R78 W179	V76-R78 HydrophobicContact CG1-CG 4.21Å; V76-W179 HydrophobicContact CG1-CB 4.32Å
77	L	95.6	Very high	89.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.1	175.6	-48.5	-176.8	0	0	0	108.3	M75 L118 L160 F162 W179 L180 V182	M75-L77 HydrophobicContact CB-CD2 4.49Å; M75-L77 HydrophobicContact CG-CD2 4.24Å; M75-L77 HydrophobicContact SD-CD2 4.33Å; L77-L118 HydrophobicContact CD1-CD1 3.58Å; L77-L160 HydrophobicContact CD1-CB 4Å; L77-F162 HydrophobicContact CB-CB 3.54Å; L77-F162 HydrophobicContact CB-CD1 4.22Å; L77-F162 HydrophobicContact CB-CG 4.12Å; L77-F162 HydrophobicContact CD1-CB 3.81Å; L77-F162 HydrophobicContact CG-CB 4.32Å; L77-W179 CarbonylContact O-C 3.44Å; L77-W179 VanDerWaalsContact O-CA 3.23Å; L77-W179 WeakPolarHBondContact O-CA 3.34Å; L77-L180 HydrophobicContact CB-CB 4.5Å; L77-L180 HydrophobicContact CD1-CD2 4.3Å; L77-L180 PolarHBondContact N-O 3.39Å; L77-L180 PolarHBondContact O-N 3.29Å; L77-V182 HydrophobicContact CD1-CG2 4.26Å; L77-V182 HydrophobicContact CG-CG2 4.4Å
78	R	93.9	Very high	89.5	Confident	111 Å²	111	45.1 Å²	45.1	42%	0.419	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	163.7	-176.8	-65.1	179.6	179	-95.9	0.1	110.8	V76 I80 N81 P82 L178	V76-R78 HydrophobicContact CG1-CG 4.21Å; R78-I80 VanDerWaalsContact C-N 3.27Å; R78-I80 HydrophobicContact CB-CG1 4.45Å; R78-I80 PolarHBondContact O-N 3.3Å; R78-N81 PolarHBondContact N-O 2.83Å; R78-N81 CarbonylContact O-C 3.39Å; R78-N81 PolarHBondContact O-N 3.5Å; R78-N81 VanDerWaalsContact O-N 3.13Å; R78-N81 VanDerWaalsContact O-O 3.12Å; R78-P82 WeakPolarHBondContact O-CA 3.24Å; R78-L178 VanDerWaalsContact CA-O 3.32Å; R78-L178 WeakPolarHBondContact CA-O 3.07Å
79	G	90	Very high	89.5	Confident	23 Å²	23	44.2 Å²	44.2	24%	0.237	27%	0.265	C	S	.	.	S	Bend	trans	-56.9	-38.3	176.6	0	0	0	0	0	113.9	P173 L178	G79-P173 CarbonylContact C-O 3.53Å; G79-P173 VanDerWaalsContact CA-O 3.29Å; G79-P173 WeakPolarHBondContact CA-O 3.34Å; G79-L178 PolarHBondContact N-O 3.46Å
80	I	86.9	Confident	89.6	Confident	37 Å²	37	44.6 Å²	44.6	19%	0.19	27%	0.265	C	S	.	.	S	Bend	trans	-84.3	-19	176.6	58.5	176.3	0	0	0	114.7	R78 P173 A174 E376 M480	R78-I80 VanDerWaalsContact C-N 3.27Å; R78-I80 HydrophobicContact CB-CG1 4.45Å; R78-I80 PolarHBondContact O-N 3.3Å; I80-P173 HydrophobicContact CG2-CB 4.48Å; I80-P173 PolarHBondContact N-O 2.96Å; I80-A174 HydrophobicContact CG2-CB 3.82Å; I80-E376 WeakPolarHBondContact CD1-OE1 3.45Å; I80-M480 HydrophobicContact CG2-CE 3.66Å; I80-M480 HydrophobicContact CG2-SD 3.78Å
81	N	89.4	Confident	90.1	Very high	64 Å²	64	42.1 Å²	42.1	34%	0.342	25%	0.245	S	C	.	.	S	Bend	trans	-134.8	71.4	177	-168.6	-1.9	0	0	0	108.7	R78 N83	R78-N81 PolarHBondContact N-O 2.83Å; R78-N81 CarbonylContact O-C 3.39Å; R78-N81 PolarHBondContact O-N 3.5Å; R78-N81 VanDerWaalsContact O-N 3.13Å; R78-N81 VanDerWaalsContact O-O 3.12Å; N81-N83 PolarHBondContact O-N 2.86Å
82	P	92.7	Very high	90.7	Very high	34 Å²	34	38.4 Å²	38.4	22%	0.221	22%	0.222	C	C	.	.			trans	-77.8	-11.8	-169.5	30	-35.8	0	0	0	112.7	R78 E161 F162	R78-P82 WeakPolarHBondContact O-CA 3.24Å; P82-E161 WeakPolarHBondContact O-CA 3.33Å; P82-F162 HydrophobicContact CB-CB 4.4Å; P82-F162 WeakPolarHBondContact CB-O 3.36Å; P82-F162 PolarHBondContact O-N 3.35Å
83	N	92.9	Very high	91.2	Very high	71 Å²	71	34.5 Å²	34.5	38%	0.38	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.3	-171.6	-65.7	-57.6	0	0	0	111.1	N81 R159 L160	N81-N83 PolarHBondContact O-N 2.86Å; N83-R159 PolarHBondContact OD1-NH1 2.86Å; N83-L160 WeakPolarHBondContact CA-O 3.28Å
84	G	93.3	Very high	91.5	Very high	11 Å²	11	35.2 Å²	35.2	11%	0.113	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	163.9	0	0	0	0	0	108.9	L160	G84-L160 PolarHBondContact N-O 3.36Å; G84-L160 PolarHBondContact O-N 2.86Å
85	S	93.1	Very high	91.6	Very high	41 Å²	41	35.1 Å²	35.1	29%	0.287	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.6	-178.2	56.6	0	0	0	0	112	V158	S85-V158 CarbonylContact C-O 3.4Å; S85-V158 VanDerWaalsContact CA-O 3.22Å; S85-V158 WeakPolarHBondContact CA-O 3.17Å
86	I	93.7	Very high	91.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.4	163.3	59.3	162.3	0	0	0	108.6	F65 I68 A69 M75 R157 V158	F65-I86 HydrophobicContact CD1-CD1 4.14Å; F65-I86 HydrophobicContact CD1-CG2 4.06Å; F65-I86 HydrophobicContact CD2-CG2 4.08Å; F65-I86 HydrophobicContact CE1-CD1 3.42Å; F65-I86 VanDerWaalsContact CE1-CD1 3.42Å; F65-I86 HydrophobicContact CE1-CG1 4.26Å; F65-I86 HydrophobicContact CE1-CG2 3.97Å; F65-I86 HydrophobicContact CE2-CG2 3.96Å; F65-I86 HydrophobicContact CG-CG2 4.12Å; F65-I86 HydrophobicContact CZ-CD1 3.89Å; F65-I86 HydrophobicContact CZ-CG1 4.31Å; F65-I86 HydrophobicContact CZ-CG2 3.91Å; I68-I86 HydrophobicContact CD1-CB 4.06Å; I68-I86 HydrophobicContact CD1-CD1 3.45Å; I68-I86 VanDerWaalsContact CD1-CD1 3.45Å; I68-I86 HydrophobicContact CD1-CG1 4.25Å; I68-I86 HydrophobicContact CG1-CB 4.27Å; I68-I86 HydrophobicContact CG1-CD1 4.38Å; I68-I86 HydrophobicContact CG1-CG2 4.42Å; A69-I86 HydrophobicContact CB-CG2 3.68Å; M75-I86 HydrophobicContact CE-CG2 3.82Å; I86-R157 WeakPolarHBondContact O-CA 3.28Å; I86-V158 HydrophobicContact CD1-CB 4.06Å; I86-V158 HydrophobicContact CD1-CG2 4.17Å; I86-V158 HydrophobicContact CG1-CB 3.64Å; I86-V158 HydrophobicContact CG1-CG2 4.16Å; I86-V158 PolarHBondContact N-O 3.38Å; I86-V158 PolarHBondContact O-N 3.41Å
87	E	90.4	Very high	91.4	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.341	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.9	179.7	-62	-179.8	157.3	0	0	109.4	F155 N156 R157	E87-F155 HydrophobicContact CB-CE2 4.21Å; E87-F155 HydrophobicContact CB-CZ 4.02Å; E87-F155 VanDerWaalsContact CD-CZ 3.46Å; E87-F155 HydrophobicContact CG-CZ 3.99Å; E87-F155 WeakPolarHBondContact OE2-CZ 3.45Å; E87-N156 CarbonylContact C-O 3.53Å; E87-N156 VanDerWaalsContact CA-O 3.25Å; E87-N156 WeakPolarHBondContact CA-O 3.31Å; E87-R157 HydrophobicContact CG-CB 4.42Å; E87-R157 HydrophobicContact CG-CG 4.24Å; E87-R157 IonicContact OE1-CZ 3.65Å; E87-R157 IonicContact OE1-NE 2.86Å; E87-R157 PolarHBondContact OE1-NE 2.89Å; E87-R157 IonicContact OE1-NH2 2.69Å; E87-R157 PolarHBondContact OE1-NH2 2.81Å
88	F	90.8	Very high	91.3	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.9	174.4	70.1	-82.2	0	0	0	110.7	L63 L122 I152 N156 V158 L188 L190	L63-F88 HydrophobicContact CD1-CB 3.89Å; L63-F88 HydrophobicContact CD1-CG 4.37Å; F88-L122 HydrophobicContact CE1-CD1 4.43Å; F88-I152 HydrophobicContact CE2-CG2 4.18Å; F88-I152 HydrophobicContact CZ-CD1 4.31Å; F88-I152 HydrophobicContact CZ-CG1 4.41Å; F88-I152 HydrophobicContact CZ-CG2 4.46Å; F88-N156 HydrophobicContact CD1-CB 3.8Å; F88-N156 HydrophobicContact CD2-CB 4.19Å; F88-N156 HydrophobicContact CE1-CB 3.38Å; F88-N156 HydrophobicContact CE2-CB 3.82Å; F88-N156 HydrophobicContact CG-CB 4.19Å; F88-N156 HydrophobicContact CZ-CB 3.4Å; F88-N156 PolarHBondContact N-O 3.25Å; F88-N156 WeakPolarHBondContact O-CB 3.32Å; F88-N156 PolarHBondContact O-N 3.29Å; F88-N156 PolarHBondContact O-ND2 2.84Å; F88-V158 HydrophobicContact CD1-CG2 4.35Å; F88-V158 HydrophobicContact CE1-CG2 3.78Å; F88-L188 HydrophobicContact CD1-CD2 3.69Å; F88-L188 HydrophobicContact CD2-CD2 4.32Å; F88-L188 HydrophobicContact CE1-CD2 3.41Å; F88-L188 VanDerWaalsContact CE1-CD2 3.41Å; F88-L188 HydrophobicContact CE2-CD2 4.09Å; F88-L188 HydrophobicContact CG-CD2 4.14Å; F88-L188 HydrophobicContact CZ-CD2 3.64Å; F88-L190 HydrophobicContact CD2-CD1 3.96Å; F88-L190 HydrophobicContact CE2-CD1 3.95Å
89	G	86.7	Confident	91.4	Very high	18 Å²	18	33.8 Å²	33.8	19%	0.186	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	158.2	175	0	0	0	0	0	111.9
90	M	89	Confident	91.7	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.089	19%	0.192	C	C	.	.			trans	-119.8	140.5	166.5	-175.5	175.5	76.7	0	0	108.9	V96 I152 D154 Y192	M90-V96 HydrophobicContact SD-CG2 3.95Å; M90-I152 HydrophobicContact SD-CG2 4.27Å; M90-D154 PolarHBondContact N-O 3.09Å; M90-Y192 HydrophobicContact CG-CD1 4.47Å; M90-Y192 HydrophobicContact CG-CE1 4.05Å
91	R	90.9	Very high	92.2	Very high	31 Å²	31	33 Å²	33	12%	0.117	18%	0.183	C	C	.	.			trans	-72.3	147	174.4	-62.5	175.2	55.4	93.7	3.1	110.6	D93 E94 P207 D210 D213	R91-D93 WeakPolarHBondContact CB-OD1 3.41Å; R91-D93 IonicContact CZ-OD1 2.8Å; R91-D93 IonicContact CZ-OD2 3.73Å; R91-D93 IonicContact NE-OD1 3.95Å; R91-D93 PolarHBondContact NE-OD1 3.33Å; R91-D93 IonicContact NE-OD2 2.79Å; R91-D93 IonicContact NH2-OD1 2.72Å; R91-D93 PolarHBondContact NH2-OD1 2.91Å; R91-D93 IonicContact NH2-OD2 2.78Å; R91-D93 PolarHBondContact NH2-OD2 3.48Å; R91-D93 PolarHBondContact O-N 2.98Å; R91-E94 HydrophobicContact CB-CB 4.35Å; R91-E94 HydrophobicContact CB-CG 4.27Å; R91-E94 PolarHBondContact O-N 2.84Å; R91-E94 VanDerWaalsContact O-N 3.11Å; R91-P207 PolarHBondContact NH2-O 2.77Å; R91-D210 VanDerWaalsContact CA-OD2 3.28Å; R91-D210 WeakPolarHBondContact CA-OD2 3.35Å; R91-D213 WeakPolarHBondContact CD-OD2 3.31Å; R91-D213 HydrophobicContact CG-CB 4Å; R91-D213 IonicContact CZ-OD2 2.78Å; R91-D213 IonicContact NE-OD2 3.21Å; R91-D213 IonicContact NH1-OD2 3.53Å; R91-D213 PolarHBondContact NH1-OD2 3.29Å
92	S	90.8	Very high	92.6	Very high	51 Å²	51	31.1 Å²	31.1	36%	0.357	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.4	176.9	-68.3	0	0	0	0	114.2	D210 R212	S92-D210 PolarHBondContact N-OD2 3.27Å; S92-R212 PolarHBondContact OG-NH1 3.48Å
93	D	91.6	Very high	92.9	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.048	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	12.5	175.7	63.6	-21.8	0	0	0	113.3	R91 L195 V197 P207	R91-D93 WeakPolarHBondContact CB-OD1 3.41Å; R91-D93 IonicContact CZ-OD1 2.8Å; R91-D93 IonicContact CZ-OD2 3.73Å; R91-D93 IonicContact NE-OD1 3.95Å; R91-D93 PolarHBondContact NE-OD1 3.33Å; R91-D93 IonicContact NE-OD2 2.79Å; R91-D93 IonicContact NH2-OD1 2.72Å; R91-D93 PolarHBondContact NH2-OD1 2.91Å; R91-D93 IonicContact NH2-OD2 2.78Å; R91-D93 PolarHBondContact NH2-OD2 3.48Å; R91-D93 PolarHBondContact O-N 2.98Å; D93-L195 PolarHBondContact O-N 3.31Å; D93-V197 HydrophobicContact CB-CG1 3.89Å; D93-P207 HydrophobicContact CB-CB 4.07Å; D93-P207 VanDerWaalsContact OD2-CB 3.22Å; D93-P207 WeakPolarHBondContact OD2-CB 3.37Å
94	E	91.9	Very high	93	Very high	15 Å²	15	28.1 Å²	28.1	7%	0.07	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.9	178.5	-64.2	-177.2	143.3	0	0	111.5	R59 R91 Y192 Q193	R59-E94 IonicContact CZ-OE1 3.1Å; R59-E94 VanDerWaalsContact CZ-OE1 3.3Å; R59-E94 IonicContact CZ-OE2 3.66Å; R59-E94 IonicContact NE-OE1 2.81Å; R59-E94 PolarHBondContact NE-OE1 3.21Å; R59-E94 IonicContact NE-OE2 3.68Å; R59-E94 VanDerWaalsContact NH2-CD 3.3Å; R59-E94 IonicContact NH2-OE1 2.77Å; R59-E94 PolarHBondContact NH2-OE1 3.43Å; R59-E94 IonicContact NH2-OE2 3.73Å; R59-E94 PolarHBondContact NH2-OE2 2.97Å; R91-E94 HydrophobicContact CB-CB 4.35Å; R91-E94 HydrophobicContact CB-CG 4.27Å; R91-E94 PolarHBondContact O-N 2.84Å; R91-E94 VanDerWaalsContact O-N 3.11Å; E94-Y192 HydrophobicContact CB-CD1 4.21Å; E94-Q193 CarbonylContact C-O 3.52Å; E94-Q193 VanDerWaalsContact CA-O 3.31Å; E94-Q193 WeakPolarHBondContact CA-O 3.32Å
95	V	92	Very high	93.2	Very high	36 Å²	36	27.9 Å²	27.9	22%	0.218	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.3	169.7	66.7	0	0	0	0	109.9	P50 T97 Y192 Q193 L195	P50-V95 HydrophobicContact CG-CG2 4.46Å; V95-T97 HydrophobicContact CG1-CG2 4.28Å; V95-Y192 CarbonylContact O-C 3.56Å; V95-Y192 WeakPolarHBondContact O-CA 3.01Å; V95-Q193 HydrophobicContact CG1-CB 4.05Å; V95-Q193 PolarHBondContact N-O 2.86Å; V95-Q193 PolarHBondContact O-N 3.23Å; V95-L195 HydrophobicContact CB-CD2 4.38Å; V95-L195 HydrophobicContact CG1-CD2 3.95Å
96	V	92.6	Very high	93.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.2	171.5	178.5	0	0	0	0	109.4	M90 K98 A99 P149 I152 L190 T191 Y192	M90-V96 HydrophobicContact SD-CG2 3.95Å; V96-K98 VanDerWaalsContact CG1-O 3.26Å; V96-K98 WeakPolarHBondContact CG1-O 3.31Å; V96-A99 HydrophobicContact CG1-CB 4.13Å; V96-P149 HydrophobicContact CG1-CB 4.35Å; V96-P149 WeakPolarHBondContact O-CB 3.34Å; V96-I152 HydrophobicContact CB-CD1 3.84Å; V96-I152 HydrophobicContact CB-CG2 4.32Å; V96-I152 HydrophobicContact CG1-CD1 3.61Å; V96-I152 HydrophobicContact CG2-CD1 4.16Å; V96-I152 HydrophobicContact CG2-CG2 4.06Å; V96-L190 HydrophobicContact CG1-CD2 4.01Å; V96-T191 WeakPolarHBondContact CA-O 3.49Å; V96-Y192 HydrophobicContact CG2-CD1 3.68Å; V96-Y192 HydrophobicContact CG2-CE1 3.44Å; V96-Y192 VanDerWaalsContact CG2-CE1 3.44Å
97	T	91.9	Very high	93.7	Very high	34 Å²	34	27.1 Å²	27.1	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-23.5	179.3	63.4	0	0	0	0	112.5	V52 V95 T191 Q193	V52-T97 HydrophobicContact CG2-CG2 3.34Å; V95-T97 HydrophobicContact CG1-CG2 4.28Å; T97-T191 PolarHBondContact N-O 2.66Å; T97-T191 WeakPolarHBondContact OG1-CG2 3.27Å; T97-T191 PolarHBondContact OG1-O 3.33Å; T97-Q193 HydrophobicContact CG2-CB 3.68Å
98	K	93.5	Very high	94	Very high	127 Å²	127	23.7 Å²	23.7	55%	0.552	13%	0.127	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.8	176.2	-174.5	-178.9	177.9	-175.2	0	109.7	V96 L190 T191	V96-K98 VanDerWaalsContact CG1-O 3.26Å; V96-K98 WeakPolarHBondContact CG1-O 3.31Å; K98-L190 CarbonylContact O-C 3.31Å; K98-L190 WeakPolarHBondContact O-CA 3.41Å; K98-T191 PolarHBondContact O-N 2.75Å
99	A	95.4	Very high	94.3	Very high	5 Å²	5	27.2 Å²	27.2	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.4	174.2	0	0	0	0	0	110.7	V96 I147 I152 D189 L190	V96-A99 HydrophobicContact CG1-CB 4.13Å; A99-I147 HydrophobicContact CB-CB 3.78Å; A99-I147 HydrophobicContact CB-CG2 4.18Å; A99-I147 PolarHBondContact O-N 3.49Å; A99-I152 HydrophobicContact CB-CD1 3.83Å; A99-D189 CarbonylContact C-O 3.44Å; A99-D189 WeakPolarHBondContact CA-O 3.49Å; A99-L190 HydrophobicContact CB-CD2 3.5Å; A99-L190 VanDerWaalsContact CB-CD2 3.5Å
100	M	97.1	Very high	94.8	Very high	44 Å²	44	29.2 Å²	29.2	22%	0.217	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	120.1	178.7	-175.9	66.6	65.7	0	0	109.5	Q144 M145 P146 L188 D189	M100-Q144 HydrophobicContact SD-CB 4.04Å; M100-M145 VanDerWaalsContact SD-O 3.41Å; M100-P146 HydrophobicContact CE-CB 4.09Å; M100-P146 HydrophobicContact SD-CB 4.4Å; M100-L188 WeakPolarHBondContact O-CA 3.45Å; M100-D189 HydrophobicContact CB-CB 4.35Å; M100-D189 PolarHBondContact N-O 3.31Å; M100-D189 PolarHBondContact O-N 2.71Å
101	L	97.5	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.6	173.6	-179.9	67.2	0	0	0	109.2	F65 L103 V120 Q144 M145 I147 V158 L160 L188	F65-L101 HydrophobicContact CE1-CD1 4.14Å; F65-L101 HydrophobicContact CZ-CD1 4.25Å; L101-L103 HydrophobicContact CD1-CD2 4Å; L101-L103 HydrophobicContact CD1-CG 4.46Å; L101-L103 HydrophobicContact CD2-CD1 3.95Å; L101-L103 HydrophobicContact CD2-CD2 4.04Å; L101-L103 HydrophobicContact CD2-CG 3.99Å; L101-L103 HydrophobicContact CG-CD1 4.39Å; L101-L103 HydrophobicContact CG-CD2 3.97Å; L101-L103 HydrophobicContact CG-CG 3.9Å; L101-V120 HydrophobicContact CD2-CG1 3.54Å; L101-V120 HydrophobicContact CD2-CG2 4.24Å; L101-Q144 CarbonylContact O-C 2.98Å; L101-Q144 WeakPolarHBondContact O-CA 3.34Å; L101-M145 HydrophobicContact CB-CB 4.42Å; L101-M145 PolarHBondContact N-O 2.89Å; L101-M145 PolarHBondContact O-N 3.33Å; L101-I147 HydrophobicContact CB-CD1 3.94Å; L101-I147 HydrophobicContact CB-CG1 3.8Å; L101-I147 HydrophobicContact CD2-CD1 4.43Å; L101-V158 HydrophobicContact CD2-CG1 4.22Å; L101-L160 HydrophobicContact CD2-CD2 4.39Å; L101-L188 HydrophobicContact CB-CD1 4.21Å; L101-L188 HydrophobicContact CD1-CD1 4.38Å
102	N	97.6	Very high	95.4	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.134	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.3	172.2	-57.1	-79	0	0	0	108.8	Q144 S186 G187 D189	N102-Q144 WeakPolarHBondContact OD1-CG 3.29Å; N102-Q144 PolarHBondContact OD1-NE2 2.04Å; N102-S186 CarbonylContact O-C 3.54Å; N102-S186 WeakPolarHBondContact O-CA 3.31Å; N102-S186 WeakPolarHBondContact O-CB 3.46Å; N102-G187 PolarHBondContact N-O 3.05Å; N102-G187 PolarHBondContact O-N 3.01Å; N102-D189 PolarHBondContact ND2-OD2 3.23Å
103	L	97.4	Very high	95.6	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.9	178.7	-64	173.2	0	0	0	110.3	F65 L101 Y105 L118 V120 L130 L142 A143 L160 V182	F65-L103 HydrophobicContact CE2-CD2 4.35Å; F65-L103 HydrophobicContact CZ-CD2 3.93Å; L101-L103 HydrophobicContact CD1-CD2 4Å; L101-L103 HydrophobicContact CD1-CG 4.46Å; L101-L103 HydrophobicContact CD2-CD1 3.95Å; L101-L103 HydrophobicContact CD2-CD2 4.04Å; L101-L103 HydrophobicContact CD2-CG 3.99Å; L101-L103 HydrophobicContact CG-CD1 4.39Å; L101-L103 HydrophobicContact CG-CD2 3.97Å; L101-L103 HydrophobicContact CG-CG 3.9Å; L103-Y105 HydrophobicContact CB-CD1 3.98Å; L103-Y105 HydrophobicContact CB-CE1 4.43Å; L103-L118 HydrophobicContact CD1-CD2 4.02Å; L103-V120 HydrophobicContact CD1-CG2 4.36Å; L103-L130 HydrophobicContact CD1-CD1 3.78Å; L103-L142 CarbonylContact O-C 3.35Å; L103-L142 WeakPolarHBondContact O-CA 3.48Å; L103-A143 PolarHBondContact N-O 2.87Å; L103-A143 PolarHBondContact O-N 3.43Å; L103-L160 HydrophobicContact CD1-CD2 4.32Å; L103-L160 HydrophobicContact CD2-CD1 4.11Å; L103-L160 HydrophobicContact CD2-CD2 4.46Å; L103-V182 HydrophobicContact CD2-CG1 4.41Å
104	E	96.9	Very high	95.6	Very high	38 Å²	38	33.6 Å²	33.6	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.2	158.8	-177.7	-178.3	131.3	0	0	107.4	K140 T141 L142 G183 S185 S186	E104-K140 IonicContact OE1-NZ 3.31Å; E104-K140 PolarHBondContact OE1-NZ 3.13Å; E104-T141 WeakPolarHBondContact CA-O 3.39Å; E104-L142 HydrophobicContact CB-CD2 3.74Å; E104-L142 HydrophobicContact CG-CD2 3.9Å; E104-G183 PolarHBondContact O-N 3.12Å; E104-S185 WeakPolarHBondContact CB-OG 3.38Å; E104-S185 PolarHBondContact OE1-OG 3.39Å; E104-S185 PolarHBondContact OE2-OG 3.32Å; E104-S186 PolarHBondContact N-OG 3.28Å; E104-S186 PolarHBondContact O-OG 3.42Å
105	Y	97.2	Very high	95.7	Very high	5 Å²	5	37 Å²	37	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155	178.1	63.9	-86	0	0	0	112.7	L103 L118 L130 T141 A143 L180 D181	L103-Y105 HydrophobicContact CB-CD1 3.98Å; L103-Y105 HydrophobicContact CB-CE1 4.43Å; Y105-L118 HydrophobicContact CD1-CD2 4.49Å; Y105-L130 HydrophobicContact CE1-CD1 4.3Å; Y105-T141 HydrophobicContact CE1-CG2 4.28Å; Y105-T141 HydrophobicContact CE2-CG2 4.29Å; Y105-T141 PolarHBondContact N-O 2.84Å; Y105-T141 WeakPolarHBondContact O-CB 3.28Å; Y105-T141 PolarHBondContact O-N 2.83Å; Y105-A143 HydrophobicContact CE1-CB 3.86Å; Y105-L180 HydrophobicContact CD2-CD1 3.97Å; Y105-L180 HydrophobicContact CD2-CD2 4.16Å; Y105-L180 HydrophobicContact CD2-CG 4.11Å; Y105-L180 HydrophobicContact CE2-CD1 4.41Å; Y105-L180 HydrophobicContact CG-CD2 4.22Å; Y105-D181 CarbonylContact C-O 3.47Å; Y105-D181 WeakPolarHBondContact CA-O 3.03Å; Y105-D181 WeakPolarHBondContact CB-O 3.18Å
106	T	98	Very high	95.9	Very high	28 Å²	28	35.3 Å²	35.3	17%	0.172	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.7	175.9	-54.2	0	0	0	0	108.7	W179 D181	T106-W179 HydrophobicContact CG2-CH2 4.15Å; T106-W179 HydrophobicContact CG2-CZ3 4.11Å; T106-W179 WeakPolarHBondContact O-CZ3 3.39Å; T106-D181 PolarHBondContact N-O 3.4Å; T106-D181 PolarHBondContact O-N 3.45Å
107	P	97.7	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.4	172.6	28.8	-29.4	0	0	0	110.7	L111 V132 Q136 G138	P107-L111 HydrophobicContact CB-CD1 3.82Å; P107-V132 HydrophobicContact CB-CG1 3.76Å; P107-V132 HydrophobicContact CB-CG2 4.15Å; P107-V132 HydrophobicContact CG-CG1 3.9Å; P107-Q136 HydrophobicContact CG-CB 4.05Å; P107-Q136 WeakPolarHBondContact CG-O 3.35Å; P107-G138 WeakPolarHBondContact O-CA 3.23Å; P107-G138 PolarHBondContact O-N 3.38Å
108	S	97.8	Very high	96.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.198	C	C	.	.			trans	-56	138.5	174.3	169.1	0	0	0	0	112.5	S110 L111 L137 T177 W179	S108-S110 PolarHBondContact O-N 3.2Å; S108-S110 VanDerWaalsContact O-N 3.09Å; S108-S110 PolarHBondContact OG-N 3.48Å; S108-L111 WeakPolarHBondContact O-CG 2.98Å; S108-L111 PolarHBondContact O-N 3.24Å; S108-L137 WeakPolarHBondContact O-CD2 3.49Å; S108-T177 WeakPolarHBondContact CB-O 3.45Å; S108-T177 PolarHBondContact OG-O 2.82Å; S108-W179 VanDerWaalsContact CB-O 3.28Å; S108-W179 WeakPolarHBondContact CB-O 3.41Å; S108-W179 PolarHBondContact N-O 2.89Å; S108-W179 PolarHBondContact OG-NE1 3.18Å
109	P	97.2	Very high	96.6	Very high	80 Å²	80	32.3 Å²	32.3	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.6	176.4	-21.7	30.1	0	0	0	114.8
110	S	96.2	Very high	96.7	Very high	60 Å²	60	32 Å²	32	42%	0.42	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.6	-176.4	-57.9	0	0	0	0	113.7	S108 Y166	S108-S110 PolarHBondContact O-N 3.2Å; S108-S110 VanDerWaalsContact O-N 3.09Å; S108-S110 PolarHBondContact OG-N 3.48Å; S110-Y166 WeakPolarHBondContact O-CA 3.3Å; S110-Y166 WeakPolarHBondContact O-CB 3.36Å
111	L	96.6	Very high	96.7	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-74.8	143.1	-178.6	-65.1	174.1	0	0	0	111.8	P107 S108 P113 L137 F162 H165 L178	P107-L111 HydrophobicContact CB-CD1 3.82Å; S108-L111 WeakPolarHBondContact O-CG 2.98Å; S108-L111 PolarHBondContact O-N 3.24Å; L111-P113 WeakPolarHBondContact O-CD 3.47Å; L111-L137 HydrophobicContact CB-CD2 3.83Å; L111-L137 WeakPolarHBondContact O-CD2 3.48Å; L111-F162 HydrophobicContact CD1-CE2 3.97Å; L111-F162 HydrophobicContact CD1-CZ 4.02Å; L111-F162 HydrophobicContact CD2-CE2 4.38Å; L111-F162 HydrophobicContact CD2-CZ 3.84Å; L111-H165 CarbonylContact C-O 3.58Å; L111-H165 VanDerWaalsContact CA-O 3.31Å; L111-H165 WeakPolarHBondContact CA-O 3.34Å; L111-L178 HydrophobicContact CD2-CD2 3.93Å
112	L	96.1	Very high	96.7	Very high	39 Å²	39	31.7 Å²	31.7	20%	0.204	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-75.5	118.7	171.2	-63.2	-176.9	0	0	0	109.4	Q115 S116 H165	L112-Q115 HydrophobicContact CB-CB 4.28Å; L112-S116 WeakPolarHBondContact O-CB 3.15Å; L112-S116 PolarHBondContact O-N 3.08Å; L112-S116 PolarHBondContact O-OG 3.46Å; L112-S116 VanDerWaalsContact O-OG 3.06Å; L112-H165 HydrophobicContact CB-CB 4.37Å; L112-H165 HydrophobicContact CD1-CB 4.24Å; L112-H165 PolarHBondContact N-O 3.2Å
113	P	95.9	Very high	96.5	Very high	49 Å²	49	32.9 Å²	32.9	32%	0.318	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	150.1	178	-25.3	35.6	0	0	0	112.5	L111 Q115 V132 K134 L137	L111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-Q115 PolarHBondContact O-N 3.29Å; P113-V132 CarbonylContact C-O 3.59Å; P113-V132 WeakPolarHBondContact CA-O 3.48Å; P113-K134 HydrophobicContact CB-CB 4.48Å; P113-K134 HydrophobicContact CG-CB 3.99Å; P113-L137 HydrophobicContact CG-CD1 4.08Å
114	V	90.1	Very high	96.3	Very high	109 Å²	109	38.6 Å²	38.6	66%	0.661	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-42.3	-178.5	-173.6	0	0	0	0	114.1	V132	V114-V132 PolarHBondContact N-O 3.14Å
115	Q	93.9	Very high	96.2	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.411	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.7	174.5	-64.5	-176.4	7	0	0	111.3	L112 P113 H165 D168	L112-Q115 HydrophobicContact CB-CB 4.28Å; P113-Q115 PolarHBondContact O-N 3.29Å; Q115-H165 HydrophobicContact CB-CB 4.26Å; Q115-H165 PolarHBondContact O-CD2 2.89Å; Q115-D168 PolarHBondContact NE2-OD1 2.75Å
116	S	97	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-77.8	132.1	174.5	-58.2	0	0	0	0	110.4	L112 V132 V163 H165	L112-S116 WeakPolarHBondContact O-CB 3.15Å; L112-S116 PolarHBondContact O-N 3.08Å; L112-S116 PolarHBondContact O-OG 3.46Å; L112-S116 VanDerWaalsContact O-OG 3.06Å; S116-V132 WeakPolarHBondContact O-CB 2.87Å; S116-V132 WeakPolarHBondContact O-CG2 3.3Å; S116-V132 PolarHBondContact O-N 2.86Å; S116-V163 CarbonylContact C-O 3.47Å; S116-V163 WeakPolarHBondContact CA-O 3.41Å; S116-H165 PolarHBondContact OG-N 2.88Å; S116-H165 PolarHBondContact OG-O 3.33Å; S116-H165 VanDerWaalsContact OG-O 3.09Å
117	Q	96.8	Very high	96.1	Very high	56 Å²	56	45 Å²	45	26%	0.262	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155	-173.9	59.1	-174.6	1.4	0	0	111.9	V129 L130 V163	Q117-V129 HydrophobicContact CB-CG1 3.83Å; Q117-V129 HydrophobicContact CG-CG1 4.17Å; Q117-L130 CarbonylContact C-O 3.58Å; Q117-L130 WeakPolarHBondContact CA-O 3.49Å; Q117-V163 HydrophobicContact CG-CB 3.73Å; Q117-V163 HydrophobicContact CG-CG1 4.33Å; Q117-V163 HydrophobicContact CG-CG2 4.24Å; Q117-V163 PolarHBondContact N-O 3.22Å; Q117-V163 PolarHBondContact O-N 3.04Å
118	L	97.7	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.2	171.3	-176.6	65.9	0	0	0	108.6	L77 L103 Y105 L130 L160 L180	L77-L118 HydrophobicContact CD1-CD1 3.58Å; L103-L118 HydrophobicContact CD1-CD2 4.02Å; Y105-L118 HydrophobicContact CD1-CD2 4.49Å; L118-L130 HydrophobicContact CB-CB 4.31Å; L118-L130 HydrophobicContact CD2-CD1 4.45Å; L118-L130 PolarHBondContact N-O 3.17Å; L118-L130 PolarHBondContact O-N 2.92Å; L118-L160 HydrophobicContact CD1-CB 4.09Å; L118-L180 HydrophobicContact CB-CD1 4.27Å; L118-L180 HydrophobicContact CD1-CD1 4.4Å; L118-L180 HydrophobicContact CD1-CD2 4.39Å; L118-L180 HydrophobicContact CD2-CD2 4.31Å
119	K	97.8	Very high	96	Very high	43 Å²	43	47.9 Å²	47.9	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	143.2	173.8	-51	178.6	-168.6	155.5	0	109.5	Y121 L126 V129 L160 E161	K119-Y121 HydrophobicContact CB-CD2 4.31Å; K119-Y121 HydrophobicContact CB-CE2 3.64Å; K119-Y121 HydrophobicContact CD-CE2 4.02Å; K119-Y121 WeakPolarHBondContact CD-OH 3.08Å; K119-L126 HydrophobicContact CB-CD1 4.15Å; K119-V129 HydrophobicContact CG-CG1 4.43Å; K119-V129 HydrophobicContact CG-CG2 4.23Å; K119-L160 WeakPolarHBondContact O-CA 3.46Å; K119-E161 HydrophobicContact CB-CB 4.25Å; K119-E161 PolarHBondContact N-O 3.11Å; K119-E161 IonicContact NZ-OE1 3.68Å; K119-E161 PolarHBondContact NZ-OE1 3.2Å; K119-E161 PolarHBondContact O-N 2.66Å
120	V	97.9	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.1	177.8	-177.7	0	0	0	0	108.5	L101 L103 M127 G128 M145 I147 V158 L160	L101-V120 HydrophobicContact CD2-CG1 3.54Å; L101-V120 HydrophobicContact CD2-CG2 4.24Å; L103-V120 HydrophobicContact CD1-CG2 4.36Å; V120-M127 HydrophobicContact CG1-CB 4.39Å; V120-M127 PolarHBondContact O-N 3.47Å; V120-G128 PolarHBondContact N-O 2.83Å; V120-G128 PolarHBondContact O-N 2.95Å; V120-M145 HydrophobicContact CB-CE 4.01Å; V120-M145 HydrophobicContact CB-SD 3.51Å; V120-M145 VanDerWaalsContact CB-SD 3.51Å; V120-M145 HydrophobicContact CG1-SD 3.84Å; V120-M145 HydrophobicContact CG2-CE 3.61Å; V120-M145 HydrophobicContact CG2-SD 3.68Å; V120-I147 HydrophobicContact CG1-CD1 4.32Å; V120-V158 HydrophobicContact CG1-CG1 3.96Å; V120-L160 HydrophobicContact CB-CD2 4.38Å; V120-L160 HydrophobicContact CG1-CD2 4.18Å; V120-L160 HydrophobicContact CG2-CD2 3.79Å
121	Y	97.4	Very high	96	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.9	175.7	-63.6	-94.5	0	0	0	110.3	K119 E125 L126 V158 R159 E161	K119-Y121 HydrophobicContact CB-CD2 4.31Å; K119-Y121 HydrophobicContact CB-CE2 3.64Å; K119-Y121 HydrophobicContact CD-CE2 4.02Å; K119-Y121 WeakPolarHBondContact CD-OH 3.08Å; Y121-E125 CarbonylContact C-O 3.57Å; Y121-E125 WeakPolarHBondContact CA-O 3.2Å; Y121-L126 HydrophobicContact CD1-CB 4.11Å; Y121-L126 HydrophobicContact CD1-CD1 4.31Å; Y121-L126 HydrophobicContact CE1-CB 3.86Å; Y121-L126 HydrophobicContact CE1-CD1 3.89Å; Y121-L126 HydrophobicContact CE1-CG 4.45Å; Y121-L126 HydrophobicContact CE2-CD1 4.22Å; Y121-V158 CarbonylContact O-C 3.51Å; Y121-V158 VanDerWaalsContact O-CA 3.24Å; Y121-V158 WeakPolarHBondContact O-CA 3.49Å; Y121-R159 PolarHBondContact N-O 3.38Å; Y121-R159 PolarHBondContact O-N 3.06Å; Y121-E161 HydrophobicContact CD2-CB 4.5Å; Y121-E161 HydrophobicContact CE2-CB 4.13Å; Y121-E161 WeakPolarHBondContact CE2-OE2 3.37Å
122	L	96.5	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.9	164.7	169.4	64.6	0	0	0	107.5	F88 D124 E125 M127 I147 F151 I152 N156 R157 V158	F88-L122 HydrophobicContact CE1-CD1 4.43Å; L122-D124 PolarHBondContact O-N 3.03Å; L122-E125 PolarHBondContact N-O 3.45Å; L122-E125 WeakPolarHBondContact O-CB 2.97Å; L122-E125 PolarHBondContact O-N 3.44Å; L122-M127 HydrophobicContact CB-CE 4.25Å; L122-M127 HydrophobicContact CB-CG 3.67Å; L122-M127 HydrophobicContact CB-SD 3.99Å; L122-M127 HydrophobicContact CD2-SD 4.35Å; L122-I147 HydrophobicContact CB-CG2 4.49Å; L122-I147 HydrophobicContact CD2-CG2 3.46Å; L122-I147 VanDerWaalsContact CD2-CG2 3.46Å; L122-I147 HydrophobicContact CG-CG2 4.47Å; L122-F151 HydrophobicContact CD2-CB 3.74Å; L122-F151 HydrophobicContact CG-CB 4.24Å; L122-I152 HydrophobicContact CD2-CG1 3.75Å; L122-N156 HydrophobicContact CD1-CB 4.03Å; L122-R157 WeakPolarHBondContact CA-O 3.44Å; L122-V158 HydrophobicContact CD1-CG2 4.23Å
123	N	94.6	Very high	95.9	Very high	50 Å²	50	44.6 Å²	44.6	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	47.2	179.5	-59.7	-24.6	0	0	0	112.1	E125 F151 N156 R157	N123-E125 PolarHBondContact O-N 3.24Å; N123-E125 VanDerWaalsContact O-N 3.12Å; N123-F151 PolarHBondContact ND2-O 2.85Å; N123-N156 PolarHBondContact ND2-OD1 3.26Å; N123-N156 VanDerWaalsContact OD1-CA 3.29Å; N123-N156 WeakPolarHBondContact OD1-CA 3.29Å; N123-R157 PolarHBondContact N-O 3.16Å; N123-R157 PolarHBondContact OD1-N 3.2Å
124	D	92.7	Very high	95.9	Very high	124 Å²	124	49.7 Å²	49.7	66%	0.663	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	0.8	-176.6	-58.9	-49.3	0	0	0	116.8	L122	L122-D124 PolarHBondContact O-N 3.03Å
125	E	96.2	Very high	96.1	Very high	92 Å²	92	50.4 Å²	50.4	43%	0.43	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.4	171.4	-172.7	65.7	-166.2	0	0	111.2	Y121 L122 N123 M127 F151	Y121-E125 CarbonylContact C-O 3.57Å; Y121-E125 WeakPolarHBondContact CA-O 3.2Å; L122-E125 PolarHBondContact N-O 3.45Å; L122-E125 WeakPolarHBondContact O-CB 2.97Å; L122-E125 PolarHBondContact O-N 3.44Å; N123-E125 PolarHBondContact O-N 3.24Å; N123-E125 VanDerWaalsContact O-N 3.12Å; E125-M127 HydrophobicContact CB-CE 3.67Å; E125-M127 HydrophobicContact CG-CE 3.39Å; E125-M127 WeakPolarHBondContact O-CE 3.28Å; E125-M127 PolarHBondContact O-N 3.06Å; E125-F151 HydrophobicContact CB-CD1 4Å; E125-F151 HydrophobicContact CB-CE1 4.19Å; E125-F151 HydrophobicContact CB-CG 4.36Å; E125-F151 HydrophobicContact CG-CD1 3.91Å; E125-F151 HydrophobicContact CG-CD2 4.37Å; E125-F151 HydrophobicContact CG-CE1 3.65Å; E125-F151 HydrophobicContact CG-CE2 4.12Å; E125-F151 HydrophobicContact CG-CG 4.26Å; E125-F151 HydrophobicContact CG-CZ 3.75Å
126	L	96.6	Very high	96.2	Very high	80 Å²	80	47 Å²	47	42%	0.419	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	109.8	-180	-179.6	67.3	0	0	0	110.7	K119 Y121 V129	K119-L126 HydrophobicContact CB-CD1 4.15Å; Y121-L126 HydrophobicContact CD1-CB 4.11Å; Y121-L126 HydrophobicContact CD1-CD1 4.31Å; Y121-L126 HydrophobicContact CE1-CB 3.86Å; Y121-L126 HydrophobicContact CE1-CD1 3.89Å; Y121-L126 HydrophobicContact CE1-CG 4.45Å; Y121-L126 HydrophobicContact CE2-CD1 4.22Å; L126-V129 HydrophobicContact CD1-CG2 4.08Å; L126-V129 HydrophobicContact CD2-CG2 4.22Å
127	M	95.7	Very high	96.1	Very high	35 Å²	35	48.7 Å²	48.7	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-33.5	176.9	-63.8	-63.7	100.7	0	0	112.1	V120 L122 E125 M145 I147 N148 F151	V120-M127 HydrophobicContact CG1-CB 4.39Å; V120-M127 PolarHBondContact O-N 3.47Å; L122-M127 HydrophobicContact CB-CE 4.25Å; L122-M127 HydrophobicContact CB-CG 3.67Å; L122-M127 HydrophobicContact CB-SD 3.99Å; L122-M127 HydrophobicContact CD2-SD 4.35Å; E125-M127 HydrophobicContact CB-CE 3.67Å; E125-M127 HydrophobicContact CG-CE 3.39Å; E125-M127 WeakPolarHBondContact O-CE 3.28Å; E125-M127 PolarHBondContact O-N 3.06Å; M127-M145 HydrophobicContact CB-SD 4.05Å; M127-I147 HydrophobicContact CB-CD1 3.96Å; M127-I147 HydrophobicContact CG-CD1 3.86Å; M127-I147 HydrophobicContact SD-CG2 4.25Å; M127-N148 HydrophobicContact SD-CB 4.43Å; M127-F151 HydrophobicContact CE-CD2 3.82Å; M127-F151 HydrophobicContact CE-CE2 4.21Å; M127-F151 HydrophobicContact CE-CG 4.24Å
128	G	95.8	Very high	96.1	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	173.2	179.3	0	0	0	0	0	113.7	V120	V120-G128 PolarHBondContact N-O 2.83Å; V120-G128 PolarHBondContact O-N 2.95Å
129	V	96.8	Very high	96.1	Very high	49 Å²	49	54 Å²	54	30%	0.297	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.1	-179.7	-176.6	0	0	0	0	108.7	Q117 K119 L126 P131	Q117-V129 HydrophobicContact CB-CG1 3.83Å; Q117-V129 HydrophobicContact CG-CG1 4.17Å; K119-V129 HydrophobicContact CG-CG1 4.43Å; K119-V129 HydrophobicContact CG-CG2 4.23Å; L126-V129 HydrophobicContact CD1-CG2 4.08Å; L126-V129 HydrophobicContact CD2-CG2 4.22Å; V129-P131 WeakPolarHBondContact O-CD 3.09Å
130	L	96.4	Very high	96	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	103.1	178.2	-60.8	173.7	0	0	0	108.9	V40 L103 Y105 Q117 L118 A143 M145	V40-L130 HydrophobicContact CG2-CD2 3.79Å; L103-L130 HydrophobicContact CD1-CD1 3.78Å; Y105-L130 HydrophobicContact CE1-CD1 4.3Å; Q117-L130 CarbonylContact C-O 3.58Å; Q117-L130 WeakPolarHBondContact CA-O 3.49Å; L118-L130 HydrophobicContact CB-CB 4.31Å; L118-L130 HydrophobicContact CD2-CD1 4.45Å; L118-L130 PolarHBondContact N-O 3.17Å; L118-L130 PolarHBondContact O-N 2.92Å; L130-A143 HydrophobicContact CD1-CB 3.84Å; L130-A143 HydrophobicContact CD2-CB 4.29Å; L130-M145 HydrophobicContact CD1-CE 4.04Å; L130-M145 HydrophobicContact CD2-CE 3.75Å; L130-M145 HydrophobicContact CG-CE 3.61Å
131	P	96.9	Very high	95.9	Very high	63 Å²	63	59.9 Å²	59.9	41%	0.409	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.8	176	29.4	-33.7	0	0	0	110.6	V129	V129-P131 WeakPolarHBondContact O-CD 3.09Å
132	V	96.2	Very high	95.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-77.5	122.8	173.5	178.1	0	0	0	0	108.9	P107 P113 V114 S116 L137	P107-V132 HydrophobicContact CB-CG1 3.76Å; P107-V132 HydrophobicContact CB-CG2 4.15Å; P107-V132 HydrophobicContact CG-CG1 3.9Å; P113-V132 CarbonylContact C-O 3.59Å; P113-V132 WeakPolarHBondContact CA-O 3.48Å; V114-V132 PolarHBondContact N-O 3.14Å; S116-V132 WeakPolarHBondContact O-CB 2.87Å; S116-V132 WeakPolarHBondContact O-CG2 3.3Å; S116-V132 PolarHBondContact O-N 2.86Å; V132-L137 HydrophobicContact CG1-CD2 3.68Å
133	T	95.9	Very high	95.9	Very high	41 Å²	41	63.8 Å²	63.8	25%	0.252	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-98.2	162.9	176.6	82.8	0	0	0	0	111.9	E135 Q136	T133-E135 VanDerWaalsContact CB-OE2 3.26Å; T133-E135 WeakPolarHBondContact CB-OE2 2.94Å; T133-E135 PolarHBondContact O-N 2.85Å; T133-E135 PolarHBondContact OG1-OE2 3.35Å; T133-Q136 WeakPolarHBondContact O-CB 3.33Å; T133-Q136 PolarHBondContact O-N 3.17Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.25Å
134	K	94.9	Very high	95.9	Very high	156 Å²	156	65.4 Å²	65.4	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.2	-178.2	-173.2	177.5	180	178.5	0	112.4	P113 Q136	P113-K134 HydrophobicContact CB-CB 4.48Å; P113-K134 HydrophobicContact CG-CB 3.99Å; K134-Q136 VanDerWaalsContact C-N 3.3Å; K134-Q136 PolarHBondContact O-N 2.89Å
135	E	94.8	Very high	96	Very high	124 Å²	124	59.7 Å²	59.7	58%	0.579	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.4	-176.7	-57.4	69.1	-143.9	0	0	112.5	T133 K139	T133-E135 VanDerWaalsContact CB-OE2 3.26Å; T133-E135 WeakPolarHBondContact CB-OE2 2.94Å; T133-E135 PolarHBondContact O-N 2.85Å; T133-E135 PolarHBondContact OG1-OE2 3.35Å; E135-K139 WeakPolarHBondContact O-CD 3.43Å; E135-K139 PolarHBondContact O-NZ 2.61Å
136	Q	95.6	Very high	96	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.075	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-23.7	-177.6	-64.7	170.9	-13.8	0	0	112.9	P107 T133 K134 G138 K139 T141	P107-Q136 HydrophobicContact CG-CB 4.05Å; P107-Q136 WeakPolarHBondContact CG-O 3.35Å; T133-Q136 WeakPolarHBondContact O-CB 3.33Å; T133-Q136 PolarHBondContact O-N 3.17Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.25Å; K134-Q136 VanDerWaalsContact C-N 3.3Å; K134-Q136 PolarHBondContact O-N 2.89Å; Q136-G138 PolarHBondContact O-N 2.95Å; Q136-K139 PolarHBondContact O-N 2.85Å; Q136-T141 HydrophobicContact CB-CG2 4.45Å; Q136-T141 WeakPolarHBondContact CB-OG1 3.44Å; Q136-T141 HydrophobicContact CG-CG2 3.76Å
137	L	96	Very high	95.9	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.188	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	120	-177.4	-66.4	-178.4	0	0	0	112	S108 L111 P113 V132 K139	S108-L137 WeakPolarHBondContact O-CD2 3.49Å; L111-L137 HydrophobicContact CB-CD2 3.83Å; L111-L137 WeakPolarHBondContact O-CD2 3.48Å; P113-L137 HydrophobicContact CG-CD1 4.08Å; V132-L137 HydrophobicContact CG1-CD2 3.68Å; L137-K139 PolarHBondContact O-N 2.56Å
138	G	96	Very high	95.7	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	7.2	-179.4	0	0	0	0	0	115.6	P107 Q136	P107-G138 WeakPolarHBondContact O-CA 3.23Å; P107-G138 PolarHBondContact O-N 3.38Å; Q136-G138 PolarHBondContact O-N 2.95Å
139	K	96.5	Very high	95.6	Very high	130 Å²	130	56.6 Å²	56.6	57%	0.565	30%	0.296	S	S	*	.	S	Bend	trans	-119.9	148.6	-178	-60.1	-175.1	-163.6	156.5	0	111.5	E135 Q136 L137 T141	E135-K139 WeakPolarHBondContact O-CD 3.43Å; E135-K139 PolarHBondContact O-NZ 2.61Å; Q136-K139 PolarHBondContact O-N 2.85Å; L137-K139 PolarHBondContact O-N 2.56Å; K139-T141 PolarHBondContact O-N 2.81Å; K139-T141 PolarHBondContact O-OG1 3.04Å
140	K	96.4	Very high	95.3	Very high	154 Å²	154	58.5 Å²	58.5	67%	0.67	30%	0.304	S	S	*	.			trans	-62.1	122.2	169.1	-70.9	-174.4	167.5	-135.8	0	109.6	E104	E104-K140 IonicContact OE1-NZ 3.31Å; E104-K140 PolarHBondContact OE1-NZ 3.13Å
141	T	96.6	Very high	95.1	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.1	-177.3	-59.8	0	0	0	0	109	E104 Y105 Q136 K139	E104-T141 WeakPolarHBondContact CA-O 3.39Å; Y105-T141 HydrophobicContact CE1-CG2 4.28Å; Y105-T141 HydrophobicContact CE2-CG2 4.29Å; Y105-T141 PolarHBondContact N-O 2.84Å; Y105-T141 WeakPolarHBondContact O-CB 3.28Å; Y105-T141 PolarHBondContact O-N 2.83Å; Q136-T141 HydrophobicContact CB-CG2 4.45Å; Q136-T141 WeakPolarHBondContact CB-OG1 3.44Å; Q136-T141 HydrophobicContact CG-CG2 3.76Å; K139-T141 PolarHBondContact O-N 2.81Å; K139-T141 PolarHBondContact O-OG1 3.04Å
142	L	96.7	Very high	94.9	Very high	111 Å²	111	59.4 Å²	59.4	58%	0.581	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	131.9	174.3	-63	176.1	0	0	0	109.5	L103 E104	L103-L142 CarbonylContact O-C 3.35Å; L103-L142 WeakPolarHBondContact O-CA 3.48Å; E104-L142 HydrophobicContact CB-CD2 3.74Å; E104-L142 HydrophobicContact CG-CD2 3.9Å
143	A	96	Very high	94.6	Very high	7 Å²	7	63 Å²	63	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	173.3	0	0	0	0	0	110.6	L103 Y105 L130	L103-A143 PolarHBondContact N-O 2.87Å; L103-A143 PolarHBondContact O-N 3.43Å; Y105-A143 HydrophobicContact CE1-CB 3.86Å; L130-A143 HydrophobicContact CD1-CB 3.84Å; L130-A143 HydrophobicContact CD2-CB 4.29Å
144	Q	95.6	Very high	94.2	Very high	84 Å²	84	64.1 Å²	64.1	39%	0.393	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.3	172.3	-67.1	-171.4	-24.3	0	0	109	M100 L101 N102	M100-Q144 HydrophobicContact SD-CB 4.04Å; L101-Q144 CarbonylContact O-C 2.98Å; L101-Q144 WeakPolarHBondContact O-CA 3.34Å; N102-Q144 WeakPolarHBondContact OD1-CG 3.29Å; N102-Q144 PolarHBondContact OD1-NE2 2.04Å
145	M	95	Very high	93.9	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.3	178.2	-176	177.2	-67.4	0	0	109.7	V40 M100 L101 V120 M127 L130 I147	V40-M145 HydrophobicContact CG2-CE 4.43Å; M100-M145 VanDerWaalsContact SD-O 3.41Å; L101-M145 HydrophobicContact CB-CB 4.42Å; L101-M145 PolarHBondContact N-O 2.89Å; L101-M145 PolarHBondContact O-N 3.33Å; V120-M145 HydrophobicContact CB-CE 4.01Å; V120-M145 HydrophobicContact CB-SD 3.51Å; V120-M145 VanDerWaalsContact CB-SD 3.51Å; V120-M145 HydrophobicContact CG1-SD 3.84Å; V120-M145 HydrophobicContact CG2-CE 3.61Å; V120-M145 HydrophobicContact CG2-SD 3.68Å; M127-M145 HydrophobicContact CB-SD 4.05Å; L130-M145 HydrophobicContact CD1-CE 4.04Å; L130-M145 HydrophobicContact CD2-CE 3.75Å; L130-M145 HydrophobicContact CG-CE 3.61Å; M145-I147 HydrophobicContact CG-CD1 4.46Å; M145-I147 PolarHBondContact O-N 3.02Å
146	P	95.4	Very high	93.8	Very high	74 Å²	74	56 Å²	56	48%	0.481	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.2	172.6	27.7	-32.7	0	0	0	109.1	M100	M100-P146 HydrophobicContact CE-CB 4.09Å; M100-P146 HydrophobicContact SD-CB 4.4Å
147	I	94	Very high	93.8	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.8	176	-59.1	-62	0	0	0	107	A99 L101 V120 L122 M127 M145 P149 L188	A99-I147 HydrophobicContact CB-CB 3.78Å; A99-I147 HydrophobicContact CB-CG2 4.18Å; A99-I147 PolarHBondContact O-N 3.49Å; L101-I147 HydrophobicContact CB-CD1 3.94Å; L101-I147 HydrophobicContact CB-CG1 3.8Å; L101-I147 HydrophobicContact CD2-CD1 4.43Å; V120-I147 HydrophobicContact CG1-CD1 4.32Å; L122-I147 HydrophobicContact CB-CG2 4.49Å; L122-I147 HydrophobicContact CD2-CG2 3.46Å; L122-I147 VanDerWaalsContact CD2-CG2 3.46Å; L122-I147 HydrophobicContact CG-CG2 4.47Å; M127-I147 HydrophobicContact CB-CD1 3.96Å; M127-I147 HydrophobicContact CG-CD1 3.86Å; M127-I147 HydrophobicContact SD-CG2 4.25Å; M145-I147 HydrophobicContact CG-CD1 4.46Å; M145-I147 PolarHBondContact O-N 3.02Å; I147-P149 VanDerWaalsContact O-CD 3.26Å; I147-P149 WeakPolarHBondContact O-CD 3.35Å; I147-L188 HydrophobicContact CG1-CD1 4.21Å
148	N	93	Very high	93.8	Very high	53 Å²	53	59.1 Å²	59.1	28%	0.283	30%	0.3	S	S	.	.			trans	-70	117.8	-179	-178.6	-7.7	0	0	0	109.7	M127 L150 F151	M127-N148 HydrophobicContact SD-CB 4.43Å; N148-L150 PolarHBondContact O-N 2.96Å; N148-L150 PolarHBondContact OD1-N 3.2Å; N148-F151 HydrophobicContact CB-CD2 3.94Å; N148-F151 HydrophobicContact CB-CE2 4.26Å; N148-F151 PolarHBondContact O-N 3.24Å
149	P	92	Very high	93.7	Very high	21 Å²	21	60 Å²	60	14%	0.136	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-63.5	-20.1	-177.4	-17.8	29.7	0	0	0	114.5	V96 I147 F151 I152	V96-P149 HydrophobicContact CG1-CB 4.35Å; V96-P149 WeakPolarHBondContact O-CB 3.34Å; I147-P149 VanDerWaalsContact O-CD 3.26Å; I147-P149 WeakPolarHBondContact O-CD 3.35Å; P149-F151 PolarHBondContact O-N 2.95Å; P149-I152 HydrophobicContact CB-CD1 4.43Å; P149-I152 VanDerWaalsContact O-CB 3.28Å; P149-I152 WeakPolarHBondContact O-CB 3.23Å; P149-I152 PolarHBondContact O-N 2.98Å
150	L	91.1	Very high	93.8	Very high	90 Å²	90	53.8 Å²	53.8	47%	0.471	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.9	-27.8	179.2	-71.8	-178	0	0	0	114	D48 N148 I152	D48-L150 HydrophobicContact CB-CD1 3.66Å; D48-L150 WeakPolarHBondContact O-CD1 3.21Å; D48-L150 WeakPolarHBondContact O-CD2 2.81Å; D48-L150 WeakPolarHBondContact O-CG 3.47Å; N148-L150 PolarHBondContact O-N 2.96Å; N148-L150 PolarHBondContact OD1-N 3.2Å; L150-I152 VanDerWaalsContact C-N 3.28Å
151	F	92.5	Very high	93.8	Very high	76 Å²	76	48.2 Å²	48.2	33%	0.333	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-87.1	-3	177.2	-62.1	-79.4	0	0	0	112.2	L122 N123 E125 M127 N148 P149 T153	L122-F151 HydrophobicContact CD2-CB 3.74Å; L122-F151 HydrophobicContact CG-CB 4.24Å; N123-F151 PolarHBondContact ND2-O 2.85Å; E125-F151 HydrophobicContact CB-CD1 4Å; E125-F151 HydrophobicContact CB-CE1 4.19Å; E125-F151 HydrophobicContact CB-CG 4.36Å; E125-F151 HydrophobicContact CG-CD1 3.91Å; E125-F151 HydrophobicContact CG-CD2 4.37Å; E125-F151 HydrophobicContact CG-CE1 3.65Å; E125-F151 HydrophobicContact CG-CE2 4.12Å; E125-F151 HydrophobicContact CG-CG 4.26Å; E125-F151 HydrophobicContact CG-CZ 3.75Å; M127-F151 HydrophobicContact CE-CD2 3.82Å; M127-F151 HydrophobicContact CE-CE2 4.21Å; M127-F151 HydrophobicContact CE-CG 4.24Å; N148-F151 HydrophobicContact CB-CD2 3.94Å; N148-F151 HydrophobicContact CB-CE2 4.26Å; N148-F151 PolarHBondContact O-N 3.24Å; P149-F151 PolarHBondContact O-N 2.95Å; F151-T153 PolarHBondContact O-N 2.93Å
152	I	92.7	Very high	93.8	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.082	24%	0.238	C	C	.	.			trans	-78.2	116.5	174.2	-61.1	179.7	0	0	0	107.9	F88 M90 V96 A99 L122 P149 L150 N156 L190	F88-I152 HydrophobicContact CE2-CG2 4.18Å; F88-I152 HydrophobicContact CZ-CD1 4.31Å; F88-I152 HydrophobicContact CZ-CG1 4.41Å; F88-I152 HydrophobicContact CZ-CG2 4.46Å; M90-I152 HydrophobicContact SD-CG2 4.27Å; V96-I152 HydrophobicContact CB-CD1 3.84Å; V96-I152 HydrophobicContact CB-CG2 4.32Å; V96-I152 HydrophobicContact CG1-CD1 3.61Å; V96-I152 HydrophobicContact CG2-CD1 4.16Å; V96-I152 HydrophobicContact CG2-CG2 4.06Å; A99-I152 HydrophobicContact CB-CD1 3.83Å; L122-I152 HydrophobicContact CD2-CG1 3.75Å; P149-I152 HydrophobicContact CB-CD1 4.43Å; P149-I152 VanDerWaalsContact O-CB 3.28Å; P149-I152 WeakPolarHBondContact O-CB 3.23Å; P149-I152 PolarHBondContact O-N 2.98Å; L150-I152 VanDerWaalsContact C-N 3.28Å; I152-N156 VanDerWaalsContact CA-OD1 3.26Å; I152-N156 WeakPolarHBondContact CA-OD1 3.18Å; I152-N156 WeakPolarHBondContact CG2-ND2 3.41Å; I152-L190 HydrophobicContact CD1-CD2 4.49Å
153	T	90.5	Very high	93.8	Very high	74 Å²	74	44.1 Å²	44.1	45%	0.454	22%	0.22	S	C	.	.			trans	-106.2	-164.5	174.9	73.9	0	0	0	0	109.7	F151 F155 N156	F151-T153 PolarHBondContact O-N 2.93Å; T153-F155 VanDerWaalsContact C-N 3.32Å; T153-F155 PolarHBondContact O-N 2.92Å; T153-F155 PolarHBondContact OG1-O 2.93Å; T153-N156 PolarHBondContact N-OD1 2.85Å; T153-N156 PolarHBondContact O-ND2 2.74Å; T153-N156 PolarHBondContact O-OD1 3.33Å
154	D	87	Confident	93.7	Very high	65 Å²	65	44.4 Å²	44.4	35%	0.348	22%	0.224	S	C	.	.	S	Bend	trans	-63.2	-35.8	177.5	-65.4	-23.6	0	0	0	113.5	M90 R212	M90-D154 PolarHBondContact N-O 3.09Å; D154-R212 VanDerWaalsContact CB-CZ 3.42Å; D154-R212 IonicContact OD1-NH1 2.79Å; D154-R212 PolarHBondContact OD1-NH1 3.14Å; D154-R212 IonicContact OD2-CZ 3.66Å; D154-R212 IonicContact OD2-NH1 3.81Å; D154-R212 PolarHBondContact OD2-NH1 2.83Å; D154-R212 IonicContact OD2-NH2 3.74Å; D154-R212 PolarHBondContact OD2-NH2 3.06Å
155	F	89.2	Confident	93.7	Very high	110 Å²	110	43.1 Å²	43.1	48%	0.482	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.7	178	177.8	-97	0	0	0	109.1	E87 T153	E87-F155 HydrophobicContact CB-CE2 4.21Å; E87-F155 HydrophobicContact CB-CZ 4.02Å; E87-F155 VanDerWaalsContact CD-CZ 3.46Å; E87-F155 HydrophobicContact CG-CZ 3.99Å; E87-F155 WeakPolarHBondContact OE2-CZ 3.45Å; T153-F155 VanDerWaalsContact C-N 3.32Å; T153-F155 PolarHBondContact O-N 2.92Å; T153-F155 PolarHBondContact OG1-O 2.93Å
156	N	92.6	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.6	-169.2	-58.3	-73.5	0	0	0	111.1	E87 F88 L122 N123 I152 T153	E87-N156 CarbonylContact C-O 3.53Å; E87-N156 VanDerWaalsContact CA-O 3.25Å; E87-N156 WeakPolarHBondContact CA-O 3.31Å; F88-N156 HydrophobicContact CD1-CB 3.8Å; F88-N156 HydrophobicContact CD2-CB 4.19Å; F88-N156 HydrophobicContact CE1-CB 3.38Å; F88-N156 HydrophobicContact CE2-CB 3.82Å; F88-N156 HydrophobicContact CG-CB 4.19Å; F88-N156 HydrophobicContact CZ-CB 3.4Å; F88-N156 PolarHBondContact N-O 3.25Å; F88-N156 WeakPolarHBondContact O-CB 3.32Å; F88-N156 PolarHBondContact O-N 3.29Å; F88-N156 PolarHBondContact O-ND2 2.84Å; L122-N156 HydrophobicContact CD1-CB 4.03Å; N123-N156 PolarHBondContact ND2-OD1 3.26Å; N123-N156 VanDerWaalsContact OD1-CA 3.29Å; N123-N156 WeakPolarHBondContact OD1-CA 3.29Å; I152-N156 VanDerWaalsContact CA-OD1 3.26Å; I152-N156 WeakPolarHBondContact CA-OD1 3.18Å; I152-N156 WeakPolarHBondContact CG2-ND2 3.41Å; T153-N156 PolarHBondContact N-OD1 2.85Å; T153-N156 PolarHBondContact O-ND2 2.74Å; T153-N156 PolarHBondContact O-OD1 3.33Å
157	R	94	Very high	93.2	Very high	117 Å²	117	45.3 Å²	45.3	44%	0.442	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.3	172.1	-174.9	177.4	-73	165.2	-3.4	109.2	I86 E87 L122 N123	I86-R157 WeakPolarHBondContact O-CA 3.28Å; E87-R157 HydrophobicContact CG-CB 4.42Å; E87-R157 HydrophobicContact CG-CG 4.24Å; E87-R157 IonicContact OE1-CZ 3.65Å; E87-R157 IonicContact OE1-NE 2.86Å; E87-R157 PolarHBondContact OE1-NE 2.89Å; E87-R157 IonicContact OE1-NH2 2.69Å; E87-R157 PolarHBondContact OE1-NH2 2.81Å; L122-R157 WeakPolarHBondContact CA-O 3.44Å; N123-R157 PolarHBondContact N-O 3.16Å; N123-R157 PolarHBondContact OD1-N 3.2Å
158	V	95.8	Very high	92.9	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.5	166.8	-173.8	0	0	0	0	107.4	S85 I86 F88 L101 V120 Y121 L122	S85-V158 CarbonylContact C-O 3.4Å; S85-V158 VanDerWaalsContact CA-O 3.22Å; S85-V158 WeakPolarHBondContact CA-O 3.17Å; I86-V158 HydrophobicContact CD1-CB 4.06Å; I86-V158 HydrophobicContact CD1-CG2 4.17Å; I86-V158 HydrophobicContact CG1-CB 3.64Å; I86-V158 HydrophobicContact CG1-CG2 4.16Å; I86-V158 PolarHBondContact N-O 3.38Å; I86-V158 PolarHBondContact O-N 3.41Å; F88-V158 HydrophobicContact CD1-CG2 4.35Å; F88-V158 HydrophobicContact CE1-CG2 3.78Å; L101-V158 HydrophobicContact CD2-CG1 4.22Å; V120-V158 HydrophobicContact CG1-CG1 3.96Å; Y121-V158 CarbonylContact O-C 3.51Å; Y121-V158 VanDerWaalsContact O-CA 3.24Å; Y121-V158 WeakPolarHBondContact O-CA 3.49Å; L122-V158 HydrophobicContact CD1-CG2 4.23Å
159	R	95.9	Very high	92.6	Very high	55 Å²	55	52.3 Å²	52.3	21%	0.208	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.6	178.8	179.9	171	66.8	89.4	2.7	109.6	N83 Y121 E161	N83-R159 PolarHBondContact OD1-NH1 2.86Å; Y121-R159 PolarHBondContact N-O 3.38Å; Y121-R159 PolarHBondContact O-N 3.06Å; R159-E161 IonicContact CZ-OE2 3.59Å; R159-E161 IonicContact NH1-OE2 2.84Å; R159-E161 PolarHBondContact NH1-OE2 3.09Å; R159-E161 IonicContact NH2-OE2 2.72Å
160	L	97.1	Very high	92.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128	168.2	-56.3	-175.7	0	0	0	108.2	F65 M75 L77 N83 G84 L101 L103 L118 K119 V120 V182	F65-L160 HydrophobicContact CE2-CD1 4.08Å; F65-L160 HydrophobicContact CZ-CD1 4.38Å; M75-L160 HydrophobicContact SD-CD1 3.95Å; L77-L160 HydrophobicContact CD1-CB 4Å; N83-L160 WeakPolarHBondContact CA-O 3.28Å; G84-L160 PolarHBondContact N-O 3.36Å; G84-L160 PolarHBondContact O-N 2.86Å; L101-L160 HydrophobicContact CD2-CD2 4.39Å; L103-L160 HydrophobicContact CD1-CD2 4.32Å; L103-L160 HydrophobicContact CD2-CD1 4.11Å; L103-L160 HydrophobicContact CD2-CD2 4.46Å; L118-L160 HydrophobicContact CD1-CB 4.09Å; K119-L160 WeakPolarHBondContact O-CA 3.46Å; V120-L160 HydrophobicContact CB-CD2 4.38Å; V120-L160 HydrophobicContact CG1-CD2 4.18Å; V120-L160 HydrophobicContact CG2-CD2 3.79Å; L160-V182 HydrophobicContact CD1-CG1 4.1Å; L160-V182 HydrophobicContact CD1-CG2 3.99Å
161	E	96.8	Very high	92	Very high	36 Å²	36	50.7 Å²	50.7	17%	0.168	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.5	177.2	-178.6	-172.4	130.4	0	0	109.2	P82 K119 Y121 R159	P82-E161 WeakPolarHBondContact O-CA 3.33Å; K119-E161 HydrophobicContact CB-CB 4.25Å; K119-E161 PolarHBondContact N-O 3.11Å; K119-E161 IonicContact NZ-OE1 3.68Å; K119-E161 PolarHBondContact NZ-OE1 3.2Å; K119-E161 PolarHBondContact O-N 2.66Å; Y121-E161 HydrophobicContact CD2-CB 4.5Å; Y121-E161 HydrophobicContact CE2-CB 4.13Å; Y121-E161 WeakPolarHBondContact CE2-OE2 3.37Å; R159-E161 IonicContact CZ-OE2 3.59Å; R159-E161 IonicContact NH1-OE2 2.84Å; R159-E161 PolarHBondContact NH1-OE2 3.09Å; R159-E161 IonicContact NH2-OE2 2.72Å
162	F	96.9	Very high	91.6	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.7	176.7	172.6	-128.6	0	0	0	110.7	L77 P82 L111 L178 L180	L77-F162 HydrophobicContact CB-CB 3.54Å; L77-F162 HydrophobicContact CB-CD1 4.22Å; L77-F162 HydrophobicContact CB-CG 4.12Å; L77-F162 HydrophobicContact CD1-CB 3.81Å; L77-F162 HydrophobicContact CG-CB 4.32Å; P82-F162 HydrophobicContact CB-CB 4.4Å; P82-F162 WeakPolarHBondContact CB-O 3.36Å; P82-F162 PolarHBondContact O-N 3.35Å; L111-F162 HydrophobicContact CD1-CE2 3.97Å; L111-F162 HydrophobicContact CD1-CZ 4.02Å; L111-F162 HydrophobicContact CD2-CE2 4.38Å; L111-F162 HydrophobicContact CD2-CZ 3.84Å; F162-L178 HydrophobicContact CE1-CB 4.38Å; F162-L180 HydrophobicContact CD2-CB 3.87Å; F162-L180 HydrophobicContact CD2-CD1 3.98Å; F162-L180 HydrophobicContact CE2-CB 3.98Å; F162-L180 HydrophobicContact CE2-CD1 4.28Å; F162-L180 HydrophobicContact CG-CB 4.2Å; F162-L180 HydrophobicContact CZ-CB 4.38Å
163	V	95.8	Very high	91.2	Very high	31 Å²	31	50.3 Å²	50.3	19%	0.188	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.1	166.6	-179.5	0	0	0	0	106.4	S116 Q117	S116-V163 CarbonylContact C-O 3.47Å; S116-V163 WeakPolarHBondContact CA-O 3.41Å; Q117-V163 HydrophobicContact CG-CB 3.73Å; Q117-V163 HydrophobicContact CG-CG1 4.33Å; Q117-V163 HydrophobicContact CG-CG2 4.24Å; Q117-V163 PolarHBondContact N-O 3.22Å; Q117-V163 PolarHBondContact O-N 3.04Å
164	G	94.5	Very high	91	Very high	14 Å²	14	48.9 Å²	48.9	14%	0.144	25%	0.249	C	C	.	.			trans	-114.5	134.8	-177.2	0	0	0	0	0	111.7	L178	G164-L178 VanDerWaalsContact C-CD2 3.44Å; G164-L178 VanDerWaalsContact O-CD2 3.32Å; G164-L178 WeakPolarHBondContact O-CD2 3.11Å
