A0A087XNH1_POEFO Loading...

Lysyl oxidase homolog

Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine).

AlphaFold DB , UniProt , Accession A0A087XNH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 756 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	30.7	Very low	37.4	Very low	241 Å²	241	144.2 Å²	144.2	100%	1.187	79%	0.794	S	S	*	*				0	129.6	0	-82.5	173.3	163.5	0	0	108.1
2	P	49.6	Very low	36.8	Very low	106 Å²	106	148.4 Å²	148.4	69%	0.688	80%	0.799	S	S	*	*			cis	-121.7	142.4	-40	20.5	1.2	0	0	0	111.1
3	L	35.7	Very low	37.3	Very low	145 Å²	145	146.2 Å²	146.2	76%	0.759	80%	0.797	S	S	*	*				69.9	126.4	102.7	-63.7	161	0	0	0	115.3
4	Y	30.1	Very low	37.7	Very low	225 Å²	225	152.7 Å²	152.7	88%	0.882	80%	0.804	S	S	*	*				-166.7	150	105.9	-115	-92.5	0	0	0	112.8
5	L	35.5	Very low	37.6	Very low	145 Å²	145	150.3 Å²	150.3	76%	0.759	81%	0.805	S	S	*	*			trans	-82.9	175.3	-167.7	-85.7	158.2	0	0	0	115
6	P	57.4	Low	37.6	Very low	108 Å²	108	149.9 Å²	149.9	70%	0.701	81%	0.81	S	S	*	*			trans	-87.2	-173	-176.4	39.1	-36.5	0	0	0	113.2
7	P	47.8	Very low	37.9	Very low	124 Å²	124	147.8 Å²	147.8	81%	0.805	81%	0.805	S	S	*	*				-154.5	170.6	100.8	37.6	-17.3	0	0	0	118.3
8	D	33.2	Very low	38.4	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	81%	0.806	S	S	*	*			trans	-40.8	155.2	162.2	-81.2	-48.8	0	0	0	116.8
9	N	31.3	Very low	38.7	Very low	147 Å²	147	150.2 Å²	150.2	79%	0.786	81%	0.811	S	S	*	*				163.8	151.4	88.2	-139.6	-13.6	0	0	0	114.6
10	S	29	Very low	39.1	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	81%	0.805	S	S	*	*			trans	78.9	148.1	155.1	83.2	0	0	0	0	120
11	S	31.1	Very low	39.7	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	79%	0.793	S	S	*	*			cis	-176	149.3	-25.4	52.7	0	0	0	0	109.7
12	F	30.7	Very low	40.5	Very low	195 Å²	195	144.3 Å²	144.3	86%	0.855	78%	0.777	S	S	*	*			trans	68.6	163.8	159.8	-71	-73.2	0	0	0	122.5
13	P	43.5	Very low	40.5	Very low	120 Å²	120	145.8 Å²	145.8	78%	0.779	78%	0.778	S	S	*	*			cis	-133.3	-179.2	-31.7	33.5	-13.8	0	0	0	115.2
14	R	41.9	Very low	41.3	Very low	237 Å²	237	144 Å²	144	89%	0.894	77%	0.769	S	S	*	*			trans	-79.1	147	179.2	-65.9	170.9	169.1	174.4	-4.3	114.6
15	S	36.4	Very low	42.4	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	76%	0.755	S	S	*	*				159.5	130	124.6	50	0	0	0	0	113.7
16	V	38.3	Very low	43.2	Very low	144 Å²	144	134.7 Å²	134.7	87%	0.873	74%	0.743	S	S	*	*			trans	-144.4	141.7	166.2	-179	0	0	0	0	108.8
17	P	42	Very low	42.9	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	74%	0.741	S	S	*	*			trans	-99.1	168.8	-155.7	37.5	-32.6	0	0	0	117.1	M19	P17-M19 PolarHBondContact O-N 3.16Å
18	I	46.3	Very low	43.2	Very low	160 Å²	160	134.9 Å²	134.9	82%	0.821	73%	0.73	S	S	*	*	S	Bend	trans	-84.8	14.9	-157.5	-72.2	164.6	0	0	0	116	V20	I18-V20 PolarHBondContact O-N 3.21Å
19	M	44.3	Very low	43.8	Very low	181 Å²	181	131.5 Å²	131.5	89%	0.892	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-5.5	-166.4	-128.2	176.1	179.3	0	0	117.2	P17	P17-M19 PolarHBondContact O-N 3.16Å
20	V	47.9	Very low	44.6	Very low	114 Å²	114	129.1 Å²	129.1	69%	0.691	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-13.5	-176.9	-173.1	0	0	0	0	113.4	I18 L24	I18-V20 PolarHBondContact O-N 3.21Å; V20-L24 HydrophobicContact CG1-CD1 4.4Å
21	S	51.5	Low	45.3	Very low	80 Å²	80	127.3 Å²	127.3	56%	0.559	70%	0.695	S	S	*	*	H	α-helix	trans	-79	-22.3	-171.2	-174.7	0	0	0	0	114.9
22	R	47.4	Very low	45.8	Very low	223 Å²	223	125.7 Å²	125.7	84%	0.842	69%	0.687	S	S	*	*	H	α-helix	trans	-85.3	-24.6	-174.1	-70.2	-169.1	175.7	-163	-0.7	114.7
23	L	48.8	Very low	46.2	Very low	137 Å²	137	122.1 Å²	122.1	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-77.3	-34.9	177.8	-125	85.2	0	0	0	112.2	A26 L27	L23-A26 PolarHBondContact O-N 3.05Å; L23-L27 PolarHBondContact O-N 2.84Å
24	L	52.7	Low	45.8	Very low	108 Å²	108	120.5 Å²	120.5	57%	0.565	67%	0.668	S	S	*	*	H	α-helix	trans	-68.5	-33.8	176.8	-91.5	141.9	0	0	0	112.9	V20 L28	V20-L24 HydrophobicContact CG1-CD1 4.4Å; L24-L28 WeakPolarHBondContact O-CD1 3.34Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.15Å
25	L	53.4	Low	45.6	Very low	115 Å²	115	114.1 Å²	114.1	60%	0.602	66%	0.655	S	S	*	*	H	α-helix	trans	-70.1	-33.1	177.8	-116.5	81.2	0	0	0	112.9	C29	L25-C29 PolarHBondContact O-N 3.17Å
26	A	52.8	Low	45.6	Very low	60 Å²	60	112.5 Å²	112.5	50%	0.496	65%	0.649	S	S	.	*	H	α-helix	trans	-72.5	-38.6	179.9	0	0	0	0	0	112.3	L23 L28 C29 V30	L23-A26 PolarHBondContact O-N 3.05Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-C29 PolarHBondContact O-N 2.79Å; A26-V30 PolarHBondContact O-N 3.5Å
27	L	51.6	Low	45.4	Very low	128 Å²	128	113.4 Å²	113.4	67%	0.67	64%	0.644	S	S	*	*	H	α-helix	trans	-69.1	-29.1	175.4	-91.4	128.6	0	0	0	113.3	L23 S31	L23-L27 PolarHBondContact O-N 2.84Å; L27-S31 PolarHBondContact O-OG 3.2Å
28	L	52.5	Low	45.3	Very low	108 Å²	108	112.8 Å²	112.8	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-73.9	-28.3	174.7	-77.7	162.6	0	0	0	113.2	L24 A26 S31 A32	L24-L28 WeakPolarHBondContact O-CD1 3.34Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.15Å; A26-L28 VanDerWaalsContact C-N 3.35Å; L28-S31 PolarHBondContact O-OG 3.13Å; L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.13Å
29	C	46.6	Very low	45.1	Very low	79 Å²	79	111.3 Å²	111.3	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-74	-35.5	176.2	-84	0	0	0	0	112.8	L25 A26 A32 L33	L25-C29 PolarHBondContact O-N 3.17Å; A26-C29 PolarHBondContact O-N 2.79Å; C29-A32 PolarHBondContact O-N 3.39Å; C29-L33 WeakPolarHBondContact O-CD1 3.44Å; C29-L33 PolarHBondContact O-N 2.63Å