165	H	94.8	Very high	91.1	Very high	57 Å²	57	46.9 Å²	46.9	26%	0.264	24%	0.24	S	C	.	.			trans	-126.4	138	171.1	-62.5	-75.7	0	0	0	108.9	L111 L112 Q115 S116 E171	L111-H165 CarbonylContact C-O 3.58Å; L111-H165 VanDerWaalsContact CA-O 3.31Å; L111-H165 WeakPolarHBondContact CA-O 3.34Å; L112-H165 HydrophobicContact CB-CB 4.37Å; L112-H165 HydrophobicContact CD1-CB 4.24Å; L112-H165 PolarHBondContact N-O 3.2Å; Q115-H165 HydrophobicContact CB-CB 4.26Å; Q115-H165 PolarHBondContact O-CD2 2.89Å; S116-H165 PolarHBondContact OG-N 2.88Å; S116-H165 PolarHBondContact OG-O 3.33Å; S116-H165 VanDerWaalsContact OG-O 3.09Å; H165-E171 VanDerWaalsContact C-OE1 3.27Å; H165-E171 WeakPolarHBondContact CA-OE1 3.29Å; H165-E171 WeakPolarHBondContact CB-OE1 3.42Å; H165-E171 IonicContact CE1-OE2 3.95Å; H165-E171 IonicContact CG-OE2 2.78Å; H165-E171 IonicContact ND1-OE1 3.1Å; H165-E171 IonicContact ND1-OE2 3.61Å; H165-E171 PolarHBondContact ND1-OE2 2.85Å
166	Y	92.8	Very high	91.2	Very high	54 Å²	54	47.1 Å²	47.1	21%	0.212	25%	0.25	C	S	.	.	S	Bend	trans	-123	-13.4	178.1	77.3	-84.3	0	0	0	113.6	S110 E171 N172 L178	S110-Y166 WeakPolarHBondContact O-CA 3.3Å; S110-Y166 WeakPolarHBondContact O-CB 3.36Å; Y166-E171 HydrophobicContact CD1-CB 4.48Å; Y166-E171 HydrophobicContact CD1-CG 4.39Å; Y166-E171 HydrophobicContact CE1-CB 3.94Å; Y166-E171 HydrophobicContact CE1-CG 4.19Å; Y166-E171 PolarHBondContact N-OE1 3.15Å; Y166-N172 PolarHBondContact OH-N 3.14Å; Y166-L178 HydrophobicContact CD1-CD1 4.07Å; Y166-L178 HydrophobicContact CD1-CD2 3.88Å; Y166-L178 HydrophobicContact CD1-CG 3.84Å; Y166-L178 HydrophobicContact CE1-CD1 4.26Å; Y166-L178 HydrophobicContact CE1-CG 4.43Å
167	Q	89.1	Confident	91.3	Very high	69 Å²	69	48.9 Å²	48.9	32%	0.322	26%	0.261	S	S	.	.	S	Bend	trans	-151.7	152.5	172.3	59.2	-177.5	58.6	0	0	110.4	V169 C170 E171	Q167-V169 VanDerWaalsContact C-N 3.31Å; Q167-V169 PolarHBondContact NE2-O 2.87Å; Q167-V169 PolarHBondContact O-N 2.82Å; Q167-C170 PolarHBondContact NE2-O 3.39Å; Q167-E171 HydrophobicContact CG-CG 3.64Å; Q167-E171 PolarHBondContact N-OE1 3.42Å; Q167-E171 VanDerWaalsContact N-OE1 3.15Å; Q167-E171 VanDerWaalsContact O-CG 3.23Å; Q167-E171 WeakPolarHBondContact O-CG 3.4Å; Q167-E171 VanDerWaalsContact O-OE1 3.07Å
168	D	87	Confident	91.3	Very high	124 Å²	124	43.5 Å²	43.5	66%	0.663	24%	0.241	S	C	*	.	S	Bend	trans	-70.7	-23.7	-171.1	-63.8	-65.8	0	0	0	114.4	Q115	Q115-D168 PolarHBondContact NE2-OD1 2.75Å
169	V	86.1	Confident	91.4	Very high	82 Å²	82	46.9 Å²	46.9	50%	0.497	25%	0.254	S	S	.	.	S	Bend	trans	-139.8	141.6	-174.2	-174.5	0	0	0	0	109.8	Q167	Q167-V169 VanDerWaalsContact C-N 3.31Å; Q167-V169 PolarHBondContact NE2-O 2.87Å; Q167-V169 PolarHBondContact O-N 2.82Å
170	C	83.9	Confident	91.5	Very high	20 Å²	20	44.2 Å²	44.2	14%	0.135	24%	0.244	C	C	.	.	S	Bend	trans	61	52	172	-144	0	0	0	0	116.7	Q167 C488	Q167-C170 PolarHBondContact NE2-O 3.39Å; C170-C488 WeakPolarHBondContact CA-SG 2.96Å; C170-C488 HydrophobicContact CB-CB 3.68Å; C170-C488 WeakPolarHBondContact CB-SG 3.24Å; C170-C488 WeakPolarHBondContact SG-CA 3.47Å; C170-C488 WeakPolarHBondContact SG-CB 3.46Å; C170-C488 CovalentContact SG-SG 2.04Å; C170-C488 PolarHBondContact SG-SG 3.39Å
171	E	86	Confident	91.5	Very high	57 Å²	57	47.1 Å²	47.1	27%	0.266	26%	0.26	S	S	.	.			trans	-75.2	145.6	180	-59.9	-172.9	110.5	0	0	112.7	H165 Y166 Q167	H165-E171 VanDerWaalsContact C-OE1 3.27Å; H165-E171 WeakPolarHBondContact CA-OE1 3.29Å; H165-E171 WeakPolarHBondContact CB-OE1 3.42Å; H165-E171 IonicContact CE1-OE2 3.95Å; H165-E171 IonicContact CG-OE2 2.78Å; H165-E171 IonicContact ND1-OE1 3.1Å; H165-E171 IonicContact ND1-OE2 3.61Å; H165-E171 PolarHBondContact ND1-OE2 2.85Å; Y166-E171 HydrophobicContact CD1-CB 4.48Å; Y166-E171 HydrophobicContact CD1-CG 4.39Å; Y166-E171 HydrophobicContact CE1-CB 3.94Å; Y166-E171 HydrophobicContact CE1-CG 4.19Å; Y166-E171 PolarHBondContact N-OE1 3.15Å; Q167-E171 HydrophobicContact CG-CG 3.64Å; Q167-E171 PolarHBondContact N-OE1 3.42Å; Q167-E171 VanDerWaalsContact N-OE1 3.15Å; Q167-E171 VanDerWaalsContact O-CG 3.23Å; Q167-E171 WeakPolarHBondContact O-CG 3.4Å; Q167-E171 VanDerWaalsContact O-OE1 3.07Å
172	N	85.5	Confident	91.5	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	25%	0.252	S	S	.	.			trans	-97	114.5	165.8	-178.4	-3.3	0	0	0	108.8	Y166 A174 S175 L178	Y166-N172 PolarHBondContact OH-N 3.14Å; N172-A174 PolarHBondContact O-N 3.49Å; N172-A174 WeakPolarHBondContact OD1-CB 3.41Å; N172-A174 PolarHBondContact OD1-N 3.38Å; N172-S175 VanDerWaalsContact O-CB 3.23Å; N172-S175 WeakPolarHBondContact O-CB 3.23Å; N172-S175 PolarHBondContact O-N 3.26Å; N172-L178 WeakPolarHBondContact O-CD1 3.23Å
173	P	84.2	Confident	91.4	Very high	36 Å²	36	45.8 Å²	45.8	23%	0.234	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21	178.6	20.1	-26.2	0	0	0	113.4	G79 I80 S175 M480 F491	G79-P173 CarbonylContact C-O 3.53Å; G79-P173 VanDerWaalsContact CA-O 3.29Å; G79-P173 WeakPolarHBondContact CA-O 3.34Å; I80-P173 HydrophobicContact CG2-CB 4.48Å; I80-P173 PolarHBondContact N-O 2.96Å; P173-S175 VanDerWaalsContact C-N 3.3Å; P173-M480 HydrophobicContact CB-SD 4.43Å; P173-M480 HydrophobicContact CG-CE 4.29Å; P173-M480 HydrophobicContact CG-SD 3.7Å; P173-F491 HydrophobicContact CG-CZ 4.06Å
174	A	86.3	Confident	91.3	Very high	43 Å²	43	51 Å²	51	36%	0.355	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.2	172.5	0	0	0	0	0	114.3	I80 N172 T176 M480	I80-A174 HydrophobicContact CG2-CB 3.82Å; N172-A174 PolarHBondContact O-N 3.49Å; N172-A174 WeakPolarHBondContact OD1-CB 3.41Å; N172-A174 PolarHBondContact OD1-N 3.38Å; A174-T176 PolarHBondContact O-N 2.8Å; A174-M480 HydrophobicContact CB-SD 3.69Å
175	S	89.8	Confident	91.2	Very high	23 Å²	23	53.2 Å²	53.2	16%	0.161	29%	0.286	C	S	.	.			trans	-56.8	129.9	177	-177.5	0	0	0	0	111	N172 P173 T177 L178	N172-S175 VanDerWaalsContact O-CB 3.23Å; N172-S175 WeakPolarHBondContact O-CB 3.23Å; N172-S175 PolarHBondContact O-N 3.26Å; P173-S175 VanDerWaalsContact C-N 3.3Å; S175-T177 PolarHBondContact O-N 3.42Å; S175-T177 PolarHBondContact OG-N 3.41Å; S175-T177 PolarHBondContact OG-OG1 2.87Å; S175-L178 WeakPolarHBondContact O-CB 3.49Å; S175-L178 PolarHBondContact O-N 2.82Å
176	T	91.1	Very high	91.3	Very high	115 Å²	115	50.5 Å²	50.5	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.9	176.2	58.9	0	0	0	0	112.8	A174 W179	A174-T176 PolarHBondContact O-N 2.8Å; T176-W179 VanDerWaalsContact O-CD1 3.27Å
177	T	94	Very high	91.4	Very high	37 Å²	37	48 Å²	48	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.1	171.7	62.2	0	0	0	0	113	S108 S175 W179	S108-T177 WeakPolarHBondContact CB-O 3.45Å; S108-T177 PolarHBondContact OG-O 2.82Å; S175-T177 PolarHBondContact O-N 3.42Å; S175-T177 PolarHBondContact OG-N 3.41Å; S175-T177 PolarHBondContact OG-OG1 2.87Å; T177-W179 PolarHBondContact O-N 2.75Å
178	L	94.9	Very high	91.7	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	25%	0.249	C	C	.	.			trans	-87.3	86.6	-178.5	-70	173.1	0	0	0	110.6	R78 G79 L111 F162 G164 Y166 N172 S175	R78-L178 VanDerWaalsContact CA-O 3.32Å; R78-L178 WeakPolarHBondContact CA-O 3.07Å; G79-L178 PolarHBondContact N-O 3.46Å; L111-L178 HydrophobicContact CD2-CD2 3.93Å; F162-L178 HydrophobicContact CE1-CB 4.38Å; G164-L178 VanDerWaalsContact C-CD2 3.44Å; G164-L178 VanDerWaalsContact O-CD2 3.32Å; G164-L178 WeakPolarHBondContact O-CD2 3.11Å; Y166-L178 HydrophobicContact CD1-CD1 4.07Å; Y166-L178 HydrophobicContact CD1-CD2 3.88Å; Y166-L178 HydrophobicContact CD1-CG 3.84Å; Y166-L178 HydrophobicContact CE1-CD1 4.26Å; Y166-L178 HydrophobicContact CE1-CG 4.43Å; N172-L178 WeakPolarHBondContact O-CD1 3.23Å; S175-L178 WeakPolarHBondContact O-CB 3.49Å; S175-L178 PolarHBondContact O-N 2.82Å
179	W	96.8	Very high	92.2	Very high	71 Å²	71	41.6 Å²	41.6	27%	0.269	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.8	174.5	61.1	-90.6	0	0	0	113	V76 L77 T106 S108 T176 T177 D181	V76-W179 HydrophobicContact CG1-CB 4.32Å; L77-W179 CarbonylContact O-C 3.44Å; L77-W179 VanDerWaalsContact O-CA 3.23Å; L77-W179 WeakPolarHBondContact O-CA 3.34Å; T106-W179 HydrophobicContact CG2-CH2 4.15Å; T106-W179 HydrophobicContact CG2-CZ3 4.11Å; T106-W179 WeakPolarHBondContact O-CZ3 3.39Å; S108-W179 VanDerWaalsContact CB-O 3.28Å; S108-W179 WeakPolarHBondContact CB-O 3.41Å; S108-W179 PolarHBondContact N-O 2.89Å; S108-W179 PolarHBondContact OG-NE1 3.18Å; T176-W179 VanDerWaalsContact O-CD1 3.27Å; T177-W179 PolarHBondContact O-N 2.75Å; W179-D181 HydrophobicContact CE3-CB 4.25Å; W179-D181 HydrophobicContact CZ3-CB 4.18Å
180	L	97.6	Very high	92.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	116.8	168.7	-174.5	154	0	0	0	107.8	L77 Y105 L118 F162 V182	L77-L180 HydrophobicContact CB-CB 4.5Å; L77-L180 HydrophobicContact CD1-CD2 4.3Å; L77-L180 PolarHBondContact N-O 3.39Å; L77-L180 PolarHBondContact O-N 3.29Å; Y105-L180 HydrophobicContact CD2-CD1 3.97Å; Y105-L180 HydrophobicContact CD2-CD2 4.16Å; Y105-L180 HydrophobicContact CD2-CG 4.11Å; Y105-L180 HydrophobicContact CE2-CD1 4.41Å; Y105-L180 HydrophobicContact CG-CD2 4.22Å; L118-L180 HydrophobicContact CB-CD1 4.27Å; L118-L180 HydrophobicContact CD1-CD1 4.4Å; L118-L180 HydrophobicContact CD1-CD2 4.39Å; L118-L180 HydrophobicContact CD2-CD2 4.31Å; F162-L180 HydrophobicContact CD2-CB 3.87Å; F162-L180 HydrophobicContact CD2-CD1 3.98Å; F162-L180 HydrophobicContact CE2-CB 3.98Å; F162-L180 HydrophobicContact CE2-CD1 4.28Å; F162-L180 HydrophobicContact CG-CB 4.2Å; F162-L180 HydrophobicContact CZ-CB 4.38Å; L180-V182 HydrophobicContact CD2-CG2 3.51Å
181	D	96.8	Very high	93.1	Very high	62 Å²	62	37.9 Å²	37.9	33%	0.332	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.1	-179.2	-173.5	-10.1	0	0	0	109.6	Y105 T106 W179	Y105-D181 CarbonylContact C-O 3.47Å; Y105-D181 WeakPolarHBondContact CA-O 3.03Å; Y105-D181 WeakPolarHBondContact CB-O 3.18Å; T106-D181 PolarHBondContact N-O 3.4Å; T106-D181 PolarHBondContact O-N 3.45Å; W179-D181 HydrophobicContact CE3-CB 4.25Å; W179-D181 HydrophobicContact CZ3-CB 4.18Å
182	V	96.8	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.7	175.5	-174.9	0	0	0	0	109	F65 S74 M75 L77 L103 L160 L180	F65-V182 HydrophobicContact CD2-CG1 4Å; F65-V182 HydrophobicContact CE2-CG1 3.72Å; S74-V182 WeakPolarHBondContact CB-O 3.41Å; M75-V182 HydrophobicContact CG-CB 3.65Å; M75-V182 HydrophobicContact CG-CG1 4.31Å; M75-V182 HydrophobicContact CG-CG2 3.99Å; M75-V182 PolarHBondContact N-O 3.42Å; M75-V182 PolarHBondContact O-N 3.44Å; L77-V182 HydrophobicContact CD1-CG2 4.26Å; L77-V182 HydrophobicContact CG-CG2 4.4Å; L103-V182 HydrophobicContact CD2-CG1 4.41Å; L160-V182 HydrophobicContact CD1-CG1 4.1Å; L160-V182 HydrophobicContact CD1-CG2 3.99Å; L180-V182 HydrophobicContact CD2-CG2 3.51Å
183	G	94.9	Very high	93.7	Very high	13 Å²	13	34 Å²	34	13%	0.134	19%	0.189	C	C	.	.			trans	-72.1	153.3	-173.9	0	0	0	0	0	113.7	E104 S185 S186	E104-G183 PolarHBondContact O-N 3.12Å; G183-S185 PolarHBondContact O-N 3.39Å; G183-S186 VanDerWaalsContact O-CB 3.23Å; G183-S186 WeakPolarHBondContact O-CB 3.2Å; G183-S186 PolarHBondContact O-N 3.02Å; G183-S186 PolarHBondContact O-OG 3.19Å
184	R	93.8	Very high	94.1	Very high	140 Å²	140	33.6 Å²	33.6	53%	0.528	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	179.9	-54	-178.2	67.1	-161.6	-1.2	114.3	A66 P72 G73 S186	A66-R184 HydrophobicContact CB-CB 4.31Å; A66-R184 PolarHBondContact N-O 3.33Å; P72-R184 PolarHBondContact O-NE 3.47Å; P72-R184 VanDerWaalsContact O-NE 3.1Å; P72-R184 PolarHBondContact O-NH2 2.95Å; G73-R184 WeakPolarHBondContact O-CA 3.47Å; G73-R184 WeakPolarHBondContact O-CG 3.2Å; R184-S186 VanDerWaalsContact C-N 3.27Å
185	S	92.8	Very high	94.3	Very high	61 Å²	61	35 Å²	35	43%	0.427	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.1	176.5	47.6	0	0	0	0	113.3	E104 G183	E104-S185 WeakPolarHBondContact CB-OG 3.38Å; E104-S185 PolarHBondContact OE1-OG 3.39Å; E104-S185 PolarHBondContact OE2-OG 3.32Å; G183-S185 PolarHBondContact O-N 3.39Å
186	S	96.8	Very high	94.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.202	C	C	.	.			trans	-56.8	150.1	168	-56.8	0	0	0	0	110.2	T64 F65 N102 E104 G183 R184	T64-S186 CarbonylContact C-O 3.37Å; F65-S186 WeakPolarHBondContact CD1-O 3.44Å; F65-S186 PolarHBondContact N-O 2.88Å; N102-S186 CarbonylContact O-C 3.54Å; N102-S186 WeakPolarHBondContact O-CA 3.31Å; N102-S186 WeakPolarHBondContact O-CB 3.46Å; E104-S186 PolarHBondContact N-OG 3.28Å; E104-S186 PolarHBondContact O-OG 3.42Å; G183-S186 VanDerWaalsContact O-CB 3.23Å; G183-S186 WeakPolarHBondContact O-CB 3.2Å; G183-S186 PolarHBondContact O-N 3.02Å; G183-S186 PolarHBondContact O-OG 3.19Å; R184-S186 VanDerWaalsContact C-N 3.27Å
187	G	95.9	Very high	94.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	165.6	-177.9	0	0	0	0	0	113.7	L63 N102	L63-G187 CarbonylContact O-C 3.56Å; L63-G187 WeakPolarHBondContact O-CA 3.45Å; N102-G187 PolarHBondContact N-O 3.05Å; N102-G187 PolarHBondContact O-N 3.01Å
188	L	95.4	Very high	94.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.8	179.1	-170.2	66.2	0	0	0	108.6	L63 F88 M100 L101 I147 L190	L63-L188 HydrophobicContact CB-CB 4.45Å; L63-L188 PolarHBondContact N-O 3.23Å; L63-L188 PolarHBondContact O-N 2.94Å; F88-L188 HydrophobicContact CD1-CD2 3.69Å; F88-L188 HydrophobicContact CD2-CD2 4.32Å; F88-L188 HydrophobicContact CE1-CD2 3.41Å; F88-L188 VanDerWaalsContact CE1-CD2 3.41Å; F88-L188 HydrophobicContact CE2-CD2 4.09Å; F88-L188 HydrophobicContact CG-CD2 4.14Å; F88-L188 HydrophobicContact CZ-CD2 3.64Å; M100-L188 WeakPolarHBondContact O-CA 3.45Å; L101-L188 HydrophobicContact CB-CD1 4.21Å; L101-L188 HydrophobicContact CD1-CD1 4.38Å; I147-L188 HydrophobicContact CG1-CD1 4.21Å; L188-L190 HydrophobicContact CD1-CD2 4.27Å; L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 3.7Å; L188-L190 HydrophobicContact CD2-CG 3.91Å; L188-L190 HydrophobicContact CG-CD1 4.26Å; L188-L190 HydrophobicContact CG-CD2 3.64Å; L188-L190 HydrophobicContact CG-CG 3.79Å
189	D	96.6	Very high	94.4	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.9	170.9	-63.2	-22.4	0	0	0	108	K62 A99 M100 N102	K62-D189 WeakPolarHBondContact CD-OD1 3.31Å; K62-D189 VanDerWaalsContact CG-OD1 3.29Å; K62-D189 WeakPolarHBondContact CG-OD1 3.27Å; A99-D189 CarbonylContact C-O 3.44Å; A99-D189 WeakPolarHBondContact CA-O 3.49Å; M100-D189 HydrophobicContact CB-CB 4.35Å; M100-D189 PolarHBondContact N-O 3.31Å; M100-D189 PolarHBondContact O-N 2.71Å; N102-D189 PolarHBondContact ND2-OD2 3.23Å
190	L	94.6	Very high	94.4	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.9	-176.7	-62.5	175.8	0	0	0	110	D60 V61 L63 F88 V96 K98 A99 I152 L188 Y192	D60-L190 CarbonylContact C-O 3.49Å; D60-L190 WeakPolarHBondContact CA-O 3.48Å; V61-L190 PolarHBondContact N-O 3.4Å; V61-L190 PolarHBondContact O-N 3.15Å; L63-L190 HydrophobicContact CD1-CD1 3.8Å; L63-L190 HydrophobicContact CG-CD1 4.48Å; F88-L190 HydrophobicContact CD2-CD1 3.96Å; F88-L190 HydrophobicContact CE2-CD1 3.95Å; V96-L190 HydrophobicContact CG1-CD2 4.01Å; K98-L190 CarbonylContact O-C 3.31Å; K98-L190 WeakPolarHBondContact O-CA 3.41Å; A99-L190 HydrophobicContact CB-CD2 3.5Å; A99-L190 VanDerWaalsContact CB-CD2 3.5Å; I152-L190 HydrophobicContact CD1-CD2 4.49Å; L188-L190 HydrophobicContact CD1-CD2 4.27Å; L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 3.7Å; L188-L190 HydrophobicContact CD2-CG 3.91Å; L188-L190 HydrophobicContact CG-CD1 4.26Å; L188-L190 HydrophobicContact CG-CD2 3.64Å; L188-L190 HydrophobicContact CG-CG 3.79Å; L190-Y192 HydrophobicContact CB-CD2 4.19Å; L190-Y192 HydrophobicContact CB-CE2 3.74Å; L190-Y192 HydrophobicContact CD1-CE2 3.84Å; L190-Y192 WeakPolarHBondContact CD1-OH 3.35Å; L190-Y192 HydrophobicContact CG-CE2 4.45Å
191	T	94.8	Very high	94.3	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111	165.3	-54.9	0	0	0	0	107.9	D60 V96 T97 K98	D60-T191 WeakPolarHBondContact OD1-CB 3.41Å; D60-T191 WeakPolarHBondContact OD1-CG2 3.41Å; D60-T191 PolarHBondContact OD1-OG1 3.46Å; V96-T191 WeakPolarHBondContact CA-O 3.49Å; T97-T191 PolarHBondContact N-O 2.66Å; T97-T191 WeakPolarHBondContact OG1-CG2 3.27Å; T97-T191 PolarHBondContact OG1-O 3.33Å; K98-T191 PolarHBondContact O-N 2.75Å
192	Y	92	Very high	94.3	Very high	12 Å²	12	41.6 Å²	41.6	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	145.7	172.9	-67.1	-85.3	0	0	0	110	S58 R59 V61 M90 E94 V95 V96 L190	S58-Y192 CarbonylContact C-O 3.45Å; S58-Y192 WeakPolarHBondContact CA-O 3.45Å; S58-Y192 WeakPolarHBondContact CB-O 3.27Å; R59-Y192 PolarHBondContact N-O 2.68Å; R59-Y192 PolarHBondContact O-N 3.34Å; V61-Y192 HydrophobicContact CB-CD2 3.95Å; V61-Y192 HydrophobicContact CB-CE2 3.76Å; V61-Y192 HydrophobicContact CG1-CE2 4.18Å; V61-Y192 HydrophobicContact CG2-CD2 3.56Å; V61-Y192 HydrophobicContact CG2-CE2 3.76Å; M90-Y192 HydrophobicContact CG-CD1 4.47Å; M90-Y192 HydrophobicContact CG-CE1 4.05Å; E94-Y192 HydrophobicContact CB-CD1 4.21Å; V95-Y192 CarbonylContact O-C 3.56Å; V95-Y192 WeakPolarHBondContact O-CA 3.01Å; V96-Y192 HydrophobicContact CG2-CD1 3.68Å; V96-Y192 HydrophobicContact CG2-CE1 3.44Å; V96-Y192 VanDerWaalsContact CG2-CE1 3.44Å; L190-Y192 HydrophobicContact CB-CD2 4.19Å; L190-Y192 HydrophobicContact CB-CE2 3.74Å; L190-Y192 HydrophobicContact CD1-CE2 3.84Å; L190-Y192 WeakPolarHBondContact CD1-OH 3.35Å; L190-Y192 HydrophobicContact CG-CE2 4.45Å
193	Q	92	Very high	94.1	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.2	168.2	-177.5	175.6	35.5	0	0	109.7	A53 P57 E94 V95 T97	A53-Q193 PolarHBondContact O-NE2 3.35Å; P57-Q193 WeakPolarHBondContact O-CA 3.45Å; E94-Q193 CarbonylContact C-O 3.52Å; E94-Q193 VanDerWaalsContact CA-O 3.31Å; E94-Q193 WeakPolarHBondContact CA-O 3.32Å; V95-Q193 HydrophobicContact CG1-CB 4.05Å; V95-Q193 PolarHBondContact N-O 2.86Å; V95-Q193 PolarHBondContact O-N 3.23Å; T97-Q193 HydrophobicContact CG2-CB 3.68Å
194	T	92	Very high	94.2	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.5	176.5	-53.9	0	0	0	0	110.6	P57 Y299	P57-T194 PolarHBondContact O-N 3.31Å; T194-Y299 HydrophobicContact CG2-CD1 4.21Å; T194-Y299 WeakPolarHBondContact O-CD1 3.29Å; T194-Y299 WeakPolarHBondContact O-CE1 3.46Å
195	L	91.3	Very high	94.2	Very high	72 Å²	72	43 Å²	43	38%	0.377	23%	0.228	S	C	.	.			trans	-88.1	139.9	176.9	-59.8	177.1	0	0	0	110.3	D93 V95 V197	D93-L195 PolarHBondContact O-N 3.31Å; V95-L195 HydrophobicContact CB-CD2 4.38Å; V95-L195 HydrophobicContact CG1-CD2 3.95Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 HydrophobicContact CB-CG1 4.32Å; L195-V197 PolarHBondContact O-N 3.09Å
196	N	90.8	Very high	94.3	Very high	88 Å²	88	41.2 Å²	41.2	47%	0.471	22%	0.215	S	C	.	.			trans	-79	83.7	167.7	-176.4	8.7	0	0	0	109	P298 Y299 K301	N196-P298 PolarHBondContact OD1-O 3.26Å; N196-Y299 HydrophobicContact CB-CD1 3.96Å; N196-Y299 HydrophobicContact CB-CE1 3.79Å; N196-K301 PolarHBondContact OD1-NZ 3.44Å
197	V	91.5	Very high	94.2	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.218	22%	0.216	C	C	.	.			trans	-65.3	149.1	177.7	-59.2	0	0	0	0	110.6	D93 L195 P207 K301	D93-V197 HydrophobicContact CB-CG1 3.89Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 HydrophobicContact CB-CG1 4.32Å; L195-V197 PolarHBondContact O-N 3.09Å; V197-P207 HydrophobicContact CG2-CG 4.36Å; V197-K301 HydrophobicContact CG2-CD 4.38Å; V197-K301 HydrophobicContact CG2-CG 4.06Å; V197-K301 WeakPolarHBondContact O-CE 3.37Å; V197-K301 PolarHBondContact O-NZ 2.76Å
198	K	93.8	Very high	94.2	Very high	184 Å²	184	41.5 Å²	41.5	80%	0.8	22%	0.216	S	C	*	.			trans	-70	156.1	174	-68.4	-177	-179.9	178.4	0	110.1	D200	K198-D200 VanDerWaalsContact C-N 3.33Å; K198-D200 PolarHBondContact O-N 2.66Å
199	N	95.8	Very high	94.2	Very high	29 Å²	29	42.1 Å²	42.1	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	-72.6	93.1	168.4	-67.2	-13.2	0	0	0	107.9	M291 N293 E330	N199-M291 HydrophobicContact CB-CB 4.47Å; N199-M291 HydrophobicContact CB-CG 4.42Å; N199-M291 WeakPolarHBondContact CB-O 3.41Å; N199-N293 PolarHBondContact ND2-N 2.84Å; N199-N293 PolarHBondContact OD1-OD1 3.14Å; N199-E330 HydrophobicContact CB-CG 3.86Å; N199-E330 WeakPolarHBondContact O-CG 3.21Å
200	D	96	Very high	94	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	21%	0.205	S	C	.	.			trans	-149.4	116	-179.3	-172	-2.8	0	0	0	110.1	K198 S202 G329	K198-D200 VanDerWaalsContact C-N 3.33Å; K198-D200 PolarHBondContact O-N 2.66Å; D200-S202 PolarHBondContact O-N 3.45Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.18Å; D200-S202 PolarHBondContact OD1-N 3.23Å; D200-S202 PolarHBondContact OD1-OG 2.83Å; D200-S202 PolarHBondContact OD2-OG 2.93Å; D200-G329 WeakPolarHBondContact OD1-CA 3.47Å; D200-G329 PolarHBondContact OD1-N 3.13Å
201	L	96.9	Very high	93.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-74.9	-2.2	178.8	-63.1	164.7	0	0	0	112.9	H203 F204 I289 M291 L303 F327 G329 V332	L201-H203 PolarHBondContact O-N 3.48Å; L201-F204 HydrophobicContact CB-CB 4.47Å; L201-F204 HydrophobicContact CD2-CB 4.48Å; L201-F204 HydrophobicContact CD2-CD2 4.1Å; L201-F204 WeakPolarHBondContact O-CB 3.38Å; L201-F204 PolarHBondContact O-N 2.85Å; L201-I289 HydrophobicContact CD1-CG2 4.34Å; L201-M291 HydrophobicContact CD2-CB 4.02Å; L201-M291 HydrophobicContact CD2-CE 4.03Å; L201-M291 HydrophobicContact CG-CB 4.24Å; L201-L303 HydrophobicContact CD2-CD1 3.52Å; L201-F327 HydrophobicContact CB-CB 3.8Å; L201-F327 HydrophobicContact CB-CD2 4.4Å; L201-F327 HydrophobicContact CB-CG 4.5Å; L201-G329 WeakPolarHBondContact CB-O 3.45Å; L201-G329 PolarHBondContact N-O 3.03Å; L201-V332 HydrophobicContact CD1-CB 4.34Å; L201-V332 HydrophobicContact CD1-CG2 3.78Å
202	S	95.7	Very high	93.3	Very high	64 Å²	64	46.3 Å²	46.3	45%	0.448	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-61	-25.1	176.6	-54.4	0	0	0	0	113.5	D200 R328	D200-S202 PolarHBondContact O-N 3.45Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.18Å; D200-S202 PolarHBondContact OD1-N 3.23Å; D200-S202 PolarHBondContact OD1-OG 2.83Å; D200-S202 PolarHBondContact OD2-OG 2.93Å; S202-R328 WeakPolarHBondContact OG-CA 3.33Å
203	H	93	Very high	93	Very high	137 Å²	137	46.9 Å²	46.9	63%	0.634	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-101.4	8	175.9	-61.9	-67.1	0	0	0	113.2	L201 V206	L201-H203 PolarHBondContact O-N 3.48Å; H203-V206 HydrophobicContact CB-CB 4.42Å; H203-V206 WeakPolarHBondContact O-CB 3.49Å; H203-V206 PolarHBondContact O-N 2.99Å
204	F	95.8	Very high	92.7	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.083	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	131.8	-180	-178.2	-92.5	0	0	0	110.4	L201 F208 W241 F242 L303 I320 N324 F327	L201-F204 HydrophobicContact CB-CB 4.47Å; L201-F204 HydrophobicContact CD2-CB 4.48Å; L201-F204 HydrophobicContact CD2-CD2 4.1Å; L201-F204 WeakPolarHBondContact O-CB 3.38Å; L201-F204 PolarHBondContact O-N 2.85Å; F204-F208 HydrophobicContact CD2-CD2 4.25Å; F204-F208 HydrophobicContact CE2-CD2 4.14Å; F204-W241 HydrophobicContact CD1-CH2 4.1Å; F204-W241 AromaticContact CE1-CH2 3.23Å; F204-W241 HydrophobicContact CE1-CH2 3.23Å; F204-W241 AromaticContact CE1-CZ2 3.79Å; F204-W241 HydrophobicContact CE1-CZ2 3.79Å; F204-W241 AromaticContact CE1-CZ3 3.78Å; F204-W241 HydrophobicContact CE1-CZ3 3.78Å; F204-W241 AromaticContact CZ-CH2 3.72Å; F204-W241 HydrophobicContact CZ-CH2 3.72Å; F204-W241 AromaticContact CZ-CZ3 3.76Å; F204-W241 HydrophobicContact CZ-CZ3 3.76Å; F204-F242 HydrophobicContact CE2-CZ 4.39Å; F204-F242 HydrophobicContact CZ-CZ 4.2Å; F204-L303 HydrophobicContact CD2-CD1 4.32Å; F204-L303 HydrophobicContact CE2-CD1 4.14Å; F204-L303 HydrophobicContact CE2-CD2 3.66Å; F204-L303 HydrophobicContact CZ-CD2 4.24Å; F204-I320 HydrophobicContact CE1-CG2 4.07Å; F204-I320 HydrophobicContact CZ-CG2 3.82Å; F204-N324 HydrophobicContact CD1-CB 3.77Å; F204-N324 HydrophobicContact CE1-CB 3.82Å; F204-F327 HydrophobicContact CB-CD2 4.19Å; F204-F327 AromaticContact CD1-CD2 3.78Å; F204-F327 HydrophobicContact CD1-CD2 3.78Å; F204-F327 HydrophobicContact CD1-CE2 4.03Å; F204-F327 HydrophobicContact CE1-CD2 4.3Å; F204-F327 HydrophobicContact CE1-CE2 4.07Å; F204-F327 AromaticContact CG-CD2 3.9Å; F204-F327 HydrophobicContact CG-CD2 3.9Å; F204-F327 HydrophobicContact CG-CE2 4.39Å
205	P	95.8	Very high	92.4	Very high	25 Å²	25	55.1 Å²	55.1	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.9	6.2	17.8	32.3	-34	0	0	0	118.2	F208 F209 W241 F242	P205-F208 WeakPolarHBondContact O-CA 3.35Å; P205-F208 WeakPolarHBondContact O-CB 3.32Å; P205-F208 PolarHBondContact O-N 2.98Å; P205-F209 CarbonylContact C-O 3.59Å; P205-F209 HydrophobicContact CB-CB 4.07Å; P205-F209 HydrophobicContact CG-CB 4.2Å; P205-F209 HydrophobicContact CG-CD1 3.95Å; P205-F209 PolarHBondContact O-N 2.83Å; P205-W241 HydrophobicContact CB-CH2 3.77Å; P205-W241 HydrophobicContact CB-CZ3 3.97Å; P205-W241 HydrophobicContact CG-CH2 4.02Å; P205-W241 HydrophobicContact CG-CZ3 4.5Å; P205-F242 HydrophobicContact CB-CE1 4.1Å
206	V	94.3	Very high	92.3	Very high	24 Å²	24	55.3 Å²	55.3	15%	0.145	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	134.8	174.7	179.1	0	0	0	0	109.2	H203 F209	H203-V206 HydrophobicContact CB-CB 4.42Å; H203-V206 WeakPolarHBondContact O-CB 3.49Å; H203-V206 PolarHBondContact O-N 2.99Å; V206-F209 PolarHBondContact N-O 3.45Å
207	P	94.7	Very high	92.5	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.9	8.1	6.4	38.7	-36.2	0	0	0	115.3	R91 D93 V197 N264 K301	R91-P207 PolarHBondContact NH2-O 2.77Å; D93-P207 HydrophobicContact CB-CB 4.07Å; D93-P207 VanDerWaalsContact OD2-CB 3.22Å; D93-P207 WeakPolarHBondContact OD2-CB 3.37Å; V197-P207 HydrophobicContact CG2-CG 4.36Å; P207-N264 PolarHBondContact O-ND2 2.93Å; P207-K301 HydrophobicContact CG-CB 3.91Å; P207-K301 HydrophobicContact CG-CG 3.71Å
208	F	95.9	Very high	92.7	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.9	-179	-52	-74.4	0	0	0	112.7	F204 P205 L219 F242 N264 A265 I266 M291 K301 L303	F204-F208 HydrophobicContact CD2-CD2 4.25Å; F204-F208 HydrophobicContact CE2-CD2 4.14Å; P205-F208 WeakPolarHBondContact O-CA 3.35Å; P205-F208 WeakPolarHBondContact O-CB 3.32Å; P205-F208 PolarHBondContact O-N 2.98Å; F208-L219 HydrophobicContact CB-CD1 4.12Å; F208-L219 HydrophobicContact CB-CD2 4.44Å; F208-L219 HydrophobicContact CD1-CD1 4.15Å; F208-F242 HydrophobicContact CB-CE1 3.87Å; F208-F242 HydrophobicContact CB-CZ 3.86Å; F208-N264 HydrophobicContact CD1-CB 4.16Å; F208-N264 HydrophobicContact CE1-CB 4.45Å; F208-A265 WeakPolarHBondContact CE1-O 3.1Å; F208-I266 HydrophobicContact CB-CD1 4.44Å; F208-I266 HydrophobicContact CD1-CD1 3.91Å; F208-I266 HydrophobicContact CE1-CD1 4.45Å; F208-I266 HydrophobicContact CG-CD1 4.14Å; F208-M291 HydrophobicContact CE2-CE 3.71Å; F208-M291 HydrophobicContact CZ-CE 4.39Å; F208-M291 HydrophobicContact CZ-CG 4.32Å; F208-K301 HydrophobicContact CE1-CB 4.22Å; F208-K301 WeakPolarHBondContact CE1-O 3.41Å; F208-K301 HydrophobicContact CZ-CB 3.96Å; F208-L303 HydrophobicContact CD1-CB 4.24Å; F208-L303 HydrophobicContact CD2-CB 4.28Å; F208-L303 HydrophobicContact CD2-CD1 4.49Å; F208-L303 HydrophobicContact CE1-CB 3.69Å; F208-L303 VanDerWaalsContact CE1-N 3.28Å; F208-L303 HydrophobicContact CE2-CB 3.72Å; F208-L303 HydrophobicContact CE2-CD1 3.79Å; F208-L303 HydrophobicContact CE2-CG 4.27Å; F208-L303 HydrophobicContact CZ-CB 3.42Å; F208-L303 VanDerWaalsContact CZ-CB 3.42Å; F208-L303 HydrophobicContact CZ-CD1 4.2Å; F208-L303 HydrophobicContact CZ-CG 4.4Å; F208-L303 VanDerWaalsContact CZ-N 3.28Å
209	F	95.1	Very high	92.9	Very high	13 Å²	13	44 Å²	44	6%	0.057	23%	0.229	C	C	.	.			trans	-143.4	133	169.7	173.1	-92.7	0	0	0	109.6	P205 V206 P211 N217 F242 R245	P205-F209 CarbonylContact C-O 3.59Å; P205-F209 HydrophobicContact CB-CB 4.07Å; P205-F209 HydrophobicContact CG-CB 4.2Å; P205-F209 HydrophobicContact CG-CD1 3.95Å; P205-F209 PolarHBondContact O-N 2.83Å; V206-F209 PolarHBondContact N-O 3.45Å; F209-P211 HydrophobicContact CE1-CB 4.04Å; F209-P211 HydrophobicContact CZ-CB 4.47Å; F209-N217 HydrophobicContact CD2-CB 4.45Å; F209-F242 HydrophobicContact CB-CD1 3.76Å; F209-F242 HydrophobicContact CB-CE1 3.74Å; F209-R245 HydrophobicContact CD1-CB 4.03Å; F209-R245 HydrophobicContact CE1-CB 3.62Å; F209-R245 HydrophobicContact CE1-CG 4.39Å; F209-R245 HydrophobicContact CE2-CB 4.22Å; F209-R245 HydrophobicContact CZ-CB 3.73Å; F209-R245 WeakPolarHBondContact CZ-O 3.35Å
210	D	92.9	Very high	93	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.223	C	C	.	.			trans	-123.2	119.8	174.2	-169.7	-35.1	0	0	0	108.8	R91 S92 R212 D213	R91-D210 VanDerWaalsContact CA-OD2 3.28Å; R91-D210 WeakPolarHBondContact CA-OD2 3.35Å; S92-D210 PolarHBondContact N-OD2 3.27Å; D210-R212 PolarHBondContact O-N 2.86Å; D210-R212 VanDerWaalsContact OD1-CB 3.23Å; D210-R212 WeakPolarHBondContact OD1-CB 3.44Å; D210-R212 WeakPolarHBondContact OD1-CG 3.16Å; D210-R212 PolarHBondContact OD1-N 2.99Å; D210-D213 HydrophobicContact CB-CB 4.39Å; D210-D213 PolarHBondContact O-N 2.97Å; D210-D213 VanDerWaalsContact O-N 3.11Å
211	P	88.4	Confident	93.1	Very high	77 Å²	77	40.4 Å²	40.4	50%	0.5	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.2	179.2	27.1	-35.4	0	0	0	114.1	F209 R249	F209-P211 HydrophobicContact CE1-CB 4.04Å; F209-P211 HydrophobicContact CZ-CB 4.47Å; P211-R249 PolarHBondContact O-NH2 3.18Å
212	R	85.7	Confident	93.2	Very high	89 Å²	89	40.3 Å²	40.3	34%	0.336	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.7	178.5	-58	157.8	-179.9	-175.2	-12	112.9	S92 D154 D210 N214	S92-R212 PolarHBondContact OG-NH1 3.48Å; D154-R212 VanDerWaalsContact CB-CZ 3.42Å; D154-R212 IonicContact OD1-NH1 2.79Å; D154-R212 PolarHBondContact OD1-NH1 3.14Å; D154-R212 IonicContact OD2-CZ 3.66Å; D154-R212 IonicContact OD2-NH1 3.81Å; D154-R212 PolarHBondContact OD2-NH1 2.83Å; D154-R212 IonicContact OD2-NH2 3.74Å; D154-R212 PolarHBondContact OD2-NH2 3.06Å; D210-R212 PolarHBondContact O-N 2.86Å; D210-R212 VanDerWaalsContact OD1-CB 3.23Å; D210-R212 WeakPolarHBondContact OD1-CB 3.44Å; D210-R212 WeakPolarHBondContact OD1-CG 3.16Å; D210-R212 PolarHBondContact OD1-N 2.99Å; R212-N214 PolarHBondContact O-N 3.36Å
213	D	86.8	Confident	93.3	Very high	25 Å²	25	37.3 Å²	37.3	13%	0.134	19%	0.189	C	C	.	.			trans	-81.1	115.7	175.5	-166.3	-13.4	0	0	0	109.9	R91 D210 R215 R249	R91-D213 WeakPolarHBondContact CD-OD2 3.31Å; R91-D213 HydrophobicContact CG-CB 4Å; R91-D213 IonicContact CZ-OD2 2.78Å; R91-D213 IonicContact NE-OD2 3.21Å; R91-D213 IonicContact NH1-OD2 3.53Å; R91-D213 PolarHBondContact NH1-OD2 3.29Å; D210-D213 HydrophobicContact CB-CB 4.39Å; D210-D213 PolarHBondContact O-N 2.97Å; D210-D213 VanDerWaalsContact O-N 3.11Å; D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.31Å; D213-R215 WeakPolarHBondContact OD1-CB 3.38Å; D213-R215 WeakPolarHBondContact OD1-CG 3.4Å; D213-R215 IonicContact OD1-CZ 3.57Å; D213-R215 PolarHBondContact OD1-N 3.34Å; D213-R215 VanDerWaalsContact OD1-N 3.15Å; D213-R215 IonicContact OD1-NE 2.73Å; D213-R215 PolarHBondContact OD1-NE 3.21Å; D213-R215 IonicContact OD1-NH2 3.4Å; D213-R215 IonicContact OD2-CZ 3.45Å; D213-R215 IonicContact OD2-NE 3.25Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.98Å; D213-R215 PolarHBondContact OD2-NH2 2.92Å; D213-R249 WeakPolarHBondContact O-CD 3.24Å; D213-R249 PolarHBondContact O-NE 2.91Å
214	N	83.8	Confident	93.5	Very high	87 Å²	87	32.3 Å²	32.3	47%	0.465	17%	0.171	S	C	.	.			trans	-85.5	1.4	-178.2	-73.4	-16.4	0	0	0	114.2	R212 W248 R249	R212-N214 PolarHBondContact O-N 3.36Å; N214-W248 HydrophobicContact CB-CH2 3.98Å; N214-W248 HydrophobicContact CB-CZ2 4.45Å; N214-R249 PolarHBondContact OD1-NH2 3.28Å
215	R	86	Confident	93.5	Very high	125 Å²	125	32.7 Å²	32.7	47%	0.472	18%	0.181	S	C	.	.	S	Bend	trans	-78.3	161.1	177	-60.5	176.4	-63.9	170.8	2.3	111.1	D213 N217	D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.31Å; D213-R215 WeakPolarHBondContact OD1-CB 3.38Å; D213-R215 WeakPolarHBondContact OD1-CG 3.4Å; D213-R215 IonicContact OD1-CZ 3.57Å; D213-R215 PolarHBondContact OD1-N 3.34Å; D213-R215 VanDerWaalsContact OD1-N 3.15Å; D213-R215 IonicContact OD1-NE 2.73Å; D213-R215 PolarHBondContact OD1-NE 3.21Å; D213-R215 IonicContact OD1-NH2 3.4Å; D213-R215 IonicContact OD2-CZ 3.45Å; D213-R215 IonicContact OD2-NE 3.25Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.98Å; D213-R215 PolarHBondContact OD2-NH2 2.92Å; R215-N217 PolarHBondContact O-N 2.87Å
216	T	90.6	Very high	93.6	Very high	77 Å²	77	33.9 Å²	33.9	47%	0.472	19%	0.193	S	C	.	.			trans	-55.1	130.6	167.6	-55.6	0	0	0	0	110.3	T218 R249	T216-T218 PolarHBondContact O-N 3.4Å; T216-T218 VanDerWaalsContact O-N 3.08Å; T216-R249 VanDerWaalsContact CA-O 3.3Å; T216-R249 WeakPolarHBondContact CA-O 3.44Å; T216-R249 PolarHBondContact OG1-O 3.03Å
217	N	93.7	Very high	93.7	Very high	16 Å²	16	33 Å²	33	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	97.6	-179.9	176.8	24.6	0	0	0	110.1	F209 R215 S246 G250 Q251 N252	F209-N217 HydrophobicContact CD2-CB 4.45Å; R215-N217 PolarHBondContact O-N 2.87Å; N217-S246 WeakPolarHBondContact CB-OG 3.37Å; N217-S246 PolarHBondContact ND2-OG 3.32Å; N217-S246 VanDerWaalsContact ND2-OG 3.13Å; N217-G250 PolarHBondContact N-O 2.58Å; N217-G250 VanDerWaalsContact N-O 3.09Å; N217-Q251 HydrophobicContact CB-CB 4.43Å; N217-Q251 CarbonylContact O-C 3.52Å; N217-Q251 WeakPolarHBondContact O-CA 3.18Å; N217-N252 PolarHBondContact O-N 2.89Å
218	T	96.1	Very high	93.7	Very high	52 Å²	52	36 Å²	36	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	105.3	175.2	-58.2	0	0	0	0	110.2	T216 N252 P254	T216-T218 PolarHBondContact O-N 3.4Å; T216-T218 VanDerWaalsContact O-N 3.08Å; T218-N252 CarbonylContact C-O 3.5Å; T218-N252 VanDerWaalsContact CA-O 3.29Å; T218-N252 WeakPolarHBondContact CA-O 3.16Å; T218-N252 HydrophobicContact CG2-CB 4.45Å; T218-P254 HydrophobicContact CG2-CG 3.87Å
219	L	97.6	Very high	93.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.212	C	C	.	.			trans	-128.3	97.8	-173.5	179.7	64.3	0	0	0	110.3	F208 F242 N252 F253 N264 I266	F208-L219 HydrophobicContact CB-CD1 4.12Å; F208-L219 HydrophobicContact CB-CD2 4.44Å; F208-L219 HydrophobicContact CD1-CD1 4.15Å; L219-F242 HydrophobicContact CD2-CD1 3.8Å; L219-F242 HydrophobicContact CD2-CD2 3.69Å; L219-F242 HydrophobicContact CD2-CE1 3.77Å; L219-F242 HydrophobicContact CD2-CE2 3.69Å; L219-F242 HydrophobicContact CD2-CG 3.76Å; L219-F242 HydrophobicContact CD2-CZ 3.73Å; L219-N252 PolarHBondContact N-O 2.87Å; L219-F253 HydrophobicContact CB-CD1 4.06Å; L219-F253 HydrophobicContact CB-CE1 4.21Å; L219-F253 HydrophobicContact CD2-CE1 4.39Å; L219-F253 WeakPolarHBondContact O-CA 3.3Å; L219-N264 WeakPolarHBondContact CD1-O 3.36Å; L219-I266 HydrophobicContact CD1-CD1 4.19Å; L219-I266 HydrophobicContact CD1-CG1 4.16Å; L219-I266 HydrophobicContact CD2-CD1 3.99Å; L219-I266 HydrophobicContact CD2-CG1 3.75Å; L219-I266 HydrophobicContact CG-CD1 4.37Å; L219-I266 HydrophobicContact CG-CG1 3.92Å
220	P	98.4	Very high	93.7	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.019	22%	0.22	C	C	.	.			trans	-59	141.7	179.4	-25.4	35.2	0	0	0	112.8	P254 L256 P261 R263 N264 A265 I266	P220-P254 CarbonylContact C-O 3.57Å; P220-P254 WeakPolarHBondContact CA-O 3.32Å; P220-L256 HydrophobicContact CB-CD1 4.21Å; P220-P261 HydrophobicContact CB-CB 4.45Å; P220-R263 HydrophobicContact CG-CG 3.76Å; P220-N264 WeakPolarHBondContact CD-O 3.28Å; P220-A265 HydrophobicContact CB-CB 4.08Å; P220-A265 WeakPolarHBondContact O-CA 3.23Å; P220-A265 WeakPolarHBondContact O-CB 3.32Å; P220-I266 PolarHBondContact O-N 2.9Å
221	M	98.6	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.2	173.2	-62.8	-156.4	-175.8	0	0	109.9	F223 V238 A239 F253 P254 V255 L256 I266 F268 L556	M221-F223 HydrophobicContact CB-CE2 4.03Å; M221-F223 HydrophobicContact CB-CZ 4.25Å; M221-V238 HydrophobicContact CE-CG1 4.2Å; M221-A239 HydrophobicContact CE-CB 3.64Å; M221-A239 HydrophobicContact SD-CB 4.4Å; M221-F253 HydrophobicContact CE-CB 4.34Å; M221-F253 HydrophobicContact CE-CD1 3.62Å; M221-F253 HydrophobicContact CE-CE1 4.08Å; M221-F253 HydrophobicContact CE-CG 4Å; M221-F253 HydrophobicContact CG-CB 4.47Å; M221-P254 PolarHBondContact N-O 3.41Å; M221-V255 WeakPolarHBondContact O-CA 3.46Å; M221-L256 PolarHBondContact O-N 2.83Å; M221-I266 CarbonylContact C-O 3.54Å; M221-I266 WeakPolarHBondContact CA-O 3.21Å; M221-I266 HydrophobicContact CG-CB 4.39Å; M221-F268 HydrophobicContact CB-CE2 4.2Å; M221-F268 HydrophobicContact CG-CE2 4.28Å; M221-F268 HydrophobicContact SD-CE2 3.77Å; M221-F268 HydrophobicContact SD-CZ 4.14Å; M221-L556 HydrophobicContact CB-CD1 3.99Å; M221-L556 HydrophobicContact CG-CD1 4.06Å; M221-L556 HydrophobicContact SD-CD1 3.63Å; M221-L556 HydrophobicContact SD-CD2 4.04Å; M221-L556 HydrophobicContact SD-CG 4.38Å
222	V	98.6	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.3	-172.7	-170.4	0	0	0	0	110.2	L256 Q259 P261 A265 I266 V267 F268 P275 F277	V222-L256 WeakPolarHBondContact CA-O 3.31Å; V222-L256 HydrophobicContact CG1-CB 4.41Å; V222-L256 HydrophobicContact CG2-CB 4.24Å; V222-L256 HydrophobicContact CG2-CD1 4.29Å; V222-Q259 WeakPolarHBondContact CG1-O 3.37Å; V222-P261 HydrophobicContact CG2-CB 4.19Å; V222-P261 HydrophobicContact CG2-CG 3.96Å; V222-A265 HydrophobicContact CG2-CB 4.32Å; V222-I266 PolarHBondContact N-O 2.96Å; V222-V267 HydrophobicContact CB-CB 4.42Å; V222-V267 HydrophobicContact CB-CG1 4.28Å; V222-V267 HydrophobicContact CB-CG2 4.07Å; V222-V267 HydrophobicContact CG2-CG2 4.21Å; V222-F268 PolarHBondContact O-N 2.84Å; V222-P275 HydrophobicContact CG1-CG 4.07Å; V222-F277 HydrophobicContact CG1-CE1 4.13Å; V222-F277 HydrophobicContact CG1-CZ 4.11Å
223	F	98.3	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.1	175.6	-53.4	-86.9	0	0	0	110.1	M221 G225 P227 L231 V255 L256 Y257 N258 F268 M552	M221-F223 HydrophobicContact CB-CE2 4.03Å; M221-F223 HydrophobicContact CB-CZ 4.25Å; F223-G225 VanDerWaalsContact CB-O 3.31Å; F223-G225 WeakPolarHBondContact CB-O 3.47Å; F223-G225 PolarHBondContact O-N 3.22Å; F223-P227 HydrophobicContact CD1-CB 4.06Å; F223-P227 HydrophobicContact CD1-CG 4.41Å; F223-P227 HydrophobicContact CE1-CB 4.33Å; F223-P227 HydrophobicContact CG-CB 4.48Å; F223-L231 HydrophobicContact CD1-CD1 4.19Å; F223-L231 HydrophobicContact CD1-CD2 3.91Å; F223-L231 HydrophobicContact CD1-CG 3.92Å; F223-L231 HydrophobicContact CE1-CD1 4.11Å; F223-L231 HydrophobicContact CE1-CG 4.03Å; F223-V255 HydrophobicContact CD2-CG1 3.81Å; F223-V255 HydrophobicContact CE2-CG1 3.84Å; F223-V255 HydrophobicContact CE2-CG2 4.34Å; F223-L256 PolarHBondContact N-O 2.99Å; F223-Y257 HydrophobicContact CB-CD1 4.05Å; F223-Y257 HydrophobicContact CB-CE1 4.28Å; F223-Y257 HydrophobicContact CD2-CD1 4.25Å; F223-Y257 AromaticContact CD2-CE1 3.99Å; F223-Y257 HydrophobicContact CD2-CE1 3.99Å; F223-Y257 HydrophobicContact CG-CE1 4.46Å; F223-N258 PolarHBondContact O-N 2.83Å; F223-F268 HydrophobicContact CD1-CB 4.02Å; F223-F268 HydrophobicContact CD1-CD2 4.12Å; F223-F268 HydrophobicContact CD1-CG 4.35Å; F223-F268 HydrophobicContact CE1-CB 4.1Å; F223-F268 AromaticContact CE1-CD2 3.54Å; F223-F268 HydrophobicContact CE1-CD2 3.54Å; F223-F268 HydrophobicContact CE1-CE2 4.2Å; F223-F268 AromaticContact CE1-CG 3.94Å; F223-F268 HydrophobicContact CE1-CG 3.94Å; F223-F268 AromaticContact CZ-CD2 3.95Å; F223-F268 HydrophobicContact CZ-CD2 3.95Å; F223-F268 HydrophobicContact CZ-CE2 4.24Å; F223-M552 HydrophobicContact CE2-CG 4.17Å; F223-M552 HydrophobicContact CZ-CE 4.22Å
224	A	96.8	Very high	95.4	Very high	33 Å²	33	31.1 Å²	31.1	27%	0.273	19%	0.185	S	C	.	.	S	Bend	trans	-67.2	-20.9	174	0	0	0	0	0	113.3	K273 R274	A224-K273 HydrophobicContact CB-CB 4.34Å; A224-R274 VanDerWaalsContact CB-C 3.45Å
225	G	96.2	Very high	96.1	Very high	27 Å²	27	27 Å²	27	28%	0.278	16%	0.163	S	C	.	.	S	Bend	trans	175.9	-162.5	-177	0	0	0	0	0	108.8	F223 P227 Y257	F223-G225 VanDerWaalsContact CB-O 3.31Å; F223-G225 WeakPolarHBondContact CB-O 3.47Å; F223-G225 PolarHBondContact O-N 3.22Å; G225-P227 WeakPolarHBondContact O-CD 3.35Å; G225-P227 VanDerWaalsContact O-N 3.17Å; G225-Y257 WeakPolarHBondContact O-CD1 3.43Å; G225-Y257 WeakPolarHBondContact O-CE1 3.45Å
226	A	96.5	Very high	96.6	Very high	50 Å²	50	21 Å²	21	41%	0.413	14%	0.14	S	C	.	.	S	Bend	trans	-57.4	119.4	175.2	0	0	0	0	0	110.5	Y257	A226-Y257 HydrophobicContact CB-CE2 4.32Å
227	P	96.3	Very high	97	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.026	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-75.1	142.2	-174.3	28.7	-34.7	0	0	0	112	F223 G225 L231 Q232 Y257 P547 M552	F223-P227 HydrophobicContact CD1-CB 4.06Å; F223-P227 HydrophobicContact CD1-CG 4.41Å; F223-P227 HydrophobicContact CE1-CB 4.33Å; F223-P227 HydrophobicContact CG-CB 4.48Å; G225-P227 WeakPolarHBondContact O-CD 3.35Å; G225-P227 VanDerWaalsContact O-N 3.17Å; P227-L231 HydrophobicContact CB-CB 3.93Å; P227-L231 HydrophobicContact CB-CD2 3.69Å; P227-L231 HydrophobicContact CB-CG 3.6Å; P227-Q232 HydrophobicContact CB-CG 4.07Å; P227-Q232 HydrophobicContact CG-CG 3.82Å; P227-Q232 PolarHBondContact O-NE2 3.4Å; P227-Y257 WeakPolarHBondContact CD-OH 3.34Å; P227-P547 HydrophobicContact CG-CG 4.4Å; P227-M552 HydrophobicContact CG-CG 4.28Å; P227-M552 HydrophobicContact CG-SD 3.72Å
228	D	94.3	Very high	97.2	Very high	67 Å²	67	16.7 Å²	16.7	36%	0.358	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-72.8	168.3	169.8	-58.8	-61.1	0	0	0	111.6	G230 L231 Q232 K273	D228-G230 VanDerWaalsContact C-N 3.3Å; D228-G230 PolarHBondContact O-N 2.85Å; D228-L231 WeakPolarHBondContact O-CB 3.49Å; D228-L231 PolarHBondContact O-N 2.85Å; D228-Q232 WeakPolarHBondContact O-CG 3.4Å; D228-Q232 PolarHBondContact O-N 3.34Å; D228-K273 IonicContact OD2-NZ 2.55Å; D228-K273 PolarHBondContact OD2-NZ 2.8Å
229	V	96.1	Very high	97.3	Very high	36 Å²	36	14.2 Å²	14.2	22%	0.218	10%	0.099	C	C	.	.	H	α-helix	trans	-52.6	-42.5	-175.8	176.8	0	0	0	0	113.4	L231 Q232 Q233 V575 D577	V229-L231 VanDerWaalsContact C-N 3.35Å; V229-L231 PolarHBondContact O-N 2.97Å; V229-Q232 PolarHBondContact O-N 2.87Å; V229-Q233 PolarHBondContact O-N 2.92Å; V229-V575 HydrophobicContact CG1-CB 4.12Å; V229-V575 HydrophobicContact CG1-CG1 4.23Å; V229-V575 WeakPolarHBondContact CG1-O 3.33Å; V229-D577 HydrophobicContact CG2-CB 3.87Å
230	G	95.1	Very high	97.3	Very high	21 Å²	21	14.1 Å²	14.1	22%	0.216	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-40	179.5	0	0	0	0	0	112.5	D228 Q233 A234	D228-G230 VanDerWaalsContact C-N 3.3Å; D228-G230 PolarHBondContact O-N 2.85Å; G230-Q233 PolarHBondContact O-N 2.84Å; G230-A234 PolarHBondContact O-N 2.84Å
231	L	96.4	Very high	97.3	Very high	14 Å²	14	14 Å²	14	7%	0.073	10%	0.098	C	C	.	.	H	α-helix	trans	-72.3	-37.2	176.3	-177.8	50.5	0	0	0	112.9	F223 P227 D228 V229 Q233 A234 S235 F268 L313	F223-L231 HydrophobicContact CD1-CD1 4.19Å; F223-L231 HydrophobicContact CD1-CD2 3.91Å; F223-L231 HydrophobicContact CD1-CG 3.92Å; F223-L231 HydrophobicContact CE1-CD1 4.11Å; F223-L231 HydrophobicContact CE1-CG 4.03Å; P227-L231 HydrophobicContact CB-CB 3.93Å; P227-L231 HydrophobicContact CB-CD2 3.69Å; P227-L231 HydrophobicContact CB-CG 3.6Å; D228-L231 WeakPolarHBondContact O-CB 3.49Å; D228-L231 PolarHBondContact O-N 2.85Å; V229-L231 VanDerWaalsContact C-N 3.35Å; V229-L231 PolarHBondContact O-N 2.97Å; L231-Q233 VanDerWaalsContact C-N 3.3Å; L231-Q233 PolarHBondContact O-N 2.89Å; L231-A234 PolarHBondContact O-N 2.85Å; L231-S235 WeakPolarHBondContact O-CB 3.29Å; L231-S235 PolarHBondContact O-N 2.7Å; L231-S235 PolarHBondContact O-OG 3.13Å; L231-F268 HydrophobicContact CD1-CB 3.61Å; L231-F268 HydrophobicContact CD1-CD1 4.15Å; L231-F268 HydrophobicContact CD1-CG 4.06Å; L231-L313 HydrophobicContact CD1-CD1 3.64Å
232	Q	97.4	Very high	97.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-43.1	171.3	-67.4	173.5	30.2	0	0	110.9	P227 D228 V229 S235 A236 M543 M552 L555 V575	P227-Q232 HydrophobicContact CB-CG 4.07Å; P227-Q232 HydrophobicContact CG-CG 3.82Å; P227-Q232 PolarHBondContact O-NE2 3.4Å; D228-Q232 WeakPolarHBondContact O-CG 3.4Å; D228-Q232 PolarHBondContact O-N 3.34Å; V229-Q232 PolarHBondContact O-N 2.87Å; Q232-S235 PolarHBondContact O-OG 3.11Å; Q232-A236 VanDerWaalsContact O-CB 3.31Å; Q232-A236 WeakPolarHBondContact O-CB 3.38Å; Q232-A236 PolarHBondContact O-N 3.27Å; Q232-M543 VanDerWaalsContact OE1-CG 3.24Å; Q232-M552 HydrophobicContact CB-CE 4.39Å; Q232-M552 HydrophobicContact CB-SD 4.49Å; Q232-M552 HydrophobicContact CG-CE 4.42Å; Q232-M552 HydrophobicContact CG-SD 3.93Å; Q232-L555 HydrophobicContact CB-CD2 4.22Å; Q232-V575 HydrophobicContact CB-CG1 4.11Å
233	Q	97.8	Very high	97.1	Very high	39 Å²	39	14 Å²	14	18%	0.182	10%	0.098	C	C	.	.	H	α-helix	trans	-66.3	-44.8	176.8	-170.3	178.6	-6.5	0	0	112.2	V229 G230 L231 S235 A236 I237 L314 L573 V575	V229-Q233 PolarHBondContact O-N 2.92Å; G230-Q233 PolarHBondContact O-N 2.84Å; L231-Q233 VanDerWaalsContact C-N 3.3Å; L231-Q233 PolarHBondContact O-N 2.89Å; Q233-S235 PolarHBondContact O-N 3.23Å; Q233-A236 PolarHBondContact O-N 3.23Å; Q233-I237 WeakPolarHBondContact O-CG1 3.39Å; Q233-I237 PolarHBondContact O-N 2.99Å; Q233-I237 VanDerWaalsContact O-N 3.14Å; Q233-L314 HydrophobicContact CB-CD1 4.44Å; Q233-L314 HydrophobicContact CG-CD1 3.92Å; Q233-L573 PolarHBondContact NE2-O 2.98Å; Q233-V575 HydrophobicContact CB-CB 4.37Å; Q233-V575 HydrophobicContact CB-CG2 4.03Å; Q233-V575 HydrophobicContact CG-CG2 4.38Å
234	A	97.9	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-45.2	178.2	0	0	0	0	0	112	G230 L231 I237 V238 L313 A317	G230-A234 PolarHBondContact O-N 2.84Å; L231-A234 PolarHBondContact O-N 2.85Å; A234-I237 PolarHBondContact O-N 3.36Å; A234-V238 PolarHBondContact O-N 2.92Å; A234-L313 HydrophobicContact CB-CB 4.17Å; A234-A317 HydrophobicContact CB-CB 4.11Å; A234-A317 VanDerWaalsContact O-CB 3.26Å; A234-A317 WeakPolarHBondContact O-CB 3.27Å
235	S	98.2	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-36	177.5	54.1	0	0	0	0	113	L231 Q232 Q233 I237 V238 A239 M552	L231-S235 WeakPolarHBondContact O-CB 3.29Å; L231-S235 PolarHBondContact O-N 2.7Å; L231-S235 PolarHBondContact O-OG 3.13Å; Q232-S235 PolarHBondContact O-OG 3.11Å; Q233-S235 PolarHBondContact O-N 3.23Å; S235-I237 VanDerWaalsContact C-N 3.31Å; S235-I237 PolarHBondContact O-N 2.9Å; S235-V238 PolarHBondContact O-N 3.47Å; S235-A239 WeakPolarHBondContact O-CB 3.13Å; S235-A239 PolarHBondContact O-N 3.01Å; S235-M552 WeakPolarHBondContact OG-CE 3.2Å
236	A	98.4	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-36.9	173	0	0	0	0	0	113.1	Q232 Q233 S240 V559 L573	Q232-A236 VanDerWaalsContact O-CB 3.31Å; Q232-A236 WeakPolarHBondContact O-CB 3.38Å; Q232-A236 PolarHBondContact O-N 3.27Å; Q233-A236 PolarHBondContact O-N 3.23Å; A236-S240 WeakPolarHBondContact O-CB 3.49Å; A236-S240 PolarHBondContact O-N 2.69Å; A236-S240 PolarHBondContact O-OG 3.48Å; A236-V559 HydrophobicContact CB-CG2 3.98Å; A236-V559 WeakPolarHBondContact O-CG2 3.49Å; A236-L573 HydrophobicContact CB-CD2 4.07Å
237	I	98.3	Very high	96.2	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-44.7	174.2	-66.7	175.9	0	0	0	110.7	Q233 A234 S235 S240 W241 L314 A317 K318 A321	Q233-I237 WeakPolarHBondContact O-CG1 3.39Å; Q233-I237 PolarHBondContact O-N 2.99Å; Q233-I237 VanDerWaalsContact O-N 3.14Å; A234-I237 PolarHBondContact O-N 3.36Å; S235-I237 VanDerWaalsContact C-N 3.31Å; S235-I237 PolarHBondContact O-N 2.9Å; I237-S240 WeakPolarHBondContact CA-OG 3.35Å; I237-S240 PolarHBondContact O-OG 3.44Å; I237-W241 WeakPolarHBondContact O-CB 3.45Å; I237-W241 PolarHBondContact O-N 3.3Å; I237-L314 HydrophobicContact CD1-CD1 3.53Å; I237-A317 HydrophobicContact CB-CB 4.16Å; I237-A317 HydrophobicContact CG2-CB 4.19Å; I237-K318 HydrophobicContact CD1-CG 4.09Å; I237-A321 HydrophobicContact CG2-CB 3.86Å
238	V	98.3	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-45.2	178.4	177.5	0	0	0	0	110.9	M221 A234 S235 W241 F242 I266 F268 A317 I320	M221-V238 HydrophobicContact CE-CG1 4.2Å; A234-V238 PolarHBondContact O-N 2.92Å; S235-V238 PolarHBondContact O-N 3.47Å; V238-W241 WeakPolarHBondContact O-CB 3.2Å; V238-W241 PolarHBondContact O-N 3.16Å; V238-F242 HydrophobicContact CG1-CD2 3.72Å; V238-F242 HydrophobicContact CG1-CE2 3.67Å; V238-F242 WeakPolarHBondContact O-CD2 3.3Å; V238-F242 PolarHBondContact O-N 3.09Å; V238-I266 HydrophobicContact CG1-CG2 4.36Å; V238-F268 HydrophobicContact CB-CE1 4.44Å; V238-F268 HydrophobicContact CB-CZ 3.97Å; V238-F268 HydrophobicContact CG1-CZ 4.27Å; V238-F268 HydrophobicContact CG2-CE1 3.92Å; V238-F268 HydrophobicContact CG2-CZ 3.95Å; V238-A317 HydrophobicContact CG2-CB 3.8Å; V238-I320 HydrophobicContact CG2-CD1 3.96Å
239	A	98.2	Very high	95.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-45.9	178.2	0	0	0	0	0	112.4	M221 S235 W241 F242 G243 F253 L556 V559	M221-A239 HydrophobicContact CE-CB 3.64Å; M221-A239 HydrophobicContact SD-CB 4.4Å; S235-A239 WeakPolarHBondContact O-CB 3.13Å; S235-A239 PolarHBondContact O-N 3.01Å; A239-W241 VanDerWaalsContact C-N 3.28Å; A239-W241 PolarHBondContact O-N 3.05Å; A239-F242 PolarHBondContact O-N 2.77Å; A239-G243 PolarHBondContact O-N 3.34Å; A239-F253 HydrophobicContact CB-CD2 3.92Å; A239-F253 HydrophobicContact CB-CE2 3.9Å; A239-F253 HydrophobicContact CB-CG 4.35Å; A239-F253 HydrophobicContact CB-CZ 4.36Å; A239-F253 WeakPolarHBondContact O-CZ 3.24Å; A239-L556 HydrophobicContact CB-CB 3.87Å; A239-L556 HydrophobicContact CB-CD2 3.72Å; A239-L556 HydrophobicContact CB-CG 4.35Å; A239-V559 HydrophobicContact CB-CG2 4.11Å
240	S	97.7	Very high	94.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-33.3	175.8	58.9	0	0	0	0	112.8	A236 I237 G243 S244 V559 A570	A236-S240 WeakPolarHBondContact O-CB 3.49Å; A236-S240 PolarHBondContact O-N 2.69Å; A236-S240 PolarHBondContact O-OG 3.48Å; I237-S240 WeakPolarHBondContact CA-OG 3.35Å; I237-S240 PolarHBondContact O-OG 3.44Å; S240-G243 PolarHBondContact O-N 3.3Å; S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.34Å; S240-V559 VanDerWaalsContact CB-O 3.32Å; S240-V559 WeakPolarHBondContact CB-O 3.17Å; S240-A570 WeakPolarHBondContact OG-CB 3.45Å; S240-A570 PolarHBondContact OG-N 2.99Å
241	W	97.6	Very high	94.8	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-68.3	-45.1	174.3	-176.1	85.9	0	0	0	113.1	F204 P205 I237 V238 A239 G243 S244 R245 I320 A321 N324 P569	F204-W241 HydrophobicContact CD1-CH2 4.1Å; F204-W241 AromaticContact CE1-CH2 3.23Å; F204-W241 HydrophobicContact CE1-CH2 3.23Å; F204-W241 AromaticContact CE1-CZ2 3.79Å; F204-W241 HydrophobicContact CE1-CZ2 3.79Å; F204-W241 AromaticContact CE1-CZ3 3.78Å; F204-W241 HydrophobicContact CE1-CZ3 3.78Å; F204-W241 AromaticContact CZ-CH2 3.72Å; F204-W241 HydrophobicContact CZ-CH2 3.72Å; F204-W241 AromaticContact CZ-CZ3 3.76Å; F204-W241 HydrophobicContact CZ-CZ3 3.76Å; P205-W241 HydrophobicContact CB-CH2 3.77Å; P205-W241 HydrophobicContact CB-CZ3 3.97Å; P205-W241 HydrophobicContact CG-CH2 4.02Å; P205-W241 HydrophobicContact CG-CZ3 4.5Å; I237-W241 WeakPolarHBondContact O-CB 3.45Å; I237-W241 PolarHBondContact O-N 3.3Å; V238-W241 WeakPolarHBondContact O-CB 3.2Å; V238-W241 PolarHBondContact O-N 3.16Å; A239-W241 VanDerWaalsContact C-N 3.28Å; A239-W241 PolarHBondContact O-N 3.05Å; W241-G243 VanDerWaalsContact C-N 3.33Å; W241-S244 PolarHBondContact O-N 3.28Å; W241-S244 PolarHBondContact O-OG 3.34Å; W241-R245 VanDerWaalsContact CG-NH1 3.35Å; W241-R245 PolarHBondContact O-NH1 2.92Å; W241-I320 HydrophobicContact CD2-CG2 4.04Å; W241-I320 HydrophobicContact CE3-CG2 4.03Å; W241-I320 HydrophobicContact CZ3-CG2 4.35Å; W241-I320 PolarHBondContact NE1-O 2.79Å; W241-A321 VanDerWaalsContact CD1-O 3.31Å; W241-A321 PolarHBondContact NE1-O 3.34Å; W241-N324 HydrophobicContact CZ2-CB 4.16Å; W241-N324 WeakPolarHBondContact CZ2-ND2 3.44Å; W241-N324 PolarHBondContact NE1-ND2 2.85Å; W241-P569 HydrophobicContact CB-CB 3.95Å
242	F	97.6	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-38.1	173.2	-82.7	-74.3	0	0	0	111.4	F204 P205 F208 F209 L219 V238 A239 S244 R245 S246 F253 I266	F204-F242 HydrophobicContact CE2-CZ 4.39Å; F204-F242 HydrophobicContact CZ-CZ 4.2Å; P205-F242 HydrophobicContact CB-CE1 4.1Å; F208-F242 HydrophobicContact CB-CE1 3.87Å; F208-F242 HydrophobicContact CB-CZ 3.86Å; F209-F242 HydrophobicContact CB-CD1 3.76Å; F209-F242 HydrophobicContact CB-CE1 3.74Å; L219-F242 HydrophobicContact CD2-CD1 3.8Å; L219-F242 HydrophobicContact CD2-CD2 3.69Å; L219-F242 HydrophobicContact CD2-CE1 3.77Å; L219-F242 HydrophobicContact CD2-CE2 3.69Å; L219-F242 HydrophobicContact CD2-CG 3.76Å; L219-F242 HydrophobicContact CD2-CZ 3.73Å; V238-F242 HydrophobicContact CG1-CD2 3.72Å; V238-F242 HydrophobicContact CG1-CE2 3.67Å; V238-F242 WeakPolarHBondContact O-CD2 3.3Å; V238-F242 PolarHBondContact O-N 3.09Å; A239-F242 PolarHBondContact O-N 2.77Å; F242-S244 PolarHBondContact O-N 3.42Å; F242-R245 PolarHBondContact O-N 3.08Å; F242-S246 PolarHBondContact O-N 3.38Å; F242-S246 PolarHBondContact O-OG 3.06Å; F242-F253 HydrophobicContact CB-CE1 3.79Å; F242-F253 HydrophobicContact CB-CZ 3.77Å; F242-I266 HydrophobicContact CE2-CD1 3.92Å; F242-I266 HydrophobicContact CE2-CG1 4.21Å; F242-I266 HydrophobicContact CZ-CD1 4.04Å