30	V	47.1	Very low	45	Very low	98 Å²	98	107.5 Å²	107.5	59%	0.594	63%	0.633	S	S	*	*	H	α-helix	trans	-74.1	-31.8	-178.7	-175.1	0	0	0	0	111.8	A26 S34	A26-V30 PolarHBondContact O-N 3.5Å; V30-S34 PolarHBondContact O-N 3.39Å; V30-S34 PolarHBondContact O-OG 3.41Å
31	S	45.1	Very low	45.3	Very low	65 Å²	65	105.6 Å²	105.6	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-75.4	-31.5	172.4	55.8	0	0	0	0	113.3	L27 L28 T35	L27-S31 PolarHBondContact O-OG 3.2Å; L28-S31 PolarHBondContact O-OG 3.13Å; S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 2.85Å
32	A	41.3	Very low	46.1	Very low	56 Å²	56	107.3 Å²	107.3	46%	0.463	63%	0.634	S	S	.	*	H	α-helix	trans	-70.7	-32.9	173	0	0	0	0	0	113.1	L28 C29 T35 A36	L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.13Å; C29-A32 PolarHBondContact O-N 3.39Å; A32-T35 PolarHBondContact O-OG1 2.85Å; A32-A36 PolarHBondContact O-N 2.8Å
33	L	37.9	Very low	47.4	Very low	120 Å²	120	98.7 Å²	98.7	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-75.5	-30.7	175.4	-82.3	152.5	0	0	0	112.6	C29	C29-L33 WeakPolarHBondContact O-CD1 3.44Å; C29-L33 PolarHBondContact O-N 2.63Å
34	S	35.9	Very low	48.9	Very low	86 Å²	86	98.8 Å²	98.8	60%	0.601	61%	0.613	S	S	*	*	H	α-helix	trans	-76.3	-21.9	178.4	-54.6	0	0	0	0	113.6	V30	V30-S34 PolarHBondContact O-N 3.39Å; V30-S34 PolarHBondContact O-OG 3.41Å
35	T	37.3	Very low	50.6	Low	104 Å²	104	94.3 Å²	94.3	64%	0.638	59%	0.589	S	S	*	*	H	α-helix	trans	-93.5	-15.7	178.9	44.1	0	0	0	0	113.6	S31 A32 Q37	S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 2.85Å; A32-T35 PolarHBondContact O-OG1 2.85Å; T35-Q37 VanDerWaalsContact C-N 3.28Å; T35-Q37 PolarHBondContact O-N 3.42Å
36	A	36	Very low	52	Low	83 Å²	83	92.2 Å²	92.2	69%	0.686	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-0.3	176.9	0	0	0	0	0	113.9	A32	A32-A36 PolarHBondContact O-N 2.8Å
37	Q	35.2	Very low	53.9	Low	162 Å²	162	90.5 Å²	90.5	76%	0.757	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	2.4	-168.2	-146.5	142.2	18.7	0	0	114.9	T35	T35-Q37 VanDerWaalsContact C-N 3.28Å; T35-Q37 PolarHBondContact O-N 3.42Å
38	S	39.4	Very low	55.6	Low	101 Å²	101	89.5 Å²	89.5	71%	0.706	55%	0.546	S	S	*	.	S	Bend	trans	-100.1	-3.3	-178.9	61.3	0	0	0	0	116
39	D	43.3	Very low	57.5	Low	130 Å²	130	85 Å²	85	70%	0.695	52%	0.522	S	S	*	.	S	Bend	trans	-97.8	1.7	-174.6	-136.4	7.7	0	0	0	113.7
40	A	40.7	Very low	59.4	Low	101 Å²	101	81.7 Å²	81.7	84%	0.835	50%	0.502	S	S	*	.	S	Bend	trans	-100.5	23.8	-167.1	0	0	0	0	0	115.7
41	G	56	Low	61.2	Low	73 Å²	73	78.6 Å²	78.6	75%	0.753	49%	0.49	S	S	*	.	S	Bend	trans	-151.3	3	-175.1	0	0	0	0	0	118.4
42	K	67	Low	62.8	Low	116 Å²	116	83.1 Å²	83.1	50%	0.504	50%	0.504	S	S	.	.	S	Bend	trans	-101.1	142.6	-179.5	-65.9	-156.3	177.9	-160.5	0	112.1	Q126	K42-Q126 HydrophobicContact CD-CB 4.21Å; K42-Q126 HydrophobicContact CD-CG 4.12Å; K42-Q126 PolarHBondContact NZ-O 3.11Å
43	P	75.3	Confident	64.2	Low	43 Å²	43	85.6 Å²	85.6	28%	0.279	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-65.5	140.6	-178.2	23.8	-31.2	0	0	0	112.1	Y65 A125 F132	P43-Y65 HydrophobicContact CB-CD2 4.08Å; P43-Y65 HydrophobicContact CB-CE2 3.35Å; P43-Y65 HydrophobicContact CG-CE2 4.24Å; P43-A125 HydrophobicContact CG-CB 4.37Å; P43-A125 WeakPolarHBondContact O-CB 3.33Å; P43-F132 HydrophobicContact CB-CE2 4.35Å; P43-F132 HydrophobicContact CG-CD2 3.8Å; P43-F132 HydrophobicContact CG-CE2 3.29Å; P43-F132 HydrophobicContact CG-CZ 3.88Å
44	V	80.9	Confident	65.3	Low	138 Å²	138	89.1 Å²	89.1	84%	0.836	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-82.2	126	173.2	-178.6	0	0	0	0	108.8
45	I	87.2	Confident	66.9	Low	14 Å²	14	88 Å²	88	7%	0.072	49%	0.493	C	S	.	.			trans	-122.3	165.5	179.6	62.3	165.9	0	0	0	111.6	L47 V63 F64 Y65 S123 L124 A125 F132	I45-L47 HydrophobicContact CD1-CD2 4.14Å; I45-V63 HydrophobicContact CB-CG1 3.92Å; I45-V63 HydrophobicContact CD1-CG1 4.1Å; I45-V63 HydrophobicContact CG2-CG1 3.96Å; I45-F64 WeakPolarHBondContact CA-O 3.12Å; I45-Y65 HydrophobicContact CG2-CD2 4.06Å; I45-S123 WeakPolarHBondContact CG1-OG 3.36Å; I45-L124 HydrophobicContact CD1-CB 3.89Å; I45-A125 HydrophobicContact CD1-CB 3.75Å; I45-A125 HydrophobicContact CG1-CB 3.82Å; I45-A125 HydrophobicContact CG2-CB 4.02Å; I45-F132 HydrophobicContact CG2-CE1 3.59Å; I45-F132 HydrophobicContact CG2-CZ 3.56Å
46	Q	83.1	Confident	68.6	Low	72 Å²	72	87.8 Å²	87.8	34%	0.336	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.3	164.4	-59.3	170.5	40.7	0	0	109.6	V63 F64 W69 N160	Q46-V63 CarbonylContact O-C 3.55Å; Q46-V63 WeakPolarHBondContact O-CA 3.33Å; Q46-F64 HydrophobicContact CB-CB 4.02Å; Q46-F64 PolarHBondContact N-O 3.07Å; Q46-F64 PolarHBondContact O-N 2.94Å; Q46-W69 HydrophobicContact CB-CH2 4.35Å; Q46-N160 PolarHBondContact NE2-ND2 3.06Å; Q46-N160 PolarHBondContact OE1-ND2 2.72Å
47	L	92.5	Very high	70.8	Confident	23 Å²	23	84.2 Å²	84.2	12%	0.12	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.7	176.8	-63.7	-174.1	0	0	0	111.6	I45 V61 E62 V63 V85 E88 L89 L124	I45-L47 HydrophobicContact CD1-CD2 4.14Å; L47-V61 HydrophobicContact CD2-CG1 4.44Å; L47-E62 WeakPolarHBondContact CA-O 3.32Å; L47-V63 HydrophobicContact CD2-CB 4.28Å; L47-V63 HydrophobicContact CD2-CG1 4.46Å; L47-V63 HydrophobicContact CD2-CG2 3.62Å; L47-V85 HydrophobicContact CD1-CB 4.34Å; L47-V85 HydrophobicContact CD1-CG1 4.14Å; L47-V85 HydrophobicContact CD1-CG2 4.18Å; L47-E88 HydrophobicContact CD1-CB 4.05Å; L47-E88 HydrophobicContact CD1-CG 3.86Å; L47-E88 WeakPolarHBondContact CD1-OE2 3.38Å; L47-E88 HydrophobicContact CG-CG 4.32Å; L47-L89 HydrophobicContact CB-CD2 3.71Å; L47-L89 HydrophobicContact CB-CG 4.12Å; L47-L89 WeakPolarHBondContact O-CD2 3.4Å; L47-L124 HydrophobicContact CD1-CB 4.29Å; L47-L124 HydrophobicContact CD2-CD2 4.13Å