243	G	95.9	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.7	-47.2	172.6	0	0	0	0	0	112.4	A239 S240 W241 R245 S246 G247 G560 A564	A239-G243 PolarHBondContact O-N 3.34Å; S240-G243 PolarHBondContact O-N 3.3Å; W241-G243 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.18Å; G243-S246 PolarHBondContact O-N 3.21Å; G243-G247 PolarHBondContact O-N 3.03Å; G243-G560 VanDerWaalsContact CA-O 3.31Å; G243-G560 WeakPolarHBondContact CA-O 3.33Å; G243-A564 WeakPolarHBondContact O-CA 3.15Å; G243-A564 VanDerWaalsContact O-CB 3.29Å; G243-A564 WeakPolarHBondContact O-CB 3.09Å
244	S	95.3	Very high	94.7	Very high	20 Å²	20	21.2 Å²	21.2	14%	0.14	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-23.1	177.9	72.9	0	0	0	0	114.8	S240 W241 F242 G563	S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.34Å; W241-S244 PolarHBondContact O-N 3.28Å; W241-S244 PolarHBondContact O-OG 3.34Å; F242-S244 PolarHBondContact O-N 3.42Å; S244-G563 VanDerWaalsContact CA-O 3.25Å; S244-G563 WeakPolarHBondContact CA-O 3.48Å; S244-G563 VanDerWaalsContact CB-O 3.31Å; S244-G563 WeakPolarHBondContact CB-O 3.44Å
245	R	94.2	Very high	94.7	Very high	80 Å²	80	21.6 Å²	21.6	30%	0.302	11%	0.106	S	C	.	.	H	α-helix	trans	-94.7	-24.5	175.3	-72.5	164	178.9	64.6	8.4	113.7	F209 W241 F242 G243 G247	F209-R245 HydrophobicContact CD1-CB 4.03Å; F209-R245 HydrophobicContact CE1-CB 3.62Å; F209-R245 HydrophobicContact CE1-CG 4.39Å; F209-R245 HydrophobicContact CE2-CB 4.22Å; F209-R245 HydrophobicContact CZ-CB 3.73Å; F209-R245 WeakPolarHBondContact CZ-O 3.35Å; W241-R245 VanDerWaalsContact CG-NH1 3.35Å; W241-R245 PolarHBondContact O-NH1 2.92Å; F242-R245 PolarHBondContact O-N 3.08Å; G243-R245 PolarHBondContact O-N 3.18Å; R245-G247 VanDerWaalsContact C-N 3.33Å
246	S	92.4	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.9	-35.3	-177.6	-56.1	0	0	0	0	111.1	N217 F242 G243 W248 R249	N217-S246 WeakPolarHBondContact CB-OG 3.37Å; N217-S246 PolarHBondContact ND2-OG 3.32Å; N217-S246 VanDerWaalsContact ND2-OG 3.13Å; F242-S246 PolarHBondContact O-N 3.38Å; F242-S246 PolarHBondContact O-OG 3.06Å; G243-S246 PolarHBondContact O-N 3.21Å; S246-W248 PolarHBondContact O-N 3.2Å; S246-R249 WeakPolarHBondContact O-CB 3.43Å; S246-R249 PolarHBondContact O-N 2.91Å; S246-R249 VanDerWaalsContact O-N 3.16Å
247	G	85.7	Confident	94.7	Very high	31 Å²	31	24.8 Å²	24.8	32%	0.32	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	55.9	-125.3	172.5	0	0	0	0	0	112.2	G243 R245 R249	G243-G247 PolarHBondContact O-N 3.03Å; R245-G247 VanDerWaalsContact C-N 3.33Å; G247-R249 VanDerWaalsContact C-N 3.29Å; G247-R249 PolarHBondContact O-N 2.93Å
248	W	83.3	Confident	94.6	Very high	191 Å²	191	27.6 Å²	27.6	72%	0.723	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-71.6	-17.4	-177.4	65.6	-95.4	0	0	0	114.7	N214 S246 G250	N214-W248 HydrophobicContact CB-CH2 3.98Å; N214-W248 HydrophobicContact CB-CZ2 4.45Å; S246-W248 PolarHBondContact O-N 3.2Å; W248-G250 PolarHBondContact O-N 3.48Å
249	R	86.1	Confident	94.6	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-69	-21.7	-177.4	-61.5	171.6	174.3	96.6	4.2	113.1	P211 D213 N214 T216 S246 G247	P211-R249 PolarHBondContact O-NH2 3.18Å; D213-R249 WeakPolarHBondContact O-CD 3.24Å; D213-R249 PolarHBondContact O-NE 2.91Å; N214-R249 PolarHBondContact OD1-NH2 3.28Å; T216-R249 VanDerWaalsContact CA-O 3.3Å; T216-R249 WeakPolarHBondContact CA-O 3.44Å; T216-R249 PolarHBondContact OG1-O 3.03Å; S246-R249 WeakPolarHBondContact O-CB 3.43Å; S246-R249 PolarHBondContact O-N 2.91Å; S246-R249 VanDerWaalsContact O-N 3.16Å; G247-R249 VanDerWaalsContact C-N 3.29Å; G247-R249 PolarHBondContact O-N 2.93Å
250	G	89.7	Confident	94.5	Very high	13 Å²	13	35 Å²	35	13%	0.134	17%	0.171	C	C	.	.			trans	72.9	171.9	-166.3	0	0	0	0	0	112.3	N217 W248	N217-G250 PolarHBondContact N-O 2.58Å; N217-G250 VanDerWaalsContact N-O 3.09Å; W248-G250 PolarHBondContact O-N 3.48Å
251	Q	93.4	Very high	94.4	Very high	4 Å²	4	35 Å²	35	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.7	-176.4	65.1	-69.7	-23.7	0	0	109.6	N217 F253 F561 N684	N217-Q251 HydrophobicContact CB-CB 4.43Å; N217-Q251 CarbonylContact O-C 3.52Å; N217-Q251 WeakPolarHBondContact O-CA 3.18Å; Q251-F253 HydrophobicContact CB-CE2 3.98Å; Q251-F253 HydrophobicContact CB-CZ 3.92Å; Q251-F253 HydrophobicContact CG-CD2 4.37Å; Q251-F253 HydrophobicContact CG-CE2 3.58Å; Q251-F253 HydrophobicContact CG-CZ 3.98Å; Q251-F561 VanDerWaalsContact NE2-N 3.12Å; Q251-N684 PolarHBondContact O-ND2 2.83Å; Q251-N684 PolarHBondContact O-OD1 3.3Å
252	N	95.7	Very high	94.3	Very high	37 Å²	37	40.4 Å²	40.4	20%	0.198	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.7	169.9	-170.9	27.2	0	0	0	109.1	N217 T218 L219 P254 E553 N557	N217-N252 PolarHBondContact O-N 2.89Å; T218-N252 CarbonylContact C-O 3.5Å; T218-N252 VanDerWaalsContact CA-O 3.29Å; T218-N252 WeakPolarHBondContact CA-O 3.16Å; T218-N252 HydrophobicContact CG2-CB 4.45Å; L219-N252 PolarHBondContact N-O 2.87Å; N252-P254 VanDerWaalsContact C-CD 3.42Å; N252-P254 VanDerWaalsContact O-CD 3.29Å; N252-P254 WeakPolarHBondContact O-CD 3.48Å; N252-E553 PolarHBondContact OD1-OE1 2.77Å; N252-N557 WeakPolarHBondContact CA-OD1 3.48Å; N252-N557 PolarHBondContact OD1-ND2 3.15Å
253	F	97.4	Very high	94.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.			trans	-120.1	71.8	-179.6	-56.9	-65.7	0	0	0	111.4	L219 M221 A239 F242 Q251 V255 L556 N557	L219-F253 HydrophobicContact CB-CD1 4.06Å; L219-F253 HydrophobicContact CB-CE1 4.21Å; L219-F253 HydrophobicContact CD2-CE1 4.39Å; L219-F253 WeakPolarHBondContact O-CA 3.3Å; M221-F253 HydrophobicContact CE-CB 4.34Å; M221-F253 HydrophobicContact CE-CD1 3.62Å; M221-F253 HydrophobicContact CE-CE1 4.08Å; M221-F253 HydrophobicContact CE-CG 4Å; M221-F253 HydrophobicContact CG-CB 4.47Å; A239-F253 HydrophobicContact CB-CD2 3.92Å; A239-F253 HydrophobicContact CB-CE2 3.9Å; A239-F253 HydrophobicContact CB-CG 4.35Å; A239-F253 HydrophobicContact CB-CZ 4.36Å; A239-F253 WeakPolarHBondContact O-CZ 3.24Å; F242-F253 HydrophobicContact CB-CE1 3.79Å; F242-F253 HydrophobicContact CB-CZ 3.77Å; Q251-F253 HydrophobicContact CB-CE2 3.98Å; Q251-F253 HydrophobicContact CB-CZ 3.92Å; Q251-F253 HydrophobicContact CG-CD2 4.37Å; Q251-F253 HydrophobicContact CG-CE2 3.58Å; Q251-F253 HydrophobicContact CG-CZ 3.98Å; F253-V255 PolarHBondContact O-N 2.77Å; F253-L556 HydrophobicContact CB-CB 3.79Å; F253-L556 HydrophobicContact CB-CD1 4.16Å; F253-L556 HydrophobicContact CD2-CB 4.09Å; F253-L556 WeakPolarHBondContact CD2-O 3.36Å; F253-L556 HydrophobicContact CG-CB 4.29Å; F253-N557 WeakPolarHBondContact CD2-OD1 2.91Å; F253-N557 PolarHBondContact N-OD1 2.95Å
254	P	97.3	Very high	94.2	Very high	28 Å²	28	46.9 Å²	46.9	18%	0.182	23%	0.227	C	C	.	.			trans	-52.9	137.1	178.1	-24.8	33	0	0	0	111.7	T218 P220 M221 N252	T218-P254 HydrophobicContact CG2-CG 3.87Å; P220-P254 CarbonylContact C-O 3.57Å; P220-P254 WeakPolarHBondContact CA-O 3.32Å; M221-P254 PolarHBondContact N-O 3.41Å; N252-P254 VanDerWaalsContact C-CD 3.42Å; N252-P254 VanDerWaalsContact O-CD 3.29Å; N252-P254 WeakPolarHBondContact O-CD 3.48Å
255	V	98.1	Very high	94.4	Very high	8 Å²	8	46 Å²	46	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.3	-178.5	174.6	0	0	0	0	110.7	M221 F223 F253 Y257 E549 M552 E553 L556	M221-V255 WeakPolarHBondContact O-CA 3.46Å; F223-V255 HydrophobicContact CD2-CG1 3.81Å; F223-V255 HydrophobicContact CE2-CG1 3.84Å; F223-V255 HydrophobicContact CE2-CG2 4.34Å; F253-V255 PolarHBondContact O-N 2.77Å; V255-Y257 HydrophobicContact CG1-CD1 3.97Å; V255-Y257 HydrophobicContact CG1-CE1 3.47Å; V255-Y257 VanDerWaalsContact CG1-CE1 3.47Å; V255-E549 HydrophobicContact CB-CB 4.25Å; V255-E549 HydrophobicContact CG1-CB 4.29Å; V255-E549 HydrophobicContact CG1-CG 4.39Å; V255-M552 HydrophobicContact CB-CB 4.34Å; V255-M552 HydrophobicContact CG1-CB 4.04Å; V255-M552 HydrophobicContact CG1-CG 4.06Å; V255-M552 HydrophobicContact CG2-CB 3.9Å; V255-M552 HydrophobicContact CG2-CG 3.79Å; V255-E553 HydrophobicContact CG2-CB 4.05Å; V255-L556 HydrophobicContact CG2-CD1 3.6Å
256	L	98.3	Very high	94.6	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.188	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.3	178.9	-61.6	177.8	0	0	0	110.3	P220 M221 V222 F223 Q259 P261	P220-L256 HydrophobicContact CB-CD1 4.21Å; M221-L256 PolarHBondContact O-N 2.83Å; V222-L256 WeakPolarHBondContact CA-O 3.31Å; V222-L256 HydrophobicContact CG1-CB 4.41Å; V222-L256 HydrophobicContact CG2-CB 4.24Å; V222-L256 HydrophobicContact CG2-CD1 4.29Å; F223-L256 PolarHBondContact N-O 2.99Å; L256-Q259 HydrophobicContact CB-CB 4.24Å; L256-P261 HydrophobicContact CD1-CB 3.84Å
257	Y	97.9	Very high	94.9	Very high	30 Å²	30	42.1 Å²	42.1	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118	174.7	-67	-17.3	0	0	0	110.9	F223 G225 A226 P227 V255 Q259 P547 N548 E549	F223-Y257 HydrophobicContact CB-CD1 4.05Å; F223-Y257 HydrophobicContact CB-CE1 4.28Å; F223-Y257 HydrophobicContact CD2-CD1 4.25Å; F223-Y257 AromaticContact CD2-CE1 3.99Å; F223-Y257 HydrophobicContact CD2-CE1 3.99Å; F223-Y257 HydrophobicContact CG-CE1 4.46Å; G225-Y257 WeakPolarHBondContact O-CD1 3.43Å; G225-Y257 WeakPolarHBondContact O-CE1 3.45Å; A226-Y257 HydrophobicContact CB-CE2 4.32Å; P227-Y257 WeakPolarHBondContact CD-OH 3.34Å; V255-Y257 HydrophobicContact CG1-CD1 3.97Å; V255-Y257 HydrophobicContact CG1-CE1 3.47Å; V255-Y257 VanDerWaalsContact CG1-CE1 3.47Å; Y257-Q259 WeakPolarHBondContact O-CG 3.38Å; Y257-Q259 PolarHBondContact O-N 3.12Å; Y257-Q259 VanDerWaalsContact O-N 3.08Å; Y257-P547 PolarHBondContact OH-O 3.47Å; Y257-N548 PolarHBondContact OH-O 2.96Å; Y257-E549 HydrophobicContact CD1-CG 4.45Å; Y257-E549 VanDerWaalsContact CD2-CD 3.49Å; Y257-E549 HydrophobicContact CD2-CG 3.75Å; Y257-E549 VanDerWaalsContact CD2-OE1 3.3Å; Y257-E549 WeakPolarHBondContact CD2-OE1 3.22Å; Y257-E549 HydrophobicContact CE2-CG 3.87Å; Y257-E549 HydrophobicContact CG-CG 4.06Å
258	N	97.4	Very high	95.5	Very high	60 Å²	60	40.8 Å²	40.8	32%	0.321	19%	0.191	S	C	.	.	S	Bend	trans	48.3	35.4	-180	-162.7	30.1	0	0	0	113.9	F223 P275 D276	F223-N258 PolarHBondContact O-N 2.83Å; N258-P275 VanDerWaalsContact OD1-CA 3.31Å; N258-P275 WeakPolarHBondContact OD1-CA 3.4Å; N258-D276 VanDerWaalsContact ND2-CG 3.3Å; N258-D276 PolarHBondContact ND2-OD2 2.99Å; N258-D276 PolarHBondContact OD1-N 2.86Å
259	Q	97	Very high	96.1	Very high	105 Å²	105	31.7 Å²	31.7	49%	0.491	16%	0.157	S	C	.	.			trans	-121.9	140.3	-179.2	-75.2	171.6	22.7	0	0	109.8	V222 L256 Y257	V222-Q259 WeakPolarHBondContact CG1-O 3.37Å; L256-Q259 HydrophobicContact CB-CB 4.24Å; Y257-Q259 WeakPolarHBondContact O-CG 3.38Å; Y257-Q259 PolarHBondContact O-N 3.12Å; Y257-Q259 VanDerWaalsContact O-N 3.08Å
260	L	96.1	Very high	96.6	Very high	50 Å²	50	30.2 Å²	30.2	26%	0.262	15%	0.153	S	C	.	.			trans	-76.4	123.5	175.3	-171.5	70.3	0	0	0	109	F277 H294 P295 Q296	L260-F277 HydrophobicContact CB-CD1 4.23Å; L260-F277 HydrophobicContact CD1-CB 4.16Å; L260-F277 HydrophobicContact CD1-CD1 3.77Å; L260-F277 HydrophobicContact CD1-CD2 3.89Å; L260-F277 HydrophobicContact CD1-CE1 4.09Å; L260-F277 HydrophobicContact CD1-CE2 4.21Å; L260-F277 HydrophobicContact CD1-CG 3.67Å; L260-F277 HydrophobicContact CD1-CZ 4.3Å; L260-H294 VanDerWaalsContact CD2-CE1 3.43Å; L260-H294 WeakPolarHBondContact CD2-CE1 3.26Å; L260-H294 VanDerWaalsContact CD2-NE2 3.34Å; L260-H294 WeakPolarHBondContact CD2-NE2 3.41Å; L260-H294 WeakPolarHBondContact CG-NE2 3.25Å; L260-P295 HydrophobicContact CD1-CG 4.18Å; L260-Q296 HydrophobicContact CD2-CG 3.98Å
261	P	96.8	Very high	96.9	Very high	2 Å²	2	31 Å²	31	1%	0.013	15%	0.154	C	C	.	.			trans	-73.6	150.7	-176.8	29.9	-34	0	0	0	111.9	P220 V222 L256 R263 A265 H294 L302	P220-P261 HydrophobicContact CB-CB 4.45Å; V222-P261 HydrophobicContact CG2-CB 4.19Å; V222-P261 HydrophobicContact CG2-CG 3.96Å; L256-P261 HydrophobicContact CD1-CB 3.84Å; P261-R263 VanDerWaalsContact C-N 3.32Å; P261-R263 PolarHBondContact O-N 2.81Å; P261-A265 HydrophobicContact CB-CB 3.68Å; P261-A265 HydrophobicContact CG-CB 3.52Å; P261-H294 PolarHBondContact O-CD2 2.77Å; P261-H294 VanDerWaalsContact O-CD2 3.29Å; P261-H294 PolarHBondContact O-NE2 2.74Å; P261-L302 HydrophobicContact CG-CD2 3.54Å
262	D	94.4	Very high	96.9	Very high	114 Å²	114	37.9 Å²	37.9	61%	0.61	19%	0.191	S	C	*	.	S	Bend	trans	-82.4	-6.4	-179.5	70.7	-22	0	0	0	114.3
263	R	95.1	Very high	96.9	Very high	110 Å²	110	41 Å²	41	42%	0.415	20%	0.202	S	C	.	.	S	Bend	trans	-150.1	179.4	-172.1	70	-169.5	66.1	-153.9	-6.1	111.3	P220 P261 A265 V300	P220-R263 HydrophobicContact CG-CG 3.76Å; P261-R263 VanDerWaalsContact C-N 3.32Å; P261-R263 PolarHBondContact O-N 2.81Å; R263-A265 PolarHBondContact O-N 3.22Å; R263-V300 WeakPolarHBondContact O-CG1 3.45Å
264	N	97.3	Very high	96.8	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.139	21%	0.213	C	C	.	.	S	Bend	trans	-54.8	130.6	177.5	-63.2	-22.8	0	0	0	109.8	P207 F208 L219 P220 V300 K301	P207-N264 PolarHBondContact O-ND2 2.93Å; F208-N264 HydrophobicContact CD1-CB 4.16Å; F208-N264 HydrophobicContact CE1-CB 4.45Å; L219-N264 WeakPolarHBondContact CD1-O 3.36Å; P220-N264 WeakPolarHBondContact CD-O 3.28Å; N264-V300 WeakPolarHBondContact OD1-CA 3.12Å; N264-K301 VanDerWaalsContact CA-O 3.25Å; N264-K301 WeakPolarHBondContact CA-O 3.28Å; N264-K301 PolarHBondContact OD1-N 3.2Å
265	A	98.4	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	160.4	-170.5	0	0	0	0	0	112.1	F208 P220 V222 P261 R263 K301 L302 L303	F208-A265 WeakPolarHBondContact CE1-O 3.1Å; P220-A265 HydrophobicContact CB-CB 4.08Å; P220-A265 WeakPolarHBondContact O-CA 3.23Å; P220-A265 WeakPolarHBondContact O-CB 3.32Å; V222-A265 HydrophobicContact CG2-CB 4.32Å; P261-A265 HydrophobicContact CB-CB 3.68Å; P261-A265 HydrophobicContact CG-CB 3.52Å; R263-A265 PolarHBondContact O-N 3.22Å; A265-K301 PolarHBondContact N-O 3.22Å; A265-L302 HydrophobicContact CB-CD2 4Å; A265-L302 WeakPolarHBondContact O-CA 3.44Å; A265-L303 PolarHBondContact O-N 2.93Å
266	I	98.5	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.5	171.5	-46.6	-56.8	0	0	0	108	F208 L219 P220 M221 V222 V238 F242 F268 L303 V305	F208-I266 HydrophobicContact CB-CD1 4.44Å; F208-I266 HydrophobicContact CD1-CD1 3.91Å; F208-I266 HydrophobicContact CE1-CD1 4.45Å; F208-I266 HydrophobicContact CG-CD1 4.14Å; L219-I266 HydrophobicContact CD1-CD1 4.19Å; L219-I266 HydrophobicContact CD1-CG1 4.16Å; L219-I266 HydrophobicContact CD2-CD1 3.99Å; L219-I266 HydrophobicContact CD2-CG1 3.75Å; L219-I266 HydrophobicContact CG-CD1 4.37Å; L219-I266 HydrophobicContact CG-CG1 3.92Å; P220-I266 PolarHBondContact O-N 2.9Å; M221-I266 CarbonylContact C-O 3.54Å; M221-I266 WeakPolarHBondContact CA-O 3.21Å; M221-I266 HydrophobicContact CG-CB 4.39Å; V222-I266 PolarHBondContact N-O 2.96Å; V238-I266 HydrophobicContact CG1-CG2 4.36Å; F242-I266 HydrophobicContact CE2-CD1 3.92Å; F242-I266 HydrophobicContact CE2-CG1 4.21Å; F242-I266 HydrophobicContact CZ-CD1 4.04Å; I266-F268 HydrophobicContact CB-CE2 4.24Å; I266-F268 HydrophobicContact CG2-CD2 4.3Å; I266-F268 HydrophobicContact CG2-CE1 4.45Å; I266-F268 HydrophobicContact CG2-CE2 3.65Å; I266-F268 HydrophobicContact CG2-CZ 3.72Å; I266-L303 CarbonylContact C-O 3.5Å; I266-L303 WeakPolarHBondContact CA-O 3.45Å; I266-L303 HydrophobicContact CD1-CB 3.56Å; I266-L303 HydrophobicContact CD1-CD2 3.72Å; I266-L303 HydrophobicContact CD1-CG 4.28Å; I266-V305 HydrophobicContact CG2-CG2 3.84Å
267	V	98.5	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.5	178.6	-175.1	0	0	0	0	108.1	V222 P275 F277 L278 L302 L303 V304 V305	V222-V267 HydrophobicContact CB-CB 4.42Å; V222-V267 HydrophobicContact CB-CG1 4.28Å; V222-V267 HydrophobicContact CB-CG2 4.07Å; V222-V267 HydrophobicContact CG2-CG2 4.21Å; V267-P275 HydrophobicContact CG1-CG 3.94Å; V267-F277 HydrophobicContact CG1-CE2 4.32Å; V267-F277 HydrophobicContact CG1-CZ 4.05Å; V267-F277 HydrophobicContact CG2-CE2 4.27Å; V267-F277 HydrophobicContact CG2-CZ 4.07Å; V267-L278 HydrophobicContact CG1-CD1 3.7Å; V267-L302 HydrophobicContact CG2-CB 4.16Å; V267-L302 HydrophobicContact CG2-CD1 4.36Å; V267-L302 HydrophobicContact CG2-CD2 4.41Å; V267-L303 PolarHBondContact N-O 2.73Å; V267-V304 HydrophobicContact CB-CG1 4.13Å; V267-V304 HydrophobicContact CB-CG2 4.43Å; V267-V304 HydrophobicContact CG1-CG1 4.3Å; V267-V304 CarbonylContact O-C 3.47Å; V267-V304 WeakPolarHBondContact O-CA 3.29Å; V267-V305 PolarHBondContact O-N 3.1Å
268	F	98.3	Very high	96.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	174.1	-59.7	-96.5	0	0	0	110	M221 V222 F223 L231 V238 I266 V305	M221-F268 HydrophobicContact CB-CE2 4.2Å; M221-F268 HydrophobicContact CG-CE2 4.28Å; M221-F268 HydrophobicContact SD-CE2 3.77Å; M221-F268 HydrophobicContact SD-CZ 4.14Å; V222-F268 PolarHBondContact O-N 2.84Å; F223-F268 HydrophobicContact CD1-CB 4.02Å; F223-F268 HydrophobicContact CD1-CD2 4.12Å; F223-F268 HydrophobicContact CD1-CG 4.35Å; F223-F268 HydrophobicContact CE1-CB 4.1Å; F223-F268 AromaticContact CE1-CD2 3.54Å; F223-F268 HydrophobicContact CE1-CD2 3.54Å; F223-F268 HydrophobicContact CE1-CE2 4.2Å; F223-F268 AromaticContact CE1-CG 3.94Å; F223-F268 HydrophobicContact CE1-CG 3.94Å; F223-F268 AromaticContact CZ-CD2 3.95Å; F223-F268 HydrophobicContact CZ-CD2 3.95Å; F223-F268 HydrophobicContact CZ-CE2 4.24Å; L231-F268 HydrophobicContact CD1-CB 3.61Å; L231-F268 HydrophobicContact CD1-CD1 4.15Å; L231-F268 HydrophobicContact CD1-CG 4.06Å; V238-F268 HydrophobicContact CB-CE1 4.44Å; V238-F268 HydrophobicContact CB-CZ 3.97Å; V238-F268 HydrophobicContact CG1-CZ 4.27Å; V238-F268 HydrophobicContact CG2-CE1 3.92Å; V238-F268 HydrophobicContact CG2-CZ 3.95Å; I266-F268 HydrophobicContact CB-CE2 4.24Å; I266-F268 HydrophobicContact CG2-CD2 4.3Å; I266-F268 HydrophobicContact CG2-CE1 4.45Å; I266-F268 HydrophobicContact CG2-CE2 3.65Å; I266-F268 HydrophobicContact CG2-CZ 3.72Å; F268-V305 HydrophobicContact CD1-CB 3.79Å; F268-V305 HydrophobicContact CD1-CG1 4.1Å; F268-V305 HydrophobicContact CD1-CG2 4.2Å; F268-V305 HydrophobicContact CE1-CB 4.05Å; F268-V305 HydrophobicContact CE1-CG1 4.24Å; F268-V305 HydrophobicContact CE1-CG2 4Å
269	A	97.3	Very high	96.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.7	-176.8	0	0	0	0	0	112.4	K273 R274 L278 V304 V305 F306 G307	A269-K273 WeakPolarHBondContact CA-O 3.49Å; A269-R274 HydrophobicContact CB-CB 3.86Å; A269-L278 HydrophobicContact CB-CD1 4.37Å; A269-V304 HydrophobicContact CB-CG1 4.46Å; A269-V305 PolarHBondContact N-O 3.48Å; A269-F306 HydrophobicContact CB-CD1 4.11Å; A269-F306 HydrophobicContact CB-CE1 3.76Å; A269-F306 HydrophobicContact CB-CE2 4.42Å; A269-F306 HydrophobicContact CB-CZ 3.92Å; A269-F306 WeakPolarHBondContact O-CA 3.19Å; A269-G307 PolarHBondContact O-N 3.48Å
270	T	96.5	Very high	96	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	170.1	161.8	63.1	0	0	0	0	110.2	D272 K273 G307 L313	T270-D272 PolarHBondContact O-N 2.82Å; T270-K273 PolarHBondContact N-O 3.33Å; T270-K273 CarbonylContact O-C 3.56Å; T270-K273 PolarHBondContact O-N 2.86Å; T270-K273 WeakPolarHBondContact OG1-CB 3.39Å; T270-K273 PolarHBondContact OG1-N 3.18Å; T270-G307 VanDerWaalsContact CA-O 3.24Å; T270-G307 WeakPolarHBondContact CA-O 3.39Å; T270-L313 HydrophobicContact CG2-CD1 3.51Å; T270-L313 HydrophobicContact CG2-CG 4.16Å
271	N	96	Very high	95.9	Very high	29 Å²	29	54.7 Å²	54.7	16%	0.155	26%	0.258	C	S	.	.	S	Bend	trans	-56.4	-34.4	173.1	-72.1	-25.4	0	0	0	112.4	R274 A283 V284 G307	N271-R274 VanDerWaalsContact O-CZ 3.23Å; N271-R274 PolarHBondContact O-NE 2.77Å; N271-R274 VanDerWaalsContact O-NE 3.15Å; N271-R274 PolarHBondContact O-NH2 3.45Å; N271-A283 VanDerWaalsContact OD1-CA 3.29Å; N271-A283 WeakPolarHBondContact OD1-CA 3.12Å; N271-A283 WeakPolarHBondContact OD1-CB 3.21Å; N271-V284 PolarHBondContact ND2-O 2.87Å; N271-V284 PolarHBondContact OD1-N 2.88Å; N271-G307 PolarHBondContact N-O 3.16Å
272	D	93.6	Very high	95.8	Very high	149 Å²	149	59.2 Å²	59.2	80%	0.797	29%	0.287	S	S	*	.	S	Bend	trans	-96.6	-23.6	-176.6	-61.1	-33	0	0	0	113.4	T270	T270-D272 PolarHBondContact O-N 2.82Å
273	K	94.5	Very high	95.9	Very high	102 Å²	102	56.9 Å²	56.9	44%	0.443	28%	0.284	S	S	.	.	S	Bend	trans	-126.3	97.2	-178.7	-60	174.1	-179.2	168.2	0	109.9	A224 D228 A269 T270	A224-K273 HydrophobicContact CB-CB 4.34Å; D228-K273 IonicContact OD2-NZ 2.55Å; D228-K273 PolarHBondContact OD2-NZ 2.8Å; A269-K273 WeakPolarHBondContact CA-O 3.49Å; T270-K273 PolarHBondContact N-O 3.33Å; T270-K273 CarbonylContact O-C 3.56Å; T270-K273 PolarHBondContact O-N 2.86Å; T270-K273 WeakPolarHBondContact OG1-CB 3.39Å; T270-K273 PolarHBondContact OG1-N 3.18Å
274	R	95.2	Very high	95.9	Very high	59 Å²	59	52.5 Å²	52.5	22%	0.223	27%	0.269	C	S	.	.			trans	-138.2	148.7	178.6	67.9	-171.9	101.8	179.6	12.4	110.6	A224 A269 N271 L278 H281	A224-R274 VanDerWaalsContact CB-C 3.45Å; A269-R274 HydrophobicContact CB-CB 3.86Å; N271-R274 VanDerWaalsContact O-CZ 3.23Å; N271-R274 PolarHBondContact O-NE 2.77Å; N271-R274 VanDerWaalsContact O-NE 3.15Å; N271-R274 PolarHBondContact O-NH2 3.45Å; R274-L278 HydrophobicContact CB-CB 4.4Å; R274-L278 WeakPolarHBondContact CD-O 3.49Å; R274-H281 PolarHBondContact NH1-O 2.82Å
275	P	96.9	Very high	95.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.			trans	-58.5	155	171.2	-23.8	34.3	0	0	0	112.4	V222 N258 V267 F277 L278 R279	V222-P275 HydrophobicContact CG1-CG 4.07Å; N258-P275 VanDerWaalsContact OD1-CA 3.31Å; N258-P275 WeakPolarHBondContact OD1-CA 3.4Å; V267-P275 HydrophobicContact CG1-CG 3.94Å; P275-F277 HydrophobicContact CB-CD1 3.72Å; P275-F277 HydrophobicContact CB-CE1 3.32Å; P275-F277 HydrophobicContact CB-CE2 4.41Å; P275-F277 HydrophobicContact CB-CG 4.42Å; P275-F277 HydrophobicContact CB-CZ 3.71Å; P275-F277 HydrophobicContact CG-CE1 4Å; P275-F277 HydrophobicContact CG-CZ 3.96Å; P275-F277 PolarHBondContact O-N 3.11Å; P275-L278 PolarHBondContact O-N 3.45Å; P275-R279 PolarHBondContact O-N 2.75Å
276	D	96.1	Very high	95.8	Very high	106 Å²	106	61.3 Å²	61.3	57%	0.567	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-58.4	-35.2	-175.5	-73.7	-24.9	0	0	0	112.8	N258 L278 R279	N258-D276 VanDerWaalsContact ND2-CG 3.3Å; N258-D276 PolarHBondContact ND2-OD2 2.99Å; N258-D276 PolarHBondContact OD1-N 2.86Å; D276-L278 PolarHBondContact O-N 2.9Å; D276-R279 WeakPolarHBondContact O-CB 3.39Å; D276-R279 PolarHBondContact O-N 2.82Å; D276-R279 VanDerWaalsContact O-N 3.09Å
277	F	95.9	Very high	95.7	Very high	52 Å²	52	61.6 Å²	61.6	23%	0.228	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-70.7	-10	177.9	63.9	-98	0	0	0	113.9	V222 L260 V267 P275 P295 L302	V222-F277 HydrophobicContact CG1-CE1 4.13Å; V222-F277 HydrophobicContact CG1-CZ 4.11Å; L260-F277 HydrophobicContact CB-CD1 4.23Å; L260-F277 HydrophobicContact CD1-CB 4.16Å; L260-F277 HydrophobicContact CD1-CD1 3.77Å; L260-F277 HydrophobicContact CD1-CD2 3.89Å; L260-F277 HydrophobicContact CD1-CE1 4.09Å; L260-F277 HydrophobicContact CD1-CE2 4.21Å; L260-F277 HydrophobicContact CD1-CG 3.67Å; L260-F277 HydrophobicContact CD1-CZ 4.3Å; V267-F277 HydrophobicContact CG1-CE2 4.32Å; V267-F277 HydrophobicContact CG1-CZ 4.05Å; V267-F277 HydrophobicContact CG2-CE2 4.27Å; V267-F277 HydrophobicContact CG2-CZ 4.07Å; P275-F277 HydrophobicContact CB-CD1 3.72Å; P275-F277 HydrophobicContact CB-CE1 3.32Å; P275-F277 HydrophobicContact CB-CE2 4.41Å; P275-F277 HydrophobicContact CB-CG 4.42Å; P275-F277 HydrophobicContact CB-CZ 3.71Å; P275-F277 HydrophobicContact CG-CE1 4Å; P275-F277 HydrophobicContact CG-CZ 3.96Å; P275-F277 PolarHBondContact O-N 3.11Å; F277-P295 HydrophobicContact CB-CG 4.49Å; F277-L302 HydrophobicContact CE2-CD1 3.95Å
278	L	95.8	Very high	95.7	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-108.5	10	171.8	-66.1	-178.6	0	0	0	112.7	V267 A269 R274 P275 D276 D280 H281 I292 V304 F306	V267-L278 HydrophobicContact CG1-CD1 3.7Å; A269-L278 HydrophobicContact CB-CD1 4.37Å; R274-L278 HydrophobicContact CB-CB 4.4Å; R274-L278 WeakPolarHBondContact CD-O 3.49Å; P275-L278 PolarHBondContact O-N 3.45Å; D276-L278 PolarHBondContact O-N 2.9Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.37Å; L278-H281 HydrophobicContact CB-CB 4.28Å; L278-H281 HydrophobicContact CD2-CB 4.44Å; L278-H281 WeakPolarHBondContact O-CB 3.41Å; L278-H281 PolarHBondContact O-N 2.81Å; L278-I292 HydrophobicContact CD2-CD1 3.67Å; L278-V304 HydrophobicContact CD1-CG1 3.76Å; L278-V304 HydrophobicContact CD1-CG2 4.35Å; L278-F306 HydrophobicContact CD1-CE2 4.17Å; L278-F306 HydrophobicContact CD1-CZ 4.21Å
279	R	92.4	Very high	95.7	Very high	185 Å²	185	62.3 Å²	62.3	70%	0.698	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-43.9	-176.8	-175.2	175.1	-179.9	178.1	0.1	113	P275 D276 H281	P275-R279 PolarHBondContact O-N 2.75Å; D276-R279 WeakPolarHBondContact O-CB 3.39Å; D276-R279 PolarHBondContact O-N 2.82Å; D276-R279 VanDerWaalsContact O-N 3.09Å; R279-H281 VanDerWaalsContact C-N 3.29Å
280	D	92.6	Very high	95.7	Very high	158 Å²	158	64 Å²	64	85%	0.845	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	1.2	-178.5	-59	-36.2	0	0	0	113.1	L278	L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.37Å
281	H	94.3	Very high	95.8	Very high	40 Å²	40	63.8 Å²	63.8	19%	0.185	32%	0.323	C	S	.	.	S	Bend	trans	-66.9	135.4	177.4	-159.4	-80.5	0	0	0	110.5	R274 L278 R279 E290 F306	R274-H281 PolarHBondContact NH1-O 2.82Å; L278-H281 HydrophobicContact CB-CB 4.28Å; L278-H281 HydrophobicContact CD2-CB 4.44Å; L278-H281 WeakPolarHBondContact O-CB 3.41Å; L278-H281 PolarHBondContact O-N 2.81Å; R279-H281 VanDerWaalsContact C-N 3.29Å; H281-E290 IonicContact CE1-OE1 3.95Å; H281-E290 IonicContact CE1-OE2 3.13Å; H281-E290 PolarHBondContact CE1-OE2 2.98Å; H281-E290 IonicContact NE2-OE1 3.69Å; H281-E290 IonicContact NE2-OE2 3.45Å; H281-E290 PolarHBondContact NE2-OE2 2.87Å; H281-F306 HydrophobicContact CB-CZ 4.33Å; H281-F306 AromaticContact CE1-CE2 4Å; H281-F306 AromaticContact ND1-CE2 3.78Å; H281-F306 AromaticContact ND1-CZ 3.8Å
282	P	95	Very high	95.8	Very high	97 Å²	97	63.5 Å²	63.5	63%	0.63	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-56.2	144.1	178.5	-26.3	34.7	0	0	0	112.9
283	A	95.3	Very high	95.9	Very high	65 Å²	65	59.7 Å²	59.7	54%	0.537	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.2	136.5	175.1	0	0	0	0	0	111.1	N271	N271-A283 VanDerWaalsContact OD1-CA 3.29Å; N271-A283 WeakPolarHBondContact OD1-CA 3.12Å; N271-A283 WeakPolarHBondContact OD1-CB 3.21Å
284	V	95.9	Very high	96	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.103	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-88.4	150.2	178.1	-61.9	0	0	0	0	111.3	N271 V288 F306 R308	N271-V284 PolarHBondContact ND2-O 2.87Å; N271-V284 PolarHBondContact OD1-N 2.88Å; V284-V288 HydrophobicContact CB-CG2 4.19Å; V284-V288 HydrophobicContact CG1-CB 4.2Å; V284-V288 HydrophobicContact CG1-CG2 4.11Å; V284-F306 HydrophobicContact CG1-CB 3.91Å; V284-F306 HydrophobicContact CG1-CD1 4Å; V284-F306 HydrophobicContact CG1-CG 3.97Å; V284-F306 HydrophobicContact CG2-CB 4.06Å; V284-F306 HydrophobicContact CG2-CD1 3.97Å; V284-F306 HydrophobicContact CG2-CG 4.39Å; V284-R308 WeakPolarHBondContact O-CG 3.44Å
285	K	96.2	Very high	96	Very high	186 Å²	186	56.6 Å²	56.6	81%	0.809	30%	0.298	S	S	*	.	S	Bend	trans	-106	-2.6	180	-63.6	-179	-178.8	176.5	0	113.6	R308	K285-R308 WeakPolarHBondContact O-CD 3.44Å; K285-R308 PolarHBondContact O-NE 3.43Å; K285-R308 PolarHBondContact O-NH1 3.34Å
286	A	96.7	Very high	95.8	Very high	25 Å²	25	64.3 Å²	64.3	21%	0.207	33%	0.334	C	S	.	.	S	Bend	trans	-154.9	171.3	-175.1	0	0	0	0	0	109.5	V288 V333	A286-V288 WeakPolarHBondContact O-CG2 3.47Å; A286-V288 PolarHBondContact O-N 2.82Å; A286-V333 HydrophobicContact CB-CG1 3.67Å
287	P	97.6	Very high	95.7	Very high	7 Å²	7	61.9 Å²	61.9	5%	0.045	32%	0.321	C	S	.	.			trans	-60.9	118.4	167.3	-20.1	31.9	0	0	0	110.4	D312 Q315 A316 V333 V334	P287-D312 HydrophobicContact CB-CB 4.26Å; P287-D312 WeakPolarHBondContact CB-O 3.34Å; P287-D312 HydrophobicContact CG-CB 3.84Å; P287-Q315 HydrophobicContact CB-CB 4.35Å; P287-Q315 HydrophobicContact CB-CG 4.34Å; P287-Q315 HydrophobicContact CG-CB 4.08Å; P287-Q315 HydrophobicContact CG-CG 4.01Å; P287-A316 HydrophobicContact CB-CB 4.14Å; P287-V333 WeakPolarHBondContact O-CA 3.35Å; P287-V334 HydrophobicContact CB-CB 4.21Å; P287-V334 PolarHBondContact O-N 2.76Å
288	V	97.9	Very high	95.5	Very high	17 Å²	17	62 Å²	62	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.8	-175.6	175.1	0	0	0	0	110	V284 A286 E290 F306 V332 V333	V284-V288 HydrophobicContact CB-CG2 4.19Å; V284-V288 HydrophobicContact CG1-CB 4.2Å; V284-V288 HydrophobicContact CG1-CG2 4.11Å; A286-V288 WeakPolarHBondContact O-CG2 3.47Å; A286-V288 PolarHBondContact O-N 2.82Å; V288-E290 HydrophobicContact CG1-CB 4.27Å; V288-F306 HydrophobicContact CB-CB 4.13Å; V288-F306 PolarHBondContact N-O 3.19Å; V288-F306 PolarHBondContact O-N 2.97Å; V288-V332 WeakPolarHBondContact CA-O 3.33Å; V288-V333 HydrophobicContact CG2-CG2 4.21Å
289	I	98.1	Very high	95.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	168	-59.1	158	0	0	0	106.3	L201 L303 V304 A316 I320 F327 S331 V332 V334	L201-I289 HydrophobicContact CD1-CG2 4.34Å; I289-L303 HydrophobicContact CG2-CD1 3.72Å; I289-L303 HydrophobicContact CG2-CD2 4.32Å; I289-L303 HydrophobicContact CG2-CG 4.07Å; I289-V304 WeakPolarHBondContact CA-O 3.46Å; I289-A316 HydrophobicContact CG1-CB 4.14Å; I289-I320 HydrophobicContact CD1-CD1 4.25Å; I289-I320 HydrophobicContact CD1-CG1 3.5Å; I289-I320 VanDerWaalsContact CD1-CG1 3.5Å; I289-I320 HydrophobicContact CG1-CD1 4.35Å; I289-I320 HydrophobicContact CG1-CG1 4.12Å; I289-I320 HydrophobicContact CG2-CG1 4.5Å; I289-F327 HydrophobicContact CD1-CE1 4.01Å; I289-F327 HydrophobicContact CD1-CE2 3.88Å; I289-F327 HydrophobicContact CD1-CZ 3.28Å; I289-F327 HydrophobicContact CG2-CE2 4.27Å; I289-S331 CarbonylContact O-C 3.56Å; I289-S331 VanDerWaalsContact O-CA 3.26Å; I289-S331 WeakPolarHBondContact O-CA 3.34Å; I289-V332 PolarHBondContact N-O 3.23Å; I289-V332 PolarHBondContact O-N 2.85Å; I289-V334 HydrophobicContact CD1-CG2 3.61Å; I289-V334 HydrophobicContact CG1-CG2 4.33Å
290	E	97.8	Very high	95.5	Very high	37 Å²	37	56.1 Å²	56.1	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.8	-173.4	-174.3	173.3	-173.7	0	0	110.6	H281 V288 I292 L303 V304 E330	H281-E290 IonicContact CE1-OE1 3.95Å; H281-E290 IonicContact CE1-OE2 3.13Å; H281-E290 PolarHBondContact CE1-OE2 2.98Å; H281-E290 IonicContact NE2-OE1 3.69Å; H281-E290 IonicContact NE2-OE2 3.45Å; H281-E290 PolarHBondContact NE2-OE2 2.87Å; V288-E290 HydrophobicContact CG1-CB 4.27Å; E290-I292 HydrophobicContact CG-CG2 3.76Å; E290-L303 CarbonylContact O-C 3.59Å; E290-L303 WeakPolarHBondContact O-CA 3.5Å; E290-V304 PolarHBondContact N-O 3.43Å; E290-V304 PolarHBondContact O-N 3.24Å; E290-E330 WeakPolarHBondContact CA-O 3.45Å
291	M	97.8	Very high	95.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.3	170.2	-172.7	-174.3	-70.8	0	0	108.9	N199 L201 F208 K301 E330	N199-M291 HydrophobicContact CB-CB 4.47Å; N199-M291 HydrophobicContact CB-CG 4.42Å; N199-M291 WeakPolarHBondContact CB-O 3.41Å; L201-M291 HydrophobicContact CD2-CB 4.02Å; L201-M291 HydrophobicContact CD2-CE 4.03Å; L201-M291 HydrophobicContact CG-CB 4.24Å; F208-M291 HydrophobicContact CE2-CE 3.71Å; F208-M291 HydrophobicContact CZ-CE 4.39Å; F208-M291 HydrophobicContact CZ-CG 4.32Å; M291-K301 HydrophobicContact CG-CB 4.33Å; M291-K301 HydrophobicContact SD-CG 4.39Å; M291-E330 PolarHBondContact N-O 2.84Å
292	I	96.8	Very high	95.9	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	160.2	176.7	68.6	173.8	0	0	0	111.4	L278 E290 K301 L302 V304	L278-I292 HydrophobicContact CD2-CD1 3.67Å; E290-I292 HydrophobicContact CG-CG2 3.76Å; I292-K301 WeakPolarHBondContact O-CA 3.2Å; I292-L302 HydrophobicContact CD1-CB 4.35Å; I292-L302 HydrophobicContact CD1-CD1 4.29Å; I292-L302 HydrophobicContact CG1-CB 3.79Å; I292-L302 HydrophobicContact CG1-CD1 4.41Å; I292-L302 HydrophobicContact CG1-CG 4.48Å; I292-L302 PolarHBondContact N-O 3.22Å; I292-L302 PolarHBondContact O-N 3.25Å; I292-V304 HydrophobicContact CD1-CG2 3.65Å; I292-V304 HydrophobicContact CG1-CG2 3.84Å; I292-V304 HydrophobicContact CG2-CG2 4.49Å
293	N	96.3	Very high	96.1	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144	168.3	-69.1	-28.4	0	0	0	109.9	N199 K301	N199-N293 PolarHBondContact ND2-N 2.84Å; N199-N293 PolarHBondContact OD1-OD1 3.14Å; N293-K301 PolarHBondContact OD1-NZ 2.76Å
294	H	96.1	Very high	96.2	Very high	14 Å²	14	39 Å²	39	7%	0.065	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.9	166	175.3	-78.2	0	0	0	109.9	L260 P261 Q296 N297 V300 L302	L260-H294 VanDerWaalsContact CD2-CE1 3.43Å; L260-H294 WeakPolarHBondContact CD2-CE1 3.26Å; L260-H294 VanDerWaalsContact CD2-NE2 3.34Å; L260-H294 WeakPolarHBondContact CD2-NE2 3.41Å; L260-H294 WeakPolarHBondContact CG-NE2 3.25Å; P261-H294 PolarHBondContact O-CD2 2.77Å; P261-H294 VanDerWaalsContact O-CD2 3.29Å; P261-H294 PolarHBondContact O-NE2 2.74Å; H294-Q296 PolarHBondContact ND1-N 3.3Å; H294-Q296 PolarHBondContact O-N 2.8Å; H294-N297 WeakPolarHBondContact CB-O 3.4Å; H294-N297 PolarHBondContact ND1-N 2.8Å; H294-N297 VanDerWaalsContact ND1-N 3.17Å; H294-N297 CarbonylContact O-C 3.53Å; H294-N297 PolarHBondContact O-N 3.2Å; H294-V300 HydrophobicContact CB-CB 3.7Å; H294-V300 HydrophobicContact CB-CG1 3.76Å; H294-V300 WeakPolarHBondContact CB-O 3.41Å; H294-V300 PolarHBondContact N-O 2.97Å; H294-L302 HydrophobicContact CB-CG 4.39Å
295	P	94.4	Very high	96.3	Very high	82 Å²	82	38.2 Å²	38.2	53%	0.532	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.7	-169.4	-28.4	34.6	0	0	0	115.4	L260 F277	L260-P295 HydrophobicContact CD1-CG 4.18Å; F277-P295 HydrophobicContact CB-CG 4.49Å
296	Q	93.5	Very high	96.4	Very high	161 Å²	161	29.4 Å²	29.4	75%	0.752	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-7.8	-177.6	-52.5	172.3	4.1	0	0	113.2	L260 H294	L260-Q296 HydrophobicContact CD2-CG 3.98Å; H294-Q296 PolarHBondContact ND1-N 3.3Å; H294-Q296 PolarHBondContact O-N 2.8Å
297	N	93.4	Very high	96.4	Very high	55 Å²	55	28.2 Å²	28.2	29%	0.294	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	98.9	-172.6	-174.7	-5.5	0	0	0	111.3	H294 Y299 V300	H294-N297 WeakPolarHBondContact CB-O 3.4Å; H294-N297 PolarHBondContact ND1-N 2.8Å; H294-N297 VanDerWaalsContact ND1-N 3.17Å; H294-N297 CarbonylContact O-C 3.53Å; H294-N297 PolarHBondContact O-N 3.2Å; N297-Y299 PolarHBondContact O-N 2.82Å; N297-Y299 VanDerWaalsContact O-N 3.09Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.43Å; N297-Y299 WeakPolarHBondContact OD1-CD2 3.4Å; N297-Y299 PolarHBondContact OD1-N 3.23Å; N297-V300 HydrophobicContact CB-CB 4.49Å; N297-V300 HydrophobicContact CB-CG2 4.43Å; N297-V300 PolarHBondContact O-N 3.18Å
298	P	92.5	Very high	96.3	Very high	55 Å²	55	33.6 Å²	33.6	36%	0.357	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-16.5	-175.3	27.3	-35.3	0	0	0	114.5	N196 V300 K301	N196-P298 PolarHBondContact OD1-O 3.26Å; P298-V300 PolarHBondContact O-N 3.05Å; P298-K301 PolarHBondContact O-NZ 3.25Å
299	Y	92.9	Very high	96.2	Very high	53 Å²	53	36.4 Å²	36.4	21%	0.208	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-13.7	175.7	-60.7	-87.9	0	0	0	112.9	G56 P57 T194 N196 N297	G56-Y299 WeakPolarHBondContact CA-OH 3.17Å; P57-Y299 VanDerWaalsContact CD-CD2 3.49Å; P57-Y299 VanDerWaalsContact CD-CZ 3.43Å; P57-Y299 HydrophobicContact CG-CD1 4.29Å; P57-Y299 HydrophobicContact CG-CD2 3.64Å; P57-Y299 HydrophobicContact CG-CE2 4Å; P57-Y299 HydrophobicContact CG-CG 3.8Å; T194-Y299 HydrophobicContact CG2-CD1 4.21Å; T194-Y299 WeakPolarHBondContact O-CD1 3.29Å; T194-Y299 WeakPolarHBondContact O-CE1 3.46Å; N196-Y299 HydrophobicContact CB-CD1 3.96Å; N196-Y299 HydrophobicContact CB-CE1 3.79Å; N297-Y299 PolarHBondContact O-N 2.82Å; N297-Y299 VanDerWaalsContact O-N 3.09Å; N297-Y299 WeakPolarHBondContact OD1-CB 3.43Å; N297-Y299 WeakPolarHBondContact OD1-CD2 3.4Å; N297-Y299 PolarHBondContact OD1-N 3.23Å
300	V	95.4	Very high	96	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.1	176.3	174.2	0	0	0	0	109.3	R263 N264 H294 N297 P298	R263-V300 WeakPolarHBondContact O-CG1 3.45Å; N264-V300 WeakPolarHBondContact OD1-CA 3.12Å; H294-V300 HydrophobicContact CB-CB 3.7Å; H294-V300 HydrophobicContact CB-CG1 3.76Å; H294-V300 WeakPolarHBondContact CB-O 3.41Å; H294-V300 PolarHBondContact N-O 2.97Å; N297-V300 HydrophobicContact CB-CB 4.49Å; N297-V300 HydrophobicContact CB-CG2 4.43Å; N297-V300 PolarHBondContact O-N 3.18Å; P298-V300 PolarHBondContact O-N 3.05Å
301	K	97.4	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.7	179.8	-57.2	-51.2	-173.9	-161.4	0	111.7	N196 V197 P207 F208 N264 A265 M291 I292 N293 P298	N196-K301 PolarHBondContact OD1-NZ 3.44Å; V197-K301 HydrophobicContact CG2-CD 4.38Å; V197-K301 HydrophobicContact CG2-CG 4.06Å; V197-K301 WeakPolarHBondContact O-CE 3.37Å; V197-K301 PolarHBondContact O-NZ 2.76Å; P207-K301 HydrophobicContact CG-CB 3.91Å; P207-K301 HydrophobicContact CG-CG 3.71Å; F208-K301 HydrophobicContact CE1-CB 4.22Å; F208-K301 WeakPolarHBondContact CE1-O 3.41Å; F208-K301 HydrophobicContact CZ-CB 3.96Å; N264-K301 VanDerWaalsContact CA-O 3.25Å; N264-K301 WeakPolarHBondContact CA-O 3.28Å; N264-K301 PolarHBondContact OD1-N 3.2Å; A265-K301 PolarHBondContact N-O 3.22Å; M291-K301 HydrophobicContact CG-CB 4.33Å; M291-K301 HydrophobicContact SD-CG 4.39Å; I292-K301 WeakPolarHBondContact O-CA 3.2Å; N293-K301 PolarHBondContact OD1-NZ 2.76Å; P298-K301 PolarHBondContact O-NZ 3.25Å
302	L	98.1	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	172.2	-52.9	178.1	0	0	0	108.5	P261 A265 V267 F277 I292 H294	P261-L302 HydrophobicContact CG-CD2 3.54Å; A265-L302 HydrophobicContact CB-CD2 4Å; A265-L302 WeakPolarHBondContact O-CA 3.44Å; V267-L302 HydrophobicContact CG2-CB 4.16Å; V267-L302 HydrophobicContact CG2-CD1 4.36Å; V267-L302 HydrophobicContact CG2-CD2 4.41Å; F277-L302 HydrophobicContact CE2-CD1 3.95Å; I292-L302 HydrophobicContact CD1-CB 4.35Å; I292-L302 HydrophobicContact CD1-CD1 4.29Å; I292-L302 HydrophobicContact CG1-CB 3.79Å; I292-L302 HydrophobicContact CG1-CD1 4.41Å; I292-L302 HydrophobicContact CG1-CG 4.48Å; I292-L302 PolarHBondContact N-O 3.22Å; I292-L302 PolarHBondContact O-N 3.25Å; H294-L302 HydrophobicContact CB-CG 4.39Å
303	L	98.2	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108	168	-168.1	75.4	0	0	0	107.4	L201 F204 F208 A265 I266 V267 I289 E290 I320	L201-L303 HydrophobicContact CD2-CD1 3.52Å; F204-L303 HydrophobicContact CD2-CD1 4.32Å; F204-L303 HydrophobicContact CE2-CD1 4.14Å; F204-L303 HydrophobicContact CE2-CD2 3.66Å; F204-L303 HydrophobicContact CZ-CD2 4.24Å; F208-L303 HydrophobicContact CD1-CB 4.24Å; F208-L303 HydrophobicContact CD2-CB 4.28Å; F208-L303 HydrophobicContact CD2-CD1 4.49Å; F208-L303 HydrophobicContact CE1-CB 3.69Å; F208-L303 VanDerWaalsContact CE1-N 3.28Å; F208-L303 HydrophobicContact CE2-CB 3.72Å; F208-L303 HydrophobicContact CE2-CD1 3.79Å; F208-L303 HydrophobicContact CE2-CG 4.27Å; F208-L303 HydrophobicContact CZ-CB 3.42Å; F208-L303 VanDerWaalsContact CZ-CB 3.42Å; F208-L303 HydrophobicContact CZ-CD1 4.2Å; F208-L303 HydrophobicContact CZ-CG 4.4Å; F208-L303 VanDerWaalsContact CZ-N 3.28Å; A265-L303 PolarHBondContact O-N 2.93Å; I266-L303 CarbonylContact C-O 3.5Å; I266-L303 WeakPolarHBondContact CA-O 3.45Å; I266-L303 HydrophobicContact CD1-CB 3.56Å; I266-L303 HydrophobicContact CD1-CD2 3.72Å; I266-L303 HydrophobicContact CD1-CG 4.28Å; V267-L303 PolarHBondContact N-O 2.73Å; I289-L303 HydrophobicContact CG2-CD1 3.72Å; I289-L303 HydrophobicContact CG2-CD2 4.32Å; I289-L303 HydrophobicContact CG2-CG 4.07Å; E290-L303 CarbonylContact O-C 3.59Å; E290-L303 WeakPolarHBondContact O-CA 3.5Å; L303-I320 HydrophobicContact CD2-CD1 3.99Å
304	V	98.2	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.2	177.6	-156.7	0	0	0	0	109.8	V267 A269 L278 I289 E290 I292 F306	V267-V304 HydrophobicContact CB-CG1 4.13Å; V267-V304 HydrophobicContact CB-CG2 4.43Å; V267-V304 HydrophobicContact CG1-CG1 4.3Å; V267-V304 CarbonylContact O-C 3.47Å; V267-V304 WeakPolarHBondContact O-CA 3.29Å; A269-V304 HydrophobicContact CB-CG1 4.46Å; L278-V304 HydrophobicContact CD1-CG1 3.76Å; L278-V304 HydrophobicContact CD1-CG2 4.35Å; I289-V304 WeakPolarHBondContact CA-O 3.46Å; E290-V304 PolarHBondContact N-O 3.43Å; E290-V304 PolarHBondContact O-N 3.24Å; I292-V304 HydrophobicContact CD1-CG2 3.65Å; I292-V304 HydrophobicContact CG1-CG2 3.84Å; I292-V304 HydrophobicContact CG2-CG2 4.49Å; V304-F306 HydrophobicContact CB-CD2 3.75Å; V304-F306 HydrophobicContact CB-CE2 3.97Å; V304-F306 HydrophobicContact CG1-CD2 3.16Å; V304-F306 HydrophobicContact CG1-CE2 3.21Å; V304-F306 HydrophobicContact CG1-CG 4.14Å; V304-F306 HydrophobicContact CG1-CZ 4.21Å
305	V	98.1	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	105.2	170.2	-170.8	0	0	0	0	106.3	I266 V267 F268 A269 L313 A316 I320	I266-V305 HydrophobicContact CG2-CG2 3.84Å; V267-V305 PolarHBondContact O-N 3.1Å; F268-V305 HydrophobicContact CD1-CB 3.79Å; F268-V305 HydrophobicContact CD1-CG1 4.1Å; F268-V305 HydrophobicContact CD1-CG2 4.2Å; F268-V305 HydrophobicContact CE1-CB 4.05Å; F268-V305 HydrophobicContact CE1-CG1 4.24Å; F268-V305 HydrophobicContact CE1-CG2 4Å; A269-V305 PolarHBondContact N-O 3.48Å; V305-L313 HydrophobicContact CB-CD2 4.49Å; V305-L313 HydrophobicContact CG1-CD2 4.01Å; V305-L313 WeakPolarHBondContact O-CD2 3.27Å; V305-A316 HydrophobicContact CG1-CB 3.61Å; V305-I320 HydrophobicContact CG2-CD1 3.72Å
306	F	96.5	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.2	-172.9	-106.5	-73.7	0	0	0	111.9	A269 L278 H281 V284 V288 V304	A269-F306 HydrophobicContact CB-CD1 4.11Å; A269-F306 HydrophobicContact CB-CE1 3.76Å; A269-F306 HydrophobicContact CB-CE2 4.42Å; A269-F306 HydrophobicContact CB-CZ 3.92Å; A269-F306 WeakPolarHBondContact O-CA 3.19Å; L278-F306 HydrophobicContact CD1-CE2 4.17Å; L278-F306 HydrophobicContact CD1-CZ 4.21Å; H281-F306 HydrophobicContact CB-CZ 4.33Å; H281-F306 AromaticContact CE1-CE2 4Å; H281-F306 AromaticContact ND1-CE2 3.78Å; H281-F306 AromaticContact ND1-CZ 3.8Å; V284-F306 HydrophobicContact CG1-CB 3.91Å; V284-F306 HydrophobicContact CG1-CD1 4Å; V284-F306 HydrophobicContact CG1-CG 3.97Å; V284-F306 HydrophobicContact CG2-CB 4.06Å; V284-F306 HydrophobicContact CG2-CD1 3.97Å; V284-F306 HydrophobicContact CG2-CG 4.39Å; V288-F306 HydrophobicContact CB-CB 4.13Å; V288-F306 PolarHBondContact N-O 3.19Å; V288-F306 PolarHBondContact O-N 2.97Å; V304-F306 HydrophobicContact CB-CD2 3.75Å; V304-F306 HydrophobicContact CB-CE2 3.97Å; V304-F306 HydrophobicContact CG1-CD2 3.16Å; V304-F306 HydrophobicContact CG1-CE2 3.21Å; V304-F306 HydrophobicContact CG1-CG 4.14Å; V304-F306 HydrophobicContact CG1-CZ 4.21Å
307	G	96.8	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.7	172.5	0	0	0	0	0	112.4	A269 T270 N271 D309 D312	A269-G307 PolarHBondContact O-N 3.48Å; T270-G307 VanDerWaalsContact CA-O 3.24Å; T270-G307 WeakPolarHBondContact CA-O 3.39Å; N271-G307 PolarHBondContact N-O 3.16Å; G307-D309 VanDerWaalsContact C-N 3.3Å; G307-D312 VanDerWaalsContact CA-CB 3.47Å
308	R	96.8	Very high	96.3	Very high	120 Å²	120	31.2 Å²	31.2	45%	0.453	15%	0.146	S	C	.	.	S	Bend	trans	-67.4	-38.1	167.8	-67.1	167.1	-68.4	-170.4	4.4	110.9	V284 K285 D312	V284-R308 WeakPolarHBondContact O-CG 3.44Å; K285-R308 WeakPolarHBondContact O-CD 3.44Å; K285-R308 PolarHBondContact O-NE 3.43Å; K285-R308 PolarHBondContact O-NH1 3.34Å; R308-D312 WeakPolarHBondContact CB-OD2 3.35Å; R308-D312 WeakPolarHBondContact CG-OD2 3.48Å; R308-D312 IonicContact CZ-OD1 3.7Å; R308-D312 IonicContact CZ-OD2 3.38Å; R308-D312 PolarHBondContact N-OD2 3.45Å; R308-D312 IonicContact NE-OD1 3.72Å; R308-D312 IonicContact NE-OD2 2.7Å; R308-D312 PolarHBondContact NE-OD2 3.25Å; R308-D312 IonicContact NH2-OD1 2.81Å; R308-D312 PolarHBondContact NH2-OD1 3.47Å; R308-D312 IonicContact NH2-OD2 3.23Å; R308-D312 PolarHBondContact NH2-OD2 3.24Å
309	D	95.6	Very high	96.5	Very high	76 Å²	76	28.7 Å²	28.7	41%	0.406	13%	0.13	S	C	.	.	S	Bend	trans	-149.4	-176.3	-176.7	59.6	25.1	0	0	0	110.8	G307 K311 D312 L313	G307-D309 VanDerWaalsContact C-N 3.3Å; D309-K311 PolarHBondContact O-N 3.33Å; D309-K311 WeakPolarHBondContact OD1-CA 3.35Å; D309-K311 WeakPolarHBondContact OD1-CB 3.3Å; D309-K311 PolarHBondContact OD1-N 3.22Å; D309-D312 PolarHBondContact O-N 3.31Å; D309-D312 PolarHBondContact OD1-N 3.04Å; D309-L313 PolarHBondContact O-N 3.39Å; D309-L313 VanDerWaalsContact O-N 3.16Å
310	D	94.1	Very high	96.7	Very high	41 Å²	41	26.1 Å²	26.1	22%	0.219	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-28.3	179.2	-69.1	5.3	0	0	0	113.4	L313 L314	D310-L313 PolarHBondContact O-N 2.77Å; D310-L314 PolarHBondContact O-N 2.8Å
311	K	95.1	Very high	96.7	Very high	153 Å²	153	25.9 Å²	25.9	67%	0.665	12%	0.12	S	C	*	.	H	α-helix	trans	-69.5	-42.9	178.8	-179.6	-175	175.1	-175.6	0	110.3	D309 L313 L314 Q315	D309-K311 PolarHBondContact O-N 3.33Å; D309-K311 WeakPolarHBondContact OD1-CA 3.35Å; D309-K311 WeakPolarHBondContact OD1-CB 3.3Å; D309-K311 PolarHBondContact OD1-N 3.22Å; K311-L313 VanDerWaalsContact C-N 3.32Å; K311-L314 PolarHBondContact O-N 3.01Å; K311-Q315 PolarHBondContact O-N 2.84Å; K311-Q315 VanDerWaalsContact O-N 3.07Å
312	D	97	Very high	96.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-40.1	173.6	-82.6	0.8	0	0	0	111.3	P287 G307 R308 D309 L314 Q315 A316	P287-D312 HydrophobicContact CB-CB 4.26Å; P287-D312 WeakPolarHBondContact CB-O 3.34Å; P287-D312 HydrophobicContact CG-CB 3.84Å; G307-D312 VanDerWaalsContact CA-CB 3.47Å; R308-D312 WeakPolarHBondContact CB-OD2 3.35Å; R308-D312 WeakPolarHBondContact CG-OD2 3.48Å; R308-D312 IonicContact CZ-OD1 3.7Å; R308-D312 IonicContact CZ-OD2 3.38Å; R308-D312 PolarHBondContact N-OD2 3.45Å; R308-D312 IonicContact NE-OD1 3.72Å; R308-D312 IonicContact NE-OD2 2.7Å; R308-D312 PolarHBondContact NE-OD2 3.25Å; R308-D312 IonicContact NH2-OD1 2.81Å; R308-D312 PolarHBondContact NH2-OD1 3.47Å; R308-D312 IonicContact NH2-OD2 3.23Å; R308-D312 PolarHBondContact NH2-OD2 3.24Å; D309-D312 PolarHBondContact O-N 3.31Å; D309-D312 PolarHBondContact OD1-N 3.04Å; D312-L314 PolarHBondContact O-N 3.01Å; D312-Q315 WeakPolarHBondContact O-CB 3.22Å; D312-Q315 PolarHBondContact O-N 3.4Å; D312-A316 PolarHBondContact O-N 3.46Å
313	L	96.7	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-42.6	176.5	-71.5	-179.4	0	0	0	112.7	L231 A234 T270 V305 D309 D310 K311 Q315 A316 A317	L231-L313 HydrophobicContact CD1-CD1 3.64Å; A234-L313 HydrophobicContact CB-CB 4.17Å; T270-L313 HydrophobicContact CG2-CD1 3.51Å; T270-L313 HydrophobicContact CG2-CG 4.16Å; V305-L313 HydrophobicContact CB-CD2 4.49Å; V305-L313 HydrophobicContact CG1-CD2 4.01Å; V305-L313 WeakPolarHBondContact O-CD2 3.27Å; D309-L313 PolarHBondContact O-N 3.39Å; D309-L313 VanDerWaalsContact O-N 3.16Å; D310-L313 PolarHBondContact O-N 2.77Å; K311-L313 VanDerWaalsContact C-N 3.32Å; L313-Q315 VanDerWaalsContact C-N 3.26Å; L313-Q315 PolarHBondContact O-N 2.75Å; L313-A316 PolarHBondContact O-N 2.83Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 2.68Å
314	L	96.2	Very high	95.7	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-39.6	174.2	-175.7	65.9	0	0	0	111.4	Q233 I237 D310 K311 D312 K318	Q233-L314 HydrophobicContact CB-CD1 4.44Å; Q233-L314 HydrophobicContact CG-CD1 3.92Å; I237-L314 HydrophobicContact CD1-CD1 3.53Å; D310-L314 PolarHBondContact O-N 2.8Å; K311-L314 PolarHBondContact O-N 3.01Å; D312-L314 PolarHBondContact O-N 3.01Å; L314-K318 WeakPolarHBondContact O-CG 3.42Å; L314-K318 PolarHBondContact O-N 3.21Å
315	Q	96.5	Very high	95.4	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-42.6	177.2	-177.9	162.6	-27.4	0	0	112.3	P287 K311 D312 L313 K318 G319 V334 N335	P287-Q315 HydrophobicContact CB-CB 4.35Å; P287-Q315 HydrophobicContact CB-CG 4.34Å; P287-Q315 HydrophobicContact CG-CB 4.08Å; P287-Q315 HydrophobicContact CG-CG 4.01Å; K311-Q315 PolarHBondContact O-N 2.84Å; K311-Q315 VanDerWaalsContact O-N 3.07Å; D312-Q315 WeakPolarHBondContact O-CB 3.22Å; D312-Q315 PolarHBondContact O-N 3.4Å; L313-Q315 VanDerWaalsContact C-N 3.26Å; L313-Q315 PolarHBondContact O-N 2.75Å; Q315-K318 PolarHBondContact O-N 3.31Å; Q315-G319 PolarHBondContact O-N 3.4Å; Q315-V334 HydrophobicContact CG-CG1 4.09Å; Q315-V334 PolarHBondContact NE2-O 2.8Å; Q315-N335 PolarHBondContact NE2-O 2.66Å
316	A	97.4	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-44.1	174.1	0	0	0	0	0	111.5	P287 I289 V305 D312 L313 K318 G319 I320	P287-A316 HydrophobicContact CB-CB 4.14Å; I289-A316 HydrophobicContact CG1-CB 4.14Å; V305-A316 HydrophobicContact CG1-CB 3.61Å; D312-A316 PolarHBondContact O-N 3.46Å; L313-A316 PolarHBondContact O-N 2.83Å; A316-K318 VanDerWaalsContact C-N 3.35Å; A316-K318 PolarHBondContact O-N 3.22Å; A316-G319 CarbonylContact O-C 3.34Å; A316-G319 WeakPolarHBondContact O-CA 3.35Å; A316-G319 PolarHBondContact O-N 3.01Å; A316-I320 PolarHBondContact O-N 2.97Å
317	A	97.5	Very high	95.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-41.9	175.3	0	0	0	0	0	112.6	A234 I237 V238 L313 G319 I320 A321	A234-A317 HydrophobicContact CB-CB 4.11Å; A234-A317 VanDerWaalsContact O-CB 3.26Å; A234-A317 WeakPolarHBondContact O-CB 3.27Å; I237-A317 HydrophobicContact CB-CB 4.16Å; I237-A317 HydrophobicContact CG2-CB 4.19Å; V238-A317 HydrophobicContact CG2-CB 3.8Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 2.68Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 2.73Å; A317-I320 WeakPolarHBondContact O-CB 2.92Å; A317-I320 PolarHBondContact O-N 3.07Å; A317-A321 PolarHBondContact O-N 2.79Å
318	K	96.3	Very high	95.1	Very high	52 Å²	52	55.7 Å²	55.7	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-35.3	172.1	-72.1	177.4	179.5	-177.5	0	112.2	I237 L314 Q315 A316 A321 Q322 V337 I571	I237-K318 HydrophobicContact CD1-CG 4.09Å; L314-K318 WeakPolarHBondContact O-CG 3.42Å; L314-K318 PolarHBondContact O-N 3.21Å; Q315-K318 PolarHBondContact O-N 3.31Å; A316-K318 VanDerWaalsContact C-N 3.35Å; A316-K318 PolarHBondContact O-N 3.22Å; K318-A321 PolarHBondContact O-N 2.84Å; K318-Q322 PolarHBondContact O-N 2.74Å; K318-V337 HydrophobicContact CB-CB 4.09Å; K318-V337 HydrophobicContact CB-CG1 4.1Å; K318-V337 HydrophobicContact CB-CG2 4.18Å; K318-I571 HydrophobicContact CD-CG2 4.41Å; K318-I571 HydrophobicContact CG-CG2 4.22Å
319	G	96.6	Very high	95.1	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-44.4	173.4	0	0	0	0	0	112.6	Q315 A316 A317 A321 G323 N324	Q315-G319 PolarHBondContact O-N 3.4Å; A316-G319 CarbonylContact O-C 3.34Å; A316-G319 WeakPolarHBondContact O-CA 3.35Å; A316-G319 PolarHBondContact O-N 3.01Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 2.73Å; G319-A321 VanDerWaalsContact C-N 3.29Å; G319-A321 PolarHBondContact O-N 3.01Å; G319-G323 CarbonylContact O-C 3.56Å; G319-G323 VanDerWaalsContact O-CA 3.24Å; G319-G323 WeakPolarHBondContact O-CA 3.33Å; G319-G323 PolarHBondContact O-N 2.89Å; G319-N324 PolarHBondContact O-N 2.83Å
320	I	97.1	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-45.9	170.6	-64.5	173.3	0	0	0	109.9	F204 V238 W241 I289 L303 V305 A316 A317 Q322 N324 F327	F204-I320 HydrophobicContact CE1-CG2 4.07Å; F204-I320 HydrophobicContact CZ-CG2 3.82Å; V238-I320 HydrophobicContact CG2-CD1 3.96Å; W241-I320 HydrophobicContact CD2-CG2 4.04Å; W241-I320 HydrophobicContact CE3-CG2 4.03Å; W241-I320 HydrophobicContact CZ3-CG2 4.35Å; W241-I320 PolarHBondContact NE1-O 2.79Å; I289-I320 HydrophobicContact CD1-CD1 4.25Å; I289-I320 HydrophobicContact CD1-CG1 3.5Å; I289-I320 VanDerWaalsContact CD1-CG1 3.5Å; I289-I320 HydrophobicContact CG1-CD1 4.35Å; I289-I320 HydrophobicContact CG1-CG1 4.12Å; I289-I320 HydrophobicContact CG2-CG1 4.5Å; L303-I320 HydrophobicContact CD2-CD1 3.99Å; V305-I320 HydrophobicContact CG2-CD1 3.72Å; A316-I320 PolarHBondContact O-N 2.97Å; A317-I320 WeakPolarHBondContact O-CB 2.92Å; A317-I320 PolarHBondContact O-N 3.07Å; I320-Q322 PolarHBondContact O-N 2.92Å; I320-N324 WeakPolarHBondContact O-CB 3.3Å; I320-N324 PolarHBondContact O-ND2 3.01Å; I320-F327 HydrophobicContact CG1-CE2 4.23Å; I320-F327 HydrophobicContact CG1-CZ 4.19Å
321	A	95.4	Very high	95.3	Very high	10 Å²	10	54.9 Å²	54.9	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-42.4	-173.7	0	0	0	0	0	113.7	I237 W241 A317 K318 G319 P569 I571	I237-A321 HydrophobicContact CG2-CB 3.86Å; W241-A321 VanDerWaalsContact CD1-O 3.31Å; W241-A321 PolarHBondContact NE1-O 3.34Å; A317-A321 PolarHBondContact O-N 2.79Å; K318-A321 PolarHBondContact O-N 2.84Å; G319-A321 VanDerWaalsContact C-N 3.29Å; G319-A321 PolarHBondContact O-N 3.01Å; A321-P569 HydrophobicContact CB-CB 4.22Å; A321-P569 HydrophobicContact CB-CG 3.98Å; A321-I571 HydrophobicContact CB-CD1 4.34Å; A321-I571 HydrophobicContact CB-CG1 4.31Å
322	Q	93.1	Very high	95.4	Very high	81 Å²	81	48.9 Å²	48.9	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-121.1	-16.3	-167	-58.7	-174.6	-75.3	0	0	115	K318 I320 V337 I571	K318-Q322 PolarHBondContact O-N 2.74Å; I320-Q322 PolarHBondContact O-N 2.92Å; Q322-V337 HydrophobicContact CB-CG1 4.13Å; Q322-V337 HydrophobicContact CG-CG1 4.49Å; Q322-I571 HydrophobicContact CG-CD1 3.52Å
323	G	89.4	Confident	95.4	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-117.8	2.3	-173	0	0	0	0	0	115.3	G319 I325 L326	G319-G323 CarbonylContact O-C 3.56Å; G319-G323 VanDerWaalsContact O-CA 3.24Å; G319-G323 WeakPolarHBondContact O-CA 3.33Å; G319-G323 PolarHBondContact O-N 2.89Å; G323-I325 PolarHBondContact O-N 2.86Å; G323-I325 VanDerWaalsContact O-N 3.09Å; G323-L326 WeakPolarHBondContact O-CB 3.18Å; G323-L326 PolarHBondContact O-N 2.85Å
324	N	88.5	Confident	95.4	Very high	35 Å²	35	52.6 Å²	52.6	19%	0.187	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.3	-29.7	-174.3	54.2	62	0	0	0	115.1	F204 W241 G319 I320 L326 F327	F204-N324 HydrophobicContact CD1-CB 3.77Å; F204-N324 HydrophobicContact CE1-CB 3.82Å; W241-N324 HydrophobicContact CZ2-CB 4.16Å; W241-N324 WeakPolarHBondContact CZ2-ND2 3.44Å; W241-N324 PolarHBondContact NE1-ND2 2.85Å; G319-N324 PolarHBondContact O-N 2.83Å; I320-N324 WeakPolarHBondContact O-CB 3.3Å; I320-N324 PolarHBondContact O-ND2 3.01Å; N324-L326 PolarHBondContact O-N 2.87Å; N324-L326 VanDerWaalsContact O-N 3.09Å; N324-F327 HydrophobicContact CB-CD2 4.31Å; N324-F327 HydrophobicContact CB-CE2 4.17Å; N324-F327 HydrophobicContact CB-CZ 4.35Å; N324-F327 VanDerWaalsContact O-CB 3.27Å; N324-F327 WeakPolarHBondContact O-CB 3.41Å; N324-F327 WeakPolarHBondContact O-CG 3.44Å; N324-F327 PolarHBondContact O-N 2.78Å
325	I	92.1	Very high	95.3	Very high	152 Å²	152	57.5 Å²	57.5	78%	0.779	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19.1	178.1	-165.5	167.1	0	0	0	113.2	G323	G323-I325 PolarHBondContact O-N 2.86Å; G323-I325 VanDerWaalsContact O-N 3.09Å
326	L	94.2	Very high	95	Very high	133 Å²	133	62.2 Å²	62.2	70%	0.696	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-93.3	-2	178	-58.9	177.4	0	0	0	113.1	G323 N324	G323-L326 WeakPolarHBondContact O-CB 3.18Å; G323-L326 PolarHBondContact O-N 2.85Å; N324-L326 PolarHBondContact O-N 2.87Å; N324-L326 VanDerWaalsContact O-N 3.09Å
327	F	96.6	Very high	94.7	Very high	14 Å²	14	64 Å²	64	6%	0.061	34%	0.335	C	S	.	.			trans	-69.4	140.4	-176.6	-71	5.3	0	0	0	111.4	L201 F204 I289 I320 N324 V332	L201-F327 HydrophobicContact CB-CB 3.8Å; L201-F327 HydrophobicContact CB-CD2 4.4Å; L201-F327 HydrophobicContact CB-CG 4.5Å; F204-F327 HydrophobicContact CB-CD2 4.19Å; F204-F327 AromaticContact CD1-CD2 3.78Å; F204-F327 HydrophobicContact CD1-CD2 3.78Å; F204-F327 HydrophobicContact CD1-CE2 4.03Å; F204-F327 HydrophobicContact CE1-CD2 4.3Å; F204-F327 HydrophobicContact CE1-CE2 4.07Å; F204-F327 AromaticContact CG-CD2 3.9Å; F204-F327 HydrophobicContact CG-CD2 3.9Å; F204-F327 HydrophobicContact CG-CE2 4.39Å; I289-F327 HydrophobicContact CD1-CE1 4.01Å; I289-F327 HydrophobicContact CD1-CE2 3.88Å; I289-F327 HydrophobicContact CD1-CZ 3.28Å; I289-F327 HydrophobicContact CG2-CE2 4.27Å; I320-F327 HydrophobicContact CG1-CE2 4.23Å; I320-F327 HydrophobicContact CG1-CZ 4.19Å; N324-F327 HydrophobicContact CB-CD2 4.31Å; N324-F327 HydrophobicContact CB-CE2 4.17Å; N324-F327 HydrophobicContact CB-CZ 4.35Å; N324-F327 VanDerWaalsContact O-CB 3.27Å; N324-F327 WeakPolarHBondContact O-CB 3.41Å; N324-F327 WeakPolarHBondContact O-CG 3.44Å; N324-F327 PolarHBondContact O-N 2.78Å; F327-V332 HydrophobicContact CB-CG2 4.14Å; F327-V332 HydrophobicContact CD1-CB 4.32Å; F327-V332 HydrophobicContact CD1-CG1 3.91Å; F327-V332 HydrophobicContact CD1-CG2 4.11Å; F327-V332 HydrophobicContact CE1-CG1 4.09Å; F327-V332 HydrophobicContact CG-CG2 4.18Å
328	R	95.5	Very high	94.3	Very high	193 Å²	193	71.1 Å²	71.1	73%	0.728	37%	0.366	S	S	*	.			trans	-165.3	147.3	-177.1	57.7	-164.9	176.1	-175.5	-1.3	111	S202	S202-R328 WeakPolarHBondContact OG-CA 3.33Å
329	G	96.6	Very high	93.7	Very high	33 Å²	33	72.2 Å²	72.2	34%	0.34	38%	0.379	S	S	.	.	S	Bend	trans	72	-172.1	-178.5	0	0	0	0	0	112.8	D200 L201	D200-G329 WeakPolarHBondContact OD1-CA 3.47Å; D200-G329 PolarHBondContact OD1-N 3.13Å; L201-G329 WeakPolarHBondContact CB-O 3.45Å; L201-G329 PolarHBondContact N-O 3.03Å
330	E	96	Very high	93.1	Very high	122 Å²	122	79.7 Å²	79.7	57%	0.57	42%	0.417	S	S	*	.	S	Bend	trans	-69.6	-33.3	-175.8	-70.2	175.9	174.9	0	0	113.1	N199 E290 M291	N199-E330 HydrophobicContact CB-CG 3.86Å; N199-E330 WeakPolarHBondContact O-CG 3.21Å; E290-E330 WeakPolarHBondContact CA-O 3.45Å; M291-E330 PolarHBondContact N-O 2.84Å
331	S	97	Very high	92.7	Very high	65 Å²	65	86.5 Å²	86.5	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.7	-177.6	62.3	0	0	0	0	113	I289	I289-S331 CarbonylContact O-C 3.56Å; I289-S331 VanDerWaalsContact O-CA 3.26Å; I289-S331 WeakPolarHBondContact O-CA 3.34Å
332	V	97.3	Very high	92.6	Very high	27 Å²	27	91.5 Å²	91.5	16%	0.164	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	178.9	174.9	0	0	0	0	109.4	L201 V288 I289 F327	L201-V332 HydrophobicContact CD1-CB 4.34Å; L201-V332 HydrophobicContact CD1-CG2 3.78Å; V288-V332 WeakPolarHBondContact CA-O 3.33Å; I289-V332 PolarHBondContact N-O 3.23Å; I289-V332 PolarHBondContact O-N 2.85Å; F327-V332 HydrophobicContact CB-CG2 4.14Å; F327-V332 HydrophobicContact CD1-CB 4.32Å; F327-V332 HydrophobicContact CD1-CG1 3.91Å; F327-V332 HydrophobicContact CD1-CG2 4.11Å; F327-V332 HydrophobicContact CE1-CG1 4.09Å; F327-V332 HydrophobicContact CG-CG2 4.18Å
333	V	97.6	Very high	92.6	Very high	72 Å²	72	89.9 Å²	89.9	44%	0.436	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.1	172.2	-178.2	0	0	0	0	109.6	A286 P287 V288 N335	A286-V333 HydrophobicContact CB-CG1 3.67Å; P287-V333 WeakPolarHBondContact O-CA 3.35Å; V288-V333 HydrophobicContact CG2-CG2 4.21Å; V333-N335 PolarHBondContact O-N 3.14Å
334	V	96.2	Very high	92.9	Very high	11 Å²	11	96.3 Å²	96.3	7%	0.067	50%	0.497	C	S	.	.			trans	-95.5	95.2	178	-174.8	0	0	0	0	109.8	P287 I289 Q315 V337	P287-V334 HydrophobicContact CB-CB 4.21Å; P287-V334 PolarHBondContact O-N 2.76Å; I289-V334 HydrophobicContact CD1-CG2 3.61Å; I289-V334 HydrophobicContact CG1-CG2 4.33Å; Q315-V334 HydrophobicContact CG-CG1 4.09Å; Q315-V334 PolarHBondContact NE2-O 2.8Å; V334-V337 HydrophobicContact CG1-CG2 3.61Å
335	N	93.6	Very high	93.2	Very high	138 Å²	138	97.4 Å²	97.4	74%	0.738	51%	0.506	S	S	*	.			trans	-71.9	-43.3	-175.5	-68.9	-33.7	0	0	0	114.1	Q315 V333	Q315-N335 PolarHBondContact NE2-O 2.66Å; V333-N335 PolarHBondContact O-N 3.14Å
336	E	92.1	Very high	93.3	Very high	147 Å²	147	92 Å²	92	69%	0.687	48%	0.477	S	S	*	.			trans	-159.8	145	178.3	-171.3	176.7	-175.8	0	0	109.8
337	V	89.6	Confident	93.3	Very high	37 Å²	37	87.8 Å²	87.8	22%	0.224	46%	0.455	C	S	.	.			trans	-131.6	109.5	168.2	-175.2	0	0	0	0	108	K318 Q322 V334	K318-V337 HydrophobicContact CB-CB 4.09Å; K318-V337 HydrophobicContact CB-CG1 4.1Å; K318-V337 HydrophobicContact CB-CG2 4.18Å; Q322-V337 HydrophobicContact CB-CG1 4.13Å; Q322-V337 HydrophobicContact CG-CG1 4.49Å; V334-V337 HydrophobicContact CG1-CG2 3.61Å
338	K	88.9	Confident	93.2	Very high	151 Å²	151	87.3 Å²	87.3	66%	0.657	45%	0.453	S	S	*	.			trans	-116.4	111.9	-175.4	-174	175.6	-179.7	177.7	0	111	L340	K338-L340 PolarHBondContact O-N 2.62Å
339	P	84.3	Confident	93.2	Very high	75 Å²	75	82 Å²	82	49%	0.487	44%	0.444	S	S	.	.			trans	-65.8	131.6	170	27.5	-32.1	0	0	0	109.6
340	L	85.1	Confident	93	Very high	158 Å²	158	83.6 Å²	83.6	83%	0.827	44%	0.444	S	S	*	.	S	Bend	trans	-81.8	-33.4	-178.4	-61.5	-179.3	0	0	0	112.6	K338	K338-L340 PolarHBondContact O-N 2.62Å
341	L	88.1	Confident	92.9	Very high	144 Å²	144	78.5 Å²	78.5	75%	0.754	42%	0.42	S	S	*	.	S	Bend	trans	-139.1	143.4	-179.1	-68.3	172.1	0	0	0	109.9
342	P	92.7	Very high	92.8	Very high	114 Å²	114	75.6 Å²	75.6	74%	0.74	40%	0.4	S	S	*	.			trans	-66.3	149.5	168.9	29.6	-33.8	0	0	0	110.4
343	R	93.4	Very high	92.6	Very high	48 Å²	48	79 Å²	79	18%	0.181	41%	0.409	C	S	.	.			trans	-67.2	156.4	172.7	-62.4	-58.4	-63.1	-90.4	1.8	111.1	D347 M533 D535 F568	R343-D347 IonicContact CZ-OD1 3.41Å; R343-D347 IonicContact CZ-OD2 2.76Å; R343-D347 VanDerWaalsContact NE-CG 3.26Å; R343-D347 IonicContact NE-OD1 2.73Å; R343-D347 PolarHBondContact NE-OD1 2.78Å; R343-D347 VanDerWaalsContact NE-OD1 3.1Å; R343-D347 IonicContact NE-OD2 3.91Å; R343-D347 PolarHBondContact NE-OD2 3.21Å; R343-D347 VanDerWaalsContact NH2-CG 3.27Å; R343-D347 PolarHBondContact NH2-O 3.19Å; R343-D347 IonicContact NH2-OD1 3.27Å; R343-D347 PolarHBondContact NH2-OD1 2.93Å; R343-D347 IonicContact NH2-OD2 3.8Å; R343-M533 HydrophobicContact CB-CE 4.14Å; R343-M533 VanDerWaalsContact O-CE 3.28Å; R343-M533 WeakPolarHBondContact O-CE 3.48Å; R343-D535 HydrophobicContact CG-CB 3.89Å; R343-D535 VanDerWaalsContact CG-CG 3.5Å; R343-D535 WeakPolarHBondContact CG-OD2 3.44Å; R343-F568 VanDerWaalsContact NH1-CZ 3.32Å
344	K	94.7	Very high	92.4	Very high	153 Å²	153	76.3 Å²	76.3	67%	0.665	39%	0.393	S	S	*	.			trans	-108.3	156.4	174.6	-64.8	179.6	-177	178.3	0	109.7	D347	K344-D347 HydrophobicContact CB-CB 4.27Å; K344-D347 PolarHBondContact N-OD2 3.01Å; K344-D347 PolarHBondContact O-N 3.07Å
345	P	95.2	Very high	92.3	Very high	58 Å²	58	80.8 Å²	80.8	38%	0.377	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-54.2	140.8	169.1	-27.5	37.7	0	0	0	112.2	D347 R532 M533	P345-D347 PolarHBondContact O-N 3.48Å; P345-R532 WeakPolarHBondContact CA-O 3.22Å; P345-M533 HydrophobicContact CB-SD 4.32Å; P345-M533 HydrophobicContact CG-SD 3.88Å
346	Y	94.4	Very high	92.3	Very high	40 Å²	40	78.5 Å²	78.5	16%	0.157	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	19.2	174.5	-43.1	-78.5	0	0	0	115.1	A348 W351 P387 D389 H513 R532	Y346-A348 VanDerWaalsContact C-N 3.29Å; Y346-A348 PolarHBondContact O-N 2.89Å; Y346-W351 HydrophobicContact CD1-CE3 4.33Å; Y346-W351 AromaticContact CD1-CZ3 3.79Å; Y346-W351 HydrophobicContact CD1-CZ3 3.79Å; Y346-P387 HydrophobicContact CD1-CB 4.03Å; Y346-P387 HydrophobicContact CD1-CG 4.27Å; Y346-P387 HydrophobicContact CE1-CB 4.38Å; Y346-D389 WeakPolarHBondContact CE1-OD1 3.46Å; Y346-D389 WeakPolarHBondContact CE1-OD2 3.19Å; Y346-D389 VanDerWaalsContact CZ-OD2 3.25Å; Y346-D389 PolarHBondContact OH-OD2 3.38Å; Y346-H513 AromaticContact CD1-CE1 3.51Å; Y346-H513 AromaticContact CD1-ND1 3.71Å; Y346-H513 AromaticContact CD2-CE1 3.91Å; Y346-H513 AromaticContact CD2-NE2 3.84Å; Y346-H513 AromaticContact CE1-CE1 3.62Å; Y346-H513 AromaticContact CE1-CG 3.95Å; Y346-H513 AromaticContact CE1-ND1 3.29Å; Y346-H513 VanDerWaalsContact CE1-ND1 3.29Å; Y346-H513 WeakPolarHBondContact CE1-ND1 3.35Å; Y346-H513 HydrophobicContact CE2-CB 4.27Å; Y346-H513 AromaticContact CE2-CD2 3.85Å; Y346-H513 AromaticContact CE2-CG 3.76Å; Y346-H513 AromaticContact CE2-ND1 3.88Å; Y346-H513 AromaticContact CG-CE1 3.68Å; Y346-H513 AromaticContact CG-NE2 3.98Å; Y346-H513 AromaticContact CZ-CE1 3.88Å; Y346-H513 AromaticContact CZ-CG 3.53Å; Y346-H513 AromaticContact CZ-ND1 3.39Å; Y346-H513 WeakPolarHBondContact OH-CB 3.4Å; Y346-R532 HydrophobicContact CE1-CG 3.99Å; Y346-R532 HydrophobicContact CE2-CG 4.49Å; Y346-R532 PolarHBondContact N-O 3.1Å
347	D	94.7	Very high	92.4	Very high	43 Å²	43	74.2 Å²	74.2	23%	0.23	38%	0.383	C	S	.	.			trans	-91	17.1	179.3	77	-5.9	0	0	0	113.7	R343 K344 P345	R343-D347 IonicContact CZ-OD1 3.41Å; R343-D347 IonicContact CZ-OD2 2.76Å; R343-D347 VanDerWaalsContact NE-CG 3.26Å; R343-D347 IonicContact NE-OD1 2.73Å; R343-D347 PolarHBondContact NE-OD1 2.78Å; R343-D347 VanDerWaalsContact NE-OD1 3.1Å; R343-D347 IonicContact NE-OD2 3.91Å; R343-D347 PolarHBondContact NE-OD2 3.21Å; R343-D347 VanDerWaalsContact NH2-CG 3.27Å; R343-D347 PolarHBondContact NH2-O 3.19Å; R343-D347 IonicContact NH2-OD1 3.27Å; R343-D347 PolarHBondContact NH2-OD1 2.93Å; R343-D347 IonicContact NH2-OD2 3.8Å; K344-D347 HydrophobicContact CB-CB 4.27Å; K344-D347 PolarHBondContact N-OD2 3.01Å; K344-D347 PolarHBondContact O-N 3.07Å; P345-D347 PolarHBondContact O-N 3.48Å
348	A	95.2	Very high	92.7	Very high	4 Å²	4	72.6 Å²	72.6	3%	0.033	37%	0.373	C	S	.	.			trans	-62.8	127.2	-178.9	0	0	0	0	0	111.4	Y346 N350 W351 A534 T566	Y346-A348 VanDerWaalsContact C-N 3.29Å; Y346-A348 PolarHBondContact O-N 2.89Å; A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 2.85Å; A348-W351 HydrophobicContact CB-CB 4.16Å; A348-W351 HydrophobicContact CB-CD2 3.95Å; A348-W351 HydrophobicContact CB-CE3 4.1Å; A348-W351 HydrophobicContact CB-CG 3.96Å; A348-W351 PolarHBondContact O-N 2.8Å; A348-A534 HydrophobicContact CB-CB 3.91Å; A348-T566 CarbonylContact C-O 3.56Å; A348-T566 HydrophobicContact CB-CG2 4.27Å
349	P	94.3	Very high	93.1	Very high	81 Å²	81	67.2 Å²	67.2	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.1	-179	-29.8	34.5	0	0	0	115.4	W351 T566	P349-W351 VanDerWaalsContact C-N 3.3Å; P349-T566 WeakPolarHBondContact CD-O 3.3Å
350	N	93.3	Very high	93.6	Very high	67 Å²	67	63.7 Å²	63.7	36%	0.358	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.2	-179.7	-76	-2.4	0	0	0	113.5	A348 N385 A564 Q565 T566 G567	A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 2.85Å; N350-N385 WeakPolarHBondContact O-CB 3.47Å; N350-N385 PolarHBondContact O-ND2 3.48Å; N350-A564 PolarHBondContact ND2-O 2.81Å; N350-Q565 WeakPolarHBondContact CB-O 3.47Å; N350-T566 PolarHBondContact N-O 3.46Å; N350-G567 VanDerWaalsContact CG-CA 3.45Å; N350-G567 WeakPolarHBondContact ND2-CA 3.44Å; N350-G567 PolarHBondContact ND2-N 2.61Å
351	W	93.7	Very high	94.1	Very high	15 Å²	15	57 Å²	57	6%	0.057	30%	0.299	C	S	.	.	S	Bend	trans	-96.7	143.3	175.8	-72.4	0.2	0	0	0	111	Y346 A348 P349 R353 N385 P387 A526 S531	Y346-W351 HydrophobicContact CD1-CE3 4.33Å; Y346-W351 AromaticContact CD1-CZ3 3.79Å; Y346-W351 HydrophobicContact CD1-CZ3 3.79Å; A348-W351 HydrophobicContact CB-CB 4.16Å; A348-W351 HydrophobicContact CB-CD2 3.95Å; A348-W351 HydrophobicContact CB-CE3 4.1Å; A348-W351 HydrophobicContact CB-CG 3.96Å; A348-W351 PolarHBondContact O-N 2.8Å; P349-W351 VanDerWaalsContact C-N 3.3Å; W351-R353 PolarHBondContact O-N 2.91Å; W351-N385 WeakPolarHBondContact CA-O 3.33Å; W351-P387 HydrophobicContact CD2-CB 4.31Å; W351-P387 HydrophobicContact CE3-CB 3.82Å; W351-P387 HydrophobicContact CE3-CG 4.38Å; W351-P387 HydrophobicContact CH2-CB 4.12Å; W351-P387 HydrophobicContact CZ3-CB 3.75Å; W351-A526 HydrophobicContact CZ2-CB 4.41Å; W351-S531 WeakPolarHBondContact CH2-O 3.23Å; W351-S531 WeakPolarHBondContact CH2-OG 3.36Å; W351-S531 WeakPolarHBondContact CZ2-OG 3.31Å
352	V	93.6	Very high	94.4	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.4	130.3	168.5	-176.2	0	0	0	0	107.9	T354 V358 L363 L384 N385 L386 F508	V352-T354 PolarHBondContact O-N 3.06Å; V352-V358 HydrophobicContact CG1-CB 4.31Å; V352-V358 HydrophobicContact CG1-CG1 4.49Å; V352-V358 HydrophobicContact CG1-CG2 4.01Å; V352-L363 HydrophobicContact CG1-CD2 4.42Å; V352-L363 HydrophobicContact CG2-CD2 3.89Å; V352-L384 HydrophobicContact CG2-CB 4.07Å; V352-L384 HydrophobicContact CG2-CD2 3.92Å; V352-N385 PolarHBondContact N-O 3.5Å; V352-L386 HydrophobicContact CB-CD2 3.91Å; V352-L386 HydrophobicContact CG1-CD2 4.43Å; V352-L386 HydrophobicContact CG2-CD2 4.26Å; V352-F508 HydrophobicContact CG1-CD2 3.79Å; V352-F508 HydrophobicContact CG1-CE2 3.86Å
353	R	93.7	Very high	94.5	Very high	97 Å²	97	50.1 Å²	50.1	37%	0.366	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-65.2	135.7	179.1	-56.4	-180	115.3	-111.1	1.4	110.3	W351 D355 V358	W351-R353 PolarHBondContact O-N 2.91Å; R353-D355 WeakPolarHBondContact CB-OD1 3.36Å; R353-D355 IonicContact CZ-OD1 2.72Å; R353-D355 IonicContact CZ-OD2 3.84Å; R353-D355 IonicContact NH1-OD1 2.79Å; R353-D355 PolarHBondContact NH1-OD1 2.73Å; R353-D355 IonicContact NH1-OD2 3.05Å; R353-D355 PolarHBondContact NH1-OD2 3.1Å; R353-V358 HydrophobicContact CB-CG2 3.74Å; R353-V358 HydrophobicContact CG-CG2 4.47Å; R353-V358 WeakPolarHBondContact O-CG2 3.47Å
354	T	92.9	Very high	94.5	Very high	16 Å²	16	51.4 Å²	51.4	10%	0.098	26%	0.261	C	S	.	.	S	Bend	trans	-110.8	10.9	-179.9	59.1	0	0	0	0	112.1	V352 P387 L390 F508 S509 H513	V352-T354 PolarHBondContact O-N 3.06Å; T354-P387 HydrophobicContact CG2-CG 4.01Å; T354-L390 HydrophobicContact CG2-CD1 4.28Å; T354-L390 HydrophobicContact CG2-CD2 3.97Å; T354-F508 HydrophobicContact CG2-CB 4.09Å; T354-S509 VanDerWaalsContact O-CA 3.3Å; T354-S509 WeakPolarHBondContact O-CA 3.14Å; T354-H513 PolarHBondContact OG1-CE1 2.84Å; T354-H513 PolarHBondContact OG1-NE2 3.23Å
355	D	94	Very high	94.2	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	26%	0.263	S	S	*	.	S	Bend	trans	-99.2	-13.1	179.6	66.2	-27.1	0	0	0	113.5	R353	R353-D355 WeakPolarHBondContact CB-OD1 3.36Å; R353-D355 IonicContact CZ-OD1 2.72Å; R353-D355 IonicContact CZ-OD2 3.84Å; R353-D355 IonicContact NH1-OD1 2.79Å; R353-D355 PolarHBondContact NH1-OD1 2.73Å; R353-D355 IonicContact NH1-OD2 3.05Å; R353-D355 PolarHBondContact NH1-OD2 3.1Å
356	R	95	Very high	93.9	Very high	90 Å²	90	53.6 Å²	53.6	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	-159.6	167.7	-179.2	63.1	174.8	178.8	93.2	-2.1	111.5	V358 E362	R356-V358 PolarHBondContact O-N 2.77Å; R356-E362 IonicContact CZ-OE1 3.84Å; R356-E362 IonicContact CZ-OE2 3.71Å; R356-E362 IonicContact NH1-OE1 3.62Å; R356-E362 PolarHBondContact NH1-OE1 2.78Å; R356-E362 IonicContact NH1-OE2 2.7Å; R356-E362 VanDerWaalsContact NH2-CD 3.3Å; R356-E362 IonicContact NH2-OE1 3.19Å; R356-E362 PolarHBondContact NH2-OE1 2.8Å; R356-E362 VanDerWaalsContact NH2-OE1 3.1Å; R356-E362 IonicContact NH2-OE2 2.85Å; R356-E362 PolarHBondContact NH2-OE2 2.78Å
357	P	94.7	Very high	93.6	Very high	57 Å²	57	59.9 Å²	59.9	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.5	162.8	-23.4	33	0	0	0	111.7	D507	P357-D507 HydrophobicContact CB-CB 4.24Å; P357-D507 HydrophobicContact CG-CB 4.14Å
358	V	95.1	Very high	93.4	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.8	179.9	-178.5	0	0	0	0	108.8	V352 R353 R356 E362 L363 T505 I506	V352-V358 HydrophobicContact CG1-CB 4.31Å; V352-V358 HydrophobicContact CG1-CG1 4.49Å; V352-V358 HydrophobicContact CG1-CG2 4.01Å; R353-V358 HydrophobicContact CB-CG2 3.74Å; R353-V358 HydrophobicContact CG-CG2 4.47Å; R353-V358 WeakPolarHBondContact O-CG2 3.47Å; R356-V358 PolarHBondContact O-N 2.77Å; V358-E362 HydrophobicContact CG1-CB 3.97Å; V358-L363 HydrophobicContact CG1-CD1 4.33Å; V358-L363 HydrophobicContact CG1-CD2 3.99Å; V358-L363 HydrophobicContact CG1-CG 3.97Å; V358-T505 CarbonylContact O-C 3.54Å; V358-T505 VanDerWaalsContact O-CA 3.24Å; V358-T505 WeakPolarHBondContact O-CA 3.38Å; V358-I506 HydrophobicContact CB-CG2 4.36Å; V358-I506 PolarHBondContact N-O 3.32Å; V358-I506 PolarHBondContact O-N 3.48Å
359	T	96.7	Very high	93.4	Very high	39 Å²	39	64.3 Å²	64.3	24%	0.239	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	154	177.5	84.4	0	0	0	0	111.5	G361 E362 D502 S504 T505	T359-G361 PolarHBondContact O-N 3.38Å; T359-G361 PolarHBondContact OG1-N 3.43Å; T359-E362 WeakPolarHBondContact O-CB 3.41Å; T359-E362 PolarHBondContact O-N 3.43Å; T359-E362 PolarHBondContact OG1-N 3.45Å; T359-D502 WeakPolarHBondContact CB-O 3.19Å; T359-D502 PolarHBondContact OG1-O 2.81Å; T359-S504 CarbonylContact C-O 3.4Å; T359-S504 WeakPolarHBondContact CA-O 3.21Å; T359-T505 HydrophobicContact CG2-CG2 4.16Å
360	F	95	Very high	93.5	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-28.3	176.2	-77.8	21.2	0	0	0	111.3	E362 L363 K364 L370 V382 L470 F472 I500 D502 S504 I506	F360-E362 PolarHBondContact O-N 3.38Å; F360-L363 HydrophobicContact CD1-CD1 4.28Å; F360-L363 PolarHBondContact O-N 2.87Å; F360-K364 PolarHBondContact O-N 3.12Å; F360-L370 HydrophobicContact CB-CD1 3.74Å; F360-L370 HydrophobicContact CB-CD2 4.48Å; F360-V382 HydrophobicContact CD2-CG2 3.96Å; F360-V382 HydrophobicContact CE2-CG2 4.18Å; F360-L470 HydrophobicContact CE2-CD2 4.23Å; F360-L470 HydrophobicContact CZ-CD2 3.74Å; F360-F472 AromaticContact CE2-CE2 3.8Å; F360-F472 HydrophobicContact CE2-CE2 3.8Å; F360-F472 AromaticContact CE2-CZ 3.64Å; F360-F472 HydrophobicContact CE2-CZ 3.64Å; F360-F472 HydrophobicContact CZ-CZ 4.14Å; F360-I500 HydrophobicContact CD2-CG2 3.62Å; F360-I500 HydrophobicContact CE2-CG2 3.97Å; F360-D502 PolarHBondContact N-O 2.95Å; F360-S504 PolarHBondContact N-O 2.93Å; F360-I506 HydrophobicContact CE1-CB 4.15Å; F360-I506 HydrophobicContact CE1-CG2 4.22Å
361	G	95.9	Very high	93.5	Very high	17 Å²	17	61.9 Å²	61.9	18%	0.175	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-25.6	170.9	0	0	0	0	0	114	T359 K364 D502	T359-G361 PolarHBondContact O-N 3.38Å; T359-G361 PolarHBondContact OG1-N 3.43Å; G361-K364 WeakPolarHBondContact O-CG 3.38Å; G361-D502 PolarHBondContact N-O 3Å
362	E	95.2	Very high	93.6	Very high	87 Å²	87	62.2 Å²	62.2	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-78.4	-21.1	171.6	-66.4	-179.1	-133.2	0	0	112.6	R356 V358 T359 F360	R356-E362 IonicContact CZ-OE1 3.84Å; R356-E362 IonicContact CZ-OE2 3.71Å; R356-E362 IonicContact NH1-OE1 3.62Å; R356-E362 PolarHBondContact NH1-OE1 2.78Å; R356-E362 IonicContact NH1-OE2 2.7Å; R356-E362 VanDerWaalsContact NH2-CD 3.3Å; R356-E362 IonicContact NH2-OE1 3.19Å; R356-E362 PolarHBondContact NH2-OE1 2.8Å; R356-E362 VanDerWaalsContact NH2-OE1 3.1Å; R356-E362 IonicContact NH2-OE2 2.85Å; R356-E362 PolarHBondContact NH2-OE2 2.78Å; V358-E362 HydrophobicContact CG1-CB 3.97Å; T359-E362 WeakPolarHBondContact O-CB 3.41Å; T359-E362 PolarHBondContact O-N 3.43Å; T359-E362 PolarHBondContact OG1-N 3.45Å; F360-E362 PolarHBondContact O-N 3.38Å
363	L	93.7	Very high	93.5	Very high	26 Å²	26	65 Å²	65	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-96.2	-5.9	-175.6	-61.5	172.6	0	0	0	113.4	V352 V358 F360 V382 L384 I506	V352-L363 HydrophobicContact CG1-CD2 4.42Å; V352-L363 HydrophobicContact CG2-CD2 3.89Å; V358-L363 HydrophobicContact CG1-CD1 4.33Å; V358-L363 HydrophobicContact CG1-CD2 3.99Å; V358-L363 HydrophobicContact CG1-CG 3.97Å; F360-L363 HydrophobicContact CD1-CD1 4.28Å; F360-L363 PolarHBondContact O-N 2.87Å; L363-V382 HydrophobicContact CB-CG1 3.97Å; L363-V382 HydrophobicContact CD1-CG1 3.93Å; L363-L384 HydrophobicContact CD1-CD2 3.45Å; L363-L384 VanDerWaalsContact CD1-CD2 3.45Å; L363-L384 HydrophobicContact CD2-CD2 4.48Å; L363-I506 HydrophobicContact CD1-CG2 4.15Å
364	K	92.9	Very high	93.3	Very high	75 Å²	75	61 Å²	61	33%	0.326	31%	0.314	S	S	.	.			trans	-72.1	141.8	178.7	76	-169.9	174.3	-176.6	0	111.5	F360 G361 Q369 D502	F360-K364 PolarHBondContact O-N 3.12Å; G361-K364 WeakPolarHBondContact O-CG 3.38Å; K364-Q369 VanDerWaalsContact CA-OE1 3.25Å; K364-Q369 HydrophobicContact CB-CB 4.44Å; K364-D502 IonicContact NZ-OD2 3.19Å; K364-D502 PolarHBondContact NZ-OD2 3.14Å
365	T	88.8	Confident	93	Very high	118 Å²	118	61.7 Å²	61.7	72%	0.724	32%	0.317	S	S	*	.	S	Bend	trans	-101.7	-17.1	174.3	59.7	0	0	0	0	112.1	Q369	T365-Q369 PolarHBondContact OG1-OE1 2.85Å; T365-Q369 VanDerWaalsContact OG1-OE1 3.12Å
366	Y	89.3	Confident	92.6	Very high	139 Å²	139	61.6 Å²	61.6	55%	0.545	31%	0.313	S	S	.	.	S	Bend	trans	-147.2	159.9	171.9	61.7	-82.7	0	0	0	111.1	E368 Q369	Y366-E368 HydrophobicContact CD2-CB 4.43Å; Y366-E368 HydrophobicContact CE2-CB 4.48Å; Y366-E368 PolarHBondContact O-N 2.57Å; Y366-Q369 HydrophobicContact CD1-CB 3.88Å; Y366-Q369 HydrophobicContact CD1-CG 4.24Å; Y366-Q369 HydrophobicContact CD2-CB 3.9Å; Y366-Q369 HydrophobicContact CE1-CB 3.59Å; Y366-Q369 HydrophobicContact CE1-CG 3.6Å; Y366-Q369 HydrophobicContact CE2-CB 3.62Å; Y366-Q369 HydrophobicContact CE2-CG 4.36Å; Y366-Q369 VanDerWaalsContact CE2-N 3.26Å; Y366-Q369 HydrophobicContact CG-CB 4.02Å; Y366-Q369 VanDerWaalsContact CZ-CB 3.44Å; Y366-Q369 WeakPolarHBondContact O-CB 3.47Å; Y366-Q369 PolarHBondContact O-N 3.06Å
367	E	88	Confident	92.4	Very high	173 Å²	173	57.9 Å²	57.9	81%	0.808	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-43.8	-168.6	-172.5	170.3	-174.7	0	0	113.5	Q369	E367-Q369 VanDerWaalsContact C-N 3.33Å; E367-Q369 PolarHBondContact O-N 2.72Å
368	E	90.8	Very high	92.3	Very high	126 Å²	126	58.4 Å²	58.4	59%	0.589	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	10.9	-175.5	-54.9	-169.1	149.9	0	0	114.1	Y366 L370 Q371	Y366-E368 HydrophobicContact CD2-CB 4.43Å; Y366-E368 HydrophobicContact CE2-CB 4.48Å; Y366-E368 PolarHBondContact O-N 2.57Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.13Å; E368-Q371 HydrophobicContact CB-CG 4.07Å; E368-Q371 WeakPolarHBondContact O-CG 3.4Å; E368-Q371 PolarHBondContact O-N 2.88Å
369	Q	94.4	Very high	92.1	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.065	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.6	-172	-177.7	175.6	-7.4	0	0	114.4	K364 T365 Y366 E367 Q371 N381	K364-Q369 VanDerWaalsContact CA-OE1 3.25Å; K364-Q369 HydrophobicContact CB-CB 4.44Å; T365-Q369 PolarHBondContact OG1-OE1 2.85Å; T365-Q369 VanDerWaalsContact OG1-OE1 3.12Å; Y366-Q369 HydrophobicContact CD1-CB 3.88Å; Y366-Q369 HydrophobicContact CD1-CG 4.24Å; Y366-Q369 HydrophobicContact CD2-CB 3.9Å; Y366-Q369 HydrophobicContact CE1-CB 3.59Å; Y366-Q369 HydrophobicContact CE1-CG 3.6Å; Y366-Q369 HydrophobicContact CE2-CB 3.62Å; Y366-Q369 HydrophobicContact CE2-CG 4.36Å; Y366-Q369 VanDerWaalsContact CE2-N 3.26Å; Y366-Q369 HydrophobicContact CG-CB 4.02Å; Y366-Q369 VanDerWaalsContact CZ-CB 3.44Å; Y366-Q369 WeakPolarHBondContact O-CB 3.47Å; Y366-Q369 PolarHBondContact O-N 3.06Å; E367-Q369 VanDerWaalsContact C-N 3.33Å; E367-Q369 PolarHBondContact O-N 2.72Å; Q369-Q371 VanDerWaalsContact C-N 3.26Å; Q369-Q371 PolarHBondContact O-N 3.1Å; Q369-N381 PolarHBondContact NE2-O 3.07Å
370	L	96	Very high	92.1	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	17.8	-175.6	-58.3	-179.4	0	0	0	112.7	F360 E368 I380 V382 V499 I500	F360-L370 HydrophobicContact CB-CD1 3.74Å; F360-L370 HydrophobicContact CB-CD2 4.48Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.13Å; L370-I380 HydrophobicContact CD2-CG2 4.1Å; L370-I380 WeakPolarHBondContact O-CD1 3.15Å; L370-V382 HydrophobicContact CD2-CG2 3.59Å; L370-V499 CarbonylContact O-C 3.52Å; L370-V499 WeakPolarHBondContact O-CA 3.48Å; L370-I500 HydrophobicContact CB-CB 4.39Å; L370-I500 WeakPolarHBondContact CB-O 3.2Å; L370-I500 PolarHBondContact O-N 2.8Å
371	Q	95.3	Very high	92	Very high	92 Å²	92	60 Å²	60	43%	0.43	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.5	177.6	60.6	179.4	12.7	0	0	111.8	E368 Q369 V498 V499	E368-Q371 HydrophobicContact CB-CG 4.07Å; E368-Q371 WeakPolarHBondContact O-CG 3.4Å; E368-Q371 PolarHBondContact O-N 2.88Å; Q369-Q371 VanDerWaalsContact C-N 3.26Å; Q369-Q371 PolarHBondContact O-N 3.1Å; Q371-V498 CarbonylContact C-O 3.52Å; Q371-V498 VanDerWaalsContact CA-O 3.24Å; Q371-V498 WeakPolarHBondContact CA-O 3.35Å; Q371-V499 HydrophobicContact CB-CB 4.47Å; Q371-V499 HydrophobicContact CB-CG1 4.44Å; Q371-V499 HydrophobicContact CB-CG2 3.92Å
372	S	94.2	Very high	91.9	Very high	22 Å²	22	59.2 Å²	59.2	15%	0.154	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.8	179.7	-175	0	0	0	0	110.7	A378 V498	S372-A378 WeakPolarHBondContact CB-O 3.2Å; S372-A378 WeakPolarHBondContact OG-CA 3.39Å; S372-A378 PolarHBondContact OG-N 2.77Å; S372-A378 PolarHBondContact OG-O 2.81Å; S372-V498 PolarHBondContact N-O 3.16Å; S372-V498 WeakPolarHBondContact O-CG2 3.39Å; S372-V498 PolarHBondContact O-N 2.86Å
373	S	92.3	Very high	91.7	Very high	62 Å²	62	57.6 Å²	57.6	43%	0.434	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.7	178.2	65.4	0	0	0	0	112.7	N496	S373-N496 CarbonylContact C-O 3.57Å; S373-N496 WeakPolarHBondContact CA-O 3.31Å
374	G	89.5	Confident	91.6	Very high	14 Å²	14	56.4 Å²	56.4	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.9	175.6	179.4	0	0	0	0	0	112.7	E376 N496	G374-E376 VanDerWaalsContact C-N 3.33Å; G374-N496 PolarHBondContact N-O 2.94Å; G374-N496 WeakPolarHBondContact O-CA 3.15Å; G374-N496 VanDerWaalsContact O-CB 3.29Å; G374-N496 WeakPolarHBondContact O-CB 3.38Å; G374-N496 PolarHBondContact O-N 2.96Å
375	L	86.5	Confident	91.6	Very high	31 Å²	31	54.7 Å²	54.7	16%	0.162	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-42.6	166.5	-74.5	170.1	0	0	0	110.4	N478 M480 P493 N496	L375-N478 PolarHBondContact O-ND2 2.85Å; L375-M480 HydrophobicContact CD1-CE 4.02Å; L375-M480 HydrophobicContact CD2-CE 4.44Å; L375-P493 HydrophobicContact CD1-CB 3.82Å; L375-P493 HydrophobicContact CD1-CG 4.41Å; L375-P493 HydrophobicContact CD2-CB 3.69Å; L375-P493 HydrophobicContact CG-CB 4.21Å; L375-N496 PolarHBondContact O-ND2 2.8Å
376	E	86	Confident	91.7	Very high	102 Å²	102	49.2 Å²	49.2	48%	0.477	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	91	164.3	-65.8	177.9	169.7	0	0	107.5	I80 G374 A378	I80-E376 WeakPolarHBondContact CD1-OE1 3.45Å; G374-E376 VanDerWaalsContact C-N 3.33Å; E376-A378 PolarHBondContact O-N 2.86Å
377	P	90.9	Very high	91.8	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.084	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	138.4	176.2	-24	34.3	0	0	0	111.1	Y476 N496 V498	P377-Y476 HydrophobicContact CG-CD2 4.35Å; P377-Y476 HydrophobicContact CG-CE2 4.16Å; P377-N496 HydrophobicContact CG-CB 4.03Å; P377-V498 HydrophobicContact CB-CG2 3.79Å; P377-V498 HydrophobicContact CG-CG1 4.32Å; P377-V498 HydrophobicContact CG-CG2 4.31Å
378	A	91	Very high	92	Very high	68 Å²	68	34.8 Å²	34.8	56%	0.562	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-60.7	148.3	171.9	0	0	0	0	0	111.1	S372 E376	S372-A378 WeakPolarHBondContact CB-O 3.2Å; S372-A378 WeakPolarHBondContact OG-CA 3.39Å; S372-A378 PolarHBondContact OG-N 2.77Å; S372-A378 PolarHBondContact OG-O 2.81Å; E376-A378 PolarHBondContact O-N 2.86Å
379	A	92.9	Very high	92	Very high	23 Å²	23	28.8 Å²	28.8	19%	0.19	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-63	135.9	179.9	0	0	0	0	0	112.1	N381 R471 F472 D473	A379-N381 PolarHBondContact O-ND2 3.03Å; A379-R471 HydrophobicContact CB-CG 3.81Å; A379-F472 WeakPolarHBondContact CA-O 3.17Å; A379-D473 VanDerWaalsContact CB-OD1 3.22Å; A379-D473 WeakPolarHBondContact CB-OD1 3.39Å
380	I	94.8	Very high	91.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.6	173.2	-67.9	165.8	0	0	0	108	L370 R471 F472 F474 V498 I500	L370-I380 HydrophobicContact CD2-CG2 4.1Å; L370-I380 WeakPolarHBondContact O-CD1 3.15Å; I380-R471 WeakPolarHBondContact O-CA 3.25Å; I380-F472 HydrophobicContact CB-CB 4.24Å; I380-F472 HydrophobicContact CB-CD2 4.47Å; I380-F472 HydrophobicContact CG2-CD2 4.23Å; I380-F472 PolarHBondContact N-O 3.29Å; I380-F472 PolarHBondContact O-N 3.31Å; I380-F474 HydrophobicContact CD1-CE2 4.09Å; I380-V498 HydrophobicContact CD1-CG2 4.09Å; I380-I500 HydrophobicContact CD1-CG1 4.03Å; I380-I500 HydrophobicContact CG2-CG1 4.11Å
381	N	93.8	Very high	91.3	Very high	51 Å²	51	29.1 Å²	29.1	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	-175.6	-64.7	-72.6	0	0	0	111	Q369 A379 Q469 L470 R471	Q369-N381 PolarHBondContact NE2-O 3.07Å; A379-N381 PolarHBondContact O-ND2 3.03Å; N381-Q469 HydrophobicContact CB-CG 4.49Å; N381-Q469 VanDerWaalsContact CG-NE2 3.31Å; N381-Q469 PolarHBondContact OD1-NE2 2.92Å; N381-L470 CarbonylContact C-O 3.44Å; N381-L470 WeakPolarHBondContact CA-O 3.45Å; N381-R471 WeakPolarHBondContact OD1-CG 3.38Å
382	V	93.4	Very high	90.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.9	174.4	-176.7	0	0	0	0	108.9	F360 L363 L370 L384 L470 F472	F360-V382 HydrophobicContact CD2-CG2 3.96Å; F360-V382 HydrophobicContact CE2-CG2 4.18Å; L363-V382 HydrophobicContact CB-CG1 3.97Å; L363-V382 HydrophobicContact CD1-CG1 3.93Å; L370-V382 HydrophobicContact CD2-CG2 3.59Å; V382-L384 HydrophobicContact CG1-CD2 4.34Å; V382-L470 HydrophobicContact CB-CB 4.38Å; V382-L470 PolarHBondContact N-O 3.37Å; V382-L470 PolarHBondContact O-N 2.84Å; V382-F472 HydrophobicContact CG2-CE2 4.22Å
383	S	92.2	Very high	89	Confident	53 Å²	53	27.6 Å²	27.6	37%	0.371	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	179.4	-64.2	0	0	0	0	110.7	N468	S383-N468 CarbonylContact C-O 3.57Å; S383-N468 WeakPolarHBondContact CA-O 3.49Å
384	L	91.5	Very high	87.5	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105	-178.8	-57.1	170.8	0	0	0	109	V352 L363 V382 N468 I506	V352-L384 HydrophobicContact CG2-CB 4.07Å; V352-L384 HydrophobicContact CG2-CD2 3.92Å; L363-L384 HydrophobicContact CD1-CD2 3.45Å; L363-L384 VanDerWaalsContact CD1-CD2 3.45Å; L363-L384 HydrophobicContact CD2-CD2 4.48Å; V382-L384 HydrophobicContact CG1-CD2 4.34Å; L384-N468 HydrophobicContact CB-CB 4.1Å; L384-N468 PolarHBondContact N-O 3.4Å; L384-N468 WeakPolarHBondContact O-CB 3.34Å; L384-N468 PolarHBondContact O-N 3.11Å; L384-N468 PolarHBondContact O-ND2 3.5Å; L384-I506 HydrophobicContact CD1-CD1 3.75Å; L384-I506 HydrophobicContact CD2-CD1 4.38Å; L384-I506 HydrophobicContact CD2-CG2 4.46Å
385	N	91.4	Very high	86.1	Confident	39 Å²	39	30.7 Å²	30.7	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	107.8	173.2	-66.1	-26.5	0	0	0	108.9	N350 W351 V352 T467	N350-N385 WeakPolarHBondContact O-CB 3.47Å; N350-N385 PolarHBondContact O-ND2 3.48Å; W351-N385 WeakPolarHBondContact CA-O 3.33Å; V352-N385 PolarHBondContact N-O 3.5Å; N385-T467 WeakPolarHBondContact OD1-CA 3.39Å; N385-T467 VanDerWaalsContact OD1-CB 3.3Å; N385-T467 WeakPolarHBondContact OD1-CB 3.1Å; N385-T467 WeakPolarHBondContact OD1-CG2 3.42Å; N385-T467 PolarHBondContact OD1-OG1 2.86Å
386	L	91.1	Very high	84.8	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	19%	0.191	C	C	.	.			trans	-103.2	143.2	-177.2	-65.2	169.8	0	0	0	110.9	V352 L390 L462 G465 F508	V352-L386 HydrophobicContact CB-CD2 3.91Å; V352-L386 HydrophobicContact CG1-CD2 4.43Å; V352-L386 HydrophobicContact CG2-CD2 4.26Å; L386-L390 HydrophobicContact CB-CD1 4.07Å; L386-L390 HydrophobicContact CD1-CD1 4.41Å; L386-L390 HydrophobicContact CD2-CD1 3.98Å; L386-L390 HydrophobicContact CG-CD1 4.38Å; L386-L462 HydrophobicContact CD1-CD2 3.86Å; L386-G465 PolarHBondContact O-N 2.94Å; L386-F508 HydrophobicContact CD1-CD1 4.47Å; L386-F508 HydrophobicContact CD1-CE1 3.59Å; L386-F508 HydrophobicContact CD1-CZ 3.77Å; L386-F508 HydrophobicContact CD2-CD1 3.91Å; L386-F508 HydrophobicContact CD2-CD2 3.98Å; L386-F508 HydrophobicContact CD2-CE1 3.6Å; L386-F508 HydrophobicContact CD2-CE2 3.71Å; L386-F508 HydrophobicContact CD2-CG 4.08Å; L386-F508 HydrophobicContact CD2-CZ 3.52Å; L386-F508 HydrophobicContact CG-CE1 4.27Å; L386-F508 HydrophobicContact CG-CZ 4.22Å
387	P	92.5	Very high	84.2	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.169	C	C	.	.			trans	-60.4	144.6	171.7	23.5	-28.7	0	0	0	110.1	Y346 W351 T354 D389 L390	Y346-P387 HydrophobicContact CD1-CB 4.03Å; Y346-P387 HydrophobicContact CD1-CG 4.27Å; Y346-P387 HydrophobicContact CE1-CB 4.38Å; W351-P387 HydrophobicContact CD2-CB 4.31Å; W351-P387 HydrophobicContact CE3-CB 3.82Å; W351-P387 HydrophobicContact CE3-CG 4.38Å; W351-P387 HydrophobicContact CH2-CB 4.12Å; W351-P387 HydrophobicContact CZ3-CB 3.75Å; T354-P387 HydrophobicContact CG2-CG 4.01Å; P387-D389 PolarHBondContact O-N 3.19Å; P387-L390 HydrophobicContact CG-CD1 4.35Å; P387-L390 HydrophobicContact CG-CD2 4.38Å; P387-L390 HydrophobicContact CG-CG 4.05Å
388	P	91	Very high	83.7	Confident	8 Å²	8	28.5 Å²	28.5	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.8	-172.9	27	-33.4	0	0	0	113.5	I515 A522 A526 F528	P388-I515 HydrophobicContact CB-CD1 4.24Å; P388-A522 HydrophobicContact CB-CB 3.84Å; P388-A522 HydrophobicContact CG-CB 3.95Å; P388-A526 HydrophobicContact CG-CB 4.11Å; P388-F528 HydrophobicContact CG-CB 3.44Å; P388-F528 VanDerWaalsContact CG-CB 3.44Å; P388-F528 HydrophobicContact CG-CD1 4.06Å; P388-F528 HydrophobicContact CG-CD2 3.69Å; P388-F528 HydrophobicContact CG-CE2 4.46Å; P388-F528 HydrophobicContact CG-CG 3.44Å; P388-F528 VanDerWaalsContact CG-CG 3.44Å
389	D	91.8	Very high	83.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	15.1	-173.3	66.6	-11.2	0	0	0	114.2	Y346 P387 Y391 H513 F514 I515 F528	Y346-D389 WeakPolarHBondContact CE1-OD1 3.46Å; Y346-D389 WeakPolarHBondContact CE1-OD2 3.19Å; Y346-D389 VanDerWaalsContact CZ-OD2 3.25Å; Y346-D389 PolarHBondContact OH-OD2 3.38Å; P387-D389 PolarHBondContact O-N 3.19Å; D389-Y391 PolarHBondContact O-N 3.07Å; D389-H513 CarbonylContact O-C 3.55Å; D389-H513 WeakPolarHBondContact O-CA 3.42Å; D389-H513 IonicContact OD1-CE1 3.26Å; D389-H513 IonicContact OD1-CG 3.78Å; D389-H513 IonicContact OD1-ND1 3.97Å; D389-H513 PolarHBondContact OD1-ND1 3.44Å; D389-H513 IonicContact OD2-CG 3.64Å; D389-H513 IonicContact OD2-ND1 2.66Å; D389-F514 CarbonylContact O-C 3.6Å; D389-F514 PolarHBondContact O-N 3.33Å; D389-I515 HydrophobicContact CB-CB 3.78Å; D389-I515 HydrophobicContact CB-CG2 3.72Å; D389-F528 HydrophobicContact CB-CE2 4.23Å; D389-F528 HydrophobicContact CB-CZ 3.96Å
390	L	89.2	Confident	83.1	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-68.8	123.9	173.5	-69.8	178	0	0	0	111.9	T354 L386 P387 L392 L464 F508	T354-L390 HydrophobicContact CG2-CD1 4.28Å; T354-L390 HydrophobicContact CG2-CD2 3.97Å; L386-L390 HydrophobicContact CB-CD1 4.07Å; L386-L390 HydrophobicContact CD1-CD1 4.41Å; L386-L390 HydrophobicContact CD2-CD1 3.98Å; L386-L390 HydrophobicContact CG-CD1 4.38Å; P387-L390 HydrophobicContact CG-CD1 4.35Å; P387-L390 HydrophobicContact CG-CD2 4.38Å; P387-L390 HydrophobicContact CG-CG 4.05Å; L390-L392 HydrophobicContact CB-CD2 4.44Å; L390-L392 PolarHBondContact O-N 2.96Å; L390-L464 HydrophobicContact CB-CD2 3.87Å; L390-L464 VanDerWaalsContact O-CD1 3.3Å; L390-L464 WeakPolarHBondContact O-CD1 3.45Å; L390-F508 HydrophobicContact CD1-CD1 4.16Å
391	Y	85.5	Confident	82.9	Confident	23 Å²	23	28 Å²	28	9%	0.09	15%	0.15	C	C	.	.			trans	-81.7	107.7	176.1	-177	-106.3	0	0	0	111.7	D389 M393 Y512 F514 L718 Y726	D389-Y391 PolarHBondContact O-N 3.07Å; Y391-M393 HydrophobicContact CE1-CB 4.28Å; Y391-M393 HydrophobicContact CE2-CB 4.01Å; Y391-M393 HydrophobicContact CE2-CG 3.9Å; Y391-M393 HydrophobicContact CE2-SD 4.16Å; Y391-Y512 WeakPolarHBondContact CB-O 3.19Å; Y391-Y512 PolarHBondContact N-O 3.35Å; Y391-F514 HydrophobicContact CD2-CD1 4.02Å; Y391-F514 HydrophobicContact CE2-CD1 4.5Å; Y391-L718 HydrophobicContact CD1-CD1 3.62Å; Y391-L718 HydrophobicContact CD2-CD1 3.75Å; Y391-L718 HydrophobicContact CE1-CD1 3.98Å; Y391-L718 HydrophobicContact CE2-CD1 4.12Å; Y391-L718 HydrophobicContact CG-CD1 3.47Å; Y391-L718 VanDerWaalsContact CG-CD1 3.47Å; Y391-Y726 AromaticContact CE2-CD2 3.84Å; Y391-Y726 HydrophobicContact CE2-CD2 3.84Å; Y391-Y726 HydrophobicContact CE2-CE2 4.39Å
392	L	77	Confident	82.7	Confident	20 Å²	20	25.6 Å²	25.6	11%	0.105	14%	0.137	C	C	.	.			trans	-101.7	-12.4	-169.2	-74.4	-171.8	0	0	0	115.3	L390 R394 S395 V446 L462 L464 Y511	L390-L392 HydrophobicContact CB-CD2 4.44Å; L390-L392 PolarHBondContact O-N 2.96Å; L392-R394 PolarHBondContact O-N 3.33Å; L392-S395 PolarHBondContact O-N 2.99Å; L392-V446 HydrophobicContact CB-CG1 3.56Å; L392-V446 HydrophobicContact CD1-CG1 3.77Å; L392-V446 HydrophobicContact CD2-CG1 3.96Å; L392-V446 HydrophobicContact CD2-CG2 4.49Å; L392-V446 HydrophobicContact CG-CG1 3.93Å; L392-L462 HydrophobicContact CD1-CB 4.31Å; L392-L462 HydrophobicContact CD1-CD1 4.25Å; L392-L464 HydrophobicContact CD1-CD1 3.94Å; L392-L464 HydrophobicContact CD1-CD2 3.74Å; L392-L464 HydrophobicContact CD1-CG 3.89Å; L392-L464 HydrophobicContact CG-CD1 4.3Å; L392-L464 HydrophobicContact CG-CD2 4.31Å; L392-Y511 HydrophobicContact CD2-CD1 3.7Å; L392-Y511 HydrophobicContact CD2-CE1 3.55Å
393	M	65	Low	82.6	Confident	61 Å²	61	26.5 Å²	26.5	30%	0.3	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.6	-164	-66.5	-164.7	75.1	0	0	116.3	Y391 I628 Y726	Y391-M393 HydrophobicContact CE1-CB 4.28Å; Y391-M393 HydrophobicContact CE2-CB 4.01Å; Y391-M393 HydrophobicContact CE2-CG 3.9Å; Y391-M393 HydrophobicContact CE2-SD 4.16Å; M393-I628 HydrophobicContact CE-CB 4.41Å; M393-I628 HydrophobicContact CE-CD1 4.27Å; M393-I628 HydrophobicContact CE-CG2 3.41Å; M393-I628 VanDerWaalsContact CE-CG2 3.41Å; M393-I628 HydrophobicContact CG-CG2 4.25Å; M393-I628 HydrophobicContact SD-CG2 3.58Å; M393-I628 VanDerWaalsContact SD-CG2 3.58Å; M393-Y726 HydrophobicContact SD-CD2 3.83Å; M393-Y726 HydrophobicContact SD-CE2 3.94Å
394	R	60.3	Low	82.6	Confident	112 Å²	112	25.1 Å²	25.1	42%	0.423	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6	179	-86.3	-138	-130.2	177.5	18.7	115	L392 T396 E722 W725	L392-R394 PolarHBondContact O-N 3.33Å; R394-T396 PolarHBondContact O-N 2.95Å; R394-E722 VanDerWaalsContact CZ-CD 3.43Å; R394-E722 IonicContact CZ-OE1 3.16Å; R394-E722 IonicContact CZ-OE2 3.15Å; R394-E722 IonicContact NE-OE1 3.11Å; R394-E722 PolarHBondContact NE-OE1 2.91Å; R394-E722 VanDerWaalsContact NE-OE1 3.11Å; R394-E722 IonicContact NE-OE2 2.66Å; R394-E722 PolarHBondContact NE-OE2 2.81Å; R394-E722 IonicContact NH1-OE1 3.95Å; R394-E722 IonicContact NH2-OE1 3.09Å; R394-E722 PolarHBondContact NH2-OE1 2.87Å; R394-E722 VanDerWaalsContact NH2-OE1 3.09Å; R394-E722 IonicContact NH2-OE2 2.86Å; R394-E722 PolarHBondContact NH2-OE2 2.92Å; R394-W725 VanDerWaalsContact CZ-CD1 3.48Å
395	S	59.7	Low	82.5	Confident	30 Å²	30	34 Å²	34	21%	0.21	16%	0.162	C	C	.	.			trans	-75.1	124.5	-168.8	106.2	0	0	0	0	110	L392 G397 V446 Y511	L392-S395 PolarHBondContact O-N 2.99Å; S395-G397 PolarHBondContact O-N 2.85Å; S395-G397 PolarHBondContact OG-N 2.82Å; S395-V446 WeakPolarHBondContact OG-CB 3.22Å; S395-V446 WeakPolarHBondContact OG-CG2 3.36Å; S395-Y511 VanDerWaalsContact CB-OH 3.27Å; S395-Y511 WeakPolarHBondContact CB-OH 3.43Å; S395-Y511 WeakPolarHBondContact OG-CE1 3.28Å; S395-Y511 PolarHBondContact OG-OH 2.91Å
396	T	59.9	Low	82.6	Confident	98 Å²	98	33.6 Å²	33.6	60%	0.601	16%	0.158	S	C	*	.	S	Bend	trans	-65.3	0	169.2	159.1	0	0	0	0	112.3	R394 R443	R394-T396 PolarHBondContact O-N 2.95Å; T396-R443 VanDerWaalsContact CB-NH2 3.27Å; T396-R443 WeakPolarHBondContact O-CD 3.2Å; T396-R443 PolarHBondContact O-NE 3.06Å; T396-R443 PolarHBondContact OG1-NE 3.06Å; T396-R443 VanDerWaalsContact OG1-NE 3.16Å; T396-R443 PolarHBondContact OG1-NH1 3.3Å; T396-R443 PolarHBondContact OG1-NH2 3.12Å
397	G	73.2	Confident	82.5	Confident	2 Å²	2	35.7 Å²	35.7	2%	0.021	17%	0.171	C	C	.	.			trans	128.5	156.9	177.4	0	0	0	0	0	112.7	S395 R443 I444 Y511	S395-G397 PolarHBondContact O-N 2.85Å; S395-G397 PolarHBondContact OG-N 2.82Å; G397-R443 PolarHBondContact O-NE 2.97Å; G397-I444 CarbonylContact C-O 3.15Å; G397-I444 VanDerWaalsContact C-O 3.3Å; G397-I444 WeakPolarHBondContact CA-O 3.32Å; G397-Y511 PolarHBondContact O-OH 3.05Å
398	I	81.1	Confident	82.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.5	176	-60.2	163.2	0	0	0	108.8	M400 R443 I444 V446 L462 I506 F508 Y511	I398-M400 PolarHBondContact O-N 3.47Å; I398-R443 CarbonylContact O-C 3.59Å; I398-R443 VanDerWaalsContact O-CA 3.31Å; I398-R443 WeakPolarHBondContact O-CA 3.36Å; I398-I444 HydrophobicContact CB-CB 4.26Å; I398-I444 PolarHBondContact N-O 3.07Å; I398-I444 PolarHBondContact O-N 3.34Å; I398-V446 HydrophobicContact CD1-CG2 4.37Å; I398-V446 HydrophobicContact CG1-CG2 3.91Å; I398-L462 HydrophobicContact CD1-CD1 3.25Å; I398-L462 HydrophobicContact CD1-CD2 3.76Å; I398-L462 HydrophobicContact CD1-CG 4.06Å; I398-L462 HydrophobicContact CG1-CD1 4.21Å; I398-I506 HydrophobicContact CG2-CD1 4.04Å; I398-I506 HydrophobicContact CG2-CG1 3.58Å; I398-F508 HydrophobicContact CD1-CD1 4.24Å; I398-F508 HydrophobicContact CD1-CE1 3.33Å; I398-F508 HydrophobicContact CD1-CZ 3.78Å; I398-F508 HydrophobicContact CG1-CD1 4.44Å; I398-F508 HydrophobicContact CG1-CE1 3.97Å; I398-F508 HydrophobicContact CG2-CE1 4.25Å; I398-F508 HydrophobicContact CG2-CZ 4.3Å; I398-Y511 WeakPolarHBondContact CA-OH 3.36Å; I398-Y511 HydrophobicContact CG1-CE2 4.32Å; I398-Y511 VanDerWaalsContact CG1-OH 3.31Å; I398-Y511 WeakPolarHBondContact CG1-OH 3.2Å; I398-Y511 PolarHBondContact N-OH 3.16Å
399	D	84.5	Confident	82.1	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.1	176.5	-60.2	-32.6	0	0	0	109.5	R443 D507 K510	D399-R443 IonicContact OD1-NE 3.69Å; D399-D507 HydrophobicContact CB-CB 4.45Å; D399-D507 PolarHBondContact O-N 3.27Å; D399-K510 IonicContact OD2-NZ 3.81Å; D399-K510 PolarHBondContact OD2-NZ 3.07Å
400	M	87.3	Confident	81.7	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.1	172.2	-66.8	-166.4	-50.7	0	0	110.4	I398 I402 L442 I444 L470 T505 I506	I398-M400 PolarHBondContact O-N 3.47Å; M400-I402 HydrophobicContact CB-CG1 4.32Å; M400-I402 HydrophobicContact CE-CD1 4.08Å; M400-L442 HydrophobicContact CB-CB 3.95Å; M400-L442 HydrophobicContact CE-CB 3.75Å; M400-L442 HydrophobicContact CE-CD1 3.93Å; M400-L442 HydrophobicContact CE-CG 4.33Å; M400-L442 PolarHBondContact N-O 3.4Å; M400-L442 PolarHBondContact O-N 3.02Å; M400-I444 HydrophobicContact CE-CD1 3.44Å; M400-I444 VanDerWaalsContact CE-CD1 3.44Å; M400-I444 HydrophobicContact CE-CG1 3.27Å; M400-I444 HydrophobicContact CG-CD1 4.12Å; M400-I444 HydrophobicContact CG-CG1 4.23Å; M400-I444 HydrophobicContact SD-CD1 3.27Å; M400-I444 WeakPolarHBondContact SD-CD1 3.21Å; M400-I444 HydrophobicContact SD-CG1 3.73Å; M400-L470 HydrophobicContact CE-CD2 4.5Å; M400-L470 HydrophobicContact SD-CD2 3.85Å; M400-T505 CarbonylContact C-O 3.6Å; M400-T505 WeakPolarHBondContact CA-O 3.43Å; M400-I506 HydrophobicContact CG-CB 4.16Å; M400-I506 HydrophobicContact CG-CD1 4.04Å; M400-I506 HydrophobicContact CG-CG1 3.84Å; M400-I506 HydrophobicContact SD-CD1 3.99Å; M400-I506 HydrophobicContact SD-CG1 4.42Å
401	D	89.6	Confident	81.4	Confident	29 Å²	29	48 Å²	48	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	110.9	168.1	-174.3	11.8	0	0	0	107.8	R439 L441 S504 T505	D401-R439 IonicContact OD2-NE 2.75Å; D401-R439 IonicContact OD2-NH2 2.8Å; D401-R439 PolarHBondContact OD2-NH2 2.84Å; D401-L441 HydrophobicContact CB-CD2 4.22Å; D401-S504 CarbonylContact O-C 3.58Å; D401-S504 WeakPolarHBondContact O-CA 3Å; D401-S504 WeakPolarHBondContact O-CB 3.5Å; D401-T505 PolarHBondContact N-O 3.09Å; D401-T505 PolarHBondContact O-N 3.3Å
402	I	90.2	Very high	81.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.5	-178.3	-53.1	-163.8	0	0	0	109.3	M400 Y404 I419 L440 L442 F472 I500	M400-I402 HydrophobicContact CB-CG1 4.32Å; M400-I402 HydrophobicContact CE-CD1 4.08Å; I402-Y404 HydrophobicContact CG2-CD1 4.32Å; I402-I419 HydrophobicContact CD1-CD1 4.43Å; I402-L440 HydrophobicContact CB-CB 4.34Å; I402-L440 PolarHBondContact N-O 3.39Å; I402-L440 PolarHBondContact O-N 2.88Å; I402-L442 HydrophobicContact CD1-CD1 3.34Å; I402-L442 HydrophobicContact CG1-CD1 3.91Å; I402-F472 HydrophobicContact CD1-CE1 3.42Å; I402-F472 VanDerWaalsContact CD1-CE1 3.42Å; I402-F472 HydrophobicContact CD1-CZ 3.71Å; I402-I500 HydrophobicContact CG2-CD1 4.16Å; I402-I500 HydrophobicContact CG2-CG2 4.15Å
403	N	90.7	Very high	81.7	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.1	166	-59.9	-47.2	0	0	0	107.5	R439 G501 D503 S504	N403-R439 WeakPolarHBondContact OD1-CG 3.35Å; N403-R439 PolarHBondContact OD1-NE 2.74Å; N403-R439 VanDerWaalsContact OD1-NE 3.14Å; N403-G501 PolarHBondContact O-N 3.01Å; N403-D503 PolarHBondContact ND2-OD1 3.06Å; N403-D503 PolarHBondContact ND2-OD2 2.96Å; N403-S504 PolarHBondContact N-OG 3.18Å; N403-S504 PolarHBondContact O-OG 3.22Å; N403-S504 VanDerWaalsContact O-OG 3.12Å
404	Y	91.6	Very high	82.8	Confident	23 Å²	23	57.5 Å²	57.5	9%	0.09	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.8	-179.6	67.5	-74.5	0	0	0	111.6	I402 Y406 M417 L431 N438 L440 F474 V499	I402-Y404 HydrophobicContact CG2-CD1 4.32Å; Y404-Y406 AromaticContact CD2-CD1 3.81Å; Y404-Y406 HydrophobicContact CD2-CD1 3.81Å; Y404-Y406 HydrophobicContact CD2-CE1 4.38Å; Y404-Y406 AromaticContact CE2-CD1 3.6Å; Y404-Y406 HydrophobicContact CE2-CD1 3.6Å; Y404-Y406 AromaticContact CE2-CE1 3.76Å; Y404-Y406 HydrophobicContact CE2-CE1 3.76Å; Y404-M417 HydrophobicContact CD1-CE 4.32Å; Y404-M417 HydrophobicContact CD2-CE 4.37Å; Y404-M417 HydrophobicContact CD2-SD 4.11Å; Y404-M417 HydrophobicContact CE1-CE 4.28Å; Y404-M417 HydrophobicContact CE2-CE 4.29Å; Y404-M417 HydrophobicContact CE2-SD 4.41Å; Y404-M417 HydrophobicContact CG-CE 4.38Å; Y404-M417 HydrophobicContact CG-SD 4.34Å; Y404-L431 HydrophobicContact CE2-CD2 4.15Å; Y404-N438 PolarHBondContact N-O 2.92Å; Y404-N438 WeakPolarHBondContact O-CB 3.33Å; Y404-N438 VanDerWaalsContact O-CG 3.29Å; Y404-N438 PolarHBondContact O-ND2 3.02Å; Y404-L440 HydrophobicContact CD1-CB 4.42Å; Y404-L440 HydrophobicContact CE1-CB 3.93Å; Y404-F474 HydrophobicContact CD2-CE1 4.01Å; Y404-F474 HydrophobicContact CD2-CZ 4.29Å; Y404-V499 CarbonylContact C-O 3.58Å; Y404-V499 WeakPolarHBondContact CA-O 3.22Å; Y404-V499 WeakPolarHBondContact CB-O 3.18Å
405	R	90.6	Very high	84.3	Confident	186 Å²	186	52.2 Å²	52.2	70%	0.702	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.2	177.2	-61.7	179.9	-176.2	166.6	2.9	108.3	V498 V499	R405-V498 CarbonylContact O-C 3.3Å; R405-V498 WeakPolarHBondContact O-CA 3.34Å; R405-V499 HydrophobicContact CB-CB 4.43Å; R405-V499 PolarHBondContact N-O 2.88Å; R405-V499 PolarHBondContact O-N 3.45Å
406	Y	92.1	Very high	85.9	Confident	31 Å²	31	54.8 Å²	54.8	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152	-175.4	65.5	-89.9	0	0	0	109.8	Y404 M408 L431 S432 Y476 H497	Y404-Y406 AromaticContact CD2-CD1 3.81Å; Y404-Y406 HydrophobicContact CD2-CD1 3.81Å; Y404-Y406 HydrophobicContact CD2-CE1 4.38Å; Y404-Y406 AromaticContact CE2-CD1 3.6Å; Y404-Y406 HydrophobicContact CE2-CD1 3.6Å; Y404-Y406 AromaticContact CE2-CE1 3.76Å; Y404-Y406 HydrophobicContact CE2-CE1 3.76Å; Y406-M408 PolarHBondContact O-N 3.44Å; Y406-L431 HydrophobicContact CD1-CD2 3.91Å; Y406-L431 HydrophobicContact CD2-CB 4.01Å; Y406-L431 HydrophobicContact CD2-CD1 4.19Å; Y406-L431 HydrophobicContact CD2-CD2 3.98Å; Y406-L431 HydrophobicContact CD2-CG 4.27Å; Y406-L431 HydrophobicContact CE1-CD2 4.07Å; Y406-L431 HydrophobicContact CE2-CB 3.7Å; Y406-L431 HydrophobicContact CE2-CD2 4.17Å; Y406-L431 HydrophobicContact CE2-CG 4.38Å; Y406-L431 HydrophobicContact CG-CD2 3.88Å; Y406-S432 WeakPolarHBondContact CE2-O 3.39Å; Y406-S432 PolarHBondContact OH-N 3.19Å; Y406-S432 PolarHBondContact OH-O 3.49Å; Y406-Y476 WeakPolarHBondContact CB-OH 3.19Å; Y406-H497 CarbonylContact C-O 3.52Å; Y406-H497 VanDerWaalsContact CA-O 3.31Å; Y406-H497 WeakPolarHBondContact CA-O 3.02Å
407	T	90.7	Very high	87.4	Confident	47 Å²	47	50.1 Å²	50.1	29%	0.288	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-64.4	122.9	169.2	-64.4	0	0	0	0	109.2	P409 Y476 H497	T407-P409 WeakPolarHBondContact O-CD 3.31Å; T407-Y476 PolarHBondContact N-OH 3.06Å; T407-Y476 WeakPolarHBondContact O-CE1 3.17Å; T407-Y476 PolarHBondContact O-OH 3.1Å; T407-Y476 VanDerWaalsContact O-OH 3.06Å; T407-H497 PolarHBondContact N-O 2.86Å; T407-H497 PolarHBondContact OG1-N 3.06Å; T407-H497 PolarHBondContact OG1-O 2.79Å
408	M	87.6	Confident	88.4	Confident	88 Å²	88	50.7 Å²	50.7	43%	0.433	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-65.7	129.5	-176.7	-64.7	173.6	59.4	0	0	111.2	Y406 S433 K434	Y406-M408 PolarHBondContact O-N 3.44Å; M408-S433 WeakPolarHBondContact CE-O 3.21Å; M408-K434 VanDerWaalsContact CE-C 3.49Å
409	P	87.6	Confident	88.8	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.7	140.9	170.8	-23	32.8	0	0	0	110.9	T407 V411 L431 S433 Y476	T407-P409 WeakPolarHBondContact O-CD 3.31Å; P409-V411 VanDerWaalsContact C-N 3.27Å; P409-V411 PolarHBondContact O-N 3Å; P409-L431 HydrophobicContact CG-CB 4.06Å; P409-S433 WeakPolarHBondContact O-CB 3.49Å; P409-Y476 HydrophobicContact CG-CD1 4.29Å; P409-Y476 HydrophobicContact CG-CE1 4.16Å
410	P	82.5	Confident	89.1	Confident	107 Å²	107	49.2 Å²	49.2	70%	0.695	25%	0.246	S	C	*	.	S	Bend	trans	-69.9	-25	-175.5	27.8	-35	0	0	0	113.1	P479	P410-P479 HydrophobicContact CG-CG 4.42Å
411	V	83.2	Confident	89.1	Confident	72 Å²	72	49 Å²	49	44%	0.436	25%	0.245	S	C	.	.	S	Bend	trans	-128.8	159.1	178.3	-65.5	0	0	0	0	109.5	P409 D413 P479	P409-V411 VanDerWaalsContact C-N 3.27Å; P409-V411 PolarHBondContact O-N 3Å; V411-D413 HydrophobicContact CG2-CB 4.25Å; V411-D413 PolarHBondContact O-N 2.92Å; V411-P479 HydrophobicContact CG2-CG 4.31Å
412	K	82.7	Confident	88.9	Confident	198 Å²	198	48.7 Å²	48.7	86%	0.861	24%	0.243	S	C	*	.	S	Bend	trans	-73.2	108.2	170.3	-176.4	-178.9	179.5	-179.2	0	108.2
413	D	86	Confident	88.5	Confident	30 Å²	30	55.4 Å²	55.4	16%	0.16	28%	0.279	C	S	.	.			trans	-133.2	-162.8	-177.3	56.6	34.7	0	0	0	112	V411 S415 M477	V411-D413 HydrophobicContact CG2-CB 4.25Å; V411-D413 PolarHBondContact O-N 2.92Å; D413-S415 VanDerWaalsContact C-N 3.3Å; D413-S415 WeakPolarHBondContact OD1-CB 3.01Å; D413-S415 PolarHBondContact OD1-N 2.84Å; D413-S415 PolarHBondContact OD1-OG 3.07Å; D413-M477 HydrophobicContact CB-CB 4.12Å; D413-M477 HydrophobicContact CB-CE 3.19Å; D413-M477 HydrophobicContact CB-CG 4.48Å; D413-M477 HydrophobicContact CB-SD 3.79Å
414	S	88.1	Confident	88.2	Confident	77 Å²	77	56.8 Å²	56.8	54%	0.538	28%	0.284	S	S	.	.	S	Bend	trans	-89	15.5	177.6	65.4	0	0	0	0	113.8	R416	S414-R416 PolarHBondContact O-N 2.9Å
415	S	91.5	Very high	87.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.			trans	-59.3	133.1	175.4	-58.9	0	0	0	0	110.1	D413 L431 E475 M477	D413-S415 VanDerWaalsContact C-N 3.3Å; D413-S415 WeakPolarHBondContact OD1-CB 3.01Å; D413-S415 PolarHBondContact OD1-N 2.84Å; D413-S415 PolarHBondContact OD1-OG 3.07Å; S415-L431 PolarHBondContact O-N 2.96Å; S415-E475 CarbonylContact C-O 3.58Å; S415-E475 WeakPolarHBondContact CA-O 3.43Å; S415-M477 PolarHBondContact OG-N 2.81Å
416	R	92.6	Very high	87.6	Confident	85 Å²	85	53.3 Å²	53.3	32%	0.321	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	158.2	-169.1	64.5	-165.8	-175.4	139.4	14.7	112.4	S414 D418 F429 E475	S414-R416 PolarHBondContact O-N 2.9Å; R416-D418 IonicContact CZ-OD1 3.63Å; R416-D418 IonicContact CZ-OD2 3.12Å; R416-D418 IonicContact NE-OD1 3.64Å; R416-D418 IonicContact NE-OD2 3.59Å; R416-D418 IonicContact NH1-OD1 3.78Å; R416-D418 IonicContact NH1-OD2 3.58Å; R416-D418 IonicContact NH2-OD2 2.86Å; R416-D418 PolarHBondContact NH2-OD2 3.36Å; R416-F429 CarbonylContact C-O 3.59Å; R416-F429 WeakPolarHBondContact CA-O 3.36Å; R416-F429 WeakPolarHBondContact CB-O 3.45Å; R416-E475 HydrophobicContact CG-CB 4.13Å; R416-E475 IonicContact CZ-OE2 3.2Å; R416-E475 PolarHBondContact N-O 2.93Å; R416-E475 IonicContact NE-OE2 2.81Å; R416-E475 PolarHBondContact NE-OE2 2.79Å; R416-E475 IonicContact NH2-OE1 3.76Å; R416-E475 IonicContact NH2-OE2 3.2Å; R416-E475 PolarHBondContact NH2-OE2 2.78Å; R416-E475 PolarHBondContact O-N 3.25Å
417	M	92.1	Very high	87.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	167.7	178.4	179	73	0	0	108.5	Y404 I419 S428 F429 L431 L440 F472 D473 F474 I500	Y404-M417 HydrophobicContact CD1-CE 4.32Å; Y404-M417 HydrophobicContact CD2-CE 4.37Å; Y404-M417 HydrophobicContact CD2-SD 4.11Å; Y404-M417 HydrophobicContact CE1-CE 4.28Å; Y404-M417 HydrophobicContact CE2-CE 4.29Å; Y404-M417 HydrophobicContact CE2-SD 4.41Å; Y404-M417 HydrophobicContact CG-CE 4.38Å; Y404-M417 HydrophobicContact CG-SD 4.34Å; M417-I419 HydrophobicContact CE-CD1 4.05Å; M417-I419 HydrophobicContact CE-CG1 4.38Å; M417-I419 HydrophobicContact CG-CG1 4.46Å; M417-S428 CarbonylContact O-C 3.47Å; M417-S428 WeakPolarHBondContact O-CA 3.46Å; M417-F429 HydrophobicContact CE-CB 4.42Å; M417-F429 HydrophobicContact CE-CD2 4.01Å; M417-F429 HydrophobicContact CE-CG 4.45Å; M417-F429 PolarHBondContact N-O 3.34Å; M417-F429 PolarHBondContact O-N 3.05Å; M417-L431 HydrophobicContact CB-CD2 4.21Å; M417-L440 HydrophobicContact CE-CD2 3.91Å; M417-F472 HydrophobicContact SD-CD1 4.21Å; M417-D473 CarbonylContact C-O 3.57Å; M417-D473 VanDerWaalsContact CA-O 3.28Å; M417-D473 WeakPolarHBondContact CA-O 3.12Å; M417-F474 HydrophobicContact CB-CD1 4.16Å; M417-F474 HydrophobicContact CB-CE1 4.12Å; M417-F474 HydrophobicContact CG-CD1 4.31Å; M417-F474 HydrophobicContact CG-CE1 4.02Å; M417-F474 HydrophobicContact CG-CE2 4.24Å; M417-F474 HydrophobicContact CG-CZ 3.99Å; M417-F474 HydrophobicContact SD-CE1 3.66Å; M417-F474 HydrophobicContact SD-CE2 3.98Å; M417-F474 HydrophobicContact SD-CZ 3.35Å; M417-F474 WeakPolarHBondContact SD-CZ 3.4Å; M417-I500 HydrophobicContact SD-CD1 4.25Å
418	D	93.3	Very high	87.2	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.9	174	-74.7	-1.4	0	0	0	109.1	R416 F425 S428 D473	R416-D418 IonicContact CZ-OD1 3.63Å; R416-D418 IonicContact CZ-OD2 3.12Å; R416-D418 IonicContact NE-OD1 3.64Å; R416-D418 IonicContact NE-OD2 3.59Å; R416-D418 IonicContact NH1-OD1 3.78Å; R416-D418 IonicContact NH1-OD2 3.58Å; R416-D418 IonicContact NH2-OD2 2.86Å; R416-D418 PolarHBondContact NH2-OD2 3.36Å; D418-F425 HydrophobicContact CB-CE2 4.2Å; D418-S428 WeakPolarHBondContact OD1-CB 3.32Å; D418-S428 PolarHBondContact OD1-OG 2.98Å; D418-D473 HydrophobicContact CB-CB 4.25Å; D418-D473 PolarHBondContact N-O 3.36Å; D418-D473 PolarHBondContact O-N 2.84Å
419	I	90.4	Very high	87.2	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.7	179.3	-51.1	-178.4	0	0	0	108.2	I402 M417 L426 Q427 F429 L440 L442 L470 R471 F472	I402-I419 HydrophobicContact CD1-CD1 4.43Å; M417-I419 HydrophobicContact CE-CD1 4.05Å; M417-I419 HydrophobicContact CE-CG1 4.38Å; M417-I419 HydrophobicContact CG-CG1 4.46Å; I419-L426 HydrophobicContact CG2-CD1 4.34Å; I419-L426 WeakPolarHBondContact O-CB 3.26Å; I419-L426 PolarHBondContact O-N 2.7Å; I419-Q427 PolarHBondContact N-O 3.24Å; I419-Q427 PolarHBondContact O-N 2.77Å; I419-F429 HydrophobicContact CD1-CD2 3.87Å; I419-F429 HydrophobicContact CD1-CE2 3.53Å; I419-F429 HydrophobicContact CG1-CD2 4.31Å; I419-F429 HydrophobicContact CG1-CE2 4.25Å; I419-L440 HydrophobicContact CD1-CD2 4.41Å; I419-L442 HydrophobicContact CD1-CD1 3.3Å; I419-L442 HydrophobicContact CD1-CD2 4.31Å; I419-L442 HydrophobicContact CD1-CG 4.41Å; I419-L470 HydrophobicContact CG2-CD1 3.77Å; I419-R471 WeakPolarHBondContact CA-O 3.29Å; I419-F472 HydrophobicContact CD1-CD1 4.16Å; I419-F472 HydrophobicContact CD1-CE1 3.94Å; I419-F472 HydrophobicContact CG1-CD1 3.9Å; I419-F472 HydrophobicContact CG1-CE1 4.12Å; I419-F472 HydrophobicContact CG2-CD1 4.27Å; I419-F472 HydrophobicContact CG2-CE1 4.01Å
420	S	89.7	Confident	87.3	Confident	18 Å²	18	58.4 Å²	58.4	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.1	177.4	-61.1	0	0	0	0	111	Q424 L470 R471	S420-Q424 CarbonylContact C-O 3.52Å; S420-Q424 WeakPolarHBondContact CA-O 3.39Å; S420-Q424 WeakPolarHBondContact CB-O 3.46Å; S420-L470 WeakPolarHBondContact O-CA 3.41Å; S420-R471 PolarHBondContact N-O 3.21Å; S420-R471 PolarHBondContact O-N 2.78Å
421	L	87.7	Confident	87.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.8	171.3	-179.9	63.2	0	0	0	108.4	N423 Q424 L426 I444 A461 L462 N468 Q469 L470	L421-N423 PolarHBondContact O-N 2.81Å; L421-Q424 PolarHBondContact N-O 2.84Å; L421-Q424 WeakPolarHBondContact O-CB 3.45Å; L421-Q424 PolarHBondContact O-N 2.92Å; L421-L426 HydrophobicContact CB-CD1 3.7Å; L421-L426 HydrophobicContact CB-CD2 4.15Å; L421-L426 HydrophobicContact CB-CG 3.97Å; L421-I444 HydrophobicContact CD2-CG2 4.18Å; L421-A461 HydrophobicContact CD2-CB 3.84Å; L421-A461 WeakPolarHBondContact CD2-O 3.32Å; L421-A461 WeakPolarHBondContact CG-O 3.48Å; L421-L462 HydrophobicContact CD2-CD2 3.87Å; L421-L462 HydrophobicContact CD2-CG 3.91Å; L421-N468 HydrophobicContact CD1-CB 4.1Å; L421-Q469 CarbonylContact C-O 3.48Å; L421-Q469 WeakPolarHBondContact CA-O 3.41Å; L421-L470 HydrophobicContact CD1-CB 4.47Å; L421-L470 HydrophobicContact CD1-CD1 4.42Å
422	N	86.1	Confident	87.5	Confident	22 Å²	22	52.1 Å²	52.1	12%	0.118	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	41.5	-179	-60.4	-38.3	0	0	0	113.2	Q424 A461 N468 Q469	N422-Q424 PolarHBondContact O-N 2.91Å; N422-A461 PolarHBondContact ND2-O 3.26Å; N422-N468 PolarHBondContact ND2-OD1 3.33Å; N422-N468 VanDerWaalsContact OD1-CA 3.25Å; N422-N468 WeakPolarHBondContact OD1-CA 3.5Å; N422-Q469 PolarHBondContact N-O 2.86Å; N422-Q469 PolarHBondContact OD1-N 3.3Å
423	N	82.1	Confident	87.4	Confident	140 Å²	140	44.3 Å²	44.3	75%	0.749	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	9.5	-175	-54.8	87.4	0	0	0	115.3	L421	L421-N423 PolarHBondContact O-N 2.81Å
424	Q	84.3	Confident	86.9	Confident	50 Å²	50	50.1 Å²	50.1	23%	0.234	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.5	172.3	-60.3	-174.9	-40.3	0	0	109.7	S420 L421 N422 L426	S420-Q424 CarbonylContact C-O 3.52Å; S420-Q424 WeakPolarHBondContact CA-O 3.39Å; S420-Q424 WeakPolarHBondContact CB-O 3.46Å; L421-Q424 PolarHBondContact N-O 2.84Å; L421-Q424 WeakPolarHBondContact O-CB 3.45Å; L421-Q424 PolarHBondContact O-N 2.92Å; N422-Q424 PolarHBondContact O-N 2.91Å; Q424-L426 PolarHBondContact O-N 2.84Å
425	F	85.4	Confident	85.7	Confident	110 Å²	110	55.4 Å²	55.4	48%	0.482	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	130.1	175.4	175.4	-100.4	0	0	0	110.4	D418 Q427 Q448	D418-F425 HydrophobicContact CB-CE2 4.2Å; F425-Q427 VanDerWaalsContact CZ-C 3.45Å; F425-Q448 PolarHBondContact O-NE2 3.31Å
426	L	83.4	Confident	84	Confident	26 Å²	26	62.3 Å²	62.3	14%	0.136	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-60.4	175.6	-64.4	-175.1	0	0	0	110.9	I419 L421 Q424 I444 A461 L470	I419-L426 HydrophobicContact CG2-CD1 4.34Å; I419-L426 WeakPolarHBondContact O-CB 3.26Å; I419-L426 PolarHBondContact O-N 2.7Å; L421-L426 HydrophobicContact CB-CD1 3.7Å; L421-L426 HydrophobicContact CB-CD2 4.15Å; L421-L426 HydrophobicContact CB-CG 3.97Å; Q424-L426 PolarHBondContact O-N 2.84Å; L426-I444 HydrophobicContact CD1-CD1 4.42Å; L426-I444 HydrophobicContact CD1-CG1 4.2Å; L426-I444 HydrophobicContact CD1-CG2 3.93Å; L426-I444 HydrophobicContact CD2-CG2 4.4Å; L426-A461 HydrophobicContact CD2-CB 4.22Å; L426-L470 HydrophobicContact CD1-CD1 4.38Å
427	Q	85.3	Confident	82.2	Confident	85 Å²	85	62.9 Å²	62.9	40%	0.397	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.9	-171.7	-165.7	166.4	-9.9	0	0	111	I419 F425 F429 L442	I419-Q427 PolarHBondContact N-O 3.24Å; I419-Q427 PolarHBondContact O-N 2.77Å; F425-Q427 VanDerWaalsContact CZ-C 3.45Å; Q427-F429 HydrophobicContact CB-CE2 3.86Å; Q427-F429 HydrophobicContact CB-CZ 4.08Å; Q427-F429 HydrophobicContact CG-CE1 4.19Å; Q427-F429 HydrophobicContact CG-CE2 3.68Å; Q427-F429 HydrophobicContact CG-CZ 3.49Å; Q427-F429 VanDerWaalsContact CG-CZ 3.49Å; Q427-F429 VanDerWaalsContact NE2-CE1 3.34Å; Q427-L442 HydrophobicContact CB-CD2 4.49Å
428	S	88.8	Confident	80.7	Confident	38 Å²	38	65.9 Å²	65.9	27%	0.266	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.1	176.6	-174.8	0	0	0	0	110.7	M417 D418	M417-S428 CarbonylContact O-C 3.47Å; M417-S428 WeakPolarHBondContact O-CA 3.46Å; D418-S428 WeakPolarHBondContact OD1-CB 3.32Å; D418-S428 PolarHBondContact OD1-OG 2.98Å
429	F	88.7	Confident	78.8	Confident	29 Å²	29	73.2 Å²	73.2	13%	0.127	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.7	180	-62	-81.6	0	0	0	110.8	R416 M417 I419 Q427 L440 L442	R416-F429 CarbonylContact C-O 3.59Å; R416-F429 WeakPolarHBondContact CA-O 3.36Å; R416-F429 WeakPolarHBondContact CB-O 3.45Å; M417-F429 HydrophobicContact CE-CB 4.42Å; M417-F429 HydrophobicContact CE-CD2 4.01Å; M417-F429 HydrophobicContact CE-CG 4.45Å; M417-F429 PolarHBondContact N-O 3.34Å; M417-F429 PolarHBondContact O-N 3.05Å; I419-F429 HydrophobicContact CD1-CD2 3.87Å; I419-F429 HydrophobicContact CD1-CE2 3.53Å; I419-F429 HydrophobicContact CG1-CD2 4.31Å; I419-F429 HydrophobicContact CG1-CE2 4.25Å; Q427-F429 HydrophobicContact CB-CE2 3.86Å; Q427-F429 HydrophobicContact CB-CZ 4.08Å; Q427-F429 HydrophobicContact CG-CE1 4.19Å; Q427-F429 HydrophobicContact CG-CE2 3.68Å; Q427-F429 HydrophobicContact CG-CZ 3.49Å; Q427-F429 VanDerWaalsContact CG-CZ 3.49Å; Q427-F429 VanDerWaalsContact NE2-CE1 3.34Å; F429-L440 HydrophobicContact CD1-CD1 3.29Å; F429-L440 HydrophobicContact CD1-CD2 3.88Å; F429-L440 HydrophobicContact CD1-CG 4.17Å; F429-L440 HydrophobicContact CD2-CD2 3.63Å; F429-L440 HydrophobicContact CE1-CD1 3.23Å; F429-L440 HydrophobicContact CE1-CD2 3.73Å; F429-L440 HydrophobicContact CE1-CG 3.9Å; F429-L440 HydrophobicContact CE2-CD2 3.47Å; F429-L440 VanDerWaalsContact CE2-CD2 3.47Å; F429-L440 HydrophobicContact CE2-CG 4.48Å; F429-L440 HydrophobicContact CG-CD1 4Å; F429-L440 HydrophobicContact CG-CD2 3.82Å; F429-L440 HydrophobicContact CZ-CD1 3.9Å; F429-L440 HydrophobicContact CZ-CD2 3.49Å; F429-L440 VanDerWaalsContact CZ-CD2 3.49Å; F429-L440 HydrophobicContact CZ-CG 4.03Å; F429-L442 HydrophobicContact CE2-CD1 4.12Å; F429-L442 HydrophobicContact CE2-CD2 3.84Å; F429-L442 HydrophobicContact CE2-CG 4.21Å; F429-L442 HydrophobicContact CZ-CD1 4.3Å; F429-L442 HydrophobicContact CZ-CD2 3.59Å; F429-L442 HydrophobicContact CZ-CG 3.92Å
430	N	89.2	Confident	77.5	Confident	125 Å²	125	74.3 Å²	74.3	67%	0.668	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	136.4	178.2	-65.3	-31.4	0	0	0	111.2	S432	N430-S432 PolarHBondContact O-N 3.15Å
431	L	86.9	Confident	75.8	Confident	7 Å²	7	80.6 Å²	80.6	4%	0.037	41%	0.411	C	S	.	.			trans	-83.4	110	171.4	-59.4	-178	0	0	0	108.5	Y404 Y406 P409 S415 M417 F474 Y476	Y404-L431 HydrophobicContact CE2-CD2 4.15Å; Y406-L431 HydrophobicContact CD1-CD2 3.91Å; Y406-L431 HydrophobicContact CD2-CB 4.01Å; Y406-L431 HydrophobicContact CD2-CD1 4.19Å; Y406-L431 HydrophobicContact CD2-CD2 3.98Å; Y406-L431 HydrophobicContact CD2-CG 4.27Å; Y406-L431 HydrophobicContact CE1-CD2 4.07Å; Y406-L431 HydrophobicContact CE2-CB 3.7Å; Y406-L431 HydrophobicContact CE2-CD2 4.17Å; Y406-L431 HydrophobicContact CE2-CG 4.38Å; Y406-L431 HydrophobicContact CG-CD2 3.88Å; P409-L431 HydrophobicContact CG-CB 4.06Å; S415-L431 PolarHBondContact O-N 2.96Å; M417-L431 HydrophobicContact CB-CD2 4.21Å; L431-F474 HydrophobicContact CD1-CD1 4.15Å; L431-F474 HydrophobicContact CD2-CD1 4.21Å; L431-F474 HydrophobicContact CD2-CE1 4.33Å; L431-Y476 HydrophobicContact CD1-CD1 4.47Å; L431-Y476 HydrophobicContact CD1-CE1 3.98Å; L431-Y476 HydrophobicContact CD1-CE2 4.17Å
432	S	83.5	Confident	74.4	Confident	40 Å²	40	81 Å²	81	28%	0.28	41%	0.414	S	S	.	.			trans	-71.8	140.7	179.9	-178.7	0	0	0	0	111.7	Y406 N430 K434	Y406-S432 WeakPolarHBondContact CE2-O 3.39Å; Y406-S432 PolarHBondContact OH-N 3.19Å; Y406-S432 PolarHBondContact OH-O 3.49Å; N430-S432 PolarHBondContact O-N 3.15Å; S432-K434 PolarHBondContact OG-N 3.18Å; S432-K434 PolarHBondContact OG-O 3.1Å
433	S	79.4	Confident	73	Confident	35 Å²	35	86 Å²	86	25%	0.245	43%	0.43	C	S	.	.	S	Bend	trans	-82.8	4.2	168.7	60.4	0	0	0	0	113.4	M408 P409	M408-S433 WeakPolarHBondContact CE-O 3.21Å; P409-S433 WeakPolarHBondContact O-CB 3.49Å
434	K	76.3	Confident	71.8	Confident	151 Å²	151	79.3 Å²	79.3	66%	0.657	40%	0.395	S	S	*	.	S	Bend	trans	-119.5	143	173.1	-63.7	-176.7	-179.8	-177.7	0	109.6	M408 S432 E436	M408-K434 VanDerWaalsContact CE-C 3.49Å; S432-K434 PolarHBondContact OG-N 3.18Å; S432-K434 PolarHBondContact OG-O 3.1Å; K434-E436 VanDerWaalsContact C-N 3.32Å; K434-E436 PolarHBondContact O-N 2.72Å
435	Q	63.4	Low	70.4	Confident	188 Å²	188	79.5 Å²	79.5	88%	0.879	40%	0.4	S	S	*	.			trans	-67.3	86.3	179.1	-168.8	178.5	8.8	0	0	110.1
436	E	55.5	Low	68.8	Low	146 Å²	146	74.3 Å²	74.3	68%	0.682	38%	0.378	S	S	*	.			trans	-111.4	155.3	168.2	-82.6	-175.4	171.7	0	0	110.3	K434 N438	K434-E436 VanDerWaalsContact C-N 3.32Å; K434-E436 PolarHBondContact O-N 2.72Å; E436-N438 PolarHBondContact O-N 3.48Å; E436-N438 PolarHBondContact O-OD1 3.21Å
437	A	54.1	Low	67.2	Low	97 Å²	97	76.4 Å²	76.4	80%	0.802	39%	0.389	S	S	*	.			trans	-55.2	123.4	-166.3	0	0	0	0	0	113.6	R439	A437-R439 PolarHBondContact O-N 2.85Å
438	N	61.2	Low	65.1	Low	63 Å²	63	75 Å²	75	34%	0.337	38%	0.382	S	S	.	.			trans	-76.6	42.2	-174.3	-79.6	1	0	0	0	114.8	Y404 E436	Y404-N438 PolarHBondContact N-O 2.92Å; Y404-N438 WeakPolarHBondContact O-CB 3.33Å; Y404-N438 VanDerWaalsContact O-CG 3.29Å; Y404-N438 PolarHBondContact O-ND2 3.02Å; E436-N438 PolarHBondContact O-N 3.48Å; E436-N438 PolarHBondContact O-OD1 3.21Å
439	R	53.8	Low	62.8	Low	166 Å²	166	75 Å²	75	63%	0.626	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.5	-175.6	-102.1	-178	146.4	178.1	-13.6	111.4	D401 N403 A437	D401-R439 IonicContact OD2-NE 2.75Å; D401-R439 IonicContact OD2-NH2 2.8Å; D401-R439 PolarHBondContact OD2-NH2 2.84Å; N403-R439 WeakPolarHBondContact OD1-CG 3.35Å; N403-R439 PolarHBondContact OD1-NE 2.74Å; N403-R439 VanDerWaalsContact OD1-NE 3.14Å; A437-R439 PolarHBondContact O-N 2.85Å
440	L	62.5	Low	60.3	Low	24 Å²	24	81.7 Å²	81.7	13%	0.126	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	110.7	-178.1	-167.9	77.9	0	0	0	110.7	I402 Y404 M417 I419 F429 L442	I402-L440 HydrophobicContact CB-CB 4.34Å; I402-L440 PolarHBondContact N-O 3.39Å; I402-L440 PolarHBondContact O-N 2.88Å; Y404-L440 HydrophobicContact CD1-CB 4.42Å; Y404-L440 HydrophobicContact CE1-CB 3.93Å; M417-L440 HydrophobicContact CE-CD2 3.91Å; I419-L440 HydrophobicContact CD1-CD2 4.41Å; F429-L440 HydrophobicContact CD1-CD1 3.29Å; F429-L440 HydrophobicContact CD1-CD2 3.88Å; F429-L440 HydrophobicContact CD1-CG 4.17Å; F429-L440 HydrophobicContact CD2-CD2 3.63Å; F429-L440 HydrophobicContact CE1-CD1 3.23Å; F429-L440 HydrophobicContact CE1-CD2 3.73Å; F429-L440 HydrophobicContact CE1-CG 3.9Å; F429-L440 HydrophobicContact CE2-CD2 3.47Å; F429-L440 VanDerWaalsContact CE2-CD2 3.47Å; F429-L440 HydrophobicContact CE2-CG 4.48Å; F429-L440 HydrophobicContact CG-CD1 4Å; F429-L440 HydrophobicContact CG-CD2 3.82Å; F429-L440 HydrophobicContact CZ-CD1 3.9Å; F429-L440 HydrophobicContact CZ-CD2 3.49Å; F429-L440 VanDerWaalsContact CZ-CD2 3.49Å; F429-L440 HydrophobicContact CZ-CG 4.03Å; L440-L442 HydrophobicContact CD2-CD1 3.3Å; L440-L442 HydrophobicContact CD2-CG 3.75Å; L440-L442 HydrophobicContact CG-CD1 4.11Å; L440-L442 HydrophobicContact CG-CG 4.13Å; L440-L442 PolarHBondContact O-N 3.28Å
441	L	55.3	Low	57.9	Low	150 Å²	150	84 Å²	84	79%	0.785	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	105	169.3	-67.6	171.5	0	0	0	108.3	D401	D401-L441 HydrophobicContact CB-CD2 4.22Å
442	L	56.4	Low	55.5	Low	10 Å²	10	90.2 Å²	90.2	5%	0.052	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.9	176.5	-95	153.2	0	0	0	110.5	M400 I402 I419 Q427 F429 L440	M400-L442 HydrophobicContact CB-CB 3.95Å; M400-L442 HydrophobicContact CE-CB 3.75Å; M400-L442 HydrophobicContact CE-CD1 3.93Å; M400-L442 HydrophobicContact CE-CG 4.33Å; M400-L442 PolarHBondContact N-O 3.4Å; M400-L442 PolarHBondContact O-N 3.02Å; I402-L442 HydrophobicContact CD1-CD1 3.34Å; I402-L442 HydrophobicContact CG1-CD1 3.91Å; I419-L442 HydrophobicContact CD1-CD1 3.3Å; I419-L442 HydrophobicContact CD1-CD2 4.31Å; I419-L442 HydrophobicContact CD1-CG 4.41Å; Q427-L442 HydrophobicContact CB-CD2 4.49Å; F429-L442 HydrophobicContact CE2-CD1 4.12Å; F429-L442 HydrophobicContact CE2-CD2 3.84Å; F429-L442 HydrophobicContact CE2-CG 4.21Å; F429-L442 HydrophobicContact CZ-CD1 4.3Å; F429-L442 HydrophobicContact CZ-CD2 3.59Å; F429-L442 HydrophobicContact CZ-CG 3.92Å; L440-L442 HydrophobicContact CD2-CD1 3.3Å; L440-L442 HydrophobicContact CD2-CG 3.75Å; L440-L442 HydrophobicContact CG-CD1 4.11Å; L440-L442 HydrophobicContact CG-CG 4.13Å; L440-L442 PolarHBondContact O-N 3.28Å
443	R	57	Low	53.5	Low	125 Å²	125	92.2 Å²	92.2	47%	0.472	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103	168.4	-169.2	169.7	-158.5	167.9	6.4	108.1	T396 G397 I398 D399 P445	T396-R443 VanDerWaalsContact CB-NH2 3.27Å; T396-R443 WeakPolarHBondContact O-CD 3.2Å; T396-R443 PolarHBondContact O-NE 3.06Å; T396-R443 PolarHBondContact OG1-NE 3.06Å; T396-R443 VanDerWaalsContact OG1-NE 3.16Å; T396-R443 PolarHBondContact OG1-NH1 3.3Å; T396-R443 PolarHBondContact OG1-NH2 3.12Å; G397-R443 PolarHBondContact O-NE 2.97Å; I398-R443 CarbonylContact O-C 3.59Å; I398-R443 VanDerWaalsContact O-CA 3.31Å; I398-R443 WeakPolarHBondContact O-CA 3.36Å; D399-R443 IonicContact OD1-NE 3.69Å; R443-P445 VanDerWaalsContact O-CD 3.23Å; R443-P445 WeakPolarHBondContact O-CD 3.31Å
444	I	57.1	Low	51.9	Low	1 Å²	1	100.2 Å²	100.2	1%	0.005	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	115.2	179.1	-58.6	179	0	0	0	107.8	G397 I398 M400 L421 L426 V446 L470	G397-I444 CarbonylContact C-O 3.15Å; G397-I444 VanDerWaalsContact C-O 3.3Å; G397-I444 WeakPolarHBondContact CA-O 3.32Å; I398-I444 HydrophobicContact CB-CB 4.26Å; I398-I444 PolarHBondContact N-O 3.07Å; I398-I444 PolarHBondContact O-N 3.34Å; M400-I444 HydrophobicContact CE-CD1 3.44Å; M400-I444 VanDerWaalsContact CE-CD1 3.44Å; M400-I444 HydrophobicContact CE-CG1 3.27Å; M400-I444 HydrophobicContact CG-CD1 4.12Å; M400-I444 HydrophobicContact CG-CG1 4.23Å; M400-I444 HydrophobicContact SD-CD1 3.27Å; M400-I444 WeakPolarHBondContact SD-CD1 3.21Å; M400-I444 HydrophobicContact SD-CG1 3.73Å; L421-I444 HydrophobicContact CD2-CG2 4.18Å; L426-I444 HydrophobicContact CD1-CD1 4.42Å; L426-I444 HydrophobicContact CD1-CG1 4.2Å; L426-I444 HydrophobicContact CD1-CG2 3.93Å; L426-I444 HydrophobicContact CD2-CG2 4.4Å; I444-V446 PolarHBondContact O-N 2.86Å; I444-L470 HydrophobicContact CD1-CD1 4.49Å
445	P	54.7	Low	50	Low	53 Å²	53	97.9 Å²	97.9	34%	0.344	53%	0.525	S	S	.	.			trans	-63.9	123.1	172.8	28	-32.7	0	0	0	109.2	R443 L447 Q448	R443-P445 VanDerWaalsContact O-CD 3.23Å; R443-P445 WeakPolarHBondContact O-CD 3.31Å; P445-L447 VanDerWaalsContact C-N 3.29Å; P445-L447 PolarHBondContact O-N 3.1Å; P445-Q448 HydrophobicContact CG-CG 4.35Å
446	V	52.9	Low	48.7	Very low	2 Å²	2	97.4 Å²	97.4	1%	0.012	53%	0.529	C	S	.	.	S	Bend	trans	-74.4	-24.3	-178.1	170.2	0	0	0	0	112.2	L392 S395 I398 I444 P460 A461 L462	L392-V446 HydrophobicContact CB-CG1 3.56Å; L392-V446 HydrophobicContact CD1-CG1 3.77Å; L392-V446 HydrophobicContact CD2-CG1 3.96Å; L392-V446 HydrophobicContact CD2-CG2 4.49Å; L392-V446 HydrophobicContact CG-CG1 3.93Å; S395-V446 WeakPolarHBondContact OG-CB 3.22Å; S395-V446 WeakPolarHBondContact OG-CG2 3.36Å; I398-V446 HydrophobicContact CD1-CG2 4.37Å; I398-V446 HydrophobicContact CG1-CG2 3.91Å; I444-V446 PolarHBondContact O-N 2.86Å; V446-P460 WeakPolarHBondContact O-CA 3.38Å; V446-A461 PolarHBondContact O-N 2.94Å; V446-L462 HydrophobicContact CB-CD1 4.43Å; V446-L462 HydrophobicContact CG1-CD1 4.25Å; V446-L462 HydrophobicContact CG2-CD1 3.8Å
447	L	50	Low	47.7	Very low	69 Å²	69	95.3 Å²	95.3	36%	0.361	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.7	174.5	-61.3	166.3	0	0	0	107.9	P445 S458	P445-L447 VanDerWaalsContact C-N 3.29Å; P445-L447 PolarHBondContact O-N 3.1Å; L447-S458 WeakPolarHBondContact CD2-OG 3.25Å
448	Q	41.3	Very low	46.9	Very low	56 Å²	56	93.3 Å²	93.3	26%	0.262	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.1	166.6	-78.8	-173	-22.7	0	0	107.9	F425 P445 S458 I459	F425-Q448 PolarHBondContact O-NE2 3.31Å; P445-Q448 HydrophobicContact CG-CG 4.35Å; Q448-S458 VanDerWaalsContact O-CA 3.3Å; Q448-S458 WeakPolarHBondContact O-CA 3.47Å; Q448-I459 PolarHBondContact N-O 3.26Å; Q448-I459 PolarHBondContact O-N 3.25Å
449	G	40.2	Very low	45.9	Very low	39 Å²	39	94.1 Å²	94.1	40%	0.402	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	157.7	-9.2	174.6	0	0	0	0	0	117.1
450	L	35.7	Very low	45.8	Very low	169 Å²	169	89.2 Å²	89.2	89%	0.885	50%	0.499	S	S	*	.	S	Bend	trans	-91.6	-2.9	-173.4	-143.9	81.7	0	0	0	115.8
451	L	38.9	Very low	45.5	Very low	174 Å²	174	88.1 Å²	88.1	91%	0.911	49%	0.493	S	S	*	.	S	Bend	trans	-103.3	-13.2	-177.1	-73.2	166.1	0	0	0	114.8
452	D	37.1	Very low	46.1	Very low	136 Å²	136	81.1 Å²	81.1	73%	0.727	46%	0.457	S	S	*	.	S	Bend	trans	-111.1	96	171.1	-78.2	-27.8	0	0	0	109.7	K454	D452-K454 PolarHBondContact O-N 2.68Å
453	G	41.1	Very low	46.7	Very low	83 Å²	83	86.4 Å²	86.4	86%	0.856	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	34.5	-170.1	0	0	0	0	0	117.3
454	K	44.6	Very low	47.2	Very low	203 Å²	203	83.2 Å²	83.2	88%	0.883	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	3.9	175.9	-72.1	-163.7	177.3	-176.6	0	117.5	D452	D452-K454 PolarHBondContact O-N 2.68Å
455	T	37.8	Very low	47.5	Very low	102 Å²	102	83.4 Å²	83.4	63%	0.626	47%	0.473	S	S	*	.			trans	-141.7	101.3	173.6	48.6	0	0	0	0	111.6	V457	T455-V457 PolarHBondContact O-N 3.2Å
456	D	35.4	Very low	48.5	Very low	178 Å²	178	82.3 Å²	82.3	95%	0.952	47%	0.469	S	S	*	.			trans	-69.1	59.7	176.5	-76.4	-35.5	0	0	0	112.9
457	V	33.9	Very low	49.9	Very low	102 Å²	102	85.8 Å²	85.8	62%	0.618	49%	0.49	S	S	*	.			trans	-117.6	80.8	167.1	-169	0	0	0	0	108.2	T455 I459	T455-V457 PolarHBondContact O-N 3.2Å; V457-I459 HydrophobicContact CG1-CD1 4.33Å; V457-I459 HydrophobicContact CG1-CG1 3.84Å; V457-I459 PolarHBondContact O-N 2.97Å; V457-I459 VanDerWaalsContact O-N 3.09Å
458	S	38.5	Very low	51.7	Low	55 Å²	55	82.5 Å²	82.5	39%	0.385	47%	0.473	S	S	.	.			trans	-71.4	94.3	167.5	174.3	0	0	0	0	108.9	L447 Q448 P460	L447-S458 WeakPolarHBondContact CD2-OG 3.25Å; Q448-S458 VanDerWaalsContact O-CA 3.3Å; Q448-S458 WeakPolarHBondContact O-CA 3.47Å; S458-P460 WeakPolarHBondContact O-CD 3.16Å
459	I	40.2	Very low	54	Low	79 Å²	79	83.7 Å²	83.7	41%	0.405	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.3	166.7	-51	178.4	0	0	0	106.4	Q448 V457 A461	Q448-I459 PolarHBondContact N-O 3.26Å; Q448-I459 PolarHBondContact O-N 3.25Å; V457-I459 HydrophobicContact CG1-CD1 4.33Å; V457-I459 HydrophobicContact CG1-CG1 3.84Å; V457-I459 PolarHBondContact O-N 2.97Å; V457-I459 VanDerWaalsContact O-N 3.09Å; I459-A461 PolarHBondContact O-N 3.48Å; I459-A461 VanDerWaalsContact O-N 3.12Å
460	P	50.8	Low	56.4	Low	64 Å²	64	81.8 Å²	81.8	42%	0.416	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	120.6	169.3	-16.5	30.3	0	0	0	107.3	V446 S458 L462	V446-P460 WeakPolarHBondContact O-CA 3.38Å; S458-P460 WeakPolarHBondContact O-CD 3.16Å; P460-L462 PolarHBondContact O-N 2.99Å; P460-L462 VanDerWaalsContact O-N 3.11Å
461	A	57.1	Low	59.2	Low	0 Å²	0	78.4 Å²	78.4	0%	0	44%	0.435	C	S	.	.	S	Bend	trans	-60.9	-24.2	179.9	0	0	0	0	0	110.8	L421 N422 L426 V446 I459	L421-A461 HydrophobicContact CD2-CB 3.84Å; L421-A461 WeakPolarHBondContact CD2-O 3.32Å; L421-A461 WeakPolarHBondContact CG-O 3.48Å; N422-A461 PolarHBondContact ND2-O 3.26Å; L426-A461 HydrophobicContact CD2-CB 4.22Å; V446-A461 PolarHBondContact O-N 2.94Å; I459-A461 PolarHBondContact O-N 3.48Å; I459-A461 VanDerWaalsContact O-N 3.12Å
462	L	67.5	Low	61.8	Low	4 Å²	4	70.1 Å²	70.1	2%	0.021	39%	0.391	C	S	.	.	S	Bend	trans	-103.2	126.3	177.3	-60.2	138.9	0	0	0	111.5	L386 L392 I398 L421 V446 P460 N468	L386-L462 HydrophobicContact CD1-CD2 3.86Å; L392-L462 HydrophobicContact CD1-CB 4.31Å; L392-L462 HydrophobicContact CD1-CD1 4.25Å; I398-L462 HydrophobicContact CD1-CD1 3.25Å; I398-L462 HydrophobicContact CD1-CD2 3.76Å; I398-L462 HydrophobicContact CD1-CG 4.06Å; I398-L462 HydrophobicContact CG1-CD1 4.21Å; L421-L462 HydrophobicContact CD2-CD2 3.87Å; L421-L462 HydrophobicContact CD2-CG 3.91Å; V446-L462 HydrophobicContact CB-CD1 4.43Å; V446-L462 HydrophobicContact CG1-CD1 4.25Å; V446-L462 HydrophobicContact CG2-CD1 3.8Å; P460-L462 PolarHBondContact O-N 2.99Å; P460-L462 VanDerWaalsContact O-N 3.11Å; L462-N468 WeakPolarHBondContact CA-OD1 3.37Å
463	K	68.9	Low	64.6	Low	121 Å²	121	64.8 Å²	64.8	53%	0.526	36%	0.363	S	S	.	.			trans	-86.6	110.6	167.1	-64	177.7	-178.3	174	0	108.7	A466 N468	K463-A466 HydrophobicContact CB-CB 4.09Å; K463-N468 PolarHBondContact N-OD1 2.97Å; K463-N468 PolarHBondContact O-ND2 3.21Å; K463-N468 PolarHBondContact O-OD1 2.9Å
464	L	67.2	Low	67.1	Low	57 Å²	57	61.1 Å²	61.1	30%	0.298	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	141.7	174.1	-66.9	178	0	0	0	111	L390 L392 A466	L390-L464 HydrophobicContact CB-CD2 3.87Å; L390-L464 VanDerWaalsContact O-CD1 3.3Å; L390-L464 WeakPolarHBondContact O-CD1 3.45Å; L392-L464 HydrophobicContact CD1-CD1 3.94Å; L392-L464 HydrophobicContact CD1-CD2 3.74Å; L392-L464 HydrophobicContact CD1-CG 3.89Å; L392-L464 HydrophobicContact CG-CD1 4.3Å; L392-L464 HydrophobicContact CG-CD2 4.31Å; L464-A466 PolarHBondContact O-N 3.23Å
465	G	63.5	Low	69.3	Low	5 Å²	5	55.7 Å²	55.7	5%	0.052	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	7.3	-179.7	0	0	0	0	0	114.8	L386 N525	L386-G465 PolarHBondContact O-N 2.94Å; G465-N525 CarbonylContact O-C 3.55Å; G465-N525 VanDerWaalsContact O-C 3.31Å; G465-N525 WeakPolarHBondContact O-CB 3.4Å
466	A	75.5	Confident	71.8	Confident	30 Å²	30	52 Å²	52	25%	0.248	28%	0.276	C	S	.	.	S	Bend	trans	-128	163.1	175.5	0	0	0	0	0	110.2	K463 L464 N468	K463-A466 HydrophobicContact CB-CB 4.09Å; L464-A466 PolarHBondContact O-N 3.23Å; A466-N468 PolarHBondContact O-N 2.92Å; A466-N468 PolarHBondContact O-ND2 3.12Å; A466-N468 VanDerWaalsContact O-ND2 3.11Å
467	T	81.9	Confident	74.2	Confident	76 Å²	76	47.6 Å²	47.6	47%	0.466	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.9	172.2	-54.3	0	0	0	0	109.8	N385	N385-T467 WeakPolarHBondContact OD1-CA 3.39Å; N385-T467 VanDerWaalsContact OD1-CB 3.3Å; N385-T467 WeakPolarHBondContact OD1-CB 3.1Å; N385-T467 WeakPolarHBondContact OD1-CG2 3.42Å; N385-T467 PolarHBondContact OD1-OG1 2.86Å
468	N	88.1	Confident	76.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.3	170.8	-65.3	-87.4	0	0	0	109.2	S383 L384 L421 N422 L462 K463 A466	S383-N468 CarbonylContact C-O 3.57Å; S383-N468 WeakPolarHBondContact CA-O 3.49Å; L384-N468 HydrophobicContact CB-CB 4.1Å; L384-N468 PolarHBondContact N-O 3.4Å; L384-N468 WeakPolarHBondContact O-CB 3.34Å; L384-N468 PolarHBondContact O-N 3.11Å; L384-N468 PolarHBondContact O-ND2 3.5Å; L421-N468 HydrophobicContact CD1-CB 4.1Å; N422-N468 PolarHBondContact ND2-OD1 3.33Å; N422-N468 VanDerWaalsContact OD1-CA 3.25Å; N422-N468 WeakPolarHBondContact OD1-CA 3.5Å; L462-N468 WeakPolarHBondContact CA-OD1 3.37Å; K463-N468 PolarHBondContact N-OD1 2.97Å; K463-N468 PolarHBondContact O-ND2 3.21Å; K463-N468 PolarHBondContact O-OD1 2.9Å; A466-N468 PolarHBondContact O-N 2.92Å; A466-N468 PolarHBondContact O-ND2 3.12Å; A466-N468 VanDerWaalsContact O-ND2 3.11Å
469	Q	89.9	Confident	77.8	Confident	80 Å²	80	45.7 Å²	45.7	37%	0.374	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.6	-179.8	-174.1	173.2	-14.4	0	0	110.2	N381 L421 N422	N381-Q469 HydrophobicContact CB-CG 4.49Å; N381-Q469 VanDerWaalsContact CG-NE2 3.31Å; N381-Q469 PolarHBondContact OD1-NE2 2.92Å; L421-Q469 CarbonylContact C-O 3.48Å; L421-Q469 WeakPolarHBondContact CA-O 3.41Å; N422-Q469 PolarHBondContact N-O 2.86Å; N422-Q469 PolarHBondContact OD1-N 3.3Å
470	L	91.6	Very high	79.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.7	169.5	-170.4	66.1	0	0	0	108.3	F360 N381 V382 M400 I419 S420 L421 L426 I444 F472	F360-L470 HydrophobicContact CE2-CD2 4.23Å; F360-L470 HydrophobicContact CZ-CD2 3.74Å; N381-L470 CarbonylContact C-O 3.44Å; N381-L470 WeakPolarHBondContact CA-O 3.45Å; V382-L470 HydrophobicContact CB-CB 4.38Å; V382-L470 PolarHBondContact N-O 3.37Å; V382-L470 PolarHBondContact O-N 2.84Å; M400-L470 HydrophobicContact CE-CD2 4.5Å; M400-L470 HydrophobicContact SD-CD2 3.85Å; I419-L470 HydrophobicContact CG2-CD1 3.77Å; S420-L470 WeakPolarHBondContact O-CA 3.41Å; L421-L470 HydrophobicContact CD1-CB 4.47Å; L421-L470 HydrophobicContact CD1-CD1 4.42Å; L426-L470 HydrophobicContact CD1-CD1 4.38Å; I444-L470 HydrophobicContact CD1-CD1 4.49Å; L470-F472 HydrophobicContact CB-CE2 4.48Å; L470-F472 HydrophobicContact CD1-CZ 4.5Å; L470-F472 HydrophobicContact CD2-CE1 4.43Å; L470-F472 HydrophobicContact CD2-CE2 3.68Å; L470-F472 HydrophobicContact CD2-CZ 3.37Å; L470-F472 HydrophobicContact CG-CE2 3.69Å; L470-F472 HydrophobicContact CG-CZ 3.65Å
471	R	93.1	Very high	80.1	Confident	97 Å²	97	43 Å²	43	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.9	-174.9	179.9	179.4	164.4	159.3	-1.1	109.7	A379 I380 N381 I419 S420 D473	A379-R471 HydrophobicContact CB-CG 3.81Å; I380-R471 WeakPolarHBondContact O-CA 3.25Å; N381-R471 WeakPolarHBondContact OD1-CG 3.38Å; I419-R471 WeakPolarHBondContact CA-O 3.29Å; S420-R471 PolarHBondContact N-O 3.21Å; S420-R471 PolarHBondContact O-N 2.78Å; R471-D473 WeakPolarHBondContact CD-OD2 3.47Å; R471-D473 WeakPolarHBondContact CG-OD2 3.48Å; R471-D473 IonicContact CZ-OD1 3.44Å; R471-D473 IonicContact CZ-OD2 3.02Å; R471-D473 IonicContact NE-OD1 3.31Å; R471-D473 PolarHBondContact NE-OD1 3.16Å; R471-D473 IonicContact NE-OD2 3.39Å; R471-D473 PolarHBondContact NE-OD2 2.84Å; R471-D473 IonicContact NH2-OD1 2.8Å; R471-D473 PolarHBondContact NH2-OD1 3.43Å; R471-D473 IonicContact NH2-OD2 3.16Å
472	F	94.3	Very high	80.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.6	176.7	-56.6	-89.8	0	0	0	109.2	F360 A379 I380 V382 I402 M417 I419 L470 F474 I500	F360-F472 AromaticContact CE2-CE2 3.8Å; F360-F472 HydrophobicContact CE2-CE2 3.8Å; F360-F472 AromaticContact CE2-CZ 3.64Å; F360-F472 HydrophobicContact CE2-CZ 3.64Å; F360-F472 HydrophobicContact CZ-CZ 4.14Å; A379-F472 WeakPolarHBondContact CA-O 3.17Å; I380-F472 HydrophobicContact CB-CB 4.24Å; I380-F472 HydrophobicContact CB-CD2 4.47Å; I380-F472 HydrophobicContact CG2-CD2 4.23Å; I380-F472 PolarHBondContact N-O 3.29Å; I380-F472 PolarHBondContact O-N 3.31Å; V382-F472 HydrophobicContact CG2-CE2 4.22Å; I402-F472 HydrophobicContact CD1-CE1 3.42Å; I402-F472 VanDerWaalsContact CD1-CE1 3.42Å; I402-F472 HydrophobicContact CD1-CZ 3.71Å; M417-F472 HydrophobicContact SD-CD1 4.21Å; I419-F472 HydrophobicContact CD1-CD1 4.16Å; I419-F472 HydrophobicContact CD1-CE1 3.94Å; I419-F472 HydrophobicContact CG1-CD1 3.9Å; I419-F472 HydrophobicContact CG1-CE1 4.12Å; I419-F472 HydrophobicContact CG2-CD1 4.27Å; I419-F472 HydrophobicContact CG2-CE1 4.01Å; L470-F472 HydrophobicContact CB-CE2 4.48Å; L470-F472 HydrophobicContact CD1-CZ 4.5Å; L470-F472 HydrophobicContact CD2-CE1 4.43Å; L470-F472 HydrophobicContact CD2-CE2 3.68Å; L470-F472 HydrophobicContact CD2-CZ 3.37Å; L470-F472 HydrophobicContact CG-CE2 3.69Å; L470-F472 HydrophobicContact CG-CZ 3.65Å; F472-F474 HydrophobicContact CB-CE2 4.14Å; F472-I500 HydrophobicContact CD1-CD1 4.17Å; F472-I500 HydrophobicContact CD2-CG1 4.31Å; F472-I500 HydrophobicContact CG-CD1 4.24Å; F472-I500 HydrophobicContact CG-CG1 4.29Å
473	D	94.9	Very high	80.8	Confident	24 Å²	24	47.1 Å²	47.1	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.4	179.2	-67.5	-77.3	0	0	0	109.2	A379 M417 D418 R471 E475	A379-D473 VanDerWaalsContact CB-OD1 3.22Å; A379-D473 WeakPolarHBondContact CB-OD1 3.39Å; M417-D473 CarbonylContact C-O 3.57Å; M417-D473 VanDerWaalsContact CA-O 3.28Å; M417-D473 WeakPolarHBondContact CA-O 3.12Å; D418-D473 HydrophobicContact CB-CB 4.25Å; D418-D473 PolarHBondContact N-O 3.36Å; D418-D473 PolarHBondContact O-N 2.84Å; R471-D473 WeakPolarHBondContact CD-OD2 3.47Å; R471-D473 WeakPolarHBondContact CG-OD2 3.48Å; R471-D473 IonicContact CZ-OD1 3.44Å; R471-D473 IonicContact CZ-OD2 3.02Å; R471-D473 IonicContact NE-OD1 3.31Å; R471-D473 PolarHBondContact NE-OD1 3.16Å; R471-D473 IonicContact NE-OD2 3.39Å; R471-D473 PolarHBondContact NE-OD2 2.84Å; R471-D473 IonicContact NH2-OD1 2.8Å; R471-D473 PolarHBondContact NH2-OD1 3.43Å; R471-D473 IonicContact NH2-OD2 3.16Å; D473-E475 PolarHBondContact O-N 2.89Å
474	F	93.8	Very high	81.2	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	94.6	175.6	-72	-98.3	0	0	0	109.5	I380 Y404 M417 L431 F472 Y476 V498 I500	I380-F474 HydrophobicContact CD1-CE2 4.09Å; Y404-F474 HydrophobicContact CD2-CE1 4.01Å; Y404-F474 HydrophobicContact CD2-CZ 4.29Å; M417-F474 HydrophobicContact CB-CD1 4.16Å; M417-F474 HydrophobicContact CB-CE1 4.12Å; M417-F474 HydrophobicContact CG-CD1 4.31Å; M417-F474 HydrophobicContact CG-CE1 4.02Å; M417-F474 HydrophobicContact CG-CE2 4.24Å; M417-F474 HydrophobicContact CG-CZ 3.99Å; M417-F474 HydrophobicContact SD-CE1 3.66Å; M417-F474 HydrophobicContact SD-CE2 3.98Å; M417-F474 HydrophobicContact SD-CZ 3.35Å; M417-F474 WeakPolarHBondContact SD-CZ 3.4Å; L431-F474 HydrophobicContact CD1-CD1 4.15Å; L431-F474 HydrophobicContact CD2-CD1 4.21Å; L431-F474 HydrophobicContact CD2-CE1 4.33Å; F472-F474 HydrophobicContact CB-CE2 4.14Å; F474-Y476 HydrophobicContact CB-CE2 4.08Å; F474-V498 HydrophobicContact CB-CB 4.38Å; F474-V498 HydrophobicContact CB-CG1 3.77Å; F474-V498 HydrophobicContact CB-CG2 4.3Å; F474-V498 HydrophobicContact CD1-CB 3.95Å; F474-V498 HydrophobicContact CD1-CG1 3.56Å; F474-V498 HydrophobicContact CD2-CB 3.81Å; F474-V498 HydrophobicContact CD2-CG1 4.12Å; F474-V498 HydrophobicContact CD2-CG2 3.7Å; F474-V498 HydrophobicContact CE1-CB 4.11Å; F474-V498 HydrophobicContact CE1-CG1 4.11Å; F474-V498 HydrophobicContact CE2-CB 3.99Å; F474-V498 HydrophobicContact CE2-CG2 4.13Å; F474-V498 HydrophobicContact CG-CB 3.79Å; F474-V498 HydrophobicContact CG-CG1 3.55Å; F474-V498 HydrophobicContact CG-CG2 3.98Å; F474-V498 HydrophobicContact CZ-CB 4.12Å; F474-I500 HydrophobicContact CE2-CD1 4.09Å; F474-I500 HydrophobicContact CZ-CD1 3.85Å
475	E	92.5	Very high	81.7	Confident	88 Å²	88	46.7 Å²	46.7	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	109.9	-179.7	-62.2	-173.6	167.7	0	0	110	S415 R416 D473	S415-E475 CarbonylContact C-O 3.58Å; S415-E475 WeakPolarHBondContact CA-O 3.43Å; R416-E475 HydrophobicContact CG-CB 4.13Å; R416-E475 IonicContact CZ-OE2 3.2Å; R416-E475 PolarHBondContact N-O 2.93Å; R416-E475 IonicContact NE-OE2 2.81Å; R416-E475 PolarHBondContact NE-OE2 2.79Å; R416-E475 IonicContact NH2-OE1 3.76Å; R416-E475 IonicContact NH2-OE2 3.2Å; R416-E475 PolarHBondContact NH2-OE2 2.78Å; R416-E475 PolarHBondContact O-N 3.25Å; D473-E475 PolarHBondContact O-N 2.89Å
476	Y	89.4	Confident	82.6	Confident	26 Å²	26	54.1 Å²	54.1	10%	0.102	32%	0.316	C	S	.	.			trans	-95.1	130.4	175.3	-75.9	-93.5	0	0	0	111.3	P377 Y406 T407 P409 L431 F474 N478 N496 V498	P377-Y476 HydrophobicContact CG-CD2 4.35Å; P377-Y476 HydrophobicContact CG-CE2 4.16Å; Y406-Y476 WeakPolarHBondContact CB-OH 3.19Å; T407-Y476 PolarHBondContact N-OH 3.06Å; T407-Y476 WeakPolarHBondContact O-CE1 3.17Å; T407-Y476 PolarHBondContact O-OH 3.1Å; T407-Y476 VanDerWaalsContact O-OH 3.06Å; P409-Y476 HydrophobicContact CG-CD1 4.29Å; P409-Y476 HydrophobicContact CG-CE1 4.16Å; L431-Y476 HydrophobicContact CD1-CD1 4.47Å; L431-Y476 HydrophobicContact CD1-CE1 3.98Å; L431-Y476 HydrophobicContact CD1-CE2 4.17Å; F474-Y476 HydrophobicContact CB-CE2 4.08Å; Y476-N478 PolarHBondContact O-N 2.85Å; Y476-N496 HydrophobicContact CD2-CB 4.02Å; Y476-N496 HydrophobicContact CE1-CB 4.25Å; Y476-N496 HydrophobicContact CE2-CB 3.65Å; Y476-N496 HydrophobicContact CG-CB 4.44Å; Y476-V498 HydrophobicContact CE2-CG1 3.86Å; Y476-V498 WeakPolarHBondContact OH-CG1 3.47Å
477	M	85	Confident	83	Confident	84 Å²	84	57.8 Å²	57.8	41%	0.414	33%	0.331	S	S	.	.			trans	-81.5	88.2	161.7	-165.1	-172.2	91.3	0	0	107.1	D413 S415 P479	D413-M477 HydrophobicContact CB-CB 4.12Å; D413-M477 HydrophobicContact CB-CE 3.19Å; D413-M477 HydrophobicContact CB-CG 4.48Å; D413-M477 HydrophobicContact CB-SD 3.79Å; S415-M477 PolarHBondContact OG-N 2.81Å; M477-P479 WeakPolarHBondContact O-CD 3.38Å
478	N	76.3	Confident	83	Confident	50 Å²	50	56.5 Å²	56.5	27%	0.267	33%	0.325	S	S	.	.			trans	-80.2	101.1	177	-65.3	-45.1	0	0	0	109.3	L375 Y476 M480 N496	L375-N478 PolarHBondContact O-ND2 2.85Å; Y476-N478 PolarHBondContact O-N 2.85Å; N478-M480 PolarHBondContact O-N 2.85Å; N478-N496 PolarHBondContact OD1-ND2 3.4Å; N478-N496 VanDerWaalsContact OD1-ND2 3.15Å
479	P	72.7	Confident	82.5	Confident	67 Å²	67	60.3 Å²	60.3	44%	0.435	34%	0.344	S	S	.	.			trans	-66.6	112.3	176.7	29	-35.1	0	0	0	109.4	P410 V411 M477 P481	P410-P479 HydrophobicContact CG-CG 4.42Å; V411-P479 HydrophobicContact CG2-CG 4.31Å; M477-P479 WeakPolarHBondContact O-CD 3.38Å; P479-P481 VanDerWaalsContact O-CD 3.29Å; P479-P481 WeakPolarHBondContact O-CD 3.28Å
480	M	71.4	Confident	81.8	Confident	30 Å²	30	62.6 Å²	62.6	15%	0.148	36%	0.364	C	S	.	.			trans	-100	98.7	173.7	-67	-168.4	166.2	0	0	107.9	I80 P173 A174 L375 N478 G482 F491	I80-M480 HydrophobicContact CG2-CE 3.66Å; I80-M480 HydrophobicContact CG2-SD 3.78Å; P173-M480 HydrophobicContact CB-SD 4.43Å; P173-M480 HydrophobicContact CG-CE 4.29Å; P173-M480 HydrophobicContact CG-SD 3.7Å; A174-M480 HydrophobicContact CB-SD 3.69Å; L375-M480 HydrophobicContact CD1-CE 4.02Å; L375-M480 HydrophobicContact CD2-CE 4.44Å; N478-M480 PolarHBondContact O-N 2.85Å; M480-G482 PolarHBondContact O-N 2.94Å; M480-G482 VanDerWaalsContact O-N 3.13Å; M480-F491 HydrophobicContact CB-CE1 3.9Å; M480-F491 HydrophobicContact CB-CE2 4.28Å; M480-F491 HydrophobicContact CB-CZ 3.4Å; M480-F491 VanDerWaalsContact CB-CZ 3.4Å; M480-F491 HydrophobicContact CE-CE2 4.27Å; M480-F491 HydrophobicContact CE-CZ 4.38Å; M480-F491 HydrophobicContact CG-CE1 4.34Å; M480-F491 HydrophobicContact CG-CE2 3.83Å; M480-F491 HydrophobicContact CG-CZ 3.37Å; M480-F491 HydrophobicContact SD-CE2 4.36Å; M480-F491 HydrophobicContact SD-CZ 3.89Å
481	P	68	Low	81	Confident	58 Å²	58	66 Å²	66	38%	0.377	38%	0.379	S	S	.	.			trans	-59.4	121.1	179.3	22.7	-31.3	0	0	0	109.5	P479 I489 F491	P479-P481 VanDerWaalsContact O-CD 3.29Å; P479-P481 WeakPolarHBondContact O-CD 3.28Å; P481-I489 HydrophobicContact CB-CB 4.47Å; P481-I489 HydrophobicContact CB-CD1 4.37Å; P481-I489 HydrophobicContact CB-CG2 4.15Å; P481-I489 HydrophobicContact CG-CG2 3.86Å; P481-F491 HydrophobicContact CG-CD1 3.78Å; P481-F491 HydrophobicContact CG-CE1 4.21Å; P481-F491 HydrophobicContact CG-CG 4.47Å
482	G	67.1	Low	80.2	Confident	53 Å²	53	69.6 Å²	69.6	55%	0.546	40%	0.4	S	S	.	.			trans	-77.4	162.4	166.1	0	0	0	0	0	110.9	M480	M480-G482 PolarHBondContact O-N 2.94Å; M480-G482 VanDerWaalsContact O-N 3.13Å
483	G	72.1	Confident	79.4	Confident	36 Å²	36	72.4 Å²	72.4	37%	0.371	42%	0.418	S	S	.	.			trans	-137.3	168.8	173.9	0	0	0	0	0	111.6	N487	G483-N487 VanDerWaalsContact CA-O 3.23Å; G483-N487 WeakPolarHBondContact CA-O 3.22Å
484	S	77.3	Confident	78.8	Confident	61 Å²	61	76.7 Å²	76.7	43%	0.427	45%	0.445	S	S	.	.			trans	-91.6	168.6	161.4	64.5	0	0	0	0	109.3	D486 N487 C488	S484-D486 PolarHBondContact O-N 2.87Å; S484-D486 PolarHBondContact OG-N 2.83Å; S484-N487 PolarHBondContact N-O 3.32Å; S484-N487 CarbonylContact O-C 3.58Å; S484-N487 PolarHBondContact O-N 2.94Å; S484-N487 VanDerWaalsContact O-N 3.14Å; S484-N487 PolarHBondContact OG-N 3.36Å; S484-N487 VanDerWaalsContact OG-N 3.08Å; S484-C488 PolarHBondContact O-N 2.89Å
485	V	76.3	Confident	78.5	Confident	109 Å²	109	81.6 Å²	81.6	66%	0.661	47%	0.468	S	S	*	.	S	Bend	trans	-55	-36.4	170.7	179.2	0	0	0	0	110.9
486	D	84.1	Confident	78.4	Confident	160 Å²	160	78 Å²	78	86%	0.856	45%	0.452	S	S	*	.	S	Bend	trans	-78	-25.1	179.9	-56.1	-44.1	0	0	0	113.9	S484	S484-D486 PolarHBondContact O-N 2.87Å; S484-D486 PolarHBondContact OG-N 2.83Å
487	N	83.3	Confident	78.6	Confident	107 Å²	107	81.7 Å²	81.7	57%	0.572	47%	0.47	S	S	*	.	S	Bend	trans	-135.4	72.8	-179.8	-173.9	31.4	0	0	0	109.9	G483 S484	G483-N487 VanDerWaalsContact CA-O 3.23Å; G483-N487 WeakPolarHBondContact CA-O 3.22Å; S484-N487 PolarHBondContact N-O 3.32Å; S484-N487 CarbonylContact O-C 3.58Å; S484-N487 PolarHBondContact O-N 2.94Å; S484-N487 VanDerWaalsContact O-N 3.14Å; S484-N487 PolarHBondContact OG-N 3.36Å; S484-N487 VanDerWaalsContact OG-N 3.08Å
488	C	81.8	Confident	79.1	Confident	49 Å²	49	77.8 Å²	77.8	33%	0.331	45%	0.45	S	S	.	.			trans	-85.7	122.9	-178	-170.7	0	0	0	0	112.5	C170 S484	C170-C488 WeakPolarHBondContact CA-SG 2.96Å; C170-C488 HydrophobicContact CB-CB 3.68Å; C170-C488 WeakPolarHBondContact CB-SG 3.24Å; C170-C488 WeakPolarHBondContact SG-CA 3.47Å; C170-C488 WeakPolarHBondContact SG-CB 3.46Å; C170-C488 CovalentContact SG-SG 2.04Å; C170-C488 PolarHBondContact SG-SG 3.39Å; S484-C488 PolarHBondContact O-N 2.89Å
489	I	78.3	Confident	79.9	Confident	81 Å²	81	77.7 Å²	77.7	42%	0.415	45%	0.451	S	S	.	.			trans	-104	106	173	-57	176.1	0	0	0	107.6	P481	P481-I489 HydrophobicContact CB-CB 4.47Å; P481-I489 HydrophobicContact CB-CD1 4.37Å; P481-I489 HydrophobicContact CB-CG2 4.15Å; P481-I489 HydrophobicContact CG-CG2 3.86Å
490	T	73.9	Confident	80.9	Confident	128 Å²	128	74.5 Å²	74.5	79%	0.785	43%	0.431	S	S	*	.			trans	-91.4	136	169.7	55.6	0	0	0	0	109.5
491	F	74.4	Confident	81.9	Confident	70 Å²	70	73.9 Å²	73.9	31%	0.307	43%	0.432	S	S	.	.			trans	-134.9	146.2	173.9	65.1	-83.4	0	0	0	108.8	P173 M480 P481 P493	P173-F491 HydrophobicContact CG-CZ 4.06Å; M480-F491 HydrophobicContact CB-CE1 3.9Å; M480-F491 HydrophobicContact CB-CE2 4.28Å; M480-F491 HydrophobicContact CB-CZ 3.4Å; M480-F491 VanDerWaalsContact CB-CZ 3.4Å; M480-F491 HydrophobicContact CE-CE2 4.27Å; M480-F491 HydrophobicContact CE-CZ 4.38Å; M480-F491 HydrophobicContact CG-CE1 4.34Å; M480-F491 HydrophobicContact CG-CE2 3.83Å; M480-F491 HydrophobicContact CG-CZ 3.37Å; M480-F491 HydrophobicContact SD-CE2 4.36Å; M480-F491 HydrophobicContact SD-CZ 3.89Å; P481-F491 HydrophobicContact CG-CD1 3.78Å; P481-F491 HydrophobicContact CG-CE1 4.21Å; P481-F491 HydrophobicContact CG-CG 4.47Å; F491-P493 WeakPolarHBondContact O-CD 3.26Å
492	Q	77	Confident	83.3	Confident	173 Å²	173	74.4 Å²	74.4	81%	0.808	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-89.6	117	171.4	-176.7	175	-26.4	0	0	108.3	V494	Q492-V494 PolarHBondContact O-N 3.15Å
493	P	78.3	Confident	84.6	Confident	60 Å²	60	76.6 Å²	76.6	39%	0.39	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-61	132.5	173.6	19.8	-27.3	0	0	0	110.5	L375 F491	L375-P493 HydrophobicContact CD1-CB 3.82Å; L375-P493 HydrophobicContact CD1-CG 4.41Å; L375-P493 HydrophobicContact CD2-CB 3.69Å; L375-P493 HydrophobicContact CG-CB 4.21Å; F491-P493 WeakPolarHBondContact O-CD 3.26Å
494	V	81.9	Confident	85.6	Confident	114 Å²	114	74.9 Å²	74.9	69%	0.691	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-102.2	137.2	172.4	-177.3	0	0	0	0	108.3	Q492	Q492-V494 PolarHBondContact O-N 3.15Å
495	Q	87.4	Confident	86.4	Confident	110 Å²	110	73.7 Å²	73.7	51%	0.514	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70	132.7	178.6	-67.2	-179.2	-16.9	0	0	111.1	H497	Q495-H497 PolarHBondContact O-ND1 2.72Å
496	N	91.4	Very high	87.1	Confident	13 Å²	13	68.5 Å²	68.5	7%	0.07	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143.1	168	-59	-47.8	0	0	0	108.9	S373 G374 L375 P377 Y476 N478	S373-N496 CarbonylContact C-O 3.57Å; S373-N496 WeakPolarHBondContact CA-O 3.31Å; G374-N496 PolarHBondContact N-O 2.94Å; G374-N496 WeakPolarHBondContact O-CA 3.15Å; G374-N496 VanDerWaalsContact O-CB 3.29Å; G374-N496 WeakPolarHBondContact O-CB 3.38Å; G374-N496 PolarHBondContact O-N 2.96Å; L375-N496 PolarHBondContact O-ND2 2.8Å; P377-N496 HydrophobicContact CG-CB 4.03Å; Y476-N496 HydrophobicContact CD2-CB 4.02Å; Y476-N496 HydrophobicContact CE1-CB 4.25Å; Y476-N496 HydrophobicContact CE2-CB 3.65Å; Y476-N496 HydrophobicContact CG-CB 4.44Å; N478-N496 PolarHBondContact OD1-ND2 3.4Å; N478-N496 VanDerWaalsContact OD1-ND2 3.15Å
497	H	92.9	Very high	87.4	Confident	103 Å²	103	61.8 Å²	61.8	48%	0.477	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.5	175.4	-67.7	75.4	0	0	0	108.3	Y406 T407 Q495	Y406-H497 CarbonylContact C-O 3.52Å; Y406-H497 VanDerWaalsContact CA-O 3.31Å; Y406-H497 WeakPolarHBondContact CA-O 3.02Å; T407-H497 PolarHBondContact N-O 2.86Å; T407-H497 PolarHBondContact OG1-N 3.06Å; T407-H497 PolarHBondContact OG1-O 2.79Å; Q495-H497 PolarHBondContact O-ND1 2.72Å
498	V	94.4	Very high	87.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141	-178.9	-60.4	0	0	0	0	109.9	Q371 S372 P377 I380 R405 F474 Y476	Q371-V498 CarbonylContact C-O 3.52Å; Q371-V498 VanDerWaalsContact CA-O 3.24Å; Q371-V498 WeakPolarHBondContact CA-O 3.35Å; S372-V498 PolarHBondContact N-O 3.16Å; S372-V498 WeakPolarHBondContact O-CG2 3.39Å; S372-V498 PolarHBondContact O-N 2.86Å; P377-V498 HydrophobicContact CB-CG2 3.79Å; P377-V498 HydrophobicContact CG-CG1 4.32Å; P377-V498 HydrophobicContact CG-CG2 4.31Å; I380-V498 HydrophobicContact CD1-CG2 4.09Å; R405-V498 CarbonylContact O-C 3.3Å; R405-V498 WeakPolarHBondContact O-CA 3.34Å; F474-V498 HydrophobicContact CB-CB 4.38Å; F474-V498 HydrophobicContact CB-CG1 3.77Å; F474-V498 HydrophobicContact CB-CG2 4.3Å; F474-V498 HydrophobicContact CD1-CB 3.95Å; F474-V498 HydrophobicContact CD1-CG1 3.56Å; F474-V498 HydrophobicContact CD2-CB 3.81Å; F474-V498 HydrophobicContact CD2-CG1 4.12Å; F474-V498 HydrophobicContact CD2-CG2 3.7Å; F474-V498 HydrophobicContact CE1-CB 4.11Å; F474-V498 HydrophobicContact CE1-CG1 4.11Å; F474-V498 HydrophobicContact CE2-CB 3.99Å; F474-V498 HydrophobicContact CE2-CG2 4.13Å; F474-V498 HydrophobicContact CG-CB 3.79Å; F474-V498 HydrophobicContact CG-CG1 3.55Å; F474-V498 HydrophobicContact CG-CG2 3.98Å; F474-V498 HydrophobicContact CZ-CB 4.12Å; Y476-V498 HydrophobicContact CE2-CG1 3.86Å; Y476-V498 WeakPolarHBondContact OH-CG1 3.47Å
499	V	94.5	Very high	88.1	Confident	48 Å²	48	56.6 Å²	56.6	29%	0.291	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.5	-176.1	-175.8	0	0	0	0	109	L370 Q371 Y404 R405	L370-V499 CarbonylContact O-C 3.52Å; L370-V499 WeakPolarHBondContact O-CA 3.48Å; Q371-V499 HydrophobicContact CB-CB 4.47Å; Q371-V499 HydrophobicContact CB-CG1 4.44Å; Q371-V499 HydrophobicContact CB-CG2 3.92Å; Y404-V499 CarbonylContact C-O 3.58Å; Y404-V499 WeakPolarHBondContact CA-O 3.22Å; Y404-V499 WeakPolarHBondContact CB-O 3.18Å; R405-V499 HydrophobicContact CB-CB 4.43Å; R405-V499 PolarHBondContact N-O 2.88Å; R405-V499 PolarHBondContact O-N 3.45Å
500	I	93.9	Very high	88.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.4	160.4	-56	-59.9	0	0	0	107	F360 L370 I380 I402 M417 F472 F474 S504	F360-I500 HydrophobicContact CD2-CG2 3.62Å; F360-I500 HydrophobicContact CE2-CG2 3.97Å; L370-I500 HydrophobicContact CB-CB 4.39Å; L370-I500 WeakPolarHBondContact CB-O 3.2Å; L370-I500 PolarHBondContact O-N 2.8Å; I380-I500 HydrophobicContact CD1-CG1 4.03Å; I380-I500 HydrophobicContact CG2-CG1 4.11Å; I402-I500 HydrophobicContact CG2-CD1 4.16Å; I402-I500 HydrophobicContact CG2-CG2 4.15Å; M417-I500 HydrophobicContact SD-CD1 4.25Å; F472-I500 HydrophobicContact CD1-CD1 4.17Å; F472-I500 HydrophobicContact CD2-CG1 4.31Å; F472-I500 HydrophobicContact CG-CD1 4.24Å; F472-I500 HydrophobicContact CG-CG1 4.29Å; F474-I500 HydrophobicContact CE2-CD1 4.09Å; F474-I500 HydrophobicContact CZ-CD1 3.85Å; I500-S504 WeakPolarHBondContact CG2-OG 3.4Å
501	G	92.6	Very high	89.2	Confident	17 Å²	17	54.2 Å²	54.2	18%	0.175	28%	0.284	C	S	.	.			trans	-66.7	137.7	-177.7	0	0	0	0	0	111.7	N403 D503 S504	N403-G501 PolarHBondContact O-N 3.01Å; G501-D503 PolarHBondContact O-N 3.1Å; G501-D503 VanDerWaalsContact O-N 3.1Å; G501-S504 WeakPolarHBondContact O-CB 3.39Å; G501-S504 PolarHBondContact O-N 2.8Å; G501-S504 PolarHBondContact O-OG 3.16Å
502	D	95.5	Very high	89.9	Confident	70 Å²	70	55.3 Å²	55.3	37%	0.374	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.1	173.2	-80.1	29.6	0	0	0	112.8	T359 F360 G361 K364 S504	T359-D502 WeakPolarHBondContact CB-O 3.19Å; T359-D502 PolarHBondContact OG1-O 2.81Å; F360-D502 PolarHBondContact N-O 2.95Å; G361-D502 PolarHBondContact N-O 3Å; K364-D502 IonicContact NZ-OD2 3.19Å; K364-D502 PolarHBondContact NZ-OD2 3.14Å; D502-S504 VanDerWaalsContact C-N 3.34Å
503	D	94.5	Very high	90.7	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.5	178	68.6	-19.8	0	0	0	113.8	N403 G501 T505	N403-D503 PolarHBondContact ND2-OD1 3.06Å; N403-D503 PolarHBondContact ND2-OD2 2.96Å; G501-D503 PolarHBondContact O-N 3.1Å; G501-D503 VanDerWaalsContact O-N 3.1Å; D503-T505 WeakPolarHBondContact O-CG2 3.35Å
504	S	93.5	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.			trans	-59.5	138.8	166.5	-57.2	0	0	0	0	109.1	T359 F360 D401 N403 I500 G501 D502	T359-S504 CarbonylContact C-O 3.4Å; T359-S504 WeakPolarHBondContact CA-O 3.21Å; F360-S504 PolarHBondContact N-O 2.93Å; D401-S504 CarbonylContact O-C 3.58Å; D401-S504 WeakPolarHBondContact O-CA 3Å; D401-S504 WeakPolarHBondContact O-CB 3.5Å; N403-S504 PolarHBondContact N-OG 3.18Å; N403-S504 PolarHBondContact O-OG 3.22Å; N403-S504 VanDerWaalsContact O-OG 3.12Å; I500-S504 WeakPolarHBondContact CG2-OG 3.4Å; G501-S504 WeakPolarHBondContact O-CB 3.39Å; G501-S504 PolarHBondContact O-N 2.8Å; G501-S504 PolarHBondContact O-OG 3.16Å; D502-S504 VanDerWaalsContact C-N 3.34Å
505	T	93.6	Very high	91.7	Very high	37 Å²	37	41.3 Å²	41.3	23%	0.227	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153	-174	65.3	0	0	0	0	113	V358 T359 M400 D401 D503	V358-T505 CarbonylContact O-C 3.54Å; V358-T505 VanDerWaalsContact O-CA 3.24Å; V358-T505 WeakPolarHBondContact O-CA 3.38Å; T359-T505 HydrophobicContact CG2-CG2 4.16Å; M400-T505 CarbonylContact C-O 3.6Å; M400-T505 WeakPolarHBondContact CA-O 3.43Å; D401-T505 PolarHBondContact N-O 3.09Å; D401-T505 PolarHBondContact O-N 3.3Å; D503-T505 WeakPolarHBondContact O-CG2 3.35Å
506	I	91.2	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	168.3	-173.3	165.2	0	0	0	108.9	V358 F360 L363 L384 I398 M400 F508	V358-I506 HydrophobicContact CB-CG2 4.36Å; V358-I506 PolarHBondContact N-O 3.32Å; V358-I506 PolarHBondContact O-N 3.48Å; F360-I506 HydrophobicContact CE1-CB 4.15Å; F360-I506 HydrophobicContact CE1-CG2 4.22Å; L363-I506 HydrophobicContact CD1-CG2 4.15Å; L384-I506 HydrophobicContact CD1-CD1 3.75Å; L384-I506 HydrophobicContact CD2-CD1 4.38Å; L384-I506 HydrophobicContact CD2-CG2 4.46Å; I398-I506 HydrophobicContact CG2-CD1 4.04Å; I398-I506 HydrophobicContact CG2-CG1 3.58Å; M400-I506 HydrophobicContact CG-CB 4.16Å; M400-I506 HydrophobicContact CG-CD1 4.04Å; M400-I506 HydrophobicContact CG-CG1 3.84Å; M400-I506 HydrophobicContact SD-CD1 3.99Å; M400-I506 HydrophobicContact SD-CG1 4.42Å; I506-F508 HydrophobicContact CB-CE2 4.42Å; I506-F508 HydrophobicContact CD1-CE2 3.5Å; I506-F508 VanDerWaalsContact CD1-CE2 3.5Å; I506-F508 HydrophobicContact CD1-CZ 3.57Å; I506-F508 HydrophobicContact CG1-CD2 4.2Å; I506-F508 HydrophobicContact CG1-CE2 3.51Å; I506-F508 HydrophobicContact CG1-CZ 3.96Å; I506-F508 HydrophobicContact CG2-CE2 4.13Å
507	D	91.2	Very high	91.8	Very high	18 Å²	18	37.9 Å²	37.9	10%	0.096	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.3	-172.5	-174	16.1	0	0	0	113.3	P357 D399 S509	P357-D507 HydrophobicContact CB-CB 4.24Å; P357-D507 HydrophobicContact CG-CB 4.14Å; D399-D507 HydrophobicContact CB-CB 4.45Å; D399-D507 PolarHBondContact O-N 3.27Å; D507-S509 VanDerWaalsContact CG-OG 3.31Å; D507-S509 WeakPolarHBondContact OD1-CB 3.37Å; D507-S509 PolarHBondContact OD1-N 2.84Å; D507-S509 PolarHBondContact OD1-OG 2.78Å; D507-S509 PolarHBondContact OD2-OG 3.06Å
508	F	90.1	Very high	91.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.			trans	-101.6	4.4	172	-63.5	-84.8	0	0	0	113.2	V352 T354 L386 L390 I398 I506 K510 Y511	V352-F508 HydrophobicContact CG1-CD2 3.79Å; V352-F508 HydrophobicContact CG1-CE2 3.86Å; T354-F508 HydrophobicContact CG2-CB 4.09Å; L386-F508 HydrophobicContact CD1-CD1 4.47Å; L386-F508 HydrophobicContact CD1-CE1 3.59Å; L386-F508 HydrophobicContact CD1-CZ 3.77Å; L386-F508 HydrophobicContact CD2-CD1 3.91Å; L386-F508 HydrophobicContact CD2-CD2 3.98Å; L386-F508 HydrophobicContact CD2-CE1 3.6Å; L386-F508 HydrophobicContact CD2-CE2 3.71Å; L386-F508 HydrophobicContact CD2-CG 4.08Å; L386-F508 HydrophobicContact CD2-CZ 3.52Å; L386-F508 HydrophobicContact CG-CE1 4.27Å; L386-F508 HydrophobicContact CG-CZ 4.22Å; L390-F508 HydrophobicContact CD1-CD1 4.16Å; I398-F508 HydrophobicContact CD1-CD1 4.24Å; I398-F508 HydrophobicContact CD1-CE1 3.33Å; I398-F508 HydrophobicContact CD1-CZ 3.78Å; I398-F508 HydrophobicContact CG1-CD1 4.44Å; I398-F508 HydrophobicContact CG1-CE1 3.97Å; I398-F508 HydrophobicContact CG2-CE1 4.25Å; I398-F508 HydrophobicContact CG2-CZ 4.3Å; I506-F508 HydrophobicContact CB-CE2 4.42Å; I506-F508 HydrophobicContact CD1-CE2 3.5Å; I506-F508 VanDerWaalsContact CD1-CE2 3.5Å; I506-F508 HydrophobicContact CD1-CZ 3.57Å; I506-F508 HydrophobicContact CG1-CD2 4.2Å; I506-F508 HydrophobicContact CG1-CE2 3.51Å; I506-F508 HydrophobicContact CG1-CZ 3.96Å; I506-F508 HydrophobicContact CG2-CE2 4.13Å; F508-K510 PolarHBondContact O-N 2.69Å; F508-Y511 HydrophobicContact CB-CD2 4.4Å; F508-Y511 WeakPolarHBondContact O-CD2 3.34Å; F508-Y511 PolarHBondContact O-N 3.25Å
509	S	89.9	Confident	91.6	Very high	48 Å²	48	35.6 Å²	35.6	34%	0.336	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.1	-173.3	69.2	0	0	0	0	115.3	T354 D507 Y511	T354-S509 VanDerWaalsContact O-CA 3.3Å; T354-S509 WeakPolarHBondContact O-CA 3.14Å; D507-S509 VanDerWaalsContact CG-OG 3.31Å; D507-S509 WeakPolarHBondContact OD1-CB 3.37Å; D507-S509 PolarHBondContact OD1-N 2.84Å; D507-S509 PolarHBondContact OD1-OG 2.78Å; D507-S509 PolarHBondContact OD2-OG 3.06Å; S509-Y511 VanDerWaalsContact C-N 3.3Å
510	K	86.3	Confident	91.6	Very high	134 Å²	134	33.4 Å²	33.4	58%	0.583	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.5	-179.8	-59.4	174.6	-168.7	168.4	0	113.1	D399 F508	D399-K510 IonicContact OD2-NZ 3.81Å; D399-K510 PolarHBondContact OD2-NZ 3.07Å; F508-K510 PolarHBondContact O-N 2.69Å
511	Y	87.8	Confident	91.4	Very high	24 Å²	24	36.9 Å²	36.9	9%	0.094	19%	0.188	C	C	.	.			trans	-98.3	140.9	-174.3	-66	-98.2	0	0	0	111.2	L392 S395 G397 I398 F508 S509	L392-Y511 HydrophobicContact CD2-CD1 3.7Å; L392-Y511 HydrophobicContact CD2-CE1 3.55Å; S395-Y511 VanDerWaalsContact CB-OH 3.27Å; S395-Y511 WeakPolarHBondContact CB-OH 3.43Å; S395-Y511 WeakPolarHBondContact OG-CE1 3.28Å; S395-Y511 PolarHBondContact OG-OH 2.91Å; G397-Y511 PolarHBondContact O-OH 3.05Å; I398-Y511 WeakPolarHBondContact CA-OH 3.36Å; I398-Y511 HydrophobicContact CG1-CE2 4.32Å; I398-Y511 VanDerWaalsContact CG1-OH 3.31Å; I398-Y511 WeakPolarHBondContact CG1-OH 3.2Å; I398-Y511 PolarHBondContact N-OH 3.16Å; F508-Y511 HydrophobicContact CB-CD2 4.4Å; F508-Y511 WeakPolarHBondContact O-CD2 3.34Å; F508-Y511 PolarHBondContact O-N 3.25Å; S509-Y511 VanDerWaalsContact C-N 3.3Å
512	Y	90.9	Very high	91.5	Very high	93 Å²	93	36.1 Å²	36.1	37%	0.365	18%	0.181	S	C	.	.			trans	-88.9	153.6	175	-64.2	-69.9	0	0	0	111	Y391 P719 E722	Y391-Y512 WeakPolarHBondContact CB-O 3.19Å; Y391-Y512 PolarHBondContact N-O 3.35Å; Y512-P719 HydrophobicContact CD1-CG 4.26Å; Y512-P719 HydrophobicContact CD2-CG 4.25Å; Y512-P719 HydrophobicContact CE1-CG 3.71Å; Y512-P719 HydrophobicContact CE2-CG 3.69Å; Y512-P719 VanDerWaalsContact CZ-CG 3.4Å; Y512-E722 HydrophobicContact CE2-CG 4.49Å
513	H	92.8	Very high	91.5	Very high	30 Å²	30	33 Å²	33	14%	0.139	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-95.3	108.4	172.6	-69.5	-87.8	0	0	0	109.8	Y346 T354 D389 G716 H717	Y346-H513 AromaticContact CD1-CE1 3.51Å; Y346-H513 AromaticContact CD1-ND1 3.71Å; Y346-H513 AromaticContact CD2-CE1 3.91Å; Y346-H513 AromaticContact CD2-NE2 3.84Å; Y346-H513 AromaticContact CE1-CE1 3.62Å; Y346-H513 AromaticContact CE1-CG 3.95Å; Y346-H513 AromaticContact CE1-ND1 3.29Å; Y346-H513 VanDerWaalsContact CE1-ND1 3.29Å; Y346-H513 WeakPolarHBondContact CE1-ND1 3.35Å; Y346-H513 HydrophobicContact CE2-CB 4.27Å; Y346-H513 AromaticContact CE2-CD2 3.85Å; Y346-H513 AromaticContact CE2-CG 3.76Å; Y346-H513 AromaticContact CE2-ND1 3.88Å; Y346-H513 AromaticContact CG-CE1 3.68Å; Y346-H513 AromaticContact CG-NE2 3.98Å; Y346-H513 AromaticContact CZ-CE1 3.88Å; Y346-H513 AromaticContact CZ-CG 3.53Å; Y346-H513 AromaticContact CZ-ND1 3.39Å; Y346-H513 WeakPolarHBondContact OH-CB 3.4Å; T354-H513 PolarHBondContact OG1-CE1 2.84Å; T354-H513 PolarHBondContact OG1-NE2 3.23Å; D389-H513 CarbonylContact O-C 3.55Å; D389-H513 WeakPolarHBondContact O-CA 3.42Å; D389-H513 IonicContact OD1-CE1 3.26Å; D389-H513 IonicContact OD1-CG 3.78Å; D389-H513 IonicContact OD1-ND1 3.97Å; D389-H513 PolarHBondContact OD1-ND1 3.44Å; D389-H513 IonicContact OD2-CG 3.64Å; D389-H513 IonicContact OD2-ND1 2.66Å; H513-G716 CarbonylContact O-C 3.48Å; H513-G716 VanDerWaalsContact O-CA 3.28Å; H513-G716 WeakPolarHBondContact O-CA 3.42Å; H513-H717 PolarHBondContact O-N 3.48Å
514	F	91.4	Very high	91.4	Very high	14 Å²	14	28.4 Å²	28.4	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	128.5	179	176.4	-94.9	0	0	0	111.2	D389 Y391 Y714 V715 L718 Y726	D389-F514 CarbonylContact O-C 3.6Å; D389-F514 PolarHBondContact O-N 3.33Å; Y391-F514 HydrophobicContact CD2-CD1 4.02Å; Y391-F514 HydrophobicContact CE2-CD1 4.5Å; F514-Y714 AromaticContact CE1-CD1 3.77Å; F514-Y714 HydrophobicContact CE1-CD1 3.77Å; F514-Y714 HydrophobicContact CE1-CE1 4.24Å; F514-Y714 AromaticContact CE2-CD1 3.89Å; F514-Y714 HydrophobicContact CE2-CD1 3.89Å; F514-Y714 AromaticContact CE2-CG 3.97Å; F514-Y714 HydrophobicContact CE2-CG 3.97Å; F514-Y714 AromaticContact CZ-CD1 3.18Å; F514-Y714 HydrophobicContact CZ-CD1 3.18Å; F514-Y714 AromaticContact CZ-CE1 3.87Å; F514-Y714 HydrophobicContact CZ-CE1 3.87Å; F514-Y714 AromaticContact CZ-CG 3.67Å; F514-Y714 HydrophobicContact CZ-CG 3.67Å; F514-V715 WeakPolarHBondContact CA-O 3.48Å; F514-L718 HydrophobicContact CB-CB 4.29Å; F514-L718 HydrophobicContact CB-CD1 3.55Å; F514-L718 HydrophobicContact CD1-CD1 3.9Å; F514-L718 HydrophobicContact CD2-CB 3.79Å; F514-L718 HydrophobicContact CD2-CD1 4.29Å; F514-L718 HydrophobicContact CE2-CB 4.22Å; F514-L718 HydrophobicContact CG-CB 4.06Å; F514-L718 HydrophobicContact CG-CD1 3.67Å; F514-L718 HydrophobicContact CG-CG 4.37Å; F514-Y726 HydrophobicContact CE1-CD1 4.4Å; F514-Y726 HydrophobicContact CE1-CE1 4.22Å; F514-Y726 HydrophobicContact CE1-CE2 4.36Å; F514-Y726 HydrophobicContact CZ-CE1 4.42Å
515	I	89.7	Confident	91.2	Very high	10 Å²	10	30 Å²	30	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138	-179.9	-166.8	174.9	0	0	0	112.4	P388 D389 M517 A522 F528 V715	P388-I515 HydrophobicContact CB-CD1 4.24Å; D389-I515 HydrophobicContact CB-CB 3.78Å; D389-I515 HydrophobicContact CB-CG2 3.72Å; I515-M517 HydrophobicContact CD1-SD 4.43Å; I515-M517 HydrophobicContact CG2-CG 4.02Å; I515-M517 HydrophobicContact CG2-SD 4.28Å; I515-A522 HydrophobicContact CD1-CB 4.12Å; I515-F528 HydrophobicContact CG2-CE1 3.85Å; I515-F528 HydrophobicContact CG2-CZ 4.22Å; I515-V715 HydrophobicContact CG2-CB 4.3Å; I515-V715 PolarHBondContact N-O 2.74Å; I515-V715 PolarHBondContact O-N 2.94Å
516	P	89.6	Confident	91.2	Very high	47 Å²	47	28.4 Å²	28.4	31%	0.305	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.8	165.8	29.5	-32.5	0	0	0	110.8	V712 Y714	P516-V712 HydrophobicContact CB-CG1 3.58Å; P516-Y714 HydrophobicContact CB-CD1 4.17Å; P516-Y714 HydrophobicContact CB-CE1 3.97Å
517	M	91.9	Very high	91.4	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.5	-179.3	-70.3	-67.2	-75.7	0	0	109.9	I515 D519 F528 V712 Y713 V715	I515-M517 HydrophobicContact CD1-SD 4.43Å; I515-M517 HydrophobicContact CG2-CG 4.02Å; I515-M517 HydrophobicContact CG2-SD 4.28Å; M517-D519 HydrophobicContact SD-CB 4.18Å; M517-F528 HydrophobicContact SD-CE1 4.49Å; M517-V712 CarbonylContact O-C 3.56Å; M517-V712 WeakPolarHBondContact O-CA 3.38Å; M517-V712 WeakPolarHBondContact O-CG1 3.37Å; M517-Y713 HydrophobicContact CB-CD1 4.19Å; M517-Y713 HydrophobicContact CB-CD2 3.84Å; M517-Y713 HydrophobicContact CB-CE1 3.77Å; M517-Y713 HydrophobicContact CB-CE2 3.37Å; M517-Y713 HydrophobicContact CB-CG 4.23Å; M517-Y713 HydrophobicContact CG-CE2 4.18Å; M517-Y713 PolarHBondContact N-O 3.26Å; M517-Y713 VanDerWaalsContact O-CD1 3.27Å; M517-Y713 WeakPolarHBondContact O-CD1 3.25Å; M517-Y713 PolarHBondContact O-N 2.82Å; M517-V715 HydrophobicContact CB-CG2 4.43Å; M517-V715 HydrophobicContact CG-CB 4.4Å; M517-V715 HydrophobicContact CG-CG2 3.95Å
518	P	92.4	Very high	91.6	Very high	17 Å²	17	27.5 Å²	27.5	11%	0.11	13%	0.133	C	C	.	.			cis	-76.2	139.1	0.8	33.3	-36.6	0	0	0	112.6	G654 S695 Y713	P518-G654 VanDerWaalsContact CB-C 3.48Å; P518-G654 WeakPolarHBondContact CB-O 3.34Å; P518-G654 VanDerWaalsContact CG-O 3.3Å; P518-G654 WeakPolarHBondContact CG-O 3.37Å; P518-S695 VanDerWaalsContact CG-CB 3.43Å; P518-Y713 HydrophobicContact CB-CE1 4.33Å
519	D	91	Very high	91.9	Very high	38 Å²	38	27.6 Å²	27.6	20%	0.203	13%	0.134	C	C	.	.			trans	-132.5	98.1	169.8	-173.2	12.5	0	0	0	111.2	M517 R521 A522 F523	M517-D519 HydrophobicContact SD-CB 4.18Å; D519-R521 PolarHBondContact O-N 3.38Å; D519-R521 VanDerWaalsContact O-N 3.11Å; D519-R521 WeakPolarHBondContact OD1-CB 3.34Å; D519-R521 PolarHBondContact OD1-N 2.91Å; D519-A522 HydrophobicContact CB-CB 4.39Å; D519-A522 WeakPolarHBondContact O-CB 3.31Å; D519-A522 PolarHBondContact O-N 2.99Å; D519-F523 PolarHBondContact O-N 3.23Å
520	L	93.6	Very high	92.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-15.5	176.3	-68.7	-179.6	0	0	0	113.2	F523 A524 V652 I666 G694 A697	L520-F523 PolarHBondContact O-N 3.1Å; L520-A524 WeakPolarHBondContact O-CB 3.41Å; L520-A524 PolarHBondContact O-N 2.89Å; L520-V652 HydrophobicContact CD1-CB 4.25Å; L520-V652 HydrophobicContact CD1-CG1 4.39Å; L520-V652 VanDerWaalsContact CD1-O 3.26Å; L520-V652 WeakPolarHBondContact CD1-O 3.44Å; L520-V652 HydrophobicContact CD2-CB 4.44Å; L520-V652 HydrophobicContact CD2-CG1 3.7Å; L520-I666 HydrophobicContact CD2-CG2 4.46Å; L520-G694 WeakPolarHBondContact CG-O 3.15Å; L520-G694 PolarHBondContact N-O 2.89Å; L520-A697 HydrophobicContact CD1-CB 3.75Å
521	R	91	Very high	92.7	Very high	73 Å²	73	19 Å²	19	28%	0.275	9%	0.091	S	C	.	.	H	α-helix	trans	-69.1	-36.8	172	-170.8	175.4	-68.2	173.6	1	111.6	D519 F523 N525 F693	D519-R521 PolarHBondContact O-N 3.38Å; D519-R521 VanDerWaalsContact O-N 3.11Å; D519-R521 WeakPolarHBondContact OD1-CB 3.34Å; D519-R521 PolarHBondContact OD1-N 2.91Å; R521-F523 VanDerWaalsContact C-N 3.34Å; R521-N525 VanDerWaalsContact CG-ND2 3.27Å; R521-N525 WeakPolarHBondContact CG-ND2 3.29Å; R521-N525 WeakPolarHBondContact O-CB 3.41Å; R521-N525 PolarHBondContact O-N 2.87Å; R521-N525 PolarHBondContact O-ND2 3.22Å; R521-F693 HydrophobicContact CB-CB 4.4Å
522	A	93.2	Very high	93.1	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-39.3	175.7	0	0	0	0	0	111.1	P388 I515 D519 A526 G527 F528	P388-A522 HydrophobicContact CB-CB 3.84Å; P388-A522 HydrophobicContact CG-CB 3.95Å; I515-A522 HydrophobicContact CD1-CB 4.12Å; D519-A522 HydrophobicContact CB-CB 4.39Å; D519-A522 WeakPolarHBondContact O-CB 3.31Å; D519-A522 PolarHBondContact O-N 2.99Å; A522-A526 WeakPolarHBondContact O-CB 3.13Å; A522-A526 PolarHBondContact O-N 3.36Å; A522-A526 VanDerWaalsContact O-N 3.07Å; A522-G527 PolarHBondContact O-N 2.89Å; A522-F528 HydrophobicContact CB-CB 4.12Å; A522-F528 HydrophobicContact CB-CD1 4.18Å; A522-F528 PolarHBondContact O-N 3.47Å
523	F	95.4	Very high	93.4	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-53.6	171.6	172.4	-107.4	0	0	0	112	D519 L520 R521 N525 G527 F528 F530 T558 F561 V652 I666 L668	D519-F523 PolarHBondContact O-N 3.23Å; L520-F523 PolarHBondContact O-N 3.1Å; R521-F523 VanDerWaalsContact C-N 3.34Å; F523-N525 VanDerWaalsContact C-N 3.33Å; F523-N525 PolarHBondContact O-N 3.38Å; F523-G527 WeakPolarHBondContact O-CA 3.26Å; F523-G527 PolarHBondContact O-N 3.04Å; F523-F528 WeakPolarHBondContact CA-O 3.38Å; F523-F528 WeakPolarHBondContact CB-O 3.1Å; F523-F528 PolarHBondContact N-O 3.19Å; F523-F530 HydrophobicContact CD2-CD2 4.12Å; F523-F530 HydrophobicContact CD2-CE2 4.03Å; F523-F530 HydrophobicContact CE2-CD2 4.05Å; F523-F530 AromaticContact CE2-CE2 3.9Å; F523-F530 HydrophobicContact CE2-CE2 3.9Å; F523-T558 HydrophobicContact CE2-CG2 4.27Å; F523-T558 HydrophobicContact CZ-CG2 4.05Å; F523-F561 WeakPolarHBondContact O-CE1 3.25Å; F523-V652 HydrophobicContact CD1-CG1 4.15Å; F523-V652 HydrophobicContact CE1-CG1 3.98Å; F523-I666 HydrophobicContact CB-CD1 3.63Å; F523-I666 HydrophobicContact CD1-CG2 4.3Å; F523-I666 HydrophobicContact CD2-CD1 3.55Å; F523-I666 HydrophobicContact CD2-CG2 4.26Å; F523-I666 HydrophobicContact CE1-CG2 4.32Å; F523-I666 HydrophobicContact CE2-CD1 4.39Å; F523-I666 HydrophobicContact CE2-CG2 4.27Å; F523-I666 HydrophobicContact CG-CD1 3.68Å; F523-I666 HydrophobicContact CG-CG2 4.27Å; F523-I666 HydrophobicContact CZ-CG2 4.31Å; F523-L668 HydrophobicContact CE1-CD2 4.33Å; F523-L668 HydrophobicContact CZ-CD2 4.23Å
524	A	93.2	Very high	93.6	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-34.7	-174.9	0	0	0	0	0	112.6	L520 F561 R689 M692	L520-A524 WeakPolarHBondContact O-CB 3.41Å; L520-A524 PolarHBondContact O-N 2.89Å; A524-F561 WeakPolarHBondContact O-CZ 3.23Å; A524-R689 HydrophobicContact CB-CB 4.21Å; A524-R689 HydrophobicContact CB-CG 4.5Å; A524-R689 WeakPolarHBondContact O-CD 3.47Å; A524-R689 PolarHBondContact O-NE 3.3Å; A524-M692 HydrophobicContact CB-CB 3.8Å; A524-M692 HydrophobicContact CB-CG 4.44Å; A524-M692 HydrophobicContact CB-SD 3.99Å
525	N	90.1	Very high	93.8	Very high	35 Å²	35	14.1 Å²	14.1	19%	0.187	7%	0.071	C	C	.	.	H	α-helix	trans	-97.5	-28.7	-176.5	-61.6	-40	0	0	0	113.9	G465 R521 F523 Q565	G465-N525 CarbonylContact O-C 3.55Å; G465-N525 VanDerWaalsContact O-C 3.31Å; G465-N525 WeakPolarHBondContact O-CB 3.4Å; R521-N525 VanDerWaalsContact CG-ND2 3.27Å; R521-N525 WeakPolarHBondContact CG-ND2 3.29Å; R521-N525 WeakPolarHBondContact O-CB 3.41Å; R521-N525 PolarHBondContact O-N 2.87Å; R521-N525 PolarHBondContact O-ND2 3.22Å; F523-N525 VanDerWaalsContact C-N 3.33Å; F523-N525 PolarHBondContact O-N 3.38Å; N525-Q565 VanDerWaalsContact O-CD 3.23Å; N525-Q565 PolarHBondContact O-OE1 3.28Å; N525-Q565 VanDerWaalsContact O-OE1 3.1Å
526	A	92.7	Very high	94.2	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-126.5	-0.1	-173.8	0	0	0	0	0	114.4	W351 P388 A522 F528 S531	W351-A526 HydrophobicContact CZ2-CB 4.41Å; P388-A526 HydrophobicContact CG-CB 4.11Å; A522-A526 WeakPolarHBondContact O-CB 3.13Å; A522-A526 PolarHBondContact O-N 3.36Å; A522-A526 VanDerWaalsContact O-N 3.07Å; A526-F528 PolarHBondContact O-N 2.89Å; A526-S531 WeakPolarHBondContact O-CB 3.49Å; A526-S531 PolarHBondContact O-OG 3.43Å
527	G	94.6	Very high	94.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.			trans	66.6	15.8	-174.1	0	0	0	0	0	114	A522 F523 F530 S531	A522-G527 PolarHBondContact O-N 2.89Å; F523-G527 WeakPolarHBondContact O-CA 3.26Å; F523-G527 PolarHBondContact O-N 3.04Å; G527-F530 WeakPolarHBondContact O-CB 3.29Å; G527-F530 PolarHBondContact O-N 3.4Å; G527-F530 VanDerWaalsContact O-N 3.1Å; G527-S531 VanDerWaalsContact C-OG 3.22Å; G527-S531 PolarHBondContact O-N 2.88Å; G527-S531 PolarHBondContact O-OG 2.96Å
528	F	95.9	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	142.5	-176.3	-172.1	-87.5	0	0	0	110.7	P388 D389 I515 M517 A522 F523 A526 S531 R532	P388-F528 HydrophobicContact CG-CB 3.44Å; P388-F528 VanDerWaalsContact CG-CB 3.44Å; P388-F528 HydrophobicContact CG-CD1 4.06Å; P388-F528 HydrophobicContact CG-CD2 3.69Å; P388-F528 HydrophobicContact CG-CE2 4.46Å; P388-F528 HydrophobicContact CG-CG 3.44Å; P388-F528 VanDerWaalsContact CG-CG 3.44Å; D389-F528 HydrophobicContact CB-CE2 4.23Å; D389-F528 HydrophobicContact CB-CZ 3.96Å; I515-F528 HydrophobicContact CG2-CE1 3.85Å; I515-F528 HydrophobicContact CG2-CZ 4.22Å; M517-F528 HydrophobicContact SD-CE1 4.49Å; A522-F528 HydrophobicContact CB-CB 4.12Å; A522-F528 HydrophobicContact CB-CD1 4.18Å; A522-F528 PolarHBondContact O-N 3.47Å; F523-F528 WeakPolarHBondContact CA-O 3.38Å; F523-F528 WeakPolarHBondContact CB-O 3.1Å; F523-F528 PolarHBondContact N-O 3.19Å; A526-F528 PolarHBondContact O-N 2.89Å; F528-S531 WeakPolarHBondContact CA-OG 3.36Å; F528-S531 PolarHBondContact N-OG 3.04Å; F528-R532 HydrophobicContact CE2-CB 4.27Å; F528-R532 HydrophobicContact CE2-CG 4.46Å
529	P	96.4	Very high	94.9	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.013	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.5	-6.3	8.4	35	-37.4	0	0	0	115.4	S531 R532 D588	P529-S531 PolarHBondContact O-N 3.48Å; P529-R532 WeakPolarHBondContact O-CB 3.32Å; P529-R532 PolarHBondContact O-N 2.71Å; P529-D588 HydrophobicContact CG-CB 3.98Å; P529-D588 WeakPolarHBondContact CG-OD1 3.36Å
530	F	97.7	Very high	95.3	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-63	-31.3	-176.1	-50.2	-56.8	0	0	0	113.1	F523 G527 R532 L536 T539 I562 D588 M590 I666	F523-F530 HydrophobicContact CD2-CD2 4.12Å; F523-F530 HydrophobicContact CD2-CE2 4.03Å; F523-F530 HydrophobicContact CE2-CD2 4.05Å; F523-F530 AromaticContact CE2-CE2 3.9Å; F523-F530 HydrophobicContact CE2-CE2 3.9Å; G527-F530 WeakPolarHBondContact O-CB 3.29Å; G527-F530 PolarHBondContact O-N 3.4Å; G527-F530 VanDerWaalsContact O-N 3.1Å; F530-R532 VanDerWaalsContact C-N 3.27Å; F530-R532 PolarHBondContact O-N 3Å; F530-L536 HydrophobicContact CB-CD2 4.48Å; F530-L536 HydrophobicContact CB-CG 4.48Å; F530-T539 HydrophobicContact CB-CG2 4.23Å; F530-T539 HydrophobicContact CD1-CG2 3.31Å; F530-T539 HydrophobicContact CE1-CG2 3.86Å; F530-T539 HydrophobicContact CG-CG2 3.97Å; F530-I562 HydrophobicContact CB-CD1 3.96Å; F530-I562 HydrophobicContact CD2-CD1 4.09Å; F530-I562 HydrophobicContact CG-CD1 4.4Å; F530-D588 HydrophobicContact CD1-CB 3.78Å; F530-D588 HydrophobicContact CE1-CB 3.74Å; F530-M590 HydrophobicContact CD2-SD 4.39Å; F530-M590 HydrophobicContact CE1-CB 3.92Å; F530-M590 HydrophobicContact CE2-CB 4.07Å; F530-M590 HydrophobicContact CE2-CG 4.2Å; F530-M590 HydrophobicContact CE2-SD 4.1Å; F530-M590 HydrophobicContact CZ-CB 3.57Å; F530-M590 HydrophobicContact CZ-CG 4.14Å; F530-I666 HydrophobicContact CE2-CB 3.86Å; F530-I666 HydrophobicContact CE2-CD1 3.78Å; F530-I666 HydrophobicContact CE2-CG1 4.06Å; F530-I666 HydrophobicContact CZ-CB 3.81Å; F530-I666 HydrophobicContact CZ-CD1 4.19Å; F530-I666 HydrophobicContact CZ-CG1 4.02Å
531	S	96.3	Very high	95.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-74.1	-8.4	176.7	56.3	0	0	0	0	115	W351 A526 G527 F528 P529 M533	W351-S531 WeakPolarHBondContact CH2-O 3.23Å; W351-S531 WeakPolarHBondContact CH2-OG 3.36Å; W351-S531 WeakPolarHBondContact CZ2-OG 3.31Å; A526-S531 WeakPolarHBondContact O-CB 3.49Å; A526-S531 PolarHBondContact O-OG 3.43Å; G527-S531 VanDerWaalsContact C-OG 3.22Å; G527-S531 PolarHBondContact O-N 2.88Å; G527-S531 PolarHBondContact O-OG 2.96Å; F528-S531 WeakPolarHBondContact CA-OG 3.36Å; F528-S531 PolarHBondContact N-OG 3.04Å; P529-S531 PolarHBondContact O-N 3.48Å; S531-M533 PolarHBondContact O-N 2.95Å
532	R	96.1	Very high	95.8	Very high	40 Å²	40	11.2 Å²	11.2	15%	0.151	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-56	-40.7	178.7	-169.1	-167.4	83	81.6	8.6	111.9	P345 Y346 F528 P529 F530 Q538	P345-R532 WeakPolarHBondContact CA-O 3.22Å; Y346-R532 HydrophobicContact CE1-CG 3.99Å; Y346-R532 HydrophobicContact CE2-CG 4.49Å; Y346-R532 PolarHBondContact N-O 3.1Å; F528-R532 HydrophobicContact CE2-CB 4.27Å; F528-R532 HydrophobicContact CE2-CG 4.46Å; P529-R532 WeakPolarHBondContact O-CB 3.32Å; P529-R532 PolarHBondContact O-N 2.71Å; F530-R532 VanDerWaalsContact C-N 3.27Å; F530-R532 PolarHBondContact O-N 3Å; R532-Q538 VanDerWaalsContact NH2-CD 3.3Å
533	M	96.8	Very high	96	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.059	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-102.2	116.5	167.2	-58.9	-60.1	-65.6	0	0	107.3	R343 P345 S531 D535 L536 S537 Q538	R343-M533 HydrophobicContact CB-CE 4.14Å; R343-M533 VanDerWaalsContact O-CE 3.28Å; R343-M533 WeakPolarHBondContact O-CE 3.48Å; P345-M533 HydrophobicContact CB-SD 4.32Å; P345-M533 HydrophobicContact CG-SD 3.88Å; S531-M533 PolarHBondContact O-N 2.95Å; M533-D535 PolarHBondContact O-N 3.46Å; M533-L536 PolarHBondContact O-N 2.98Å; M533-S537 WeakPolarHBondContact CE-OG 3.36Å; M533-Q538 HydrophobicContact CG-CB 4.16Å; M533-Q538 HydrophobicContact CG-CG 4.03Å
534	A	96	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	-173	0	0	0	0	0	114.3	A348 F568	A348-A534 HydrophobicContact CB-CB 3.91Å; A534-F568 HydrophobicContact CB-CB 4.14Å
535	D	96.4	Very high	95.9	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4.7	176	68	-12.6	0	0	0	114.1	R343 M533 S537 F568 A570 I571 N572	R343-D535 HydrophobicContact CG-CB 3.89Å; R343-D535 VanDerWaalsContact CG-CG 3.5Å; R343-D535 WeakPolarHBondContact CG-OD2 3.44Å; M533-D535 PolarHBondContact O-N 3.46Å; D535-S537 PolarHBondContact O-N 2.91Å; D535-S537 WeakPolarHBondContact OD1-CB 3.28Å; D535-S537 PolarHBondContact OD1-N 3.43Å; D535-S537 PolarHBondContact OD1-OG 2.77Å; D535-F568 HydrophobicContact CB-CD1 4.13Å; D535-F568 HydrophobicContact CB-CE1 3.88Å; D535-A570 CarbonylContact O-C 3.34Å; D535-I571 PolarHBondContact O-N 3.07Å; D535-N572 PolarHBondContact O-N 3.01Å; D535-N572 PolarHBondContact OD2-ND2 2.73Å
536	L	97.5	Very high	96.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.124	C	C	.	.			trans	58.1	26.9	-177.1	-76.7	65.8	0	0	0	113.5	F530 M533 Q538 T539 I562 A570 L573	F530-L536 HydrophobicContact CB-CD2 4.48Å; F530-L536 HydrophobicContact CB-CG 4.48Å; M533-L536 PolarHBondContact O-N 2.98Å; L536-Q538 PolarHBondContact O-N 3.01Å; L536-T539 WeakPolarHBondContact O-CB 3.31Å; L536-T539 PolarHBondContact O-N 2.81Å; L536-I562 HydrophobicContact CD1-CG2 3.78Å; L536-I562 HydrophobicContact CD2-CD1 4.16Å; L536-I562 HydrophobicContact CD2-CG2 4.27Å; L536-I562 HydrophobicContact CG-CG2 4.43Å; L536-A570 HydrophobicContact CB-CB 4.13Å; L536-A570 HydrophobicContact CD1-CB 4.03Å; L536-A570 HydrophobicContact CD2-CB 3.78Å; L536-A570 HydrophobicContact CG-CB 4.19Å; L536-L573 HydrophobicContact CB-CB 4.14Å; L536-L573 HydrophobicContact CB-CD1 4.31Å; L536-L573 HydrophobicContact CD2-CD1 4.22Å
537	S	96	Very high	96.2	Very high	46 Å²	46	22.3 Å²	22.3	32%	0.322	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.2	-179.9	47.7	0	0	0	0	115.6	M533 D535	M533-S537 WeakPolarHBondContact CE-OG 3.36Å; D535-S537 PolarHBondContact O-N 2.91Å; D535-S537 WeakPolarHBondContact OD1-CB 3.28Å; D535-S537 PolarHBondContact OD1-N 3.43Å; D535-S537 PolarHBondContact OD1-OG 2.77Å
538	Q	96	Very high	96.2	Very high	55 Å²	55	24.7 Å²	24.7	26%	0.257	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	27.9	175.2	-65.2	-171.3	-10.4	0	0	112.5	R532 M533 L536 A587 D588 R663	R532-Q538 VanDerWaalsContact NH2-CD 3.3Å; M533-Q538 HydrophobicContact CG-CB 4.16Å; M533-Q538 HydrophobicContact CG-CG 4.03Å; L536-Q538 PolarHBondContact O-N 3.01Å; Q538-A587 CarbonylContact O-C 3.56Å; Q538-A587 WeakPolarHBondContact O-CA 3.43Å; Q538-A587 WeakPolarHBondContact O-CB 3.47Å; Q538-D588 PolarHBondContact O-N 3.32Å; Q538-R663 VanDerWaalsContact OE1-CZ 3.25Å
539	T	98.1	Very high	96.3	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.4	178.6	-55.7	0	0	0	0	110	F530 L536 L573 T574 D588	F530-T539 HydrophobicContact CB-CG2 4.23Å; F530-T539 HydrophobicContact CD1-CG2 3.31Å; F530-T539 HydrophobicContact CE1-CG2 3.86Å; F530-T539 HydrophobicContact CG-CG2 3.97Å; L536-T539 WeakPolarHBondContact O-CB 3.31Å; L536-T539 PolarHBondContact O-N 2.81Å; T539-L573 HydrophobicContact CG2-CD1 3.59Å; T539-T574 PolarHBondContact O-N 3.39Å; T539-D588 WeakPolarHBondContact CA-O 3.48Å
540	I	97.9	Very high	96.2	Very high	16 Å²	16	28.9 Å²	28.9	8%	0.082	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.8	170.1	-56.1	171.5	0	0	0	108.4	T574 T576 I582 K585 A587 D588 I589 M590	I540-T574 CarbonylContact C-O 3.51Å; I540-T574 WeakPolarHBondContact CA-O 3.48Å; I540-T574 HydrophobicContact CG2-CG2 4.44Å; I540-T576 HydrophobicContact CG2-CG2 3.8Å; I540-I582 HydrophobicContact CD1-CG2 4.49Å; I540-I582 HydrophobicContact CG2-CG2 3.88Å; I540-K585 HydrophobicContact CD1-CB 3.99Å; I540-K585 HydrophobicContact CD1-CG 3.99Å; I540-A587 HydrophobicContact CD1-CB 3.79Å; I540-A587 HydrophobicContact CG1-CB 3.85Å; I540-D588 PolarHBondContact N-O 2.84Å; I540-I589 CarbonylContact O-C 3.54Å; I540-I589 WeakPolarHBondContact O-CA 3.5Å; I540-M590 PolarHBondContact O-N 3.19Å
541	T	97.9	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126	171.2	-52.6	0	0	0	0	111	M543 L555 T574 V575 T576 M590 I592	T541-M543 HydrophobicContact CG2-CG 4.16Å; T541-M543 HydrophobicContact CG2-SD 4.27Å; T541-L555 HydrophobicContact CG2-CD1 3.91Å; T541-T574 PolarHBondContact N-O 3.3Å; T541-V575 CarbonylContact O-C 3.55Å; T541-V575 WeakPolarHBondContact O-CA 3.13Å; T541-T576 PolarHBondContact O-N 2.84Å; T541-M590 CarbonylContact C-O 3.59Å; T541-M590 VanDerWaalsContact CA-O 3.22Å; T541-M590 WeakPolarHBondContact CA-O 3.36Å; T541-M590 HydrophobicContact CG2-CB 4.24Å; T541-M590 HydrophobicContact CG2-CE 3.87Å; T541-M590 HydrophobicContact CG2-CG 4.32Å; T541-M590 WeakPolarHBondContact OG1-CE 3.28Å; T541-I592 HydrophobicContact CG2-CD1 4.2Å
542	V	97.2	Very high	96.2	Very high	8 Å²	8	30 Å²	30	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.6	172.8	-172.1	0	0	0	0	109	T576 I582 I589 M590 I591 I592 P596	V542-T576 CarbonylContact C-O 3.55Å; V542-T576 VanDerWaalsContact CA-O 3.31Å; V542-T576 WeakPolarHBondContact CA-O 3.4Å; V542-T576 HydrophobicContact CG2-CG2 4.02Å; V542-I582 HydrophobicContact CG2-CD1 4.34Å; V542-I582 HydrophobicContact CG2-CG2 3.84Å; V542-I589 HydrophobicContact CG2-CG2 3.99Å; V542-M590 PolarHBondContact N-O 3.02Å; V542-I591 HydrophobicContact CB-CG1 4.26Å; V542-I591 HydrophobicContact CG2-CG1 4.4Å; V542-I592 PolarHBondContact O-N 2.89Å; V542-P596 HydrophobicContact CG1-CG 4.25Å
543	M	97.2	Very high	96.3	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.025	16%	0.162	C	C	.	.			trans	-110.9	158.2	178.6	-71	-68	-71	0	0	110.2	Q232 T541 P547 M552 L555 V575 T576 D577 I592	Q232-M543 VanDerWaalsContact OE1-CG 3.24Å; T541-M543 HydrophobicContact CG2-CG 4.16Å; T541-M543 HydrophobicContact CG2-SD 4.27Å; M543-P547 HydrophobicContact CE-CB 3.95Å; M543-P547 HydrophobicContact CE-CG 4.41Å; M543-M552 HydrophobicContact CE-SD 4.37Å; M543-L555 HydrophobicContact CE-CB 3.98Å; M543-L555 HydrophobicContact CE-CD2 3.95Å; M543-L555 HydrophobicContact CG-CD2 4.24Å; M543-L555 HydrophobicContact SD-CB 3.99Å; M543-L555 HydrophobicContact SD-CD1 4.46Å; M543-L555 HydrophobicContact SD-CD2 4.01Å; M543-L555 HydrophobicContact SD-CG 4.39Å; M543-V575 HydrophobicContact CB-CG1 4.41Å; M543-V575 HydrophobicContact CG-CG1 3.88Å; M543-T576 PolarHBondContact N-O 2.87Å; M543-D577 VanDerWaalsContact O-CA 3.32Å; M543-D577 WeakPolarHBondContact O-CA 3.32Å; M543-I592 HydrophobicContact SD-CB 3.68Å; M543-I592 HydrophobicContact SD-CD1 3.76Å; M543-I592 HydrophobicContact SD-CG1 4.23Å; M543-I592 HydrophobicContact SD-CG2 4.08Å
544	P	94.2	Very high	96.3	Very high	35 Å²	35	29 Å²	29	23%	0.227	16%	0.159	C	C	.	.			trans	-67.3	154.2	166.3	30.9	-36.1	0	0	0	110.5	A546 P547 I592	P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.99Å; P544-P547 HydrophobicContact CG-CB 3.86Å; P544-P547 WeakPolarHBondContact O-CD 3.44Å; P544-I592 WeakPolarHBondContact CD-O 3.35Å
545	K	92.6	Very high	96.4	Very high	161 Å²	161	29 Å²	29	70%	0.7	16%	0.159	S	C	*	.	S	Bend	trans	-58.9	-36.1	179.6	-63.6	-167.9	171.8	-176	0	114	D577	K545-D577 HydrophobicContact CG-CB 4.08Å
546	A	94	Very high	96.5	Very high	76 Å²	76	28.7 Å²	28.7	63%	0.628	16%	0.157	S	C	*	.	S	Bend	trans	-128.2	82.8	176.7	0	0	0	0	0	108.1	P544	P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.99Å
547	P	95.8	Very high	96.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.157	C	C	.	.			trans	-66.9	136.5	-179.9	27.4	-32	0	0	0	110.3	P227 Y257 M543 P544 Q551	P227-P547 HydrophobicContact CG-CG 4.4Å; Y257-P547 PolarHBondContact OH-O 3.47Å; M543-P547 HydrophobicContact CE-CB 3.95Å; M543-P547 HydrophobicContact CE-CG 4.41Å; P544-P547 HydrophobicContact CG-CB 3.86Å; P544-P547 WeakPolarHBondContact O-CD 3.44Å; P547-Q551 HydrophobicContact CB-CB 4.15Å
548	N	95.1	Very high	96.5	Very high	49 Å²	49	26.4 Å²	26.4	26%	0.262	14%	0.142	S	C	.	.			trans	-73.2	172.3	164.6	66.3	39	0	0	0	110.7	Y257 A550 Q551 M552	Y257-N548 PolarHBondContact OH-O 2.96Å; N548-A550 VanDerWaalsContact C-N 3.31Å; N548-A550 PolarHBondContact O-N 3.24Å; N548-A550 PolarHBondContact OD1-N 2.82Å; N548-A550 VanDerWaalsContact OD1-N 3.17Å; N548-Q551 VanDerWaalsContact N-OE1 3.09Å; N548-Q551 PolarHBondContact ND2-OE1 3.11Å; N548-Q551 PolarHBondContact O-N 2.68Å; N548-Q551 WeakPolarHBondContact OD1-CB 3.4Å; N548-Q551 WeakPolarHBondContact OD1-CG 3.46Å; N548-Q551 PolarHBondContact OD1-N 3.48Å; N548-M552 PolarHBondContact O-N 3.4Å
549	E	96.5	Very high	96.6	Very high	79 Å²	79	23.8 Å²	23.8	37%	0.369	13%	0.13	S	C	.	.	H	α-helix	trans	-56.3	-45.2	-177.9	-63.4	86.8	163.1	0	0	111.5	V255 Y257 Q551 M552 E553	V255-E549 HydrophobicContact CB-CB 4.25Å; V255-E549 HydrophobicContact CG1-CB 4.29Å; V255-E549 HydrophobicContact CG1-CG 4.39Å; Y257-E549 HydrophobicContact CD1-CG 4.45Å; Y257-E549 VanDerWaalsContact CD2-CD 3.49Å; Y257-E549 HydrophobicContact CD2-CG 3.75Å; Y257-E549 VanDerWaalsContact CD2-OE1 3.3Å; Y257-E549 WeakPolarHBondContact CD2-OE1 3.22Å; Y257-E549 HydrophobicContact CE2-CG 3.87Å; Y257-E549 HydrophobicContact CG-CG 4.06Å; E549-Q551 PolarHBondContact O-N 3.49Å; E549-M552 PolarHBondContact O-N 3.26Å; E549-E553 WeakPolarHBondContact O-CB 3.38Å; E549-E553 PolarHBondContact O-N 2.88Å
550	A	95.5	Very high	96.5	Very high	11 Å²	11	23.6 Å²	23.6	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-34.7	-176.5	0	0	0	0	0	113.2	N548 T554 Y676	N548-A550 VanDerWaalsContact C-N 3.31Å; N548-A550 PolarHBondContact O-N 3.24Å; N548-A550 PolarHBondContact OD1-N 2.82Å; N548-A550 VanDerWaalsContact OD1-N 3.17Å; A550-T554 PolarHBondContact O-N 2.76Å; A550-T554 PolarHBondContact O-OG1 3.35Å; A550-Y676 HydrophobicContact CB-CD2 4.36Å; A550-Y676 HydrophobicContact CB-CG 4.19Å
551	Q	96.1	Very high	96.4	Very high	24 Å²	24	23 Å²	23	11%	0.112	13%	0.125	C	C	.	.	H	α-helix	trans	-68.1	-42.5	173.3	-74.6	171.6	-39	0	0	111.6	P547 N548 E549 E553 T554 L555 I592 Y676	P547-Q551 HydrophobicContact CB-CB 4.15Å; N548-Q551 VanDerWaalsContact N-OE1 3.09Å; N548-Q551 PolarHBondContact ND2-OE1 3.11Å; N548-Q551 PolarHBondContact O-N 2.68Å; N548-Q551 WeakPolarHBondContact OD1-CB 3.4Å; N548-Q551 WeakPolarHBondContact OD1-CG 3.46Å; N548-Q551 PolarHBondContact OD1-N 3.48Å; E549-Q551 PolarHBondContact O-N 3.49Å; Q551-E553 VanDerWaalsContact C-N 3.34Å; Q551-T554 WeakPolarHBondContact O-CB 3.33Å; Q551-T554 PolarHBondContact O-N 2.69Å; Q551-L555 PolarHBondContact O-N 2.99Å; Q551-L555 VanDerWaalsContact O-N 3.1Å; Q551-I592 HydrophobicContact CB-CG2 4.32Å; Q551-Y676 HydrophobicContact CG-CD1 4.41Å; Q551-Y676 HydrophobicContact CG-CD2 4.12Å; Q551-Y676 HydrophobicContact CG-CE1 3.91Å; Q551-Y676 HydrophobicContact CG-CE2 3.6Å; Q551-Y676 VanDerWaalsContact CG-CZ 3.49Å; Q551-Y676 PolarHBondContact NE2-OH 2.79Å
552	M	97.6	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-41.4	175.5	-170.5	65.8	-146.3	0	0	110.8	F223 P227 Q232 S235 V255 M543 N548 E549 T554 L555 L556	F223-M552 HydrophobicContact CE2-CG 4.17Å; F223-M552 HydrophobicContact CZ-CE 4.22Å; P227-M552 HydrophobicContact CG-CG 4.28Å; P227-M552 HydrophobicContact CG-SD 3.72Å; Q232-M552 HydrophobicContact CB-CE 4.39Å; Q232-M552 HydrophobicContact CB-SD 4.49Å; Q232-M552 HydrophobicContact CG-CE 4.42Å; Q232-M552 HydrophobicContact CG-SD 3.93Å; S235-M552 WeakPolarHBondContact OG-CE 3.2Å; V255-M552 HydrophobicContact CB-CB 4.34Å; V255-M552 HydrophobicContact CG1-CB 4.04Å; V255-M552 HydrophobicContact CG1-CG 4.06Å; V255-M552 HydrophobicContact CG2-CB 3.9Å; V255-M552 HydrophobicContact CG2-CG 3.79Å; M543-M552 HydrophobicContact CE-SD 4.37Å; N548-M552 PolarHBondContact O-N 3.4Å; E549-M552 PolarHBondContact O-N 3.26Å; M552-T554 VanDerWaalsContact C-N 3.3Å; M552-T554 PolarHBondContact O-N 2.89Å; M552-L555 HydrophobicContact CE-CD2 3.7Å; M552-L555 HydrophobicContact CE-CG 4.41Å; M552-L555 WeakPolarHBondContact O-CB 3.33Å; M552-L555 PolarHBondContact O-N 3.22Å; M552-L555 VanDerWaalsContact O-N 3.15Å; M552-L555 HydrophobicContact SD-CD2 4.09Å; M552-L556 HydrophobicContact CE-CD1 4.17Å; M552-L556 HydrophobicContact CE-CD2 3.58Å; M552-L556 HydrophobicContact CE-CG 3.79Å; M552-L556 HydrophobicContact CG-CD1 4.42Å; M552-L556 WeakPolarHBondContact O-CG 3.2Å; M552-L556 PolarHBondContact O-N 3.09Å
553	E	97.5	Very high	96.2	Very high	31 Å²	31	22.7 Å²	22.7	15%	0.145	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-40.2	173.3	-175.4	-178.6	138.3	0	0	111.6	N252 V255 E549 Q551 L555 L556 N557 N680	N252-E553 PolarHBondContact OD1-OE1 2.77Å; V255-E553 HydrophobicContact CG2-CB 4.05Å; E549-E553 WeakPolarHBondContact O-CB 3.38Å; E549-E553 PolarHBondContact O-N 2.88Å; Q551-E553 VanDerWaalsContact C-N 3.34Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 3.05Å; E553-L556 PolarHBondContact O-N 3Å; E553-N557 WeakPolarHBondContact CG-ND2 3.36Å; E553-N557 VanDerWaalsContact O-CB 3.27Å; E553-N557 WeakPolarHBondContact O-CB 3.16Å; E553-N557 PolarHBondContact O-N 3.36Å; E553-N680 VanDerWaalsContact CD-ND2 3.3Å; E553-N680 VanDerWaalsContact CG-ND2 3.33Å; E553-N680 WeakPolarHBondContact CG-ND2 3.47Å; E553-N680 PolarHBondContact OE1-ND2 2.8Å
554	T	97.5	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-43.1	174.6	-54.6	0	0	0	0	111.6	A550 Q551 M552 T558 I592 L668 Y676 L679 N680	A550-T554 PolarHBondContact O-N 2.76Å; A550-T554 PolarHBondContact O-OG1 3.35Å; Q551-T554 WeakPolarHBondContact O-CB 3.33Å; Q551-T554 PolarHBondContact O-N 2.69Å; M552-T554 VanDerWaalsContact C-N 3.3Å; M552-T554 PolarHBondContact O-N 2.89Å; T554-T558 WeakPolarHBondContact O-CB 3.18Å; T554-T558 PolarHBondContact O-N 2.98Å; T554-T558 PolarHBondContact O-OG1 2.94Å; T554-I592 HydrophobicContact CG2-CD1 4.23Å; T554-I592 HydrophobicContact CG2-CG1 4.25Å; T554-I592 HydrophobicContact CG2-CG2 4.06Å; T554-L668 HydrophobicContact CG2-CB 4.23Å; T554-L668 HydrophobicContact CG2-CD1 4.34Å; T554-Y676 VanDerWaalsContact OG1-CD1 3.25Å; T554-Y676 WeakPolarHBondContact OG1-CD1 3.3Å; T554-L679 HydrophobicContact CG2-CD2 3.9Å; T554-N680 WeakPolarHBondContact CA-OD1 3.15Å; T554-N680 PolarHBondContact OG1-OD1 2.82Å; T554-N680 VanDerWaalsContact OG1-OD1 3.07Å
555	L	98.1	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-53.5	175.3	171.5	62.7	0	0	0	110.7	Q232 T541 M543 Q551 M552 E553 T558 V559 M590 I592	Q232-L555 HydrophobicContact CB-CD2 4.22Å; T541-L555 HydrophobicContact CG2-CD1 3.91Å; M543-L555 HydrophobicContact CE-CB 3.98Å; M543-L555 HydrophobicContact CE-CD2 3.95Å; M543-L555 HydrophobicContact CG-CD2 4.24Å; M543-L555 HydrophobicContact SD-CB 3.99Å; M543-L555 HydrophobicContact SD-CD1 4.46Å; M543-L555 HydrophobicContact SD-CD2 4.01Å; M543-L555 HydrophobicContact SD-CG 4.39Å; Q551-L555 PolarHBondContact O-N 2.99Å; Q551-L555 VanDerWaalsContact O-N 3.1Å; M552-L555 HydrophobicContact CE-CD2 3.7Å; M552-L555 HydrophobicContact CE-CG 4.41Å; M552-L555 WeakPolarHBondContact O-CB 3.33Å; M552-L555 PolarHBondContact O-N 3.22Å; M552-L555 VanDerWaalsContact O-N 3.15Å; M552-L555 HydrophobicContact SD-CD2 4.09Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 3.05Å; L555-T558 PolarHBondContact O-N 3.1Å; L555-V559 HydrophobicContact CD1-CG1 3.96Å; L555-V559 WeakPolarHBondContact O-CG1 3.46Å; L555-V559 VanDerWaalsContact O-CG2 3.29Å; L555-V559 WeakPolarHBondContact O-CG2 3.29Å; L555-V559 PolarHBondContact O-N 3.07Å; L555-M590 HydrophobicContact CD1-CE 4.38Å; L555-I592 HydrophobicContact CB-CD1 3.64Å; L555-I592 HydrophobicContact CD1-CD1 4.05Å; L555-I592 HydrophobicContact CG-CD1 4.47Å
556	L	98.1	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-43.4	-175.3	-61.2	175.4	0	0	0	112.1	M221 A239 F253 V255 M552 E553 V559 G560	M221-L556 HydrophobicContact CB-CD1 3.99Å; M221-L556 HydrophobicContact CG-CD1 4.06Å; M221-L556 HydrophobicContact SD-CD1 3.63Å; M221-L556 HydrophobicContact SD-CD2 4.04Å; M221-L556 HydrophobicContact SD-CG 4.38Å; A239-L556 HydrophobicContact CB-CB 3.87Å; A239-L556 HydrophobicContact CB-CD2 3.72Å; A239-L556 HydrophobicContact CB-CG 4.35Å; F253-L556 HydrophobicContact CB-CB 3.79Å; F253-L556 HydrophobicContact CB-CD1 4.16Å; F253-L556 HydrophobicContact CD2-CB 4.09Å; F253-L556 WeakPolarHBondContact CD2-O 3.36Å; F253-L556 HydrophobicContact CG-CB 4.29Å; V255-L556 HydrophobicContact CG2-CD1 3.6Å; M552-L556 HydrophobicContact CE-CD1 4.17Å; M552-L556 HydrophobicContact CE-CD2 3.58Å; M552-L556 HydrophobicContact CE-CG 3.79Å; M552-L556 HydrophobicContact CG-CD1 4.42Å; M552-L556 WeakPolarHBondContact O-CG 3.2Å; M552-L556 PolarHBondContact O-N 3.09Å; E553-L556 PolarHBondContact O-N 3Å; L556-V559 WeakPolarHBondContact O-CG2 3.48Å; L556-G560 WeakPolarHBondContact O-CA 3.4Å; L556-G560 PolarHBondContact O-N 3.26Å
557	N	96.9	Very high	96.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.7	-40	177.7	-77.6	-17.5	0	0	0	111.8	N252 F253 E553 G560 F561 N684	N252-N557 WeakPolarHBondContact CA-OD1 3.48Å; N252-N557 PolarHBondContact OD1-ND2 3.15Å; F253-N557 WeakPolarHBondContact CD2-OD1 2.91Å; F253-N557 PolarHBondContact N-OD1 2.95Å; E553-N557 WeakPolarHBondContact CG-ND2 3.36Å; E553-N557 VanDerWaalsContact O-CB 3.27Å; E553-N557 WeakPolarHBondContact O-CB 3.16Å; E553-N557 PolarHBondContact O-N 3.36Å; N557-G560 PolarHBondContact O-N 3.28Å; N557-F561 VanDerWaalsContact O-CB 3.28Å; N557-F561 WeakPolarHBondContact O-CB 3.38Å; N557-F561 PolarHBondContact O-N 2.84Å; N557-N684 PolarHBondContact ND2-ND2 3.17Å
558	T	97	Very high	96.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.8	-48	179.2	-57.1	0	0	0	0	111.7	F523 T554 L555 G560 F561 I562 M590 L668	F523-T558 HydrophobicContact CE2-CG2 4.27Å; F523-T558 HydrophobicContact CZ-CG2 4.05Å; T554-T558 WeakPolarHBondContact O-CB 3.18Å; T554-T558 PolarHBondContact O-N 2.98Å; T554-T558 PolarHBondContact O-OG1 2.94Å; L555-T558 PolarHBondContact O-N 3.1Å; T558-G560 VanDerWaalsContact C-N 3.3Å; T558-G560 PolarHBondContact O-N 3.37Å; T558-F561 WeakPolarHBondContact O-CB 3.47Å; T558-F561 PolarHBondContact O-N 3.08Å; T558-I562 HydrophobicContact CG2-CD1 4.13Å; T558-I562 WeakPolarHBondContact O-CG1 3.48Å; T558-I562 PolarHBondContact O-N 3.1Å; T558-M590 HydrophobicContact CG2-CE 4.29Å; T558-M590 HydrophobicContact CG2-SD 3.49Å; T558-M590 WeakPolarHBondContact CG2-SD 3.12Å; T558-L668 HydrophobicContact CG2-CD1 4.07Å
559	V	97.5	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.8	-31.1	177	-57.6	0	0	0	0	111.8	A236 A239 S240 L555 L556 G563 L573 M590	A236-V559 HydrophobicContact CB-CG2 3.98Å; A236-V559 WeakPolarHBondContact O-CG2 3.49Å; A239-V559 HydrophobicContact CB-CG2 4.11Å; S240-V559 VanDerWaalsContact CB-O 3.32Å; S240-V559 WeakPolarHBondContact CB-O 3.17Å; L555-V559 HydrophobicContact CD1-CG1 3.96Å; L555-V559 WeakPolarHBondContact O-CG1 3.46Å; L555-V559 VanDerWaalsContact O-CG2 3.29Å; L555-V559 WeakPolarHBondContact O-CG2 3.29Å; L555-V559 PolarHBondContact O-N 3.07Å; L556-V559 WeakPolarHBondContact O-CG2 3.48Å; V559-G563 PolarHBondContact O-N 3.37Å; V559-L573 HydrophobicContact CG1-CD2 3.7Å; V559-M590 HydrophobicContact CG1-CE 4.02Å
560	G	96.4	Very high	96.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.9	-49.9	167.9	0	0	0	0	0	112.2	G243 L556 N557 T558 G563 A564	G243-G560 VanDerWaalsContact CA-O 3.31Å; G243-G560 WeakPolarHBondContact CA-O 3.33Å; L556-G560 WeakPolarHBondContact O-CA 3.4Å; L556-G560 PolarHBondContact O-N 3.26Å; N557-G560 PolarHBondContact O-N 3.28Å; T558-G560 VanDerWaalsContact C-N 3.3Å; T558-G560 PolarHBondContact O-N 3.37Å; G560-G563 PolarHBondContact O-N 2.82Å; G560-A564 PolarHBondContact O-N 2.84Å
561	F	95.1	Very high	96.2	Very high	4 Å²	4	9 Å²	9	2%	0.018	5%	0.049	C	C	.	.	H	α-helix	trans	-62.6	-46.6	178.4	166.1	-100.8	0	0	0	111.7	Q251 F523 A524 N557 T558 G563 A564 Q565 V683	Q251-F561 VanDerWaalsContact NE2-N 3.12Å; F523-F561 WeakPolarHBondContact O-CE1 3.25Å; A524-F561 WeakPolarHBondContact O-CZ 3.23Å; N557-F561 VanDerWaalsContact O-CB 3.28Å; N557-F561 WeakPolarHBondContact O-CB 3.38Å; N557-F561 PolarHBondContact O-N 2.84Å; T558-F561 WeakPolarHBondContact O-CB 3.47Å; T558-F561 PolarHBondContact O-N 3.08Å; F561-G563 VanDerWaalsContact C-N 3.27Å; F561-G563 PolarHBondContact O-N 2.84Å; F561-A564 WeakPolarHBondContact O-CB 3.3Å; F561-A564 PolarHBondContact O-N 2.72Å; F561-A564 VanDerWaalsContact O-N 3.1Å; F561-Q565 HydrophobicContact CD2-CG 4.36Å; F561-Q565 HydrophobicContact CE1-CG 4.04Å; F561-Q565 HydrophobicContact CE2-CG 3.74Å; F561-Q565 VanDerWaalsContact CE2-NE2 3.3Å; F561-Q565 HydrophobicContact CZ-CG 3.51Å; F561-Q565 WeakPolarHBondContact O-CG 3.17Å; F561-Q565 PolarHBondContact O-N 3.14Å; F561-V683 HydrophobicContact CB-CG1 4.35Å; F561-V683 HydrophobicContact CG-CG1 4.38Å
562	I	95.9	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.1	-38.1	176.4	-59.6	162.1	0	0	0	110.4	F530 L536 T558 A564 Q565 T566	F530-I562 HydrophobicContact CB-CD1 3.96Å; F530-I562 HydrophobicContact CD2-CD1 4.09Å; F530-I562 HydrophobicContact CG-CD1 4.4Å; L536-I562 HydrophobicContact CD1-CG2 3.78Å; L536-I562 HydrophobicContact CD2-CD1 4.16Å; L536-I562 HydrophobicContact CD2-CG2 4.27Å; L536-I562 HydrophobicContact CG-CG2 4.43Å; T558-I562 HydrophobicContact CG2-CD1 4.13Å; T558-I562 WeakPolarHBondContact O-CG1 3.48Å; T558-I562 PolarHBondContact O-N 3.1Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 3.11Å; I562-Q565 PolarHBondContact O-N 2.94Å; I562-T566 HydrophobicContact CG2-CG2 4.23Å; I562-T566 WeakPolarHBondContact O-CG2 3.45Å; I562-T566 PolarHBondContact O-N 3.38Å; I562-T566 PolarHBondContact O-OG1 3.14Å
563	G	95.9	Very high	96.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-60	-41.2	172.6	0	0	0	0	0	112.7	S244 V559 G560 F561 T566 G567 F568	S244-G563 VanDerWaalsContact CA-O 3.25Å; S244-G563 WeakPolarHBondContact CA-O 3.48Å; S244-G563 VanDerWaalsContact CB-O 3.31Å; S244-G563 WeakPolarHBondContact CB-O 3.44Å; V559-G563 PolarHBondContact O-N 3.37Å; G560-G563 PolarHBondContact O-N 2.82Å; F561-G563 VanDerWaalsContact C-N 3.27Å; F561-G563 PolarHBondContact O-N 2.84Å; G563-T566 PolarHBondContact O-N 3.17Å; G563-T566 PolarHBondContact O-OG1 3.38Å; G563-G567 WeakPolarHBondContact O-CA 3.49Å; G563-G567 PolarHBondContact O-N 3.03Å; G563-F568 WeakPolarHBondContact CA-O 3.48Å; G563-F568 PolarHBondContact O-N 3.06Å
564	A	94.2	Very high	96.1	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-40.9	174.9	0	0	0	0	0	112.2	G243 N350 G560 F561 I562	G243-A564 WeakPolarHBondContact O-CA 3.15Å; G243-A564 VanDerWaalsContact O-CB 3.29Å; G243-A564 WeakPolarHBondContact O-CB 3.09Å; N350-A564 PolarHBondContact ND2-O 2.81Å; G560-A564 PolarHBondContact O-N 2.84Å; F561-A564 WeakPolarHBondContact O-CB 3.3Å; F561-A564 PolarHBondContact O-N 2.72Å; F561-A564 VanDerWaalsContact O-N 3.1Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 3.11Å
565	Q	93.1	Very high	96.1	Very high	43 Å²	43	12.7 Å²	12.7	20%	0.201	7%	0.073	C	C	.	.	H	α-helix	trans	-70.7	-36.6	178.6	-64.7	-49.5	-41.2	0	0	113.1	N350 N525 F561 I562	N350-Q565 WeakPolarHBondContact CB-O 3.47Å; N525-Q565 VanDerWaalsContact O-CD 3.23Å; N525-Q565 PolarHBondContact O-OE1 3.28Å; N525-Q565 VanDerWaalsContact O-OE1 3.1Å; F561-Q565 HydrophobicContact CD2-CG 4.36Å; F561-Q565 HydrophobicContact CE1-CG 4.04Å; F561-Q565 HydrophobicContact CE2-CG 3.74Å; F561-Q565 VanDerWaalsContact CE2-NE2 3.3Å; F561-Q565 HydrophobicContact CZ-CG 3.51Å; F561-Q565 WeakPolarHBondContact O-CG 3.17Å; F561-Q565 PolarHBondContact O-N 3.14Å; I562-Q565 PolarHBondContact O-N 2.94Å
566	T	94.8	Very high	96.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-87.7	-24.7	-178.2	56.6	0	0	0	0	113.1	A348 P349 N350 I562 G563 F568	A348-T566 CarbonylContact C-O 3.56Å; A348-T566 HydrophobicContact CB-CG2 4.27Å; P349-T566 WeakPolarHBondContact CD-O 3.3Å; N350-T566 PolarHBondContact N-O 3.46Å; I562-T566 HydrophobicContact CG2-CG2 4.23Å; I562-T566 WeakPolarHBondContact O-CG2 3.45Å; I562-T566 PolarHBondContact O-N 3.38Å; I562-T566 PolarHBondContact O-OG1 3.14Å; G563-T566 PolarHBondContact O-N 3.17Å; G563-T566 PolarHBondContact O-OG1 3.38Å; T566-F568 PolarHBondContact OG1-N 3.2Å; T566-F568 PolarHBondContact OG1-O 3.06Å
567	G	94.3	Very high	95.9	Very high	19 Å²	19	16.2 Å²	16.2	20%	0.196	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	18	-170.6	0	0	0	0	0	112.9	N350 G563	N350-G567 VanDerWaalsContact CG-CA 3.45Å; N350-G567 WeakPolarHBondContact ND2-CA 3.44Å; N350-G567 PolarHBondContact ND2-N 2.61Å; G563-G567 WeakPolarHBondContact O-CA 3.49Å; G563-G567 PolarHBondContact O-N 3.03Å
568	F	96.1	Very high	95.7	Very high	45 Å²	45	19.5 Å²	19.5	20%	0.197	11%	0.11	C	C	.	.	S	Bend	trans	-144	145	-177.2	-162.7	-95.8	0	0	0	112.1	R343 A534 D535 G563 T566 I571	R343-F568 VanDerWaalsContact NH1-CZ 3.32Å; A534-F568 HydrophobicContact CB-CB 4.14Å; D535-F568 HydrophobicContact CB-CD1 4.13Å; D535-F568 HydrophobicContact CB-CE1 3.88Å; G563-F568 WeakPolarHBondContact CA-O 3.48Å; G563-F568 PolarHBondContact O-N 3.06Å; T566-F568 PolarHBondContact OG1-N 3.2Å; T566-F568 PolarHBondContact OG1-O 3.06Å; F568-I571 HydrophobicContact CE1-CD1 3.68Å; F568-I571 HydrophobicContact CE1-CG1 4.23Å; F568-I571 HydrophobicContact CZ-CD1 3.77Å
569	P	96.8	Very high	95.2	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.045	12%	0.118	C	C	.	.			trans	-71.2	149.2	176.9	27.2	-36.6	0	0	0	113.8	W241 A321 I571	W241-P569 HydrophobicContact CB-CB 3.95Å; A321-P569 HydrophobicContact CB-CB 4.22Å; A321-P569 HydrophobicContact CB-CG 3.98Å; P569-I571 HydrophobicContact CB-CG1 4.04Å; P569-I571 HydrophobicContact CG-CD1 3.82Å; P569-I571 HydrophobicContact CG-CG1 3.78Å; P569-I571 PolarHBondContact O-N 3.11Å
570	A	96.6	Very high	94.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	14%	0.136	C	C	.	.			trans	-76.4	56.5	178.4	0	0	0	0	0	113	S240 D535 L536 N572 L573	S240-A570 WeakPolarHBondContact OG-CB 3.45Å; S240-A570 PolarHBondContact OG-N 2.99Å; D535-A570 CarbonylContact O-C 3.34Å; L536-A570 HydrophobicContact CB-CB 4.13Å; L536-A570 HydrophobicContact CD1-CB 4.03Å; L536-A570 HydrophobicContact CD2-CB 3.78Å; L536-A570 HydrophobicContact CG-CB 4.19Å; A570-N572 VanDerWaalsContact C-N 3.3Å; A570-N572 PolarHBondContact O-N 3.48Å; A570-L573 HydrophobicContact CB-CB 4.15Å; A570-L573 WeakPolarHBondContact O-CB 3.48Å; A570-L573 PolarHBondContact O-N 3.43Å
571	I	95.1	Very high	94.4	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.041	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.1	-170	-62.6	175.5	0	0	0	113.2	K318 A321 Q322 D535 F568 P569	K318-I571 HydrophobicContact CD-CG2 4.41Å; K318-I571 HydrophobicContact CG-CG2 4.22Å; A321-I571 HydrophobicContact CB-CD1 4.34Å; A321-I571 HydrophobicContact CB-CG1 4.31Å; Q322-I571 HydrophobicContact CG-CD1 3.52Å; D535-I571 PolarHBondContact O-N 3.07Å; F568-I571 HydrophobicContact CE1-CD1 3.68Å; F568-I571 HydrophobicContact CE1-CG1 4.23Å; F568-I571 HydrophobicContact CZ-CD1 3.77Å; P569-I571 HydrophobicContact CB-CG1 4.04Å; P569-I571 HydrophobicContact CG-CD1 3.82Å; P569-I571 HydrophobicContact CG-CG1 3.78Å; P569-I571 PolarHBondContact O-N 3.11Å
572	N	95.6	Very high	94.2	Very high	59 Å²	59	25.4 Å²	25.4	32%	0.316	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	16.6	-174.1	-71.6	-37.5	0	0	0	112.4	D535 A570 T574	D535-N572 PolarHBondContact O-N 3.01Å; D535-N572 PolarHBondContact OD2-ND2 2.73Å; A570-N572 VanDerWaalsContact C-N 3.3Å; A570-N572 PolarHBondContact O-N 3.48Å; N572-T574 PolarHBondContact O-N 2.74Å
573	L	96.8	Very high	94	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.171	C	C	.	.			trans	-59.7	131.8	168.8	176.3	65.8	0	0	0	110.1	Q233 A236 L536 T539 V559 A570 V575	Q233-L573 PolarHBondContact NE2-O 2.98Å; A236-L573 HydrophobicContact CB-CD2 4.07Å; L536-L573 HydrophobicContact CB-CB 4.14Å; L536-L573 HydrophobicContact CB-CD1 4.31Å; L536-L573 HydrophobicContact CD2-CD1 4.22Å; T539-L573 HydrophobicContact CG2-CD1 3.59Å; V559-L573 HydrophobicContact CG1-CD2 3.7Å; A570-L573 HydrophobicContact CB-CB 4.15Å; A570-L573 WeakPolarHBondContact O-CB 3.48Å; A570-L573 PolarHBondContact O-N 3.43Å; L573-V575 HydrophobicContact CD2-CG2 4.3Å; L573-V575 HydrophobicContact CG-CG2 4.38Å
574	T	97.1	Very high	93.6	Very high	66 Å²	66	32.6 Å²	32.6	41%	0.405	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.1	171.3	-58.7	0	0	0	0	109.4	T539 I540 T541 N572	T539-T574 PolarHBondContact O-N 3.39Å; I540-T574 CarbonylContact C-O 3.51Å; I540-T574 WeakPolarHBondContact CA-O 3.48Å; I540-T574 HydrophobicContact CG2-CG2 4.44Å; T541-T574 PolarHBondContact N-O 3.3Å; N572-T574 PolarHBondContact O-N 2.74Å
575	V	97.4	Very high	93.6	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.3	171.8	-175.9	0	0	0	0	108.5	V229 Q232 Q233 T541 M543 L573	V229-V575 HydrophobicContact CG1-CB 4.12Å; V229-V575 HydrophobicContact CG1-CG1 4.23Å; V229-V575 WeakPolarHBondContact CG1-O 3.33Å; Q232-V575 HydrophobicContact CB-CG1 4.11Å; Q233-V575 HydrophobicContact CB-CB 4.37Å; Q233-V575 HydrophobicContact CB-CG2 4.03Å; Q233-V575 HydrophobicContact CG-CG2 4.38Å; T541-V575 CarbonylContact O-C 3.55Å; T541-V575 WeakPolarHBondContact O-CA 3.13Å; M543-V575 HydrophobicContact CB-CG1 4.41Å; M543-V575 HydrophobicContact CG-CG1 3.88Å; L573-V575 HydrophobicContact CD2-CG2 4.3Å; L573-V575 HydrophobicContact CG-CG2 4.38Å
576	T	96.6	Very high	93.7	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.2	174.1	-174.4	0	0	0	0	110.4	I540 T541 V542 M543 D578 T581 I582	I540-T576 HydrophobicContact CG2-CG2 3.8Å; T541-T576 PolarHBondContact O-N 2.84Å; V542-T576 CarbonylContact C-O 3.55Å; V542-T576 VanDerWaalsContact CA-O 3.31Å; V542-T576 WeakPolarHBondContact CA-O 3.4Å; V542-T576 HydrophobicContact CG2-CG2 4.02Å; M543-T576 PolarHBondContact N-O 2.87Å; T576-D578 PolarHBondContact OG1-N 3.35Å; T576-D578 PolarHBondContact OG1-O 3Å; T576-T581 WeakPolarHBondContact CG2-OG1 3.28Å; T576-T581 PolarHBondContact OG1-OG1 3.37Å; T576-T581 VanDerWaalsContact OG1-OG1 3.04Å; T576-I582 HydrophobicContact CG2-CG2 4.28Å
577	D	94.7	Very high	93.7	Very high	60 Å²	60	40 Å²	40	32%	0.321	24%	0.239	S	C	.	.	S	Bend	trans	-107	3.3	172	68.2	-26	0	0	0	112.9	V229 M543 K545	V229-D577 HydrophobicContact CG2-CB 3.87Å; M543-D577 VanDerWaalsContact O-CA 3.32Å; M543-D577 WeakPolarHBondContact O-CA 3.32Å; K545-D577 HydrophobicContact CG-CB 4.08Å
578	D	92.4	Very high	93.9	Very high	69 Å²	69	39.3 Å²	39.3	37%	0.369	23%	0.23	S	C	.	.			trans	-119.2	106.3	-179.3	179.4	12.6	0	0	0	111	T576 S580 T581	T576-D578 PolarHBondContact OG1-N 3.35Å; T576-D578 PolarHBondContact OG1-O 3Å; D578-S580 PolarHBondContact O-N 2.72Å; D578-S580 VanDerWaalsContact OD1-CB 3.27Å; D578-S580 WeakPolarHBondContact OD1-CB 3.43Å; D578-S580 PolarHBondContact OD1-N 2.79Å; D578-S580 PolarHBondContact OD1-OG 3.36Å; D578-S580 PolarHBondContact OD2-OG 2.86Å; D578-T581 HydrophobicContact CB-CG2 3.96Å; D578-T581 WeakPolarHBondContact O-CB 3.23Å; D578-T581 PolarHBondContact O-N 3.04Å; D578-T581 PolarHBondContact O-OG1 3.22Å
579	G	86	Confident	94	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-3.9	175.6	0	0	0	0	0	115	I582	G579-I582 WeakPolarHBondContact O-CG1 3.38Å
580	S	88.1	Confident	94	Very high	53 Å²	53	36.8 Å²	36.8	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.1	169.7	89.1	0	0	0	0	112.9	D578 I582 Q583	D578-S580 PolarHBondContact O-N 2.72Å; D578-S580 VanDerWaalsContact OD1-CB 3.27Å; D578-S580 WeakPolarHBondContact OD1-CB 3.43Å; D578-S580 PolarHBondContact OD1-N 2.79Å; D578-S580 PolarHBondContact OD1-OG 3.36Å; D578-S580 PolarHBondContact OD2-OG 2.86Å; S580-I582 VanDerWaalsContact C-N 3.3Å; S580-I582 PolarHBondContact O-N 3.22Å; S580-Q583 WeakPolarHBondContact O-CG 3.16Å; S580-Q583 PolarHBondContact O-N 2.92Å
581	T	89.4	Confident	94	Very high	58 Å²	58	36.8 Å²	36.8	36%	0.356	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.3	-173.2	65.4	0	0	0	0	113.9	T576 D578 Q583 K585	T576-T581 WeakPolarHBondContact CG2-OG1 3.28Å; T576-T581 PolarHBondContact OG1-OG1 3.37Å; T576-T581 VanDerWaalsContact OG1-OG1 3.04Å; D578-T581 HydrophobicContact CB-CG2 3.96Å; D578-T581 WeakPolarHBondContact O-CB 3.23Å; D578-T581 PolarHBondContact O-N 3.04Å; D578-T581 PolarHBondContact O-OG1 3.22Å; T581-Q583 VanDerWaalsContact C-N 3.34Å; T581-K585 WeakPolarHBondContact O-CE 3.29Å; T581-K585 WeakPolarHBondContact O-CG 3.4Å
582	I	91.6	Very high	94.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.7	178.9	59	173.6	0	0	0	113.3	I540 V542 T576 G579 S580 G584 K585 I589 L599 Y659	I540-I582 HydrophobicContact CD1-CG2 4.49Å; I540-I582 HydrophobicContact CG2-CG2 3.88Å; V542-I582 HydrophobicContact CG2-CD1 4.34Å; V542-I582 HydrophobicContact CG2-CG2 3.84Å; T576-I582 HydrophobicContact CG2-CG2 4.28Å; G579-I582 WeakPolarHBondContact O-CG1 3.38Å; S580-I582 VanDerWaalsContact C-N 3.3Å; S580-I582 PolarHBondContact O-N 3.22Å; I582-G584 PolarHBondContact O-N 2.86Å; I582-K585 WeakPolarHBondContact O-CB 3.35Å; I582-K585 WeakPolarHBondContact O-CG 3.22Å; I582-K585 PolarHBondContact O-N 3.49Å; I582-I589 HydrophobicContact CB-CD1 4.11Å; I582-I589 HydrophobicContact CD1-CD1 4.21Å; I582-I589 HydrophobicContact CD1-CG2 4.46Å; I582-L599 HydrophobicContact CD1-CD1 3.68Å; I582-L599 HydrophobicContact CD1-CG 4.29Å; I582-Y659 HydrophobicContact CD1-CE2 4.32Å; I582-Y659 HydrophobicContact CG1-CE2 4.12Å; I582-Y659 VanDerWaalsContact O-CD2 3.29Å; I582-Y659 WeakPolarHBondContact O-CD2 3.41Å
583	Q	90.5	Very high	93.8	Very high	86 Å²	86	34 Å²	34	40%	0.402	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	130.5	-177.4	-63.5	-163	-68.2	0	0	111.8	S580 T581 K585 K598 Y659	S580-Q583 WeakPolarHBondContact O-CG 3.16Å; S580-Q583 PolarHBondContact O-N 2.92Å; T581-Q583 VanDerWaalsContact C-N 3.34Å; Q583-K585 PolarHBondContact O-N 2.67Å; Q583-K598 VanDerWaalsContact CD-NZ 3.28Å; Q583-Y659 HydrophobicContact CB-CE1 4.5Å; Q583-Y659 HydrophobicContact CG-CE1 4.33Å
584	G	88.9	Confident	93.4	Very high	65 Å²	65	37 Å²	37	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	14.9	177.5	0	0	0	0	0	114.5	I582	I582-G584 PolarHBondContact O-N 2.86Å
585	K	92.9	Very high	93	Very high	107 Å²	107	34.2 Å²	34.2	47%	0.465	22%	0.219	S	C	.	.			trans	-83.9	138.3	177.5	-63.3	-64.2	-175.7	177.8	0	111.1	I540 T581 I582 Q583 A587	I540-K585 HydrophobicContact CD1-CB 3.99Å; I540-K585 HydrophobicContact CD1-CG 3.99Å; T581-K585 WeakPolarHBondContact O-CE 3.29Å; T581-K585 WeakPolarHBondContact O-CG 3.4Å; I582-K585 WeakPolarHBondContact O-CB 3.35Å; I582-K585 WeakPolarHBondContact O-CG 3.22Å; I582-K585 PolarHBondContact O-N 3.49Å; Q583-K585 PolarHBondContact O-N 2.67Å; K585-A587 VanDerWaalsContact C-N 3.31Å; K585-A587 PolarHBondContact O-N 2.99Å
586	D	95.5	Very high	92.6	Very high	91 Å²	91	35 Å²	35	49%	0.487	22%	0.224	S	C	.	.			trans	-87.9	69.4	169.2	179.5	27.8	0	0	0	110.2	N660 R663	D586-N660 PolarHBondContact OD1-ND2 3.46Å; D586-R663 IonicContact OD1-CZ 3.77Å; D586-R663 VanDerWaalsContact OD1-CZ 3.24Å; D586-R663 IonicContact OD1-NE 2.76Å; D586-R663 PolarHBondContact OD1-NE 2.94Å; D586-R663 IonicContact OD1-NH2 3.77Å; D586-R663 PolarHBondContact OD1-NH2 2.76Å; D586-R663 IonicContact OD2-NH2 3.97Å; D586-R663 PolarHBondContact OD2-NH2 3.03Å
587	A	96.3	Very high	92.1	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	25%	0.251	C	S	.	.	S	Bend	trans	-149	151.9	-179.6	0	0	0	0	0	111.1	Q538 I540 K585 R663	Q538-A587 CarbonylContact O-C 3.56Å; Q538-A587 WeakPolarHBondContact O-CA 3.43Å; Q538-A587 WeakPolarHBondContact O-CB 3.47Å; I540-A587 HydrophobicContact CD1-CB 3.79Å; I540-A587 HydrophobicContact CG1-CB 3.85Å; K585-A587 VanDerWaalsContact C-N 3.31Å; K585-A587 PolarHBondContact O-N 2.99Å; A587-R663 WeakPolarHBondContact O-CB 3.49Å
588	D	97.6	Very high	91.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.1	169.8	-63.7	-73.2	0	0	0	109.2	P529 F530 Q538 T539 I540 R663 S664	P529-D588 HydrophobicContact CG-CB 3.98Å; P529-D588 WeakPolarHBondContact CG-OD1 3.36Å; F530-D588 HydrophobicContact CD1-CB 3.78Å; F530-D588 HydrophobicContact CE1-CB 3.74Å; Q538-D588 PolarHBondContact O-N 3.32Å; T539-D588 WeakPolarHBondContact CA-O 3.48Å; I540-D588 PolarHBondContact N-O 2.84Å; D588-R663 WeakPolarHBondContact OD1-CA 3.49Å; D588-R663 IonicContact OD2-NH1 3.78Å; D588-R663 PolarHBondContact OD2-NH1 2.82Å; D588-S664 WeakPolarHBondContact CA-O 3.42Å; D588-S664 PolarHBondContact OD1-N 3.05Å
589	I	97.5	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.6	-169.3	-55.5	170.3	0	0	0	109.3	I540 V542 I582 I591 Y659 S664 V665 I666	I540-I589 CarbonylContact O-C 3.54Å; I540-I589 WeakPolarHBondContact O-CA 3.5Å; V542-I589 HydrophobicContact CG2-CG2 3.99Å; I582-I589 HydrophobicContact CB-CD1 4.11Å; I582-I589 HydrophobicContact CD1-CD1 4.21Å; I582-I589 HydrophobicContact CD1-CG2 4.46Å; I589-I591 HydrophobicContact CG2-CD1 4.44Å; I589-I591 HydrophobicContact CG2-CG1 3.96Å; I589-Y659 HydrophobicContact CD1-CD2 4.32Å; I589-S664 PolarHBondContact N-O 2.65Å; I589-V665 HydrophobicContact CB-CG1 4.24Å; I589-V665 HydrophobicContact CB-CG2 4.17Å; I589-V665 HydrophobicContact CD1-CG2 4.28Å; I589-V665 HydrophobicContact CG2-CG1 4.33Å; I589-V665 CarbonylContact O-C 3.48Å; I589-V665 VanDerWaalsContact O-CA 3.28Å; I589-V665 WeakPolarHBondContact O-CA 3.31Å; I589-I666 PolarHBondContact O-N 2.76Å
590	M	97.6	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.7	169.8	-172.3	161.9	61.9	0	0	108.8	F530 I540 T541 V542 L555 T558 V559 I666 L668	F530-M590 HydrophobicContact CD2-SD 4.39Å; F530-M590 HydrophobicContact CE1-CB 3.92Å; F530-M590 HydrophobicContact CE2-CB 4.07Å; F530-M590 HydrophobicContact CE2-CG 4.2Å; F530-M590 HydrophobicContact CE2-SD 4.1Å; F530-M590 HydrophobicContact CZ-CB 3.57Å; F530-M590 HydrophobicContact CZ-CG 4.14Å; I540-M590 PolarHBondContact O-N 3.19Å; T541-M590 CarbonylContact C-O 3.59Å; T541-M590 VanDerWaalsContact CA-O 3.22Å; T541-M590 WeakPolarHBondContact CA-O 3.36Å; T541-M590 HydrophobicContact CG2-CB 4.24Å; T541-M590 HydrophobicContact CG2-CE 3.87Å; T541-M590 HydrophobicContact CG2-CG 4.32Å; T541-M590 WeakPolarHBondContact OG1-CE 3.28Å; V542-M590 PolarHBondContact N-O 3.02Å; L555-M590 HydrophobicContact CD1-CE 4.38Å; T558-M590 HydrophobicContact CG2-CE 4.29Å; T558-M590 HydrophobicContact CG2-SD 3.49Å; T558-M590 WeakPolarHBondContact CG2-SD 3.12Å; V559-M590 HydrophobicContact CG1-CE 4.02Å; M590-I666 CarbonylContact C-O 3.43Å; M590-I666 WeakPolarHBondContact CA-O 3.37Å; M590-L668 HydrophobicContact CG-CD1 4.01Å; M590-L668 HydrophobicContact SD-CD1 4Å
591	I	96.8	Very high	90.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.1	178.1	-58.3	173	0	0	0	108	V542 I589 I595 L599 V665 I666 A667 L668	V542-I591 HydrophobicContact CB-CG1 4.26Å; V542-I591 HydrophobicContact CG2-CG1 4.4Å; I589-I591 HydrophobicContact CG2-CD1 4.44Å; I589-I591 HydrophobicContact CG2-CG1 3.96Å; I591-I595 HydrophobicContact CD1-CG2 4.38Å; I591-L599 HydrophobicContact CD1-CD1 3.75Å; I591-V665 HydrophobicContact CD1-CG1 3.56Å; I591-V665 HydrophobicContact CG1-CG1 4.12Å; I591-I666 PolarHBondContact N-O 3.15Å; I591-A667 HydrophobicContact CB-CB 3.78Å; I591-A667 HydrophobicContact CD1-CB 4.36Å; I591-A667 HydrophobicContact CG2-CB 4.3Å; I591-A667 CarbonylContact O-C 3.43Å; I591-A667 WeakPolarHBondContact O-CA 3.46Å; I591-L668 WeakPolarHBondContact O-CB 3.26Å; I591-L668 PolarHBondContact O-N 2.79Å
592	I	96	Very high	89.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.3	171.3	-63.9	168.5	0	0	0	107	T541 V542 M543 P544 Q551 T554 L555 L668 Y676	T541-I592 HydrophobicContact CG2-CD1 4.2Å; V542-I592 PolarHBondContact O-N 2.89Å; M543-I592 HydrophobicContact SD-CB 3.68Å; M543-I592 HydrophobicContact SD-CD1 3.76Å; M543-I592 HydrophobicContact SD-CG1 4.23Å; M543-I592 HydrophobicContact SD-CG2 4.08Å; P544-I592 WeakPolarHBondContact CD-O 3.35Å; Q551-I592 HydrophobicContact CB-CG2 4.32Å; T554-I592 HydrophobicContact CG2-CD1 4.23Å; T554-I592 HydrophobicContact CG2-CG1 4.25Å; T554-I592 HydrophobicContact CG2-CG2 4.06Å; L555-I592 HydrophobicContact CB-CD1 3.64Å; L555-I592 HydrophobicContact CD1-CD1 4.05Å; L555-I592 HydrophobicContact CG-CD1 4.47Å; I592-L668 HydrophobicContact CD1-CD1 4.28Å; I592-L668 HydrophobicContact CG1-CB 4.07Å; I592-L668 HydrophobicContact CG1-CD1 3.77Å; I592-Y676 HydrophobicContact CG2-CE1 4.3Å
593	G	91.1	Very high	88.2	Confident	6 Å²	6	52.2 Å²	52.2	6%	0.062	29%	0.289	C	S	.	.	S	Bend	trans	97.5	-141.6	-172.3	0	0	0	0	0	113.8	L668 L669 Y676	G593-L668 PolarHBondContact N-O 3.46Å; G593-L668 VanDerWaalsContact N-O 3.1Å; G593-L669 WeakPolarHBondContact O-CD2 3.07Å; G593-Y676 WeakPolarHBondContact CA-OH 3.31Å
594	G	87.4	Confident	87.4	Confident	65 Å²	65	51 Å²	51	67%	0.67	28%	0.283	S	S	*	.	S	Bend	trans	-74.7	134.9	-174.6	0	0	0	0	0	112.5
595	I	89.5	Confident	86.9	Confident	7 Å²	7	48 Å²	48	4%	0.036	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-64.8	129.2	168.6	-54.6	177.5	0	0	0	108.6	I591 L599 K600 I605 L608 I653 A667 L669	I591-I595 HydrophobicContact CD1-CG2 4.38Å; I595-L599 HydrophobicContact CG2-CB 3.71Å; I595-K600 HydrophobicContact CB-CG 4.34Å; I595-K600 HydrophobicContact CG2-CG 4.12Å; I595-K600 WeakPolarHBondContact O-CE 3.39Å; I595-I605 HydrophobicContact CD1-CD1 3.84Å; I595-I605 HydrophobicContact CG2-CD1 4.3Å; I595-L608 HydrophobicContact CB-CD1 4.46Å; I595-L608 HydrophobicContact CD1-CD1 3.66Å; I595-L608 HydrophobicContact CG1-CD1 4.24Å; I595-I653 HydrophobicContact CD1-CD1 3.45Å; I595-I653 VanDerWaalsContact CD1-CD1 3.45Å; I595-A667 HydrophobicContact CG1-CB 4.26Å; I595-L669 HydrophobicContact CD1-CD1 4.21Å; I595-L669 HydrophobicContact CD1-CD2 4.47Å; I595-L669 HydrophobicContact CG1-CD1 4.48Å; I595-L669 HydrophobicContact CG1-CD2 3.9Å
596	P	88.9	Confident	86.3	Confident	24 Å²	24	43.6 Å²	43.6	16%	0.156	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-58.3	143	173.5	-25.1	34.3	0	0	0	112.2	V542 K598 L599 K600	V542-P596 HydrophobicContact CG1-CG 4.25Å; P596-K598 PolarHBondContact O-N 3.01Å; P596-K598 VanDerWaalsContact O-N 3.08Å; P596-L599 PolarHBondContact O-N 3.27Å; P596-K600 PolarHBondContact O-N 3.39Å
597	D	84.7	Confident	85.7	Confident	122 Å²	122	39.5 Å²	39.5	65%	0.652	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-57	-33.1	-174	-64.8	-34.9	0	0	0	113.8	L599 K600	D597-L599 PolarHBondContact O-N 3.34Å; D597-K600 WeakPolarHBondContact O-CB 3.33Å; D597-K600 PolarHBondContact O-N 3.36Å; D597-K600 VanDerWaalsContact O-N 3.1Å; D597-K600 WeakPolarHBondContact OD1-CE 3.27Å; D597-K600 IonicContact OD1-NZ 3.74Å; D597-K600 PolarHBondContact OD1-NZ 2.8Å
598	K	82.8	Confident	84.8	Confident	123 Å²	123	39.6 Å²	39.6	54%	0.535	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-69.7	-14.8	177.9	-61.8	-169.5	-179.5	169.6	0	114.3	Q583 P596	Q583-K598 VanDerWaalsContact CD-NZ 3.28Å; P596-K598 PolarHBondContact O-N 3.01Å; P596-K598 VanDerWaalsContact O-N 3.08Å
599	L	85.9	Confident	83.7	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-99.5	-9.3	173.3	-68.4	-178.3	0	0	0	112.1	I582 I591 I595 P596 D597 D601 I605 P658 Y659	I582-L599 HydrophobicContact CD1-CD1 3.68Å; I582-L599 HydrophobicContact CD1-CG 4.29Å; I591-L599 HydrophobicContact CD1-CD1 3.75Å; I595-L599 HydrophobicContact CG2-CB 3.71Å; P596-L599 PolarHBondContact O-N 3.27Å; D597-L599 PolarHBondContact O-N 3.34Å; L599-D601 PolarHBondContact O-N 2.86Å; L599-I605 VanDerWaalsContact O-CD1 3.31Å; L599-I605 WeakPolarHBondContact O-CD1 3.45Å; L599-P658 HydrophobicContact CD2-CG 3.44Å; L599-P658 VanDerWaalsContact CD2-CG 3.44Å; L599-Y659 HydrophobicContact CD2-CE2 3.81Å
600	K	80.6	Confident	82.6	Confident	72 Å²	72	44.3 Å²	44.3	31%	0.313	23%	0.233	S	C	.	.			trans	-75.7	64.1	175.2	-64.6	-179.5	-172.9	157.3	0	110.9	I595 P596 D597	I595-K600 HydrophobicContact CB-CG 4.34Å; I595-K600 HydrophobicContact CG2-CG 4.12Å; I595-K600 WeakPolarHBondContact O-CE 3.39Å; P596-K600 PolarHBondContact O-N 3.39Å; D597-K600 WeakPolarHBondContact O-CB 3.33Å; D597-K600 PolarHBondContact O-N 3.36Å; D597-K600 VanDerWaalsContact O-N 3.1Å; D597-K600 WeakPolarHBondContact OD1-CE 3.27Å; D597-K600 IonicContact OD1-NZ 3.74Å; D597-K600 PolarHBondContact OD1-NZ 2.8Å
601	D	76.6	Confident	81	Confident	71 Å²	71	48 Å²	48	38%	0.38	26%	0.264	S	S	.	.			trans	-88.1	112.3	164.8	-172.1	-5.9	0	0	0	109.1	L599 K603 Q604 I605	L599-D601 PolarHBondContact O-N 2.86Å; D601-K603 PolarHBondContact O-N 2.78Å; D601-K603 WeakPolarHBondContact OD1-CB 3.46Å; D601-K603 PolarHBondContact OD1-N 3.13Å; D601-Q604 PolarHBondContact O-N 3.17Å; D601-I605 PolarHBondContact O-N 3.06Å
602	D	65.7	Low	79.2	Confident	72 Å²	72	53.2 Å²	53.2	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-15.9	175.5	-90.6	20.9	0	0	0	112.7	K617 R640	D602-K617 WeakPolarHBondContact O-CE 3.46Å; D602-K617 PolarHBondContact O-NZ 2.78Å; D602-R640 IonicContact OD1-NH2 2.98Å; D602-R640 IonicContact OD2-CZ 3.3Å; D602-R640 IonicContact OD2-NH1 3.75Å; D602-R640 PolarHBondContact OD2-NH1 2.84Å; D602-R640 IonicContact OD2-NH2 2.9Å; D602-R640 PolarHBondContact OD2-NH2 3.46Å; D602-R640 VanDerWaalsContact OD2-NH2 3.16Å
603	K	68.7	Low	78.1	Confident	170 Å²	170	57.2 Å²	57.2	74%	0.739	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-42	173.6	-66.6	-176.1	178.9	-178.7	0	113.2	D601 K617	D601-K603 PolarHBondContact O-N 2.78Å; D601-K603 WeakPolarHBondContact OD1-CB 3.46Å; D601-K603 PolarHBondContact OD1-N 3.13Å; K603-K617 PolarHBondContact O-NZ 2.86Å
604	Q	73.9	Confident	77.6	Confident	61 Å²	61	57.8 Å²	57.8	29%	0.285	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-24.9	-173.4	-65.3	-172.5	-39.5	0	0	113.4	D601	D601-Q604 PolarHBondContact O-N 3.17Å
605	I	79.4	Confident	77.5	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.288	C	S	.	.			trans	-90.1	131.9	178.5	-62.8	178.8	0	0	0	109.8	I595 L599 D601 L607 W615 K617 I653 F655	I595-I605 HydrophobicContact CD1-CD1 3.84Å; I595-I605 HydrophobicContact CG2-CD1 4.3Å; L599-I605 VanDerWaalsContact O-CD1 3.31Å; L599-I605 WeakPolarHBondContact O-CD1 3.45Å; D601-I605 PolarHBondContact O-N 3.06Å; I605-L607 WeakPolarHBondContact CG2-O 3.26Å; I605-W615 HydrophobicContact CB-CH2 3.86Å; I605-W615 HydrophobicContact CG2-CH2 3.5Å; I605-W615 VanDerWaalsContact CG2-CH2 3.5Å; I605-W615 HydrophobicContact CG2-CZ2 4.1Å; I605-W615 HydrophobicContact CG2-CZ3 4.21Å; I605-W615 VanDerWaalsContact O-CH2 3.32Å; I605-W615 WeakPolarHBondContact O-CH2 3.29Å; I605-W615 WeakPolarHBondContact O-CZ3 3.29Å; I605-K617 WeakPolarHBondContact O-CE 3.46Å; I605-K617 PolarHBondContact O-NZ 3.01Å; I605-I653 HydrophobicContact CG2-CD1 4.32Å; I605-F655 HydrophobicContact CG1-CD1 4.46Å; I605-F655 HydrophobicContact CG1-CE1 4.32Å; I605-F655 HydrophobicContact CG1-CZ 4.38Å
606	D	80.5	Confident	77.3	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.07	29%	0.293	C	S	.	.	S	Bend	trans	-104.2	-10.7	176	-61.6	-49.3	0	0	0	113.8	V616 K617 V696 V709	D606-V616 CarbonylContact O-C 3.54Å; D606-V616 WeakPolarHBondContact O-CA 3.4Å; D606-K617 HydrophobicContact CB-CB 4.4Å; D606-K617 PolarHBondContact O-N 2.91Å; D606-K617 WeakPolarHBondContact OD1-CD 3.05Å; D606-K617 IonicContact OD1-NZ 2.74Å; D606-V696 HydrophobicContact CB-CG2 3.79Å; D606-V709 HydrophobicContact CB-CB 4.49Å; D606-V709 HydrophobicContact CB-CG1 3.45Å; D606-V709 VanDerWaalsContact CB-CG1 3.45Å; D606-V709 HydrophobicContact CB-CG2 4.4Å
607	L	82.1	Confident	77.1	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.3	172.6	179.3	151.7	0	0	0	111.3	I605 V609 W615 V616 A651 I653 L669 V696 V698	I605-L607 WeakPolarHBondContact CG2-O 3.26Å; L607-V609 HydrophobicContact CD2-CG2 3.46Å; L607-V609 VanDerWaalsContact CD2-CG2 3.46Å; L607-W615 VanDerWaalsContact CA-O 3.31Å; L607-W615 WeakPolarHBondContact CA-O 3.21Å; L607-V616 HydrophobicContact CB-CB 4.44Å; L607-V616 HydrophobicContact CB-CG2 4.24Å; L607-V616 HydrophobicContact CD1-CB 4.02Å; L607-V616 HydrophobicContact CD1-CG2 3.89Å; L607-V616 HydrophobicContact CG-CB 4.32Å; L607-V616 HydrophobicContact CG-CG2 4.42Å; L607-A651 HydrophobicContact CD1-CB 4.32Å; L607-A651 HydrophobicContact CD2-CB 3.45Å; L607-A651 VanDerWaalsContact CD2-CB 3.45Å; L607-I653 HydrophobicContact CB-CG2 3.96Å; L607-I653 HydrophobicContact CD2-CG2 3.85Å; L607-I653 HydrophobicContact CG-CG2 4.49Å; L607-L669 HydrophobicContact CD2-CD1 4.44Å; L607-V696 HydrophobicContact CB-CG1 3.71Å; L607-V696 HydrophobicContact CB-CG2 3.92Å; L607-V696 HydrophobicContact CD1-CG1 3.44Å; L607-V696 VanDerWaalsContact CD1-CG1 3.44Å; L607-V696 HydrophobicContact CG-CG1 4.11Å; L607-V698 HydrophobicContact CD1-CG2 3.45Å; L607-V698 VanDerWaalsContact CD1-CG2 3.45Å
608	L	78.3	Confident	76.9	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.5	169.3	-173.4	68.4	0	0	0	109.7	I595 Q610 S614 W615	I595-L608 HydrophobicContact CB-CD1 4.46Å; I595-L608 HydrophobicContact CD1-CD1 3.66Å; I595-L608 HydrophobicContact CG1-CD1 4.24Å; L608-Q610 HydrophobicContact CD2-CG 4.08Å; L608-Q610 HydrophobicContact CG-CG 4.09Å; L608-S614 WeakPolarHBondContact O-CA 3.25Å; L608-W615 HydrophobicContact CB-CD2 4.03Å; L608-W615 HydrophobicContact CB-CG 4.44Å; L608-W615 HydrophobicContact CB-CH2 4.38Å; L608-W615 HydrophobicContact CB-CZ2 3.59Å; L608-W615 HydrophobicContact CD2-CZ2 4.27Å; L608-W615 PolarHBondContact N-O 3.02Å; L608-W615 PolarHBondContact O-N 2.81Å; L608-W615 VanDerWaalsContact O-N 3.14Å
609	V	74.4	Confident	77	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.6	170.3	-172.6	0	0	0	0	108.6	L607 M649 A651 L669 D671	L607-V609 HydrophobicContact CD2-CG2 3.46Å; L607-V609 VanDerWaalsContact CD2-CG2 3.46Å; V609-M649 HydrophobicContact CB-CE 4.44Å; V609-M649 HydrophobicContact CG1-CE 3.86Å; V609-M649 HydrophobicContact CG2-CE 3.9Å; V609-A651 HydrophobicContact CG2-CB 3.66Å; V609-L669 HydrophobicContact CB-CB 4.06Å; V609-L669 HydrophobicContact CB-CD1 4.33Å; V609-L669 HydrophobicContact CG2-CB 4.08Å; V609-L669 HydrophobicContact CG2-CD1 4.21Å; V609-D671 HydrophobicContact CG1-CB 4.07Å
610	Q	73	Confident	76.5	Confident	88 Å²	88	51.8 Å²	51.8	41%	0.411	27%	0.273	S	S	.	.			trans	-118.9	172.7	165.2	-50.8	-177	-25.4	0	0	109.2	L608 T612 E613	L608-Q610 HydrophobicContact CD2-CG 4.08Å; L608-Q610 HydrophobicContact CG-CG 4.09Å; Q610-T612 VanDerWaalsContact C-N 3.27Å; Q610-T612 PolarHBondContact O-N 3.27Å; Q610-E613 WeakPolarHBondContact CA-O 3.33Å; Q610-E613 VanDerWaalsContact CB-O 3.23Å; Q610-E613 WeakPolarHBondContact CB-O 3.41Å; Q610-E613 PolarHBondContact N-O 3.15Å
611	A	64.7	Low	76.3	Confident	78 Å²	78	55.5 Å²	55.5	65%	0.645	29%	0.285	S	S	*	.	S	Bend	trans	-58.3	-32.9	-172.6	0	0	0	0	0	114.6
612	T	60.2	Low	76.1	Confident	108 Å²	108	55.5 Å²	55.5	66%	0.663	28%	0.283	S	S	*	.	S	Bend	trans	-129.6	-18.6	-178.2	55.7	0	0	0	0	114.1	Q610 T644	Q610-T612 VanDerWaalsContact C-N 3.27Å; Q610-T612 PolarHBondContact O-N 3.27Å; T612-T644 WeakPolarHBondContact O-CA 3.35Å
613	E	71.3	Confident	76.1	Confident	87 Å²	87	53.9 Å²	53.9	41%	0.407	28%	0.275	S	S	.	.			trans	-124.9	128.3	-177	-169.4	177.3	169.6	0	0	108.7	Q610 T642	Q610-E613 WeakPolarHBondContact CA-O 3.33Å; Q610-E613 VanDerWaalsContact CB-O 3.23Å; Q610-E613 WeakPolarHBondContact CB-O 3.41Å; Q610-E613 PolarHBondContact N-O 3.15Å; E613-T642 HydrophobicContact CG-CG2 3.64Å; E613-T642 WeakPolarHBondContact OE1-CG2 3.46Å
614	S	81.7	Confident	75.8	Confident	18 Å²	18	49.3 Å²	49.3	13%	0.126	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.5	174	60.6	0	0	0	0	108.6	L608 T642 L643	L608-S614 WeakPolarHBondContact O-CA 3.25Å; S614-T642 CarbonylContact O-C 3.48Å; S614-T642 WeakPolarHBondContact O-CA 3.38Å; S614-L643 PolarHBondContact N-O 3.1Å; S614-L643 PolarHBondContact O-N 3.41Å; S614-L643 PolarHBondContact OG-O 2.84Å; S614-L643 VanDerWaalsContact OG-O 3.1Å
615	W	84.2	Confident	75.3	Confident	16 Å²	16	54.5 Å²	54.5	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.5	169.6	60.9	-102.5	0	0	0	110.5	I605 L607 L608 S641	I605-W615 HydrophobicContact CB-CH2 3.86Å; I605-W615 HydrophobicContact CG2-CH2 3.5Å; I605-W615 VanDerWaalsContact CG2-CH2 3.5Å; I605-W615 HydrophobicContact CG2-CZ2 4.1Å; I605-W615 HydrophobicContact CG2-CZ3 4.21Å; I605-W615 VanDerWaalsContact O-CH2 3.32Å; I605-W615 WeakPolarHBondContact O-CH2 3.29Å; I605-W615 WeakPolarHBondContact O-CZ3 3.29Å; L607-W615 VanDerWaalsContact CA-O 3.31Å; L607-W615 WeakPolarHBondContact CA-O 3.21Å; L608-W615 HydrophobicContact CB-CD2 4.03Å; L608-W615 HydrophobicContact CB-CG 4.44Å; L608-W615 HydrophobicContact CB-CH2 4.38Å; L608-W615 HydrophobicContact CB-CZ2 3.59Å; L608-W615 HydrophobicContact CD2-CZ2 4.27Å; L608-W615 PolarHBondContact N-O 3.02Å; L608-W615 PolarHBondContact O-N 2.81Å; L608-W615 VanDerWaalsContact O-N 3.14Å; W615-S641 CarbonylContact C-O 3.56Å; W615-S641 WeakPolarHBondContact CA-O 3.16Å
616	V	86.3	Confident	74	Confident	23 Å²	23	57.2 Å²	57.2	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.5	179.2	61.2	0	0	0	0	109.8	D606 L607 R640 S641 L707	D606-V616 CarbonylContact O-C 3.54Å; D606-V616 WeakPolarHBondContact O-CA 3.4Å; L607-V616 HydrophobicContact CB-CB 4.44Å; L607-V616 HydrophobicContact CB-CG2 4.24Å; L607-V616 HydrophobicContact CD1-CB 4.02Å; L607-V616 HydrophobicContact CD1-CG2 3.89Å; L607-V616 HydrophobicContact CG-CB 4.32Å; L607-V616 HydrophobicContact CG-CG2 4.42Å; V616-R640 WeakPolarHBondContact O-CA 3.46Å; V616-S641 PolarHBondContact N-O 2.94Å; V616-S641 PolarHBondContact O-N 3.09Å; V616-L707 HydrophobicContact CG2-CD1 3.48Å; V616-L707 VanDerWaalsContact CG2-CD1 3.48Å
617	K	83.3	Confident	72.7	Confident	27 Å²	27	58.6 Å²	58.6	12%	0.117	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.5	166.8	-65	177.9	-167	151.7	0	108.6	D602 K603 I605 D606 A637 T639 V709	D602-K617 WeakPolarHBondContact O-CE 3.46Å; D602-K617 PolarHBondContact O-NZ 2.78Å; K603-K617 PolarHBondContact O-NZ 2.86Å; I605-K617 WeakPolarHBondContact O-CE 3.46Å; I605-K617 PolarHBondContact O-NZ 3.01Å; D606-K617 HydrophobicContact CB-CB 4.4Å; D606-K617 PolarHBondContact O-N 2.91Å; D606-K617 WeakPolarHBondContact OD1-CD 3.05Å; D606-K617 IonicContact OD1-NZ 2.74Å; K617-A637 HydrophobicContact CB-CB 4.03Å; K617-A637 HydrophobicContact CD-CB 3.89Å; K617-A637 HydrophobicContact CG-CB 4.32Å; K617-T639 CarbonylContact C-O 3.55Å; K617-T639 VanDerWaalsContact CA-O 3.31Å; K617-T639 WeakPolarHBondContact CA-O 3.33Å; K617-V709 HydrophobicContact CB-CG2 3.76Å
618	T	82.3	Confident	71.3	Confident	40 Å²	40	63.6 Å²	63.6	25%	0.245	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.4	174.8	55.9	0	0	0	0	110.3	E638 T639 L707	T618-E638 PolarHBondContact O-N 3.43Å; T618-T639 PolarHBondContact N-O 3.08Å; T618-T639 PolarHBondContact O-N 2.73Å; T618-T639 PolarHBondContact OG1-O 3.27Å; T618-L707 HydrophobicContact CG2-CD1 4.36Å
619	P	83.8	Confident	70.2	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.078	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	157.5	177.9	30.5	-31.4	0	0	0	111.6	R621 D634 A636 R708 V709	P619-R621 VanDerWaalsContact C-N 3.27Å; P619-R621 PolarHBondContact O-N 2.9Å; P619-D634 VanDerWaalsContact CB-O 3.29Å; P619-D634 WeakPolarHBondContact CB-O 3.4Å; P619-A636 WeakPolarHBondContact CA-O 3.35Å; P619-R708 WeakPolarHBondContact CB-O 3.38Å; P619-R708 WeakPolarHBondContact CG-O 3.36Å; P619-V709 HydrophobicContact CB-CB 4.34Å; P619-V709 HydrophobicContact CG-CB 4.46Å
620	M	75.6	Confident	69.6	Low	100 Å²	100	64.6 Å²	64.6	49%	0.493	35%	0.353	S	S	.	.	S	Bend	trans	-61.4	-34.4	175.9	-172.8	174.8	64.3	0	0	112.7	S633 A636 E638	M620-S633 WeakPolarHBondContact CE-O 3.42Å; M620-A636 PolarHBondContact N-O 3.3Å; M620-E638 WeakPolarHBondContact CA-OE2 3.36Å; M620-E638 HydrophobicContact CB-CB 4.17Å
621	R	76.3	Confident	69.5	Low	150 Å²	150	65.1 Å²	65.1	57%	0.566	36%	0.358	S	S	*	.	S	Bend	trans	-139.5	117.4	174.3	-173.4	-175.2	-68.1	158	-5.2	111.2	P619 T623 D634	P619-R621 VanDerWaalsContact C-N 3.27Å; P619-R621 PolarHBondContact O-N 2.9Å; R621-T623 HydrophobicContact CG-CG2 4.37Å; R621-D634 HydrophobicContact CB-CB 4.09Å; R621-D634 IonicContact CZ-OD1 3.24Å; R621-D634 PolarHBondContact N-O 3.44Å; R621-D634 IonicContact NE-OD1 2.88Å; R621-D634 IonicContact NH1-OD1 2.74Å; R621-D634 PolarHBondContact NH1-OD1 2.94Å; R621-D634 IonicContact NH1-OD2 2.72Å; R621-D634 PolarHBondContact NH1-OD2 3.36Å
622	Q	71.3	Confident	69.9	Low	71 Å²	71	68.1 Å²	68.1	33%	0.332	36%	0.359	S	S	.	.			trans	-83.7	118.5	173.9	-172.4	60.5	14.7	0	0	110.9	S706	Q622-S706 PolarHBondContact NE2-O 2.98Å
623	T	66.9	Low	70.6	Confident	37 Å²	37	65.4 Å²	65.4	23%	0.227	35%	0.345	C	S	.	.			trans	-110.8	118.5	174.5	50.8	0	0	0	0	110.8	R621	R621-T623 HydrophobicContact CG-CG2 4.37Å
624	P	63.1	Low	71	Confident	74 Å²	74	62.2 Å²	62.2	48%	0.481	33%	0.33	S	S	.	.	S	Bend	trans	-75	-27.2	177.6	25.7	-30.4	0	0	0	112.8
625	F	61.9	Low	70.9	Confident	170 Å²	170	62.6 Å²	62.6	75%	0.746	33%	0.329	S	S	*	.	S	Bend	trans	-99.7	121.6	176.5	-58.2	-73.4	0	0	0	109.3	G627	F625-G627 PolarHBondContact O-N 2.76Å; F625-G627 VanDerWaalsContact O-N 3.16Å
626	P	53.7	Low	70.8	Confident	60 Å²	60	64.2 Å²	64.2	39%	0.39	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-62.5	120.5	172.7	24.6	-30.1	0	0	0	109.1
627	G	52.6	Low	70.6	Confident	42 Å²	42	65.8 Å²	65.8	43%	0.433	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-59.3	153.2	142.7	0	0	0	0	0	108.4	F625 V629	F625-G627 PolarHBondContact O-N 2.76Å; F625-G627 VanDerWaalsContact O-N 3.16Å; G627-V629 PolarHBondContact O-N 2.89Å
628	I	52.6	Low	70.6	Confident	110 Å²	110	70.5 Å²	70.5	56%	0.564	38%	0.383	S	S	*	.	S	Bend	trans	-50.8	-34	-175.4	-60.8	164.9	0	0	0	111.7	M393	M393-I628 HydrophobicContact CE-CB 4.41Å; M393-I628 HydrophobicContact CE-CD1 4.27Å; M393-I628 HydrophobicContact CE-CG2 3.41Å; M393-I628 VanDerWaalsContact CE-CG2 3.41Å; M393-I628 HydrophobicContact CG-CG2 4.25Å; M393-I628 HydrophobicContact SD-CG2 3.58Å; M393-I628 VanDerWaalsContact SD-CG2 3.58Å
629	V	55.3	Low	70.6	Confident	28 Å²	28	71.7 Å²	71.7	17%	0.17	39%	0.39	C	S	.	.	S	Bend	trans	-136.5	124.2	161.3	-166.6	0	0	0	0	107	G627 Y726 N730	G627-V629 PolarHBondContact O-N 2.89Å; V629-Y726 HydrophobicContact CG2-CE2 4.01Å; V629-Y726 VanDerWaalsContact CG2-OH 3.32Å; V629-Y726 WeakPolarHBondContact CG2-OH 3.43Å; V629-N730 WeakPolarHBondContact CB-ND2 3.46Å
630	P	62.4	Low	70.6	Confident	18 Å²	18	76.8 Å²	76.8	12%	0.117	41%	0.408	C	S	.	.			trans	-66.2	139.5	173.3	-12.1	24.8	0	0	0	110.1	R635 R708	P630-R635 HydrophobicContact CB-CG 3.97Å; P630-R635 PolarHBondContact O-NE 2.87Å; P630-R708 VanDerWaalsContact CG-CD 3.41Å
631	D	69.5	Low	71	Confident	99 Å²	99	74.1 Å²	74.1	53%	0.529	40%	0.399	S	S	.	.			trans	-54.7	141.5	175.5	-154.6	-26.9	0	0	0	110.3	S633 D634 R635	D631-S633 VanDerWaalsContact C-N 3.27Å; D631-S633 PolarHBondContact O-N 3.26Å; D631-S633 PolarHBondContact OD1-N 2.77Å; D631-D634 HydrophobicContact CB-CB 4.18Å; D631-D634 PolarHBondContact O-N 2.85Å; D631-R635 PolarHBondContact O-N 3.14Å; D631-R635 PolarHBondContact O-NE 3.16Å
632	E	73.3	Confident	71.3	Confident	141 Å²	141	70.7 Å²	70.7	66%	0.659	40%	0.395	S	S	*	.	H	α-helix	trans	-63.1	-38.9	178.1	-170.9	178.2	166.2	0	0	110.5	D634 R635 A636	E632-D634 VanDerWaalsContact C-N 3.32Å; E632-D634 PolarHBondContact O-N 2.99Å; E632-R635 PolarHBondContact O-N 2.77Å; E632-A636 PolarHBondContact O-N 3.27Å; E632-A636 VanDerWaalsContact O-N 3.08Å
633	S	76	Confident	71.7	Confident	51 Å²	51	71.7 Å²	71.7	36%	0.357	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-40.7	176.4	63	0	0	0	0	112.1	M620 D631 R635 A636	M620-S633 WeakPolarHBondContact CE-O 3.42Å; D631-S633 VanDerWaalsContact C-N 3.27Å; D631-S633 PolarHBondContact O-N 3.26Å; D631-S633 PolarHBondContact OD1-N 2.77Å; S633-R635 PolarHBondContact O-N 2.66Å; S633-A636 WeakPolarHBondContact O-CB 3.4Å; S633-A636 PolarHBondContact O-N 2.93Å
634	D	78.9	Confident	72.4	Confident	20 Å²	20	75.5 Å²	75.5	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-31.4	-177.7	-78	-3.5	0	0	0	111.4	P619 R621 D631 E632	P619-D634 VanDerWaalsContact CB-O 3.29Å; P619-D634 WeakPolarHBondContact CB-O 3.4Å; R621-D634 HydrophobicContact CB-CB 4.09Å; R621-D634 IonicContact CZ-OD1 3.24Å; R621-D634 PolarHBondContact N-O 3.44Å; R621-D634 IonicContact NE-OD1 2.88Å; R621-D634 IonicContact NH1-OD1 2.74Å; R621-D634 PolarHBondContact NH1-OD1 2.94Å; R621-D634 IonicContact NH1-OD2 2.72Å; R621-D634 PolarHBondContact NH1-OD2 3.36Å; D631-D634 HydrophobicContact CB-CB 4.18Å; D631-D634 PolarHBondContact O-N 2.85Å; E632-D634 VanDerWaalsContact C-N 3.32Å; E632-D634 PolarHBondContact O-N 2.99Å
635	R	79.3	Confident	73.2	Confident	26 Å²	26	75.7 Å²	75.7	10%	0.098	43%	0.429	C	S	.	.	H	α-helix	trans	-88.7	-15.3	-180	-66	-177.6	-71.9	127.3	-4.2	114.6	P630 D631 E632 S633 A637 R708 G710	P630-R635 HydrophobicContact CB-CG 3.97Å; P630-R635 PolarHBondContact O-NE 2.87Å; D631-R635 PolarHBondContact O-N 3.14Å; D631-R635 PolarHBondContact O-NE 3.16Å; E632-R635 PolarHBondContact O-N 2.77Å; S633-R635 PolarHBondContact O-N 2.66Å; R635-A637 PolarHBondContact O-N 3.33Å; R635-R708 HydrophobicContact CG-CG 4.14Å; R635-G710 PolarHBondContact NH1-O 2.92Å; R635-G710 PolarHBondContact O-N 3.4Å
636	A	82.9	Confident	73.9	Confident	50 Å²	50	73.8 Å²	73.8	41%	0.413	44%	0.436	S	S	.	.	S	Bend	trans	-55.3	131	-178.9	0	0	0	0	0	109.8	P619 M620 E632 S633 E638	P619-A636 WeakPolarHBondContact CA-O 3.35Å; M620-A636 PolarHBondContact N-O 3.3Å; E632-A636 PolarHBondContact O-N 3.27Å; E632-A636 VanDerWaalsContact O-N 3.08Å; S633-A636 WeakPolarHBondContact O-CB 3.4Å; S633-A636 PolarHBondContact O-N 2.93Å; A636-E638 PolarHBondContact O-N 2.82Å
637	A	81.2	Confident	75.4	Confident	55 Å²	55	72.8 Å²	72.8	46%	0.455	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	109.7	176.3	0	0	0	0	0	109.1	K617 R635 V709	K617-A637 HydrophobicContact CB-CB 4.03Å; K617-A637 HydrophobicContact CD-CB 3.89Å; K617-A637 HydrophobicContact CG-CB 4.32Å; R635-A637 PolarHBondContact O-N 3.33Å; A637-V709 HydrophobicContact CB-CG2 3.98Å
638	E	83.7	Confident	77.1	Confident	127 Å²	127	71.8 Å²	71.8	59%	0.593	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-44.4	179.7	-178	-177.4	-152	0	0	110.6	T618 M620 A636	T618-E638 PolarHBondContact O-N 3.43Å; M620-E638 WeakPolarHBondContact CA-OE2 3.36Å; M620-E638 HydrophobicContact CB-CB 4.17Å; A636-E638 PolarHBondContact O-N 2.82Å
639	T	82.1	Confident	78.9	Confident	64 Å²	64	68 Å²	68	39%	0.393	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.6	-173.6	-59	0	0	0	0	110.7	K617 T618	K617-T639 CarbonylContact C-O 3.55Å; K617-T639 VanDerWaalsContact CA-O 3.31Å; K617-T639 WeakPolarHBondContact CA-O 3.33Å; T618-T639 PolarHBondContact N-O 3.08Å; T618-T639 PolarHBondContact O-N 2.73Å; T618-T639 PolarHBondContact OG1-O 3.27Å
640	R	84.7	Confident	80.8	Confident	120 Å²	120	66.7 Å²	66.7	45%	0.453	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.4	163.4	-177.8	-178.8	-177.9	164.8	6	108.1	D602 V616	D602-R640 IonicContact OD1-NH2 2.98Å; D602-R640 IonicContact OD2-CZ 3.3Å; D602-R640 IonicContact OD2-NH1 3.75Å; D602-R640 PolarHBondContact OD2-NH1 2.84Å; D602-R640 IonicContact OD2-NH2 2.9Å; D602-R640 PolarHBondContact OD2-NH2 3.46Å; D602-R640 VanDerWaalsContact OD2-NH2 3.16Å; V616-R640 WeakPolarHBondContact O-CA 3.46Å
641	S	83	Confident	82.3	Confident	44 Å²	44	65.8 Å²	65.8	31%	0.308	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.8	174.6	-60.7	0	0	0	0	109.4	W615 V616	W615-S641 CarbonylContact C-O 3.56Å; W615-S641 WeakPolarHBondContact CA-O 3.16Å; V616-S641 PolarHBondContact N-O 2.94Å; V616-S641 PolarHBondContact O-N 3.09Å
642	T	82	Confident	83.6	Confident	77 Å²	77	61.1 Å²	61.1	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	169.5	-60.2	0	0	0	0	108.2	E613 S614	E613-T642 HydrophobicContact CG-CG2 3.64Å; E613-T642 WeakPolarHBondContact OE1-CG2 3.46Å; S614-T642 CarbonylContact O-C 3.48Å; S614-T642 WeakPolarHBondContact O-CA 3.38Å
643	L	81	Confident	84.6	Confident	92 Å²	92	54.6 Å²	54.6	48%	0.482	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.2	-178.5	-62.9	100.2	0	0	0	110.4	S614	S614-L643 PolarHBondContact N-O 3.1Å; S614-L643 PolarHBondContact O-N 3.41Å; S614-L643 PolarHBondContact OG-O 2.84Å; S614-L643 VanDerWaalsContact OG-O 3.1Å
644	T	81.4	Confident	85.4	Confident	117 Å²	117	52.4 Å²	52.4	72%	0.718	32%	0.322	S	S	*	.			trans	-104.6	119.2	166	55.9	0	0	0	0	108.6	T612	T612-T644 WeakPolarHBondContact O-CA 3.35Å
645	S	78.7	Confident	86.2	Confident	79 Å²	79	51.8 Å²	51.8	55%	0.552	32%	0.318	S	S	*	.			trans	-143	147.9	-179.1	177.9	0	0	0	0	109.4	G647	S645-G647 PolarHBondContact OG-N 3.47Å
646	S	77.7	Confident	86.9	Confident	129 Å²	129	52.6 Å²	52.6	90%	0.902	32%	0.323	S	S	*	.			trans	-97.9	-5	173.6	62.7	0	0	0	0	113.5
647	G	84.5	Confident	87.4	Confident	40 Å²	40	50.3 Å²	50.3	41%	0.412	30%	0.304	S	S	.	.	S	Bend	trans	-76.7	135.2	178.7	0	0	0	0	0	111	S645 M649	S645-G647 PolarHBondContact OG-N 3.47Å; G647-M649 PolarHBondContact O-N 3.18Å
648	A	89.6	Confident	87.8	Confident	21 Å²	21	50.3 Å²	50.3	17%	0.174	30%	0.3	C	S	.	.			trans	-55.1	136.7	-177.4	0	0	0	0	0	111.8	D671 R674 M678	A648-D671 WeakPolarHBondContact CA-OD2 3.32Å; A648-R674 HydrophobicContact CB-CB 4.05Å; A648-R674 HydrophobicContact CB-CG 3.82Å; A648-M678 HydrophobicContact CB-CE 3.62Å; A648-M678 WeakPolarHBondContact O-CE 3.44Å
649	M	90.3	Very high	88.2	Confident	30 Å²	30	47 Å²	47	15%	0.148	28%	0.282	C	S	.	.			trans	-148.4	139.7	-178.2	-174.3	178.6	66.3	0	0	110.8	V609 G647 A670 D671 V698 R700	V609-M649 HydrophobicContact CB-CE 4.44Å; V609-M649 HydrophobicContact CG1-CE 3.86Å; V609-M649 HydrophobicContact CG2-CE 3.9Å; G647-M649 PolarHBondContact O-N 3.18Å; M649-A670 WeakPolarHBondContact O-CA 3.27Å; M649-D671 VanDerWaalsContact N-CG 3.3Å; M649-D671 PolarHBondContact N-OD1 3.19Å; M649-D671 PolarHBondContact N-OD2 3.44Å; M649-D671 PolarHBondContact O-N 3.02Å; M649-V698 HydrophobicContact CG-CG1 4Å; M649-V698 HydrophobicContact SD-CG1 3.8Å; M649-R700 HydrophobicContact CG-CG 4.27Å
650	A	94.2	Very high	88.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.8	166.1	0	0	0	0	0	111.1	L669 A670 G675 L679 I699	A650-L669 CarbonylContact C-O 3.36Å; A650-L669 WeakPolarHBondContact CA-O 3.38Å; A650-L669 WeakPolarHBondContact CB-O 3.31Å; A650-A670 HydrophobicContact CB-CB 3.94Å; A650-G675 VanDerWaalsContact CB-O 3.3Å; A650-G675 WeakPolarHBondContact CB-O 3.44Å; A650-L679 HydrophobicContact CB-CB 3.79Å; A650-L679 HydrophobicContact CB-CD1 4.46Å; A650-I699 HydrophobicContact CB-CB 4.1Å; A650-I699 HydrophobicContact CB-CD1 4.31Å; A650-I699 PolarHBondContact N-O 2.97Å; A650-I699 PolarHBondContact O-N 3.03Å
651	A	94.3	Very high	89.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.5	173.5	0	0	0	0	0	111.3	L607 V609 L669 A697	L607-A651 HydrophobicContact CD1-CB 4.32Å; L607-A651 HydrophobicContact CD2-CB 3.45Å; L607-A651 VanDerWaalsContact CD2-CB 3.45Å; V609-A651 HydrophobicContact CG2-CB 3.66Å; A651-L669 PolarHBondContact N-O 3.46Å; A651-L669 PolarHBondContact O-N 2.78Å; A651-A697 CarbonylContact C-O 3.56Å; A651-A697 WeakPolarHBondContact CA-O 3.42Å
652	V	95.8	Very high	89.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.6	163.5	-167.4	0	0	0	0	107.2	L520 F523 I666 A667 L668 L679 V696 A697 I699	L520-V652 HydrophobicContact CD1-CB 4.25Å; L520-V652 HydrophobicContact CD1-CG1 4.39Å; L520-V652 VanDerWaalsContact CD1-O 3.26Å; L520-V652 WeakPolarHBondContact CD1-O 3.44Å; L520-V652 HydrophobicContact CD2-CB 4.44Å; L520-V652 HydrophobicContact CD2-CG1 3.7Å; F523-V652 HydrophobicContact CD1-CG1 4.15Å; F523-V652 HydrophobicContact CE1-CG1 3.98Å; V652-I666 HydrophobicContact CG1-CG2 3.82Å; V652-A667 WeakPolarHBondContact CA-O 3.22Å; V652-L668 HydrophobicContact CG1-CD2 4.32Å; V652-L668 HydrophobicContact CG2-CD2 4.08Å; V652-L679 HydrophobicContact CG2-CD1 3.63Å; V652-V696 CarbonylContact O-C 3.54Å; V652-V696 WeakPolarHBondContact O-CA 3.4Å; V652-A697 HydrophobicContact CB-CB 4.4Å; V652-A697 PolarHBondContact N-O 3.24Å; V652-A697 PolarHBondContact O-N 3.47Å; V652-I699 HydrophobicContact CG2-CD1 4.27Å
653	I	94.4	Very high	90.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.2	177	63.3	166.1	0	0	0	110	I595 I605 L607 F655 I666 A667 L669 S695 V696	I595-I653 HydrophobicContact CD1-CD1 3.45Å; I595-I653 VanDerWaalsContact CD1-CD1 3.45Å; I605-I653 HydrophobicContact CG2-CD1 4.32Å; L607-I653 HydrophobicContact CB-CG2 3.96Å; L607-I653 HydrophobicContact CD2-CG2 3.85Å; L607-I653 HydrophobicContact CG-CG2 4.49Å; I653-F655 HydrophobicContact CD1-CD1 4.12Å; I653-F655 HydrophobicContact CD1-CE1 3.82Å; I653-F655 HydrophobicContact CG1-CD1 4.45Å; I653-F655 HydrophobicContact CG1-CE1 4.35Å; I653-I666 CarbonylContact O-C 3.57Å; I653-I666 VanDerWaalsContact O-CA 3.26Å; I653-I666 WeakPolarHBondContact O-CA 3.46Å; I653-A667 HydrophobicContact CD1-CB 3.97Å; I653-A667 HydrophobicContact CG1-CB 3.6Å; I653-A667 PolarHBondContact N-O 3.04Å; I653-A667 PolarHBondContact O-N 2.76Å; I653-L669 HydrophobicContact CD1-CD1 4Å; I653-L669 HydrophobicContact CG1-CD1 4.22Å; I653-S695 CarbonylContact C-O 3.58Å; I653-S695 WeakPolarHBondContact CA-O 3.5Å; I653-V696 HydrophobicContact CG2-CG1 4.3Å; I653-V696 HydrophobicContact CG2-CG2 4.18Å
654	G	94.5	Very high	91	Very high	6 Å²	6	40.1 Å²	40.1	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.9	174	0	0	0	0	0	110.4	P518 V665 S695	P518-G654 VanDerWaalsContact CB-C 3.48Å; P518-G654 WeakPolarHBondContact CB-O 3.34Å; P518-G654 VanDerWaalsContact CG-O 3.3Å; P518-G654 WeakPolarHBondContact CG-O 3.37Å; G654-V665 WeakPolarHBondContact CA-O 3.45Å; G654-S695 PolarHBondContact N-O 3.05Å
655	F	94.2	Very high	91.7	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.6	175.1	58.9	-84.9	0	0	0	110.9	I605 I653 V665 Y713	I605-F655 HydrophobicContact CG1-CD1 4.46Å; I605-F655 HydrophobicContact CG1-CE1 4.32Å; I605-F655 HydrophobicContact CG1-CZ 4.38Å; I653-F655 HydrophobicContact CD1-CD1 4.12Å; I653-F655 HydrophobicContact CD1-CE1 3.82Å; I653-F655 HydrophobicContact CG1-CD1 4.45Å; I653-F655 HydrophobicContact CG1-CE1 4.35Å; F655-V665 HydrophobicContact CD1-CB 4.24Å; F655-V665 HydrophobicContact CD2-CB 4.02Å; F655-V665 HydrophobicContact CD2-CG2 4.2Å; F655-V665 HydrophobicContact CE1-CB 3.87Å; F655-V665 HydrophobicContact CE1-CG1 3.73Å; F655-V665 HydrophobicContact CE2-CB 3.63Å; F655-V665 HydrophobicContact CE2-CG1 3.98Å; F655-V665 HydrophobicContact CE2-CG2 3.71Å; F655-V665 HydrophobicContact CG-CB 4.31Å; F655-V665 HydrophobicContact CZ-CB 3.55Å; F655-V665 HydrophobicContact CZ-CG1 3.41Å; F655-V665 VanDerWaalsContact CZ-CG1 3.41Å; F655-V665 HydrophobicContact CZ-CG2 4.06Å; F655-V665 PolarHBondContact N-O 3.27Å; F655-V665 PolarHBondContact O-N 2.92Å; F655-Y713 PolarHBondContact O-OH 2.84Å
656	Q	94.2	Very high	92.5	Very high	44 Å²	44	30.9 Å²	30.9	21%	0.206	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.7	-178.8	-161.9	173.3	19.2	0	0	110.9	P658 D661 Y713	Q656-P658 WeakPolarHBondContact O-CD 3.39Å; Q656-D661 VanDerWaalsContact NE2-CA 3.3Å; Q656-D661 PolarHBondContact NE2-O 3.32Å; Q656-Y713 HydrophobicContact CB-CD1 3.55Å; Q656-Y713 HydrophobicContact CB-CD2 4.06Å; Q656-Y713 HydrophobicContact CB-CE1 3.59Å; Q656-Y713 HydrophobicContact CB-CE2 4.1Å; Q656-Y713 HydrophobicContact CB-CG 3.79Å; Q656-Y713 VanDerWaalsContact CD-CB 3.49Å; Q656-Y713 HydrophobicContact CG-CD1 4.01Å; Q656-Y713 HydrophobicContact CG-CD2 3.63Å; Q656-Y713 HydrophobicContact CG-CE1 4.27Å; Q656-Y713 HydrophobicContact CG-CE2 3.91Å; Q656-Y713 HydrophobicContact CG-CG 3.68Å; Q656-Y713 VanDerWaalsContact N-CE1 3.27Å
657	S	92.9	Very high	93.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.139	C	C	.	.			trans	-66.3	125.4	170.1	179.7	0	0	0	0	110.2	Y659 N660 R663	S657-Y659 PolarHBondContact O-N 3.14Å; S657-Y659 VanDerWaalsContact O-N 3.12Å; S657-Y659 PolarHBondContact OG-N 3.34Å; S657-N660 CarbonylContact O-C 3.46Å; S657-N660 PolarHBondContact O-N 3.39Å; S657-R663 WeakPolarHBondContact CB-O 3.06Å; S657-R663 PolarHBondContact N-O 3.43Å
658	P	91.4	Very high	94	Very high	56 Å²	56	22.9 Å²	22.9	36%	0.364	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7	175.4	29.2	-35	0	0	0	112.8	L599 Q656	L599-P658 HydrophobicContact CD2-CG 3.44Å; L599-P658 VanDerWaalsContact CD2-CG 3.44Å; Q656-P658 WeakPolarHBondContact O-CD 3.39Å
659	Y	91.4	Very high	94.2	Very high	58 Å²	58	22 Å²	22	23%	0.227	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-16.9	-179.3	-50.3	-47	0	0	0	113.1	I582 Q583 I589 L599 S657	I582-Y659 HydrophobicContact CD1-CE2 4.32Å; I582-Y659 HydrophobicContact CG1-CE2 4.12Å; I582-Y659 VanDerWaalsContact O-CD2 3.29Å; I582-Y659 WeakPolarHBondContact O-CD2 3.41Å; Q583-Y659 HydrophobicContact CB-CE1 4.5Å; Q583-Y659 HydrophobicContact CG-CE1 4.33Å; I589-Y659 HydrophobicContact CD1-CD2 4.32Å; L599-Y659 HydrophobicContact CD2-CE2 3.81Å; S657-Y659 PolarHBondContact O-N 3.14Å; S657-Y659 VanDerWaalsContact O-N 3.12Å; S657-Y659 PolarHBondContact OG-N 3.34Å
660	N	92.8	Very high	94.4	Very high	40 Å²	40	21.4 Å²	21.4	21%	0.214	11%	0.112	C	C	.	.			trans	-159.8	123.8	-179.6	-172.9	-52.5	0	0	0	111.4	D586 S657 Q662 R663	D586-N660 PolarHBondContact OD1-ND2 3.46Å; S657-N660 CarbonylContact O-C 3.46Å; S657-N660 PolarHBondContact O-N 3.39Å; N660-Q662 PolarHBondContact O-N 3.29Å; N660-Q662 VanDerWaalsContact O-N 3.13Å; N660-Q662 WeakPolarHBondContact OD1-CA 3.47Å; N660-Q662 WeakPolarHBondContact OD1-CB 3.12Å; N660-Q662 PolarHBondContact OD1-N 3.18Å; N660-R663 HydrophobicContact CB-CB 4.08Å; N660-R663 HydrophobicContact CB-CG 3.67Å; N660-R663 PolarHBondContact O-N 2.92Å
661	D	92.2	Very high	94.2	Very high	114 Å²	114	23.2 Å²	23.2	61%	0.61	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.8	-174.8	-60.3	-21.4	0	0	0	114.5	Q656	Q656-D661 VanDerWaalsContact NE2-CA 3.3Å; Q656-D661 PolarHBondContact NE2-O 3.32Å
662	Q	94.5	Very high	93.9	Very high	79 Å²	79	24.7 Å²	24.7	37%	0.369	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	7.4	177.4	-67.8	-61	-70.1	0	0	113.3	N660 Y714 G716	N660-Q662 PolarHBondContact O-N 3.29Å; N660-Q662 VanDerWaalsContact O-N 3.13Å; N660-Q662 WeakPolarHBondContact OD1-CA 3.47Å; N660-Q662 WeakPolarHBondContact OD1-CB 3.12Å; N660-Q662 PolarHBondContact OD1-N 3.18Å; Q662-Y714 PolarHBondContact NE2-O 2.84Å; Q662-G716 PolarHBondContact OE1-O 2.7Å
663	R	95.5	Very high	93.6	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.068	16%	0.155	C	C	.	.			trans	-117.7	149.2	-178.1	-58	-59.3	178.7	172.1	-0.1	111.9	Q538 D586 A587 D588 S657 N660	Q538-R663 VanDerWaalsContact OE1-CZ 3.25Å; D586-R663 IonicContact OD1-CZ 3.77Å; D586-R663 VanDerWaalsContact OD1-CZ 3.24Å; D586-R663 IonicContact OD1-NE 2.76Å; D586-R663 PolarHBondContact OD1-NE 2.94Å; D586-R663 IonicContact OD1-NH2 3.77Å; D586-R663 PolarHBondContact OD1-NH2 2.76Å; D586-R663 IonicContact OD2-NH2 3.97Å; D586-R663 PolarHBondContact OD2-NH2 3.03Å; A587-R663 WeakPolarHBondContact O-CB 3.49Å; D588-R663 WeakPolarHBondContact OD1-CA 3.49Å; D588-R663 IonicContact OD2-NH1 3.78Å; D588-R663 PolarHBondContact OD2-NH1 2.82Å; S657-R663 WeakPolarHBondContact CB-O 3.06Å; S657-R663 PolarHBondContact N-O 3.43Å; N660-R663 HydrophobicContact CB-CB 4.08Å; N660-R663 HydrophobicContact CB-CG 3.67Å; N660-R663 PolarHBondContact O-N 2.92Å
664	S	96.3	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.6	179.1	-41.8	0	0	0	0	110.9	D588 I589 Y713	D588-S664 WeakPolarHBondContact CA-O 3.42Å; D588-S664 PolarHBondContact OD1-N 3.05Å; I589-S664 PolarHBondContact N-O 2.65Å; S664-Y713 WeakPolarHBondContact CB-OH 3.32Å; S664-Y713 PolarHBondContact OG-OH 3.29Å; S664-Y713 VanDerWaalsContact OG-OH 3.07Å
665	V	95.7	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128	165.2	-172.3	0	0	0	0	107.7	I589 I591 G654 F655	I589-V665 HydrophobicContact CB-CG1 4.24Å; I589-V665 HydrophobicContact CB-CG2 4.17Å; I589-V665 HydrophobicContact CD1-CG2 4.28Å; I589-V665 HydrophobicContact CG2-CG1 4.33Å; I589-V665 CarbonylContact O-C 3.48Å; I589-V665 VanDerWaalsContact O-CA 3.28Å; I589-V665 WeakPolarHBondContact O-CA 3.31Å; I591-V665 HydrophobicContact CD1-CG1 3.56Å; I591-V665 HydrophobicContact CG1-CG1 4.12Å; G654-V665 WeakPolarHBondContact CA-O 3.45Å; F655-V665 HydrophobicContact CD1-CB 4.24Å; F655-V665 HydrophobicContact CD2-CB 4.02Å; F655-V665 HydrophobicContact CD2-CG2 4.2Å; F655-V665 HydrophobicContact CE1-CB 3.87Å; F655-V665 HydrophobicContact CE1-CG1 3.73Å; F655-V665 HydrophobicContact CE2-CB 3.63Å; F655-V665 HydrophobicContact CE2-CG1 3.98Å; F655-V665 HydrophobicContact CE2-CG2 3.71Å; F655-V665 HydrophobicContact CG-CB 4.31Å; F655-V665 HydrophobicContact CZ-CB 3.55Å; F655-V665 HydrophobicContact CZ-CG1 3.41Å; F655-V665 VanDerWaalsContact CZ-CG1 3.41Å; F655-V665 HydrophobicContact CZ-CG2 4.06Å; F655-V665 PolarHBondContact N-O 3.27Å; F655-V665 PolarHBondContact O-N 2.92Å
666	I	96.7	Very high	93.5	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.9	169.5	-56.6	-174.3	0	0	0	108.1	L520 F523 F530 I589 M590 I591 V652 I653	L520-I666 HydrophobicContact CD2-CG2 4.46Å; F523-I666 HydrophobicContact CB-CD1 3.63Å; F523-I666 HydrophobicContact CD1-CG2 4.3Å; F523-I666 HydrophobicContact CD2-CD1 3.55Å; F523-I666 HydrophobicContact CD2-CG2 4.26Å; F523-I666 HydrophobicContact CE1-CG2 4.32Å; F523-I666 HydrophobicContact CE2-CD1 4.39Å; F523-I666 HydrophobicContact CE2-CG2 4.27Å; F523-I666 HydrophobicContact CG-CD1 3.68Å; F523-I666 HydrophobicContact CG-CG2 4.27Å; F523-I666 HydrophobicContact CZ-CG2 4.31Å; F530-I666 HydrophobicContact CE2-CB 3.86Å; F530-I666 HydrophobicContact CE2-CD1 3.78Å; F530-I666 HydrophobicContact CE2-CG1 4.06Å; F530-I666 HydrophobicContact CZ-CB 3.81Å; F530-I666 HydrophobicContact CZ-CD1 4.19Å; F530-I666 HydrophobicContact CZ-CG1 4.02Å; I589-I666 PolarHBondContact O-N 2.76Å; M590-I666 CarbonylContact C-O 3.43Å; M590-I666 WeakPolarHBondContact CA-O 3.37Å; I591-I666 PolarHBondContact N-O 3.15Å; V652-I666 HydrophobicContact CG1-CG2 3.82Å; I653-I666 CarbonylContact O-C 3.57Å; I653-I666 VanDerWaalsContact O-CA 3.26Å; I653-I666 WeakPolarHBondContact O-CA 3.46Å
667	A	96.3	Very high	93.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.7	178.6	0	0	0	0	0	111.5	I591 I595 V652 I653 L669	I591-A667 HydrophobicContact CB-CB 3.78Å; I591-A667 HydrophobicContact CD1-CB 4.36Å; I591-A667 HydrophobicContact CG2-CB 4.3Å; I591-A667 CarbonylContact O-C 3.43Å; I591-A667 WeakPolarHBondContact O-CA 3.46Å; I595-A667 HydrophobicContact CG1-CB 4.26Å; V652-A667 WeakPolarHBondContact CA-O 3.22Å; I653-A667 HydrophobicContact CD1-CB 3.97Å; I653-A667 HydrophobicContact CG1-CB 3.6Å; I653-A667 PolarHBondContact N-O 3.04Å; I653-A667 PolarHBondContact O-N 2.76Å; A667-L669 HydrophobicContact CB-CD2 3.77Å; A667-L669 HydrophobicContact CB-CG 4.16Å
668	L	96.7	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97.7	179.2	-70	152.9	0	0	0	107	F523 T554 T558 M590 I591 I592 G593 V652 L679	F523-L668 HydrophobicContact CE1-CD2 4.33Å; F523-L668 HydrophobicContact CZ-CD2 4.23Å; T554-L668 HydrophobicContact CG2-CB 4.23Å; T554-L668 HydrophobicContact CG2-CD1 4.34Å; T558-L668 HydrophobicContact CG2-CD1 4.07Å; M590-L668 HydrophobicContact CG-CD1 4.01Å; M590-L668 HydrophobicContact SD-CD1 4Å; I591-L668 WeakPolarHBondContact O-CB 3.26Å; I591-L668 PolarHBondContact O-N 2.79Å; I592-L668 HydrophobicContact CD1-CD1 4.28Å; I592-L668 HydrophobicContact CG1-CB 4.07Å; I592-L668 HydrophobicContact CG1-CD1 3.77Å; G593-L668 PolarHBondContact N-O 3.46Å; G593-L668 VanDerWaalsContact N-O 3.1Å; V652-L668 HydrophobicContact CG1-CD2 4.32Å; V652-L668 HydrophobicContact CG2-CD2 4.08Å; L668-L679 HydrophobicContact CB-CD2 3.98Å; L668-L679 HydrophobicContact CD2-CD1 4.02Å; L668-L679 HydrophobicContact CD2-CD2 4.12Å; L668-L679 HydrophobicContact CD2-CG 4.37Å
669	L	94.8	Very high	93.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.2	-169.4	-48.1	178.8	0	0	0	110.3	G593 I595 L607 V609 A650 A651 I653 A667	G593-L669 WeakPolarHBondContact O-CD2 3.07Å; I595-L669 HydrophobicContact CD1-CD1 4.21Å; I595-L669 HydrophobicContact CD1-CD2 4.47Å; I595-L669 HydrophobicContact CG1-CD1 4.48Å; I595-L669 HydrophobicContact CG1-CD2 3.9Å; L607-L669 HydrophobicContact CD2-CD1 4.44Å; V609-L669 HydrophobicContact CB-CB 4.06Å; V609-L669 HydrophobicContact CB-CD1 4.33Å; V609-L669 HydrophobicContact CG2-CB 4.08Å; V609-L669 HydrophobicContact CG2-CD1 4.21Å; A650-L669 CarbonylContact C-O 3.36Å; A650-L669 WeakPolarHBondContact CA-O 3.38Å; A650-L669 WeakPolarHBondContact CB-O 3.31Å; A651-L669 PolarHBondContact N-O 3.46Å; A651-L669 PolarHBondContact O-N 2.78Å; I653-L669 HydrophobicContact CD1-CD1 4Å; I653-L669 HydrophobicContact CG1-CD1 4.22Å; A667-L669 HydrophobicContact CB-CD2 3.77Å; A667-L669 HydrophobicContact CB-CG 4.16Å
670	A	93.3	Very high	93.8	Very high	17 Å²	17	30.4 Å²	30.4	14%	0.14	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.5	165.9	0	0	0	0	0	111	M649 A650 Y676	M649-A670 WeakPolarHBondContact O-CA 3.27Å; A650-A670 HydrophobicContact CB-CB 3.94Å; A670-Y676 HydrophobicContact CB-CD1 3.88Å; A670-Y676 HydrophobicContact CB-CD2 3.7Å; A670-Y676 HydrophobicContact CB-CE1 3.91Å; A670-Y676 HydrophobicContact CB-CE2 3.71Å; A670-Y676 HydrophobicContact CB-CG 3.76Å
671	D	89.6	Confident	93.7	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.203	17%	0.165	C	C	.	.	S	Bend	trans	-81.6	-23.3	180	64	-5.6	0	0	0	113.7	V609 A648 M649	V609-D671 HydrophobicContact CG1-CB 4.07Å; A648-D671 WeakPolarHBondContact CA-OD2 3.32Å; M649-D671 VanDerWaalsContact N-CG 3.3Å; M649-D671 PolarHBondContact N-OD1 3.19Å; M649-D671 PolarHBondContact N-OD2 3.44Å; M649-D671 PolarHBondContact O-N 3.02Å
672	S	89.4	Confident	93.8	Very high	31 Å²	31	26.8 Å²	26.8	22%	0.217	14%	0.136	C	C	.	.	S	Bend	trans	-154	162.9	-167.8	62.3	0	0	0	0	111.2	R674 G675 Y676	S672-R674 PolarHBondContact O-N 3.47Å; S672-G675 WeakPolarHBondContact O-CA 3.21Å; S672-G675 PolarHBondContact O-N 3.01Å; S672-G675 PolarHBondContact OG-N 2.86Å; S672-G675 VanDerWaalsContact OG-N 3.11Å; S672-Y676 WeakPolarHBondContact O-CD2 3.41Å; S672-Y676 PolarHBondContact O-N 2.98Å; S672-Y676 VanDerWaalsContact O-N 3.14Å
673	P	89.6	Confident	93.5	Very high	74 Å²	74	23.2 Å²	23.2	48%	0.481	12%	0.119	S	C	.	.	H	α-helix	trans	-54	-40.4	171.7	-27	35.8	0	0	0	112.8	G675 Y676 E677	P673-G675 VanDerWaalsContact C-N 3.31Å; P673-G675 PolarHBondContact O-N 2.98Å; P673-Y676 WeakPolarHBondContact O-CB 3.44Å; P673-Y676 PolarHBondContact O-N 3.25Å; P673-Y676 VanDerWaalsContact O-N 3.11Å; P673-E677 PolarHBondContact O-N 3.22Å
674	R	91.3	Very high	93.1	Very high	115 Å²	115	23.8 Å²	23.8	43%	0.434	12%	0.124	S	C	.	.	H	α-helix	trans	-62.9	-36	175.1	-178	57.1	179.5	156.2	5.2	112.6	A648 S672 E677 M678	A648-R674 HydrophobicContact CB-CB 4.05Å; A648-R674 HydrophobicContact CB-CG 3.82Å; S672-R674 PolarHBondContact O-N 3.47Å; R674-E677 WeakPolarHBondContact CD-OE2 3.33Å; R674-E677 IonicContact CZ-OE2 2.8Å; R674-E677 IonicContact NE-OE2 2.73Å; R674-E677 IonicContact NH1-OE2 3.63Å; R674-E677 PolarHBondContact NH1-OE2 2.99Å; R674-E677 PolarHBondContact O-N 2.9Å; R674-M678 PolarHBondContact O-N 3.11Å; R674-M678 VanDerWaalsContact O-N 3.14Å
675	G	93	Very high	92.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-43.3	171.7	0	0	0	0	0	112.2	A650 S672 P673 M678 L679	A650-G675 VanDerWaalsContact CB-O 3.3Å; A650-G675 WeakPolarHBondContact CB-O 3.44Å; S672-G675 WeakPolarHBondContact O-CA 3.21Å; S672-G675 PolarHBondContact O-N 3.01Å; S672-G675 PolarHBondContact OG-N 2.86Å; S672-G675 VanDerWaalsContact OG-N 3.11Å; P673-G675 VanDerWaalsContact C-N 3.31Å; P673-G675 PolarHBondContact O-N 2.98Å; G675-M678 PolarHBondContact O-N 2.87Å; G675-L679 PolarHBondContact O-N 3.23Å
676	Y	94.9	Very high	92.1	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-37.4	175.2	-75.8	-71.4	0	0	0	113.1	A550 Q551 T554 I592 G593 A670 S672 P673 M678 L679 N680	A550-Y676 HydrophobicContact CB-CD2 4.36Å; A550-Y676 HydrophobicContact CB-CG 4.19Å; Q551-Y676 HydrophobicContact CG-CD1 4.41Å; Q551-Y676 HydrophobicContact CG-CD2 4.12Å; Q551-Y676 HydrophobicContact CG-CE1 3.91Å; Q551-Y676 HydrophobicContact CG-CE2 3.6Å; Q551-Y676 VanDerWaalsContact CG-CZ 3.49Å; Q551-Y676 PolarHBondContact NE2-OH 2.79Å; T554-Y676 VanDerWaalsContact OG1-CD1 3.25Å; T554-Y676 WeakPolarHBondContact OG1-CD1 3.3Å; I592-Y676 HydrophobicContact CG2-CE1 4.3Å; G593-Y676 WeakPolarHBondContact CA-OH 3.31Å; A670-Y676 HydrophobicContact CB-CD1 3.88Å; A670-Y676 HydrophobicContact CB-CD2 3.7Å; A670-Y676 HydrophobicContact CB-CE1 3.91Å; A670-Y676 HydrophobicContact CB-CE2 3.71Å; A670-Y676 HydrophobicContact CB-CG 3.76Å; S672-Y676 WeakPolarHBondContact O-CD2 3.41Å; S672-Y676 PolarHBondContact O-N 2.98Å; S672-Y676 VanDerWaalsContact O-N 3.14Å; P673-Y676 WeakPolarHBondContact O-CB 3.44Å; P673-Y676 PolarHBondContact O-N 3.25Å; P673-Y676 VanDerWaalsContact O-N 3.11Å; Y676-M678 VanDerWaalsContact C-N 3.33Å; Y676-M678 PolarHBondContact O-N 3.44Å; Y676-L679 HydrophobicContact CD1-CD2 4.11Å; Y676-L679 HydrophobicContact CE1-CD2 4.46Å; Y676-L679 WeakPolarHBondContact O-CB 3.5Å; Y676-L679 PolarHBondContact O-N 2.87Å; Y676-L679 VanDerWaalsContact O-N 3.17Å; Y676-N680 WeakPolarHBondContact O-CB 3.43Å; Y676-N680 PolarHBondContact O-N 3.4Å; Y676-N680 PolarHBondContact O-ND2 3.29Å
677	E	92.7	Very high	91.6	Very high	83 Å²	83	33.2 Å²	33.2	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-58.3	-46.7	172.5	-68.5	171.4	-171.8	0	0	111.1	P673 R674 L679 N680 D681	P673-E677 PolarHBondContact O-N 3.22Å; R674-E677 WeakPolarHBondContact CD-OE2 3.33Å; R674-E677 IonicContact CZ-OE2 2.8Å; R674-E677 IonicContact NE-OE2 2.73Å; R674-E677 IonicContact NH1-OE2 3.63Å; R674-E677 PolarHBondContact NH1-OE2 2.99Å; R674-E677 PolarHBondContact O-N 2.9Å; E677-L679 VanDerWaalsContact C-N 3.29Å; E677-L679 PolarHBondContact O-N 2.86Å; E677-N680 PolarHBondContact O-N 3.42Å; E677-D681 PolarHBondContact O-N 3.29Å
678	M	94.3	Very high	91.2	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.064	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-36.1	176.1	-68.1	-169.5	-68.2	0	0	112.5	A648 R674 G675 Y676 A682 I699 E701	A648-M678 HydrophobicContact CB-CE 3.62Å; A648-M678 WeakPolarHBondContact O-CE 3.44Å; R674-M678 PolarHBondContact O-N 3.11Å; R674-M678 VanDerWaalsContact O-N 3.14Å; G675-M678 PolarHBondContact O-N 2.87Å; Y676-M678 VanDerWaalsContact C-N 3.33Å; Y676-M678 PolarHBondContact O-N 3.44Å; M678-A682 WeakPolarHBondContact O-CB 3.4Å; M678-A682 PolarHBondContact O-N 3.05Å; M678-I699 HydrophobicContact CB-CG2 3.93Å; M678-E701 HydrophobicContact SD-CG 3.81Å
679	L	95.1	Very high	90.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-47.3	175	180	61.5	0	0	0	111.6	T554 A650 V652 L668 G675 Y676 E677 A682 V683 I699	T554-L679 HydrophobicContact CG2-CD2 3.9Å; A650-L679 HydrophobicContact CB-CB 3.79Å; A650-L679 HydrophobicContact CB-CD1 4.46Å; V652-L679 HydrophobicContact CG2-CD1 3.63Å; L668-L679 HydrophobicContact CB-CD2 3.98Å; L668-L679 HydrophobicContact CD2-CD1 4.02Å; L668-L679 HydrophobicContact CD2-CD2 4.12Å; L668-L679 HydrophobicContact CD2-CG 4.37Å; G675-L679 PolarHBondContact O-N 3.23Å; Y676-L679 HydrophobicContact CD1-CD2 4.11Å; Y676-L679 HydrophobicContact CE1-CD2 4.46Å; Y676-L679 WeakPolarHBondContact O-CB 3.5Å; Y676-L679 PolarHBondContact O-N 2.87Å; Y676-L679 VanDerWaalsContact O-N 3.17Å; E677-L679 VanDerWaalsContact C-N 3.29Å; E677-L679 PolarHBondContact O-N 2.86Å; L679-A682 WeakPolarHBondContact O-CB 3.48Å; L679-A682 PolarHBondContact O-N 3.47Å; L679-A682 VanDerWaalsContact O-N 3.15Å; L679-V683 HydrophobicContact CD1-CG2 4.33Å; L679-V683 WeakPolarHBondContact O-CG2 3.24Å; L679-V683 PolarHBondContact O-N 2.86Å; L679-I699 HydrophobicContact CB-CD1 4.48Å; L679-I699 HydrophobicContact CD1-CD1 3.43Å; L679-I699 VanDerWaalsContact CD1-CD1 3.43Å
680	N	94.2	Very high	90.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-45.9	178.2	-69.6	-18.3	0	0	0	111.1	E553 T554 Y676 E677 A682 V683 N684	E553-N680 VanDerWaalsContact CD-ND2 3.3Å; E553-N680 VanDerWaalsContact CG-ND2 3.33Å; E553-N680 WeakPolarHBondContact CG-ND2 3.47Å; E553-N680 PolarHBondContact OE1-ND2 2.8Å; T554-N680 WeakPolarHBondContact CA-OD1 3.15Å; T554-N680 PolarHBondContact OG1-OD1 2.82Å; T554-N680 VanDerWaalsContact OG1-OD1 3.07Å; Y676-N680 WeakPolarHBondContact O-CB 3.43Å; Y676-N680 PolarHBondContact O-N 3.4Å; Y676-N680 PolarHBondContact O-ND2 3.29Å; E677-N680 PolarHBondContact O-N 3.42Å; N680-A682 VanDerWaalsContact C-N 3.29Å; N680-A682 PolarHBondContact O-N 3.32Å; N680-V683 PolarHBondContact O-N 3.45Å; N680-N684 WeakPolarHBondContact O-CB 3.38Å; N680-N684 PolarHBondContact O-N 2.9Å; N680-N684 PolarHBondContact O-ND2 2.81Å
681	D	92.1	Very high	90.3	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-59.2	-41.8	174.2	-76	-13	0	0	0	111.7	E677 N684 D685	E677-D681 PolarHBondContact O-N 3.29Å; D681-N684 PolarHBondContact O-N 3.48Å; D681-D685 WeakPolarHBondContact O-CB 3.27Å; D681-D685 PolarHBondContact O-N 3.01Å
682	A	92.8	Very high	90.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-36.1	-179.6	0	0	0	0	0	113	M678 L679 N680 K688 R689 M692 I699 I704	M678-A682 WeakPolarHBondContact O-CB 3.4Å; M678-A682 PolarHBondContact O-N 3.05Å; L679-A682 WeakPolarHBondContact O-CB 3.48Å; L679-A682 PolarHBondContact O-N 3.47Å; L679-A682 VanDerWaalsContact O-N 3.15Å; N680-A682 VanDerWaalsContact C-N 3.29Å; N680-A682 PolarHBondContact O-N 3.32Å; A682-K688 HydrophobicContact CB-CB 4.46Å; A682-K688 HydrophobicContact CB-CD 4.29Å; A682-R689 WeakPolarHBondContact O-CG 3.49Å; A682-M692 HydrophobicContact CB-CE 3.45Å; A682-M692 VanDerWaalsContact CB-CE 3.45Å; A682-M692 WeakPolarHBondContact O-CE 3.26Å; A682-I699 HydrophobicContact CB-CD1 3.79Å; A682-I699 HydrophobicContact CB-CG1 4.34Å; A682-I699 HydrophobicContact CB-CG2 4.24Å; A682-I704 HydrophobicContact CB-CD1 3.69Å
683	V	89.5	Confident	90.4	Very high	3 Å²	3	41 Å²	41	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-73	-31	174.2	172.4	0	0	0	0	111.1	F561 L679 N680 R689	F561-V683 HydrophobicContact CB-CG1 4.35Å; F561-V683 HydrophobicContact CG-CG1 4.38Å; L679-V683 HydrophobicContact CD1-CG2 4.33Å; L679-V683 WeakPolarHBondContact O-CG2 3.24Å; L679-V683 PolarHBondContact O-N 2.86Å; N680-V683 PolarHBondContact O-N 3.45Å; V683-R689 WeakPolarHBondContact O-CD 3.26Å; V683-R689 PolarHBondContact O-NH1 3.36Å
684	N	86.4	Confident	90.4	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	21%	0.21	C	C	.	.	H	α-helix	trans	-87.1	-28.8	-178.2	-71.4	-28.8	0	0	0	114	Q251 N557 N680 D681 R689	Q251-N684 PolarHBondContact O-ND2 2.83Å; Q251-N684 PolarHBondContact O-OD1 3.3Å; N557-N684 PolarHBondContact ND2-ND2 3.17Å; N680-N684 WeakPolarHBondContact O-CB 3.38Å; N680-N684 PolarHBondContact O-N 2.9Å; N680-N684 PolarHBondContact O-ND2 2.81Å; D681-N684 PolarHBondContact O-N 3.48Å; N684-R689 PolarHBondContact O-NH1 3.3Å
685	D	87.8	Confident	90.4	Very high	71 Å²	71	32.2 Å²	32.2	38%	0.38	19%	0.19	S	C	.	.			trans	-85.9	118.6	-178.9	-179.7	-41.8	0	0	0	112.6	D681 G687 K688 R689	D681-D685 WeakPolarHBondContact O-CB 3.27Å; D681-D685 PolarHBondContact O-N 3.01Å; D685-G687 VanDerWaalsContact C-N 3.33Å; D685-G687 PolarHBondContact O-N 2.98Å; D685-G687 VanDerWaalsContact OD1-CA 3.32Å; D685-G687 WeakPolarHBondContact OD1-CA 3.33Å; D685-G687 PolarHBondContact OD1-N 3.09Å; D685-K688 HydrophobicContact CB-CB 3.93Å; D685-K688 HydrophobicContact CB-CD 3.91Å; D685-K688 HydrophobicContact CB-CG 3.94Å; D685-K688 PolarHBondContact O-N 3.05Å; D685-K688 PolarHBondContact OD1-N 3.45Å; D685-R689 VanDerWaalsContact O-CG 3.31Å; D685-R689 WeakPolarHBondContact O-CG 3.08Å; D685-R689 PolarHBondContact O-N 3.01Å
686	S	84	Confident	90.3	Very high	84 Å²	84	32.2 Å²	32.2	59%	0.587	19%	0.19	S	C	*	.	H	α-helix	trans	-62.9	-34.2	-178.4	58	0	0	0	0	114.2	A690	S686-A690 PolarHBondContact O-N 2.94Å; S686-A690 VanDerWaalsContact O-N 3.09Å
687	G	85.2	Confident	90.3	Very high	45 Å²	45	31.8 Å²	31.8	46%	0.464	19%	0.189	S	C	.	.	H	α-helix	trans	-68.9	-40.6	176.3	0	0	0	0	0	111.7	D685 A690	D685-G687 VanDerWaalsContact C-N 3.33Å; D685-G687 PolarHBondContact O-N 2.98Å; D685-G687 VanDerWaalsContact OD1-CA 3.32Å; D685-G687 WeakPolarHBondContact OD1-CA 3.33Å; D685-G687 PolarHBondContact OD1-N 3.09Å; G687-A690 PolarHBondContact O-N 3.01Å
688	K	89.6	Confident	90.3	Very high	77 Å²	77	28.6 Å²	28.6	34%	0.335	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-45.9	172.8	-71.2	-175.4	-171.9	174.2	0	111.4	A682 D685 A690 T691 I704	A682-K688 HydrophobicContact CB-CB 4.46Å; A682-K688 HydrophobicContact CB-CD 4.29Å; D685-K688 HydrophobicContact CB-CB 3.93Å; D685-K688 HydrophobicContact CB-CD 3.91Å; D685-K688 HydrophobicContact CB-CG 3.94Å; D685-K688 PolarHBondContact O-N 3.05Å; D685-K688 PolarHBondContact OD1-N 3.45Å; K688-A690 VanDerWaalsContact C-N 3.26Å; K688-A690 PolarHBondContact O-N 3.21Å; K688-T691 PolarHBondContact O-N 2.91Å; K688-T691 PolarHBondContact O-OG1 3.27Å; K688-I704 HydrophobicContact CB-CD1 3.66Å; K688-I704 HydrophobicContact CG-CD1 4.22Å
689	R	89.7	Confident	90.3	Very high	33 Å²	33	28.2 Å²	28.2	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-35.5	176.8	-70.9	-158.1	-56.6	-80.4	-5.2	113.6	A524 A682 V683 N684 D685 T691 M692	A524-R689 HydrophobicContact CB-CB 4.21Å; A524-R689 HydrophobicContact CB-CG 4.5Å; A524-R689 WeakPolarHBondContact O-CD 3.47Å; A524-R689 PolarHBondContact O-NE 3.3Å; A682-R689 WeakPolarHBondContact O-CG 3.49Å; V683-R689 WeakPolarHBondContact O-CD 3.26Å; V683-R689 PolarHBondContact O-NH1 3.36Å; N684-R689 PolarHBondContact O-NH1 3.3Å; D685-R689 VanDerWaalsContact O-CG 3.31Å; D685-R689 WeakPolarHBondContact O-CG 3.08Å; D685-R689 PolarHBondContact O-N 3.01Å; R689-T691 PolarHBondContact O-N 2.94Å; R689-M692 WeakPolarHBondContact O-CB 3.35Å; R689-M692 PolarHBondContact O-N 3.41Å
690	A	85.7	Confident	90.2	Very high	63 Å²	63	33.6 Å²	33.6	52%	0.521	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	176.6	0	0	0	0	0	113.6	S686 G687 K688	S686-A690 PolarHBondContact O-N 2.94Å; S686-A690 VanDerWaalsContact O-N 3.09Å; G687-A690 PolarHBondContact O-N 3.01Å; K688-A690 VanDerWaalsContact C-N 3.26Å; K688-A690 PolarHBondContact O-N 3.21Å
691	T	89.3	Confident	90	Very high	57 Å²	57	40.8 Å²	40.8	35%	0.35	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.9	176.8	69.7	0	0	0	0	114	K688 R689 F693 I704 S706	K688-T691 PolarHBondContact O-N 2.91Å; K688-T691 PolarHBondContact O-OG1 3.27Å; R689-T691 PolarHBondContact O-N 2.94Å; T691-F693 WeakPolarHBondContact O-CD1 3.48Å; T691-I704 VanDerWaalsContact OG1-CB 3.3Å; T691-I704 WeakPolarHBondContact OG1-CB 3.39Å; T691-S706 WeakPolarHBondContact O-CB 3.4Å; T691-S706 PolarHBondContact O-OG 2.81Å
692	M	91.6	Very high	89.8	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.24	C	C	.	.			trans	-81.3	121.1	174.8	-62.6	-174.9	-174.9	0	0	110.6	A524 A682 R689 A697 I699 I704 S706	A524-M692 HydrophobicContact CB-CB 3.8Å; A524-M692 HydrophobicContact CB-CG 4.44Å; A524-M692 HydrophobicContact CB-SD 3.99Å; A682-M692 HydrophobicContact CB-CE 3.45Å; A682-M692 VanDerWaalsContact CB-CE 3.45Å; A682-M692 WeakPolarHBondContact O-CE 3.26Å; R689-M692 WeakPolarHBondContact O-CB 3.35Å; R689-M692 PolarHBondContact O-N 3.41Å; M692-A697 HydrophobicContact CB-CB 4.37Å; M692-A697 HydrophobicContact CG-CB 4.19Å; M692-I699 HydrophobicContact CE-CD1 4.1Å; M692-I704 HydrophobicContact CE-CD1 3.93Å; M692-I704 HydrophobicContact CG-CG2 4.28Å; M692-S706 WeakPolarHBondContact CA-OG 3.36Å
693	F	90.4	Very high	89.7	Confident	23 Å²	23	43.2 Å²	43.2	10%	0.101	25%	0.254	C	S	.	.			trans	-159	169	178	63.4	-96	0	0	0	112.4	R521 T691 S706	R521-F693 HydrophobicContact CB-CB 4.4Å; T691-F693 WeakPolarHBondContact O-CD1 3.48Å; F693-S706 VanDerWaalsContact CD1-CB 3.48Å; F693-S706 VanDerWaalsContact CE1-CB 3.48Å; F693-S706 PolarHBondContact N-OG 2.79Å; F693-S706 VanDerWaalsContact N-OG 3.14Å; F693-S706 WeakPolarHBondContact O-CB 3.34Å
694	G	89.2	Confident	89.8	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	75	-148.4	175.2	0	0	0	0	0	112.7	L520	L520-G694 WeakPolarHBondContact CG-O 3.15Å; L520-G694 PolarHBondContact N-O 2.89Å
695	S	90.8	Very high	90.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	27%	0.272	C	S	.	.	S	Bend	trans	-93.4	-24.3	-177.6	51.1	0	0	0	0	113.3	P518 I653 G654 L707 V709	P518-S695 VanDerWaalsContact CG-CB 3.43Å; I653-S695 CarbonylContact C-O 3.58Å; I653-S695 WeakPolarHBondContact CA-O 3.5Å; G654-S695 PolarHBondContact N-O 3.05Å; S695-L707 PolarHBondContact N-O 3.37Å; S695-V709 WeakPolarHBondContact CB-O 3.44Å; S695-V709 WeakPolarHBondContact OG-CG1 3.34Å; S695-V709 PolarHBondContact OG-N 3.03Å; S695-V709 VanDerWaalsContact OG-N 3.13Å; S695-V709 PolarHBondContact OG-O 2.8Å
696	V	92.2	Very high	90.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.1	-173.3	176.9	0	0	0	0	110	D606 L607 V652 I653 V698 S706 L707 V709	D606-V696 HydrophobicContact CB-CG2 3.79Å; L607-V696 HydrophobicContact CB-CG1 3.71Å; L607-V696 HydrophobicContact CB-CG2 3.92Å; L607-V696 HydrophobicContact CD1-CG1 3.44Å; L607-V696 VanDerWaalsContact CD1-CG1 3.44Å; L607-V696 HydrophobicContact CG-CG1 4.11Å; V652-V696 CarbonylContact O-C 3.54Å; V652-V696 WeakPolarHBondContact O-CA 3.4Å; I653-V696 HydrophobicContact CG2-CG1 4.3Å; I653-V696 HydrophobicContact CG2-CG2 4.18Å; V696-V698 HydrophobicContact CG1-CG2 3.99Å; V696-S706 CarbonylContact O-C 3.51Å; V696-S706 WeakPolarHBondContact O-CA 3.46Å; V696-L707 HydrophobicContact CB-CB 4.26Å; V696-L707 PolarHBondContact N-O 2.79Å; V696-L707 PolarHBondContact O-N 3Å; V696-V709 HydrophobicContact CG2-CG1 4.32Å
697	A	94.3	Very high	90.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.1	169.8	0	0	0	0	0	109.6	L520 A651 V652 M692 I704	L520-A697 HydrophobicContact CD1-CB 3.75Å; A651-A697 CarbonylContact C-O 3.56Å; A651-A697 WeakPolarHBondContact CA-O 3.42Å; V652-A697 HydrophobicContact CB-CB 4.4Å; V652-A697 PolarHBondContact N-O 3.24Å; V652-A697 PolarHBondContact O-N 3.47Å; M692-A697 HydrophobicContact CB-CB 4.37Å; M692-A697 HydrophobicContact CG-CB 4.19Å; A697-I704 HydrophobicContact CB-CG2 4.39Å
698	V	93.3	Very high	90.6	Very high	15 Å²	15	40.8 Å²	40.8	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.3	178.8	-175.6	0	0	0	0	109.5	L607 M649 V696 R700 I704 N705	L607-V698 HydrophobicContact CD1-CG2 3.45Å; L607-V698 VanDerWaalsContact CD1-CG2 3.45Å; M649-V698 HydrophobicContact CG-CG1 4Å; M649-V698 HydrophobicContact SD-CG1 3.8Å; V696-V698 HydrophobicContact CG1-CG2 3.99Å; V698-R700 HydrophobicContact CG1-CG 4.13Å; V698-I704 CarbonylContact O-C 3.57Å; V698-I704 VanDerWaalsContact O-CA 3.32Å; V698-I704 WeakPolarHBondContact O-CA 3.44Å; V698-N705 PolarHBondContact N-O 2.92Å; V698-N705 PolarHBondContact O-N 2.98Å
699	I	94.2	Very high	90.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121	-175.8	-55.6	163.5	0	0	0	108.1	A650 V652 M678 L679 A682 M692 I704	A650-I699 HydrophobicContact CB-CB 4.1Å; A650-I699 HydrophobicContact CB-CD1 4.31Å; A650-I699 PolarHBondContact N-O 2.97Å; A650-I699 PolarHBondContact O-N 3.03Å; V652-I699 HydrophobicContact CG2-CD1 4.27Å; M678-I699 HydrophobicContact CB-CG2 3.93Å; L679-I699 HydrophobicContact CB-CD1 4.48Å; L679-I699 HydrophobicContact CD1-CD1 3.43Å; L679-I699 VanDerWaalsContact CD1-CD1 3.43Å; A682-I699 HydrophobicContact CB-CD1 3.79Å; A682-I699 HydrophobicContact CB-CG1 4.34Å; A682-I699 HydrophobicContact CB-CG2 4.24Å; M692-I699 HydrophobicContact CE-CD1 4.1Å; I699-I704 HydrophobicContact CG1-CD1 4.35Å; I699-I704 HydrophobicContact CG1-CG1 4.09Å; I699-I704 HydrophobicContact CG1-CG2 4.36Å; I699-I704 HydrophobicContact CG2-CG1 4.3Å
700	R	91.8	Very high	90	Very high	114 Å²	114	36.5 Å²	36.5	43%	0.43	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	171.9	178.2	-61	-178.4	-64.1	-156.4	-2	109.4	M649 V698 S702 G703 N705	M649-R700 HydrophobicContact CG-CG 4.27Å; V698-R700 HydrophobicContact CG1-CG 4.13Å; R700-S702 PolarHBondContact O-N 3.19Å; R700-G703 PolarHBondContact N-O 2.86Å; R700-G703 PolarHBondContact O-N 3.38Å; R700-N705 PolarHBondContact NH2-ND2 3.01Å
701	E	89.6	Confident	90	Very high	151 Å²	151	40.1 Å²	40.1	71%	0.706	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.3	173.6	-63.9	-168.3	156.8	0	0	112.9	M678 G703	M678-E701 HydrophobicContact SD-CG 3.81Å; E701-G703 PolarHBondContact O-N 2.85Å
702	S	88.7	Confident	89.9	Confident	100 Å²	100	39.4 Å²	39.4	70%	0.699	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.1	176.5	58.4	0	0	0	0	114.6	R700	R700-S702 PolarHBondContact O-N 3.19Å
703	G	90.5	Very high	89.9	Confident	29 Å²	29	40 Å²	40	30%	0.299	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-166.7	-177.6	0	0	0	0	0	113.3	R700 E701	R700-G703 PolarHBondContact N-O 2.86Å; R700-G703 PolarHBondContact O-N 3.38Å; E701-G703 PolarHBondContact O-N 2.85Å
704	I	92.3	Very high	89.9	Confident	27 Å²	27	42.7 Å²	42.7	14%	0.138	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129	-172	-55.8	178.6	0	0	0	109.6	A682 K688 T691 M692 A697 V698 I699	A682-I704 HydrophobicContact CB-CD1 3.69Å; K688-I704 HydrophobicContact CB-CD1 3.66Å; K688-I704 HydrophobicContact CG-CD1 4.22Å; T691-I704 VanDerWaalsContact OG1-CB 3.3Å; T691-I704 WeakPolarHBondContact OG1-CB 3.39Å; M692-I704 HydrophobicContact CE-CD1 3.93Å; M692-I704 HydrophobicContact CG-CG2 4.28Å; A697-I704 HydrophobicContact CB-CG2 4.39Å; V698-I704 CarbonylContact O-C 3.57Å; V698-I704 VanDerWaalsContact O-CA 3.32Å; V698-I704 WeakPolarHBondContact O-CA 3.44Å; I699-I704 HydrophobicContact CG1-CD1 4.35Å; I699-I704 HydrophobicContact CG1-CG1 4.09Å; I699-I704 HydrophobicContact CG1-CG2 4.36Å; I699-I704 HydrophobicContact CG2-CG1 4.3Å
705	N	91.3	Very high	90.1	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.2	174.7	-68.9	-81.2	0	0	0	109.1	V698 R700	V698-N705 PolarHBondContact N-O 2.92Å; V698-N705 PolarHBondContact O-N 2.98Å; R700-N705 PolarHBondContact NH2-ND2 3.01Å
706	S	91.1	Very high	90.2	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145.2	179	-66.2	0	0	0	0	111.3	Q622 T691 M692 F693 V696	Q622-S706 PolarHBondContact NE2-O 2.98Å; T691-S706 WeakPolarHBondContact O-CB 3.4Å; T691-S706 PolarHBondContact O-OG 2.81Å; M692-S706 WeakPolarHBondContact CA-OG 3.36Å; F693-S706 VanDerWaalsContact CD1-CB 3.48Å; F693-S706 VanDerWaalsContact CE1-CB 3.48Å; F693-S706 PolarHBondContact N-OG 2.79Å; F693-S706 VanDerWaalsContact N-OG 3.14Å; F693-S706 WeakPolarHBondContact O-CB 3.34Å; V696-S706 CarbonylContact O-C 3.51Å; V696-S706 WeakPolarHBondContact O-CA 3.46Å
707	L	89.5	Confident	90.1	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.157	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142	-179.2	-58.3	173.9	0	0	0	109.8	V616 T618 S695 V696 V709	V616-L707 HydrophobicContact CG2-CD1 3.48Å; V616-L707 VanDerWaalsContact CG2-CD1 3.48Å; T618-L707 HydrophobicContact CG2-CD1 4.36Å; S695-L707 PolarHBondContact N-O 3.37Å; V696-L707 HydrophobicContact CB-CB 4.26Å; V696-L707 PolarHBondContact N-O 2.79Å; V696-L707 PolarHBondContact O-N 3Å; L707-V709 HydrophobicContact CB-CG1 4.27Å
708	R	86.4	Confident	89.6	Confident	38 Å²	38	51 Å²	51	14%	0.143	28%	0.275	C	S	.	.			trans	-115.2	94.2	172.5	-169.5	-179.1	-54.9	-141.3	-4.4	108.8	P619 P630 R635	P619-R708 WeakPolarHBondContact CB-O 3.38Å; P619-R708 WeakPolarHBondContact CG-O 3.36Å; P630-R708 VanDerWaalsContact CG-CD 3.41Å; R635-R708 HydrophobicContact CG-CG 4.14Å
709	V	85	Confident	89.4	Confident	4 Å²	4	51 Å²	51	2%	0.024	28%	0.275	C	S	.	.			trans	-133.9	150.6	-172.8	51	0	0	0	0	109.1	D606 K617 P619 A637 S695 V696 L707	D606-V709 HydrophobicContact CB-CB 4.49Å; D606-V709 HydrophobicContact CB-CG1 3.45Å; D606-V709 VanDerWaalsContact CB-CG1 3.45Å; D606-V709 HydrophobicContact CB-CG2 4.4Å; K617-V709 HydrophobicContact CB-CG2 3.76Å; P619-V709 HydrophobicContact CB-CB 4.34Å; P619-V709 HydrophobicContact CG-CB 4.46Å; A637-V709 HydrophobicContact CB-CG2 3.98Å; S695-V709 WeakPolarHBondContact CB-O 3.44Å; S695-V709 WeakPolarHBondContact OG-CG1 3.34Å; S695-V709 PolarHBondContact OG-N 3.03Å; S695-V709 VanDerWaalsContact OG-N 3.13Å; S695-V709 PolarHBondContact OG-O 2.8Å; V696-V709 HydrophobicContact CG2-CG1 4.32Å; L707-V709 HydrophobicContact CB-CG1 4.27Å
710	G	83.8	Confident	89.1	Confident	17 Å²	17	60.4 Å²	60.4	18%	0.175	31%	0.31	C	S	.	.	S	Bend	trans	88.7	-177.5	174.5	0	0	0	0	0	115.1	R635	R635-G710 PolarHBondContact NH1-O 2.92Å; R635-G710 PolarHBondContact O-N 3.4Å
711	D	84.2	Confident	88.7	Confident	138 Å²	138	58.8 Å²	58.8	74%	0.738	31%	0.306	S	S	*	.			trans	-69.8	147.2	-177.2	-67.5	-28.6	0	0	0	111.4
712	V	87.8	Confident	88.4	Confident	43 Å²	43	52.6 Å²	52.6	26%	0.261	28%	0.277	S	S	.	.			trans	-106.4	134.6	174	161.7	0	0	0	0	108.8	P516 M517 Y714	P516-V712 HydrophobicContact CB-CG1 3.58Å; M517-V712 CarbonylContact O-C 3.56Å; M517-V712 WeakPolarHBondContact O-CA 3.38Å; M517-V712 WeakPolarHBondContact O-CG1 3.37Å; V712-Y714 HydrophobicContact CG1-CE1 4.3Å
713	Y	91.3	Very high	88.1	Confident	15 Å²	15	55 Å²	55	6%	0.059	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	166.9	172.3	61.2	-80.9	0	0	0	109.9	M517 P518 F655 Q656 S664 V715	M517-Y713 HydrophobicContact CB-CD1 4.19Å; M517-Y713 HydrophobicContact CB-CD2 3.84Å; M517-Y713 HydrophobicContact CB-CE1 3.77Å; M517-Y713 HydrophobicContact CB-CE2 3.37Å; M517-Y713 HydrophobicContact CB-CG 4.23Å; M517-Y713 HydrophobicContact CG-CE2 4.18Å; M517-Y713 PolarHBondContact N-O 3.26Å; M517-Y713 VanDerWaalsContact O-CD1 3.27Å; M517-Y713 WeakPolarHBondContact O-CD1 3.25Å; M517-Y713 PolarHBondContact O-N 2.82Å; P518-Y713 HydrophobicContact CB-CE1 4.33Å; F655-Y713 PolarHBondContact O-OH 2.84Å; Q656-Y713 HydrophobicContact CB-CD1 3.55Å; Q656-Y713 HydrophobicContact CB-CD2 4.06Å; Q656-Y713 HydrophobicContact CB-CE1 3.59Å; Q656-Y713 HydrophobicContact CB-CE2 4.1Å; Q656-Y713 HydrophobicContact CB-CG 3.79Å; Q656-Y713 VanDerWaalsContact CD-CB 3.49Å; Q656-Y713 HydrophobicContact CG-CD1 4.01Å; Q656-Y713 HydrophobicContact CG-CD2 3.63Å; Q656-Y713 HydrophobicContact CG-CE1 4.27Å; Q656-Y713 HydrophobicContact CG-CE2 3.91Å; Q656-Y713 HydrophobicContact CG-CG 3.68Å; Q656-Y713 VanDerWaalsContact N-CE1 3.27Å; S664-Y713 WeakPolarHBondContact CB-OH 3.32Å; S664-Y713 PolarHBondContact OG-OH 3.29Å; S664-Y713 VanDerWaalsContact OG-OH 3.07Å; Y713-V715 HydrophobicContact CD2-CG2 3.9Å; Y713-V715 HydrophobicContact CE2-CG2 3.73Å
714	Y	91.4	Very high	87.7	Confident	78 Å²	78	58.1 Å²	58.1	31%	0.306	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.6	-172.8	-61	-78.9	0	0	0	110.8	F514 P516 Q662 V712 Y726	F514-Y714 AromaticContact CE1-CD1 3.77Å; F514-Y714 HydrophobicContact CE1-CD1 3.77Å; F514-Y714 HydrophobicContact CE1-CE1 4.24Å; F514-Y714 AromaticContact CE2-CD1 3.89Å; F514-Y714 HydrophobicContact CE2-CD1 3.89Å; F514-Y714 AromaticContact CE2-CG 3.97Å; F514-Y714 HydrophobicContact CE2-CG 3.97Å; F514-Y714 AromaticContact CZ-CD1 3.18Å; F514-Y714 HydrophobicContact CZ-CD1 3.18Å; F514-Y714 AromaticContact CZ-CE1 3.87Å; F514-Y714 HydrophobicContact CZ-CE1 3.87Å; F514-Y714 AromaticContact CZ-CG 3.67Å; F514-Y714 HydrophobicContact CZ-CG 3.67Å; P516-Y714 HydrophobicContact CB-CD1 4.17Å; P516-Y714 HydrophobicContact CB-CE1 3.97Å; Q662-Y714 PolarHBondContact NE2-O 2.84Å; V712-Y714 HydrophobicContact CG1-CE1 4.3Å; Y714-Y726 AromaticContact CE1-CE1 3.59Å; Y714-Y726 HydrophobicContact CE1-CE1 3.59Å; Y714-Y726 AromaticContact CE1-CZ 3.98Å; Y714-Y726 AromaticContact CZ-CE1 3.9Å
715	V	92.5	Very high	87.1	Confident	11 Å²	11	63 Å²	63	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	177.4	179.5	0	0	0	0	109.2	F514 I515 M517 Y713	F514-V715 WeakPolarHBondContact CA-O 3.48Å; I515-V715 HydrophobicContact CG2-CB 4.3Å; I515-V715 PolarHBondContact N-O 2.74Å; I515-V715 PolarHBondContact O-N 2.94Å; M517-V715 HydrophobicContact CB-CG2 4.43Å; M517-V715 HydrophobicContact CG-CB 4.4Å; M517-V715 HydrophobicContact CG-CG2 3.95Å; Y713-V715 HydrophobicContact CD2-CG2 3.9Å; Y713-V715 HydrophobicContact CE2-CG2 3.73Å
716	G	92.5	Very high	86.4	Confident	30 Å²	30	60.1 Å²	60.1	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.7	-168.6	177.8	0	0	0	0	0	113.4	H513 Q662	H513-G716 CarbonylContact O-C 3.48Å; H513-G716 VanDerWaalsContact O-CA 3.28Å; H513-G716 WeakPolarHBondContact O-CA 3.42Å; Q662-G716 PolarHBondContact OE1-O 2.7Å
717	H	89.6	Confident	85.8	Confident	125 Å²	125	62.3 Å²	62.3	58%	0.579	30%	0.299	S	S	*	.			trans	-119	124.8	-176.4	179.2	71	0	0	0	110.9	H513	H513-H717 PolarHBondContact O-N 3.48Å
718	L	85.4	Confident	85.3	Confident	14 Å²	14	62 Å²	62	7%	0.073	30%	0.297	C	S	.	.			trans	-128.6	126.8	170.2	-151.3	96.4	0	0	0	107.9	Y391 F514 E722 R723	Y391-L718 HydrophobicContact CD1-CD1 3.62Å; Y391-L718 HydrophobicContact CD2-CD1 3.75Å; Y391-L718 HydrophobicContact CE1-CD1 3.98Å; Y391-L718 HydrophobicContact CE2-CD1 4.12Å; Y391-L718 HydrophobicContact CG-CD1 3.47Å; Y391-L718 VanDerWaalsContact CG-CD1 3.47Å; F514-L718 HydrophobicContact CB-CB 4.29Å; F514-L718 HydrophobicContact CB-CD1 3.55Å; F514-L718 HydrophobicContact CD1-CD1 3.9Å; F514-L718 HydrophobicContact CD2-CB 3.79Å; F514-L718 HydrophobicContact CD2-CD1 4.29Å; F514-L718 HydrophobicContact CE2-CB 4.22Å; F514-L718 HydrophobicContact CG-CB 4.06Å; F514-L718 HydrophobicContact CG-CD1 3.67Å; F514-L718 HydrophobicContact CG-CG 4.37Å; L718-E722 HydrophobicContact CD1-CB 4.43Å; L718-E722 HydrophobicContact CD2-CB 3.47Å; L718-E722 VanDerWaalsContact CD2-CB 3.47Å; L718-E722 HydrophobicContact CG-CB 3.61Å; L718-R723 HydrophobicContact CD2-CB 4.02Å
719	P	89	Confident	84.6	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.091	31%	0.309	C	S	.	.			trans	-55	148.5	176	-25.8	33.3	0	0	0	111.8	Y512 F721 E722 R723	Y512-P719 HydrophobicContact CD1-CG 4.26Å; Y512-P719 HydrophobicContact CD2-CG 4.25Å; Y512-P719 HydrophobicContact CE1-CG 3.71Å; Y512-P719 HydrophobicContact CE2-CG 3.69Å; Y512-P719 VanDerWaalsContact CZ-CG 3.4Å; P719-F721 HydrophobicContact CB-CD1 3.72Å; P719-F721 HydrophobicContact CB-CE1 3.22Å; P719-F721 HydrophobicContact CB-CE2 4.36Å; P719-F721 HydrophobicContact CB-CG 4.45Å; P719-F721 HydrophobicContact CB-CZ 3.58Å; P719-F721 HydrophobicContact CG-CE1 4.06Å; P719-F721 HydrophobicContact CG-CZ 3.99Å; P719-F721 PolarHBondContact O-N 3.48Å; P719-E722 HydrophobicContact CB-CG 4.5Å; P719-E722 HydrophobicContact CG-CG 4.45Å; P719-E722 WeakPolarHBondContact O-CB 3.45Å; P719-E722 PolarHBondContact O-N 3.33Å; P719-R723 PolarHBondContact O-N 3.3Å
720	W	86.8	Confident	83.9	Confident	203 Å²	203	66.1 Å²	66.1	77%	0.769	33%	0.329	S	S	*	.	H	α-helix	trans	-54.8	-35.5	-173.1	70.6	-92.9	0	0	0	113.5	R723 L724	W720-R723 PolarHBondContact O-N 2.76Å; W720-L724 PolarHBondContact O-N 2.85Å
721	F	84.8	Confident	83.7	Confident	80 Å²	80	70.6 Å²	70.6	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-71.1	-40.5	179.2	60.6	-92.1	0	0	0	111.7	P719 R723 W725	P719-F721 HydrophobicContact CB-CD1 3.72Å; P719-F721 HydrophobicContact CB-CE1 3.22Å; P719-F721 HydrophobicContact CB-CE2 4.36Å; P719-F721 HydrophobicContact CB-CG 4.45Å; P719-F721 HydrophobicContact CB-CZ 3.58Å; P719-F721 HydrophobicContact CG-CE1 4.06Å; P719-F721 HydrophobicContact CG-CZ 3.99Å; P719-F721 PolarHBondContact O-N 3.48Å; F721-R723 VanDerWaalsContact C-N 3.26Å; F721-R723 PolarHBondContact O-N 2.92Å; F721-W725 VanDerWaalsContact O-CD1 3.25Å; F721-W725 PolarHBondContact O-N 2.63Å; F721-W725 VanDerWaalsContact O-N 3.14Å
722	E	83.2	Confident	83.5	Confident	20 Å²	20	68.2 Å²	68.2	9%	0.093	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-36.6	170.8	-70.2	-61.5	158.9	0	0	111.3	R394 Y512 L718 P719 W725 Y726	R394-E722 VanDerWaalsContact CZ-CD 3.43Å; R394-E722 IonicContact CZ-OE1 3.16Å; R394-E722 IonicContact CZ-OE2 3.15Å; R394-E722 IonicContact NE-OE1 3.11Å; R394-E722 PolarHBondContact NE-OE1 2.91Å; R394-E722 VanDerWaalsContact NE-OE1 3.11Å; R394-E722 IonicContact NE-OE2 2.66Å; R394-E722 PolarHBondContact NE-OE2 2.81Å; R394-E722 IonicContact NH1-OE1 3.95Å; R394-E722 IonicContact NH2-OE1 3.09Å; R394-E722 PolarHBondContact NH2-OE1 2.87Å; R394-E722 VanDerWaalsContact NH2-OE1 3.09Å; R394-E722 IonicContact NH2-OE2 2.86Å; R394-E722 PolarHBondContact NH2-OE2 2.92Å; Y512-E722 HydrophobicContact CE2-CG 4.49Å; L718-E722 HydrophobicContact CD1-CB 4.43Å; L718-E722 HydrophobicContact CD2-CB 3.47Å; L718-E722 VanDerWaalsContact CD2-CB 3.47Å; L718-E722 HydrophobicContact CG-CB 3.61Å; P719-E722 HydrophobicContact CB-CG 4.5Å; P719-E722 HydrophobicContact CG-CG 4.45Å; P719-E722 WeakPolarHBondContact O-CB 3.45Å; P719-E722 PolarHBondContact O-N 3.33Å; E722-W725 PolarHBondContact O-N 3.5Å; E722-Y726 WeakPolarHBondContact O-CB 3.49Å; E722-Y726 PolarHBondContact O-N 2.89Å
723	R	82	Confident	83.4	Confident	151 Å²	151	72.5 Å²	72.5	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-69.8	-39.9	-178.3	-168.6	174.6	178.7	174.9	-0	111.6	L718 P719 W720 F721 W725 Y726 A727	L718-R723 HydrophobicContact CD2-CB 4.02Å; P719-R723 PolarHBondContact O-N 3.3Å; W720-R723 PolarHBondContact O-N 2.76Å; F721-R723 VanDerWaalsContact C-N 3.26Å; F721-R723 PolarHBondContact O-N 2.92Å; R723-W725 VanDerWaalsContact C-N 3.32Å; R723-Y726 PolarHBondContact O-N 2.83Å; R723-A727 WeakPolarHBondContact O-CB 3.46Å; R723-A727 PolarHBondContact O-N 3.17Å
724	L	82.2	Confident	83.1	Confident	95 Å²	95	76 Å²	76	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-45	172.3	-175.7	65.2	0	0	0	110.7	W720 A727 L728	W720-L724 PolarHBondContact O-N 2.85Å; L724-A727 PolarHBondContact O-N 3.07Å; L724-L728 HydrophobicContact CD1-CD1 4.15Å; L724-L728 HydrophobicContact CD1-CG 4.49Å; L724-L728 HydrophobicContact CG-CD1 3.82Å; L724-L728 WeakPolarHBondContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CD1 3.48Å; L724-L728 WeakPolarHBondContact O-CG 3.32Å; L724-L728 PolarHBondContact O-N 3.39Å
725	W	78.9	Confident	82.7	Confident	128 Å²	128	74.7 Å²	74.7	49%	0.485	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-45.1	176.2	-89.6	103.1	0	0	0	113.1	R394 F721 E722 R723 A727 L728 A729 L735	R394-W725 VanDerWaalsContact CZ-CD1 3.48Å; F721-W725 VanDerWaalsContact O-CD1 3.25Å; F721-W725 PolarHBondContact O-N 2.63Å; F721-W725 VanDerWaalsContact O-N 3.14Å; E722-W725 PolarHBondContact O-N 3.5Å; R723-W725 VanDerWaalsContact C-N 3.32Å; W725-A727 VanDerWaalsContact C-N 3.32Å; W725-A727 PolarHBondContact O-N 2.84Å; W725-L728 CarbonylContact O-C 3.5Å; W725-L728 PolarHBondContact O-N 3.41Å; W725-L728 VanDerWaalsContact O-N 3.14Å; W725-A729 WeakPolarHBondContact O-CB 3.42Å; W725-A729 PolarHBondContact O-N 3.31Å; W725-L735 HydrophobicContact CZ3-CD1 4.43Å; W725-L735 HydrophobicContact CZ3-CD2 4.22Å
726	Y	77.9	Confident	82.5	Confident	18 Å²	18	77.1 Å²	77.1	7%	0.071	40%	0.396	C	S	.	.	H	α-helix	trans	-57.7	-44.9	175.8	-179.8	-97.2	0	0	0	111.7	Y391 M393 F514 V629 Y714 E722 R723 L728 A729	Y391-Y726 AromaticContact CE2-CD2 3.84Å; Y391-Y726 HydrophobicContact CE2-CD2 3.84Å; Y391-Y726 HydrophobicContact CE2-CE2 4.39Å; M393-Y726 HydrophobicContact SD-CD2 3.83Å; M393-Y726 HydrophobicContact SD-CE2 3.94Å; F514-Y726 HydrophobicContact CE1-CD1 4.4Å; F514-Y726 HydrophobicContact CE1-CE1 4.22Å; F514-Y726 HydrophobicContact CE1-CE2 4.36Å; F514-Y726 HydrophobicContact CZ-CE1 4.42Å; V629-Y726 HydrophobicContact CG2-CE2 4.01Å; V629-Y726 VanDerWaalsContact CG2-OH 3.32Å; V629-Y726 WeakPolarHBondContact CG2-OH 3.43Å; Y714-Y726 AromaticContact CE1-CE1 3.59Å; Y714-Y726 HydrophobicContact CE1-CE1 3.59Å; Y714-Y726 AromaticContact CE1-CZ 3.98Å; Y714-Y726 AromaticContact CZ-CE1 3.9Å; E722-Y726 WeakPolarHBondContact O-CB 3.49Å; E722-Y726 PolarHBondContact O-N 2.89Å; R723-Y726 PolarHBondContact O-N 2.83Å; Y726-L728 VanDerWaalsContact C-N 3.32Å; Y726-L728 PolarHBondContact O-N 2.89Å; Y726-A729 PolarHBondContact O-N 2.96Å
727	A	77.9	Confident	82.5	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-35.1	176.3	0	0	0	0	0	112.7	R723 L724 W725 H731	R723-A727 WeakPolarHBondContact O-CB 3.46Å; R723-A727 PolarHBondContact O-N 3.17Å; L724-A727 PolarHBondContact O-N 3.07Å; W725-A727 VanDerWaalsContact C-N 3.32Å; W725-A727 PolarHBondContact O-N 2.84Å; A727-H731 PolarHBondContact O-CD2 2.81Å
728	L	78.8	Confident	82.5	Confident	22 Å²	22	77.1 Å²	77.1	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-79.4	-23	179.2	-71.1	170.8	0	0	0	113.7	L724 W725 Y726 N730 H731 L734 L735 L738	L724-L728 HydrophobicContact CD1-CD1 4.15Å; L724-L728 HydrophobicContact CD1-CG 4.49Å; L724-L728 HydrophobicContact CG-CD1 3.82Å; L724-L728 WeakPolarHBondContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CD1 3.48Å; L724-L728 WeakPolarHBondContact O-CG 3.32Å; L724-L728 PolarHBondContact O-N 3.39Å; W725-L728 CarbonylContact O-C 3.5Å; W725-L728 PolarHBondContact O-N 3.41Å; W725-L728 VanDerWaalsContact O-N 3.14Å; Y726-L728 VanDerWaalsContact C-N 3.32Å; Y726-L728 PolarHBondContact O-N 2.89Å; L728-N730 PolarHBondContact O-N 3.01Å; L728-H731 CarbonylContact O-C 3.54Å; L728-H731 PolarHBondContact O-N 3.28Å; L728-L734 HydrophobicContact CD2-CD2 3.46Å; L728-L734 VanDerWaalsContact CD2-CD2 3.46Å; L728-L735 HydrophobicContact CB-CD1 4.17Å; L728-L735 HydrophobicContact CB-CD2 3.82Å; L728-L735 HydrophobicContact CB-CG 3.93Å; L728-L735 HydrophobicContact CD1-CD2 3.88Å; L728-L735 HydrophobicContact CD2-CD2 4.31Å; L728-L735 HydrophobicContact CD2-CG 4.47Å; L728-L735 HydrophobicContact CG-CD2 4.23Å; L728-L735 WeakPolarHBondContact O-CD1 3.49Å; L728-L738 HydrophobicContact CD2-CD1 3.83Å
729	A	72	Confident	82.7	Confident	47 Å²	47	78.9 Å²	78.9	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-33	-174.4	0	0	0	0	0	113.1	W725 Y726 H731	W725-A729 WeakPolarHBondContact O-CB 3.42Å; W725-A729 PolarHBondContact O-N 3.31Å; Y726-A729 PolarHBondContact O-N 2.96Å; A729-H731 VanDerWaalsContact C-N 3.31Å
730	N	69.6	Low	82.9	Confident	83 Å²	83	80.6 Å²	80.6	44%	0.444	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.2	177.1	-68	-15.4	0	0	0	113.7	V629 L728 P732	V629-N730 WeakPolarHBondContact CB-ND2 3.46Å; L728-N730 PolarHBondContact O-N 3.01Å; N730-P732 VanDerWaalsContact C-CD 3.44Å; N730-P732 WeakPolarHBondContact O-CD 3.26Å
731	H	79.9	Confident	83.3	Confident	110 Å²	110	74.8 Å²	74.8	51%	0.509	41%	0.41	S	S	.	.			trans	-123.1	67.6	-177.1	-60.1	-58.3	0	0	0	111.4	A727 L728 A729 I733 L734 L735	A727-H731 PolarHBondContact O-CD2 2.81Å; L728-H731 CarbonylContact O-C 3.54Å; L728-H731 PolarHBondContact O-N 3.28Å; A729-H731 VanDerWaalsContact C-N 3.31Å; H731-I733 PolarHBondContact O-N 3.37Å; H731-L734 HydrophobicContact CB-CB 3.67Å; H731-L734 HydrophobicContact CB-CD2 4.46Å; H731-L734 WeakPolarHBondContact O-CB 3.43Å; H731-L734 PolarHBondContact O-N 2.8Å; H731-L735 PolarHBondContact O-N 2.93Å
732	P	79.6	Confident	83.7	Confident	88 Å²	88	73.7 Å²	73.7	57%	0.571	41%	0.412	S	S	*	.	H	α-helix	trans	-60.6	-32.2	-177.4	24.7	-34.3	0	0	0	112.7	N730 L735 A736	N730-P732 VanDerWaalsContact C-CD 3.44Å; N730-P732 WeakPolarHBondContact O-CD 3.26Å; P732-L735 WeakPolarHBondContact O-CB 3.39Å; P732-L735 PolarHBondContact O-N 3.16Å; P732-A736 WeakPolarHBondContact O-CB 3.07Å; P732-A736 PolarHBondContact O-N 2.75Å
733	I	85.9	Confident	84.2	Confident	134 Å²	134	77.2 Å²	77.2	69%	0.687	44%	0.435	S	S	*	.	H	α-helix	trans	-67.7	-43.4	175.2	-60	173.6	0	0	0	110.7	H731 L735 A736 V737	H731-I733 PolarHBondContact O-N 3.37Å; I733-L735 VanDerWaalsContact C-N 3.3Å; I733-L735 PolarHBondContact O-N 3.26Å; I733-A736 WeakPolarHBondContact O-CB 3.45Å; I733-A736 PolarHBondContact O-N 2.97Å; I733-V737 HydrophobicContact CG2-CG2 4.46Å; I733-V737 WeakPolarHBondContact O-CG2 3.44Å; I733-V737 PolarHBondContact O-N 2.99Å
734	L	84.4	Confident	84.8	Confident	89 Å²	89	75.4 Å²	75.4	47%	0.466	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-40.7	177.2	-167.7	99	0	0	0	110.5	L728 H731 V737 L738	L728-L734 HydrophobicContact CD2-CD2 3.46Å; L728-L734 VanDerWaalsContact CD2-CD2 3.46Å; H731-L734 HydrophobicContact CB-CB 3.67Å; H731-L734 HydrophobicContact CB-CD2 4.46Å; H731-L734 WeakPolarHBondContact O-CB 3.43Å; H731-L734 PolarHBondContact O-N 2.8Å; L734-V737 PolarHBondContact O-N 3.04Å; L734-L738 HydrophobicContact CD2-CD1 4.03Å; L734-L738 HydrophobicContact CG-CD1 4.25Å; L734-L738 WeakPolarHBondContact O-CB 3.49Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.36Å; L734-L738 PolarHBondContact O-N 2.93Å
735	L	84.8	Confident	85.5	Confident	49 Å²	49	75.5 Å²	75.5	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-58.6	-45.7	171.7	-83.4	170.5	0	0	0	111.9	W725 L728 H731 P732 I733 V737 L738 A739	W725-L735 HydrophobicContact CZ3-CD1 4.43Å; W725-L735 HydrophobicContact CZ3-CD2 4.22Å; L728-L735 HydrophobicContact CB-CD1 4.17Å; L728-L735 HydrophobicContact CB-CD2 3.82Å; L728-L735 HydrophobicContact CB-CG 3.93Å; L728-L735 HydrophobicContact CD1-CD2 3.88Å; L728-L735 HydrophobicContact CD2-CD2 4.31Å; L728-L735 HydrophobicContact CD2-CG 4.47Å; L728-L735 HydrophobicContact CG-CD2 4.23Å; L728-L735 WeakPolarHBondContact O-CD1 3.49Å; H731-L735 PolarHBondContact O-N 2.93Å; P732-L735 WeakPolarHBondContact O-CB 3.39Å; P732-L735 PolarHBondContact O-N 3.16Å; I733-L735 VanDerWaalsContact C-N 3.3Å; I733-L735 PolarHBondContact O-N 3.26Å; L735-V737 PolarHBondContact O-N 2.88Å; L735-L738 PolarHBondContact O-N 2.81Å; L735-A739 VanDerWaalsContact O-CB 3.28Å; L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.82Å
736	A	87.7	Confident	86.3	Confident	62 Å²	62	74.7 Å²	74.7	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.8	0	0	0	0	0	112.3	P732 I733 A739 A740	P732-A736 WeakPolarHBondContact O-CB 3.07Å; P732-A736 PolarHBondContact O-N 2.75Å; I733-A736 WeakPolarHBondContact O-CB 3.45Å; I733-A736 PolarHBondContact O-N 2.97Å; A736-A739 PolarHBondContact O-N 2.96Å; A736-A740 WeakPolarHBondContact O-CB 2.98Å; A736-A740 PolarHBondContact O-N 3.01Å
737	V	91.6	Very high	87	Confident	73 Å²	73	76.6 Å²	76.6	44%	0.442	46%	0.46	S	S	.	.	H	α-helix	trans	-66.4	-45.6	175.7	171.3	0	0	0	0	111.1	I733 L734 L735 A739 A740 I741	I733-V737 HydrophobicContact CG2-CG2 4.46Å; I733-V737 WeakPolarHBondContact O-CG2 3.44Å; I733-V737 PolarHBondContact O-N 2.99Å; L734-V737 PolarHBondContact O-N 3.04Å; L735-V737 PolarHBondContact O-N 2.88Å; V737-A739 VanDerWaalsContact C-N 3.3Å; V737-A739 PolarHBondContact O-N 2.93Å; V737-A740 PolarHBondContact O-N 2.73Å; V737-I741 HydrophobicContact CG1-CD1 3.75Å; V737-I741 HydrophobicContact CG1-CG1 4.37Å; V737-I741 WeakPolarHBondContact O-CB 3.31Å; V737-I741 VanDerWaalsContact O-CG1 3.29Å; V737-I741 WeakPolarHBondContact O-CG1 3.36Å; V737-I741 PolarHBondContact O-N 3.34Å
738	L	89.9	Confident	87.8	Confident	83 Å²	83	80 Å²	80	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-37.7	175.7	-72.5	171.4	0	0	0	111.6	L728 L734 L735 S742	L728-L738 HydrophobicContact CD2-CD1 3.83Å; L734-L738 HydrophobicContact CD2-CD1 4.03Å; L734-L738 HydrophobicContact CG-CD1 4.25Å; L734-L738 WeakPolarHBondContact O-CB 3.49Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.36Å; L734-L738 PolarHBondContact O-N 2.93Å; L735-L738 PolarHBondContact O-N 2.81Å; L738-S742 WeakPolarHBondContact O-CB 3.45Å; L738-S742 PolarHBondContact O-N 2.66Å; L738-S742 PolarHBondContact O-OG 2.92Å
739	A	90.2	Very high	88.6	Confident	50 Å²	50	82.4 Å²	82.4	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-65	-44.5	172.9	0	0	0	0	0	111.5	L735 A736 V737 S742 V743	L735-A739 VanDerWaalsContact O-CB 3.28Å; L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.82Å; A736-A739 PolarHBondContact O-N 2.96Å; V737-A739 VanDerWaalsContact C-N 3.3Å; V737-A739 PolarHBondContact O-N 2.93Å; A739-S742 WeakPolarHBondContact CA-OG 3.45Å; A739-S742 PolarHBondContact O-N 3.18Å; A739-S742 PolarHBondContact O-OG 2.86Å; A739-V743 VanDerWaalsContact O-CG2 3.31Å; A739-V743 WeakPolarHBondContact O-CG2 3.39Å; A739-V743 PolarHBondContact O-N 3.03Å
740	A	93.2	Very high	89.6	Confident	51 Å²	51	85 Å²	85	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.1	0	0	0	0	0	112	A736 V737 S742 V743 I744	A736-A740 WeakPolarHBondContact O-CB 2.98Å; A736-A740 PolarHBondContact O-N 3.01Å; V737-A740 PolarHBondContact O-N 2.73Å; A740-S742 VanDerWaalsContact C-N 3.35Å; A740-S742 PolarHBondContact O-N 2.55Å; A740-V743 PolarHBondContact O-N 3.09Å; A740-I744 VanDerWaalsContact O-CG1 3.27Å; A740-I744 WeakPolarHBondContact O-CG1 3.36Å; A740-I744 PolarHBondContact O-N 3.48Å
741	I	94.5	Very high	90.7	Very high	81 Å²	81	87.2 Å²	87.2	42%	0.415	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-43.2	176.1	-69.1	168.7	0	0	0	110.5	V737 V743 I744 L745	V737-I741 HydrophobicContact CG1-CD1 3.75Å; V737-I741 HydrophobicContact CG1-CG1 4.37Å; V737-I741 WeakPolarHBondContact O-CB 3.31Å; V737-I741 VanDerWaalsContact O-CG1 3.29Å; V737-I741 WeakPolarHBondContact O-CG1 3.36Å; V737-I741 PolarHBondContact O-N 3.34Å; I741-V743 VanDerWaalsContact C-N 3.35Å; I741-V743 PolarHBondContact O-N 2.87Å; I741-I744 PolarHBondContact O-N 3.18Å; I741-L745 HydrophobicContact CG2-CD1 3.79Å; I741-L745 HydrophobicContact CG2-CG 4.23Å; I741-L745 WeakPolarHBondContact O-CB 3.24Å; I741-L745 WeakPolarHBondContact O-CG 3.18Å; I741-L745 PolarHBondContact O-N 3.34Å
742	S	92.7	Very high	91.4	Very high	56 Å²	56	88.8 Å²	88.8	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-65.1	-38.5	178.9	68.7	0	0	0	0	112	L738 A739 A740 L746	L738-S742 WeakPolarHBondContact O-CB 3.45Å; L738-S742 PolarHBondContact O-N 2.66Å; L738-S742 PolarHBondContact O-OG 2.92Å; A739-S742 WeakPolarHBondContact CA-OG 3.45Å; A739-S742 PolarHBondContact O-N 3.18Å; A739-S742 PolarHBondContact O-OG 2.86Å; A740-S742 VanDerWaalsContact C-N 3.35Å; A740-S742 PolarHBondContact O-N 2.55Å; S742-L746 VanDerWaalsContact O-CB 3.32Å; S742-L746 WeakPolarHBondContact O-CB 3.34Å; S742-L746 WeakPolarHBondContact O-CG 3.43Å; S742-L746 PolarHBondContact O-N 2.85Å
743	V	94.7	Very high	91.9	Very high	94 Å²	94	89.2 Å²	89.2	57%	0.57	48%	0.484	S	S	*	.	H	α-helix	trans	-64.4	-44.1	172.7	172	0	0	0	0	111.6	A739 A740 I741 L746 A747	A739-V743 VanDerWaalsContact O-CG2 3.31Å; A739-V743 WeakPolarHBondContact O-CG2 3.39Å; A739-V743 PolarHBondContact O-N 3.03Å; A740-V743 PolarHBondContact O-N 3.09Å; I741-V743 VanDerWaalsContact C-N 3.35Å; I741-V743 PolarHBondContact O-N 2.87Å; V743-L746 PolarHBondContact O-N 3.2Å; V743-A747 WeakPolarHBondContact O-CB 3.39Å; V743-A747 PolarHBondContact O-N 3.34Å
744	I	95.3	Very high	92.1	Very high	113 Å²	113	87.6 Å²	87.6	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-64.5	-43.9	177.8	-68.8	165	0	0	0	111	A740 I741 A747 W748	A740-I744 VanDerWaalsContact O-CG1 3.27Å; A740-I744 WeakPolarHBondContact O-CG1 3.36Å; A740-I744 PolarHBondContact O-N 3.48Å; I741-I744 PolarHBondContact O-N 3.18Å; I744-A747 PolarHBondContact O-N 2.79Å; I744-W748 VanDerWaalsContact O-CB 3.31Å; I744-W748 WeakPolarHBondContact O-CB 3.37Å; I744-W748 PolarHBondContact O-N 3.08Å
745	L	95.5	Very high	92.3	Very high	97 Å²	97	89.1 Å²	89.1	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.5	-75.7	172.5	0	0	0	111.2	I741 W748 V749	I741-L745 HydrophobicContact CG2-CD1 3.79Å; I741-L745 HydrophobicContact CG2-CG 4.23Å; I741-L745 WeakPolarHBondContact O-CB 3.24Å; I741-L745 WeakPolarHBondContact O-CG 3.18Å; I741-L745 PolarHBondContact O-N 3.34Å; L745-W748 PolarHBondContact O-N 2.91Å; L745-V749 WeakPolarHBondContact O-CB 3.41Å; L745-V749 VanDerWaalsContact O-CG2 3.28Å; L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.17Å
746	L	95.2	Very high	92.3	Very high	112 Å²	112	90.7 Å²	90.7	59%	0.586	48%	0.483	S	S	*	.	H	α-helix	trans	-58.8	-48.4	174.4	-85.5	164.7	0	0	0	111	S742 V743 W748 V749 L750	S742-L746 VanDerWaalsContact O-CB 3.32Å; S742-L746 WeakPolarHBondContact O-CB 3.34Å; S742-L746 WeakPolarHBondContact O-CG 3.43Å; S742-L746 PolarHBondContact O-N 2.85Å; V743-L746 PolarHBondContact O-N 3.2Å; L746-W748 VanDerWaalsContact C-N 3.33Å; L746-W748 PolarHBondContact O-N 3.29Å; L746-V749 PolarHBondContact O-N 3.25Å; L746-L750 WeakPolarHBondContact O-CB 3.47Å; L746-L750 PolarHBondContact O-N 2.96Å
747	A	94.4	Very high	92.2	Very high	58 Å²	58	91.8 Å²	91.8	48%	0.479	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-40.4	177.3	0	0	0	0	0	112.3	V743 I744 L750 W751	V743-A747 WeakPolarHBondContact O-CB 3.39Å; V743-A747 PolarHBondContact O-N 3.34Å; I744-A747 PolarHBondContact O-N 2.79Å; A747-L750 PolarHBondContact O-N 2.81Å; A747-W751 VanDerWaalsContact O-CB 3.24Å; A747-W751 WeakPolarHBondContact O-CB 3.24Å; A747-W751 PolarHBondContact O-N 2.93Å
748	W	94.7	Very high	91.8	Very high	129 Å²	129	90.6 Å²	90.6	49%	0.489	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-43.3	177.3	-178.4	80.6	0	0	0	112.4	I744 L745 L746 W751 R752	I744-W748 VanDerWaalsContact O-CB 3.31Å; I744-W748 WeakPolarHBondContact O-CB 3.37Å; I744-W748 PolarHBondContact O-N 3.08Å; L745-W748 PolarHBondContact O-N 2.91Å; L746-W748 VanDerWaalsContact C-N 3.33Å; L746-W748 PolarHBondContact O-N 3.29Å; W748-W751 PolarHBondContact O-N 3.25Å; W748-R752 WeakPolarHBondContact O-CB 3.36Å; W748-R752 PolarHBondContact O-N 3.18Å
749	V	94.3	Very high	91.3	Very high	71 Å²	71	95.2 Å²	95.2	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-45.9	174.5	169.7	0	0	0	0	110.3	L745 L746 W751 R752 L753	L745-V749 WeakPolarHBondContact O-CB 3.41Å; L745-V749 VanDerWaalsContact O-CG2 3.28Å; L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.17Å; L746-V749 PolarHBondContact O-N 3.25Å; V749-W751 PolarHBondContact O-N 3.23Å; V749-R752 PolarHBondContact O-N 2.7Å; V749-L753 HydrophobicContact CG1-CD1 4.1Å; V749-L753 WeakPolarHBondContact O-CB 3.42Å; V749-L753 PolarHBondContact O-N 3.45Å
750	L	94	Very high	90.7	Very high	103 Å²	103	102.8 Å²	102.8	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-46.1	176.4	-123.2	140.9	0	0	0	111.2	L746 A747 R752 L753 L754	L746-L750 WeakPolarHBondContact O-CB 3.47Å; L746-L750 PolarHBondContact O-N 2.96Å; A747-L750 PolarHBondContact O-N 2.81Å; L750-R752 PolarHBondContact O-N 3.27Å; L750-L753 PolarHBondContact O-N 3.13Å; L750-L754 HydrophobicContact CD2-CD1 4.03Å; L750-L754 HydrophobicContact CD2-CG 4.49Å; L750-L754 WeakPolarHBondContact O-CB 3.05Å; L750-L754 WeakPolarHBondContact O-CG 3.34Å; L750-L754 PolarHBondContact O-N 3.24Å
751	W	93.3	Very high	90	Very high	128 Å²	128	110.3 Å²	110.3	49%	0.485	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-41.7	177.1	178.7	75.4	0	0	0	112.5	A747 W748 V749 L754 R755	A747-W751 VanDerWaalsContact O-CB 3.24Å; A747-W751 WeakPolarHBondContact O-CB 3.24Å; A747-W751 PolarHBondContact O-N 2.93Å; W748-W751 PolarHBondContact O-N 3.25Å; V749-W751 PolarHBondContact O-N 3.23Å; W751-L754 PolarHBondContact O-N 3.45Å; W751-R755 VanDerWaalsContact CH2-CZ 3.4Å; W751-R755 WeakPolarHBondContact O-CB 3.4Å; W751-R755 PolarHBondContact O-N 3.42Å
752	R	92.7	Very high	88.8	Confident	143 Å²	143	113 Å²	113	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-42.3	177.4	-166.2	179.3	-178.3	-161.2	0.4	111.4	W748 V749 L750 R755 I756	W748-R752 WeakPolarHBondContact O-CB 3.36Å; W748-R752 PolarHBondContact O-N 3.18Å; V749-R752 PolarHBondContact O-N 2.7Å; L750-R752 PolarHBondContact O-N 3.27Å; R752-R755 PolarHBondContact O-N 3.47Å; R752-I756 HydrophobicContact CG-CD1 4.32Å; R752-I756 VanDerWaalsContact O-CG1 3.31Å; R752-I756 WeakPolarHBondContact O-CG1 3.47Å; R752-I756 PolarHBondContact O-N 3.2Å
753	L	90.7	Very high	87.1	Confident	97 Å²	97	116.4 Å²	116.4	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-58.5	-49	172.3	-94.8	161.2	0	0	0	111.2	V749 L750 R755 I756 I757	V749-L753 HydrophobicContact CG1-CD1 4.1Å; V749-L753 WeakPolarHBondContact O-CB 3.42Å; V749-L753 PolarHBondContact O-N 3.45Å; L750-L753 PolarHBondContact O-N 3.13Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 2.97Å; L753-I756 PolarHBondContact O-N 2.89Å; L753-I757 WeakPolarHBondContact O-CD1 3.42Å; L753-I757 VanDerWaalsContact O-CG1 3.26Å; L753-I757 WeakPolarHBondContact O-CG1 3.31Å; L753-I757 PolarHBondContact O-N 2.91Å
754	L	90.7	Very high	85.6	Confident	101 Å²	101	116.7 Å²	116.7	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-38	177.7	-71.1	170	0	0	0	112.3	L750 W751 I757 S758	L750-L754 HydrophobicContact CD2-CD1 4.03Å; L750-L754 HydrophobicContact CD2-CG 4.49Å; L750-L754 WeakPolarHBondContact O-CB 3.05Å; L750-L754 WeakPolarHBondContact O-CG 3.34Å; L750-L754 PolarHBondContact O-N 3.24Å; W751-L754 PolarHBondContact O-N 3.45Å; L754-I757 PolarHBondContact O-N 3.22Å; L754-S758 WeakPolarHBondContact O-CB 3.44Å; L754-S758 PolarHBondContact O-N 3.05Å; L754-S758 PolarHBondContact O-OG 2.78Å
755	R	87.6	Confident	84.1	Confident	120 Å²	120	118 Å²	118	45%	0.453	56%	0.562	S	S	.	*	H	α-helix	trans	-67.9	-38.1	174.4	-95.5	-170.9	168.3	-170.1	0.8	113.5	W751 R752 L753 I757 S758 R759	W751-R755 VanDerWaalsContact CH2-CZ 3.4Å; W751-R755 WeakPolarHBondContact O-CB 3.4Å; W751-R755 PolarHBondContact O-N 3.42Å; R752-R755 PolarHBondContact O-N 3.47Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 2.97Å; R755-I757 VanDerWaalsContact C-N 3.32Å; R755-S758 WeakPolarHBondContact CA-OG 3.29Å; R755-S758 PolarHBondContact O-N 3.02Å; R755-S758 PolarHBondContact O-OG 2.79Å; R755-S758 VanDerWaalsContact O-OG 3.07Å; R755-R759 WeakPolarHBondContact O-CB 3.48Å; R755-R759 WeakPolarHBondContact O-CG 3.14Å; R755-R759 PolarHBondContact O-N 3.19Å
756	I	85.7	Confident	81.7	Confident	83 Å²	83	120.6 Å²	120.6	43%	0.426	58%	0.576	S	S	.	*	H	α-helix	trans	-64.6	-43.7	174.8	-70.2	165.1	0	0	0	109.4	R752 L753 R759 R760	R752-I756 HydrophobicContact CG-CD1 4.32Å; R752-I756 VanDerWaalsContact O-CG1 3.31Å; R752-I756 WeakPolarHBondContact O-CG1 3.47Å; R752-I756 PolarHBondContact O-N 3.2Å; L753-I756 PolarHBondContact O-N 2.89Å; I756-R759 PolarHBondContact O-N 3.42Å; I756-R760 PolarHBondContact O-N 2.94Å; I756-R760 VanDerWaalsContact O-N 3.08Å
757	I	84.7	Confident	79.4	Confident	85 Å²	85	127.7 Å²	127.7	44%	0.436	61%	0.606	S	S	.	*	H	α-helix	trans	-63	-41.6	176.3	-66	164.6	0	0	0	111	L753 L754 R755 R761	L753-I757 WeakPolarHBondContact O-CD1 3.42Å; L753-I757 VanDerWaalsContact O-CG1 3.26Å; L753-I757 WeakPolarHBondContact O-CG1 3.31Å; L753-I757 PolarHBondContact O-N 2.91Å; L754-I757 PolarHBondContact O-N 3.22Å; R755-I757 VanDerWaalsContact C-N 3.32Å; I757-R761 PolarHBondContact O-N 2.92Å
758	S	84.5	Confident	78.6	Confident	48 Å²	48	131.2 Å²	131.2	34%	0.336	61%	0.613	S	S	.	*	H	α-helix	trans	-71.3	-37.2	178.9	73.6	0	0	0	0	113.2	L754 R755 R761 L762	L754-S758 WeakPolarHBondContact O-CB 3.44Å; L754-S758 PolarHBondContact O-N 3.05Å; L754-S758 PolarHBondContact O-OG 2.78Å; R755-S758 WeakPolarHBondContact CA-OG 3.29Å; R755-S758 PolarHBondContact O-N 3.02Å; R755-S758 PolarHBondContact O-OG 2.79Å; R755-S758 VanDerWaalsContact O-OG 3.07Å; S758-R761 WeakPolarHBondContact O-CA 3.09Å; S758-R761 WeakPolarHBondContact O-CB 3.15Å; S758-R761 PolarHBondContact O-N 3.15Å; S758-L762 PolarHBondContact O-N 2.74Å; S758-L762 VanDerWaalsContact O-N 3.15Å
759	R	78.8	Confident	77.8	Confident	180 Å²	180	131.3 Å²	131.3	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-63.3	-40.3	174.1	-78.5	-179.4	177.1	-173.8	-1.8	112.1	R755 I756 R761 L762 N763	R755-R759 WeakPolarHBondContact O-CB 3.48Å; R755-R759 WeakPolarHBondContact O-CG 3.14Å; R755-R759 PolarHBondContact O-N 3.19Å; I756-R759 PolarHBondContact O-N 3.42Å; R759-R761 PolarHBondContact O-N 2.7Å; R759-L762 PolarHBondContact O-N 3.03Å; R759-L762 VanDerWaalsContact O-N 3.16Å; R759-N763 PolarHBondContact O-N 3.29Å
760	R	78.1	Confident	76.8	Confident	209 Å²	209	134.6 Å²	134.6	79%	0.789	63%	0.63	S	S	*	*	H	α-helix	trans	-59.6	-23	171	-78.7	-174.6	176.9	-179.4	-1.3	113.2	I756	I756-R760 PolarHBondContact O-N 2.94Å; I756-R760 VanDerWaalsContact O-N 3.08Å
761	R	77.3	Confident	75.8	Confident	209 Å²	209	136.5 Å²	136.5	79%	0.789	64%	0.635	S	S	*	*	H	α-helix	trans	-88.1	-24.3	176	-70.1	-177.2	177.3	-167.4	-0.8	114.2	I757 S758 R759	I757-R761 PolarHBondContact O-N 2.92Å; S758-R761 WeakPolarHBondContact O-CA 3.09Å; S758-R761 WeakPolarHBondContact O-CB 3.15Å; S758-R761 PolarHBondContact O-N 3.15Å; R759-R761 PolarHBondContact O-N 2.7Å
762	L	69.5	Low	74.7	Confident	137 Å²	137	137 Å²	137	72%	0.717	64%	0.644	S	S	*	*	H	α-helix	trans	-104	-15.1	-169.7	-76.1	166.1	0	0	0	115	S758 R759	S758-L762 PolarHBondContact O-N 2.74Å; S758-L762 VanDerWaalsContact O-N 3.15Å; R759-L762 PolarHBondContact O-N 3.03Å; R759-L762 VanDerWaalsContact O-N 3.16Å
763	N	58.4	Low	73.5	Confident	127 Å²	127	136.6 Å²	136.6	68%	0.679	65%	0.651	S	S	*	*			trans	-124.6	88.7	166.1	-96.8	-7.5	0	0	0	109.1	R759 D765	R759-N763 PolarHBondContact O-N 3.29Å; N763-D765 PolarHBondContact O-N 3.09Å
764	P	63.3	Low	72.3	Confident	100 Å²	100	139.4 Å²	139.4	65%	0.649	66%	0.662	S	S	*	*			trans	-71.5	-11.6	170.3	25.8	-30.2	0	0	0	114.1
765	D	63.4	Low	70.9	Confident	141 Å²	141	142.4 Å²	142.4	75%	0.754	67%	0.672	S	S	*	*	S	Bend	trans	-100.5	26	-168.1	-60.9	-17.3	0	0	0	115.6	N763	N763-D765 PolarHBondContact O-N 3.09Å
766	N	45.2	Very low	69.5	Low	152 Å²	152	144.3 Å²	144.3	81%	0.813	69%	0.69	S	S	*	*			trans	-132.2	65.9	166.5	-87.7	-10.7	0	0	0	109.7
767	E	45.5	Very low	68	Low	260 Å²	260	149.8 Å²	149.8	100%	1.215	71%	0.714	S	S	*	*			trans	-95.9	0	136.3	-75.6	-172.1	160.4	0	0	107.5

Retrieved 767 of 767 residues in 212.1 ms (Link to these results)

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