48	R	88.4	Confident	73.6	Confident	107 Å²	107	77.3 Å²	77.3	40%	0.404	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.9	162	74.2	-174.8	-178.1	-172.2	0.4	110.9	E62 W69	R48-E62 HydrophobicContact CG-CB 3.93Å; R48-E62 IonicContact CZ-OE2 3.78Å; R48-E62 PolarHBondContact N-O 3.33Å; R48-E62 IonicContact NE-OE2 3.13Å; R48-E62 PolarHBondContact NE-OE2 3.46Å; R48-E62 IonicContact NH2-OE2 3.42Å; R48-E62 PolarHBondContact NH2-OE2 3.49Å; R48-E62 PolarHBondContact O-N 3.48Å; R48-W69 HydrophobicContact CB-CH2 3.82Å; R48-W69 HydrophobicContact CB-CZ3 4.01Å; R48-W69 HydrophobicContact CG-CE3 3.98Å; R48-W69 HydrophobicContact CG-CH2 3.64Å; R48-W69 HydrophobicContact CG-CZ2 4.29Å; R48-W69 HydrophobicContact CG-CZ3 3.47Å; R48-W69 VanDerWaalsContact CG-CZ3 3.47Å
49	L	91.9	Very high	76.2	Confident	13 Å²	13	72.5 Å²	72.5	7%	0.068	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.7	168	-57.1	179.6	0	0	0	109.3	K53 R60 V61 L89 V145	L49-K53 PolarHBondContact O-NZ 3.46Å; L49-R60 CarbonylContact C-O 3.49Å; L49-R60 WeakPolarHBondContact CA-O 3.42Å; L49-V61 HydrophobicContact CD2-CG2 4.42Å; L49-L89 HydrophobicContact CD1-CD1 3.96Å; L49-L89 HydrophobicContact CD2-CD1 3.55Å; L49-L89 HydrophobicContact CG-CD1 3.56Å; L49-V145 HydrophobicContact CD1-CG2 4.31Å; L49-V145 HydrophobicContact CD2-CG2 3.46Å; L49-V145 VanDerWaalsContact CD2-CG2 3.46Å
50	G	86.8	Confident	78.8	Confident	10 Å²	10	67.3 Å²	67.3	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-171.5	178.4	0	0	0	0	0	112.8	R60	G50-R60 PolarHBondContact N-O 3.17Å; G50-R60 PolarHBondContact O-N 3.22Å
51	G	84.4	Confident	81.5	Confident	33 Å²	33	62.5 Å²	62.5	34%	0.34	32%	0.319	S	S	.	.	S	Bend	trans	80.4	-165.1	177.3	0	0	0	0	0	115.2	K53 F103	G51-K53 PolarHBondContact O-N 3.46Å; G51-F103 CarbonylContact C-O 3.55Å; G51-F103 WeakPolarHBondContact CA-O 3.46Å
52	E	78.8	Confident	83.4	Confident	161 Å²	161	59.8 Å²	59.8	75%	0.752	29%	0.286	S	S	*	.	S	Bend	trans	-76	63.9	-179.7	-64.8	-179.3	-178	0	0	111.2	F103	E52-F103 PolarHBondContact N-O 3.07Å
53	K	70.1	Confident	84.7	Confident	107 Å²	107	54.2 Å²	54.2	47%	0.465	26%	0.262	S	S	.	.			trans	-82	130.1	-178.7	62.5	-173.8	176.5	-173.1	0	111.8	L49 G51 E58	L49-K53 PolarHBondContact O-NZ 3.46Å; G51-K53 PolarHBondContact O-N 3.46Å; K53-E58 VanDerWaalsContact CB-O 3.27Å; K53-E58 WeakPolarHBondContact CB-O 3.46Å
54	R	60.8	Low	85.4	Confident	195 Å²	195	55 Å²	55	74%	0.736	26%	0.261	S	S	*	.	S	Bend	trans	-91.2	-19.6	173.3	-61.5	-177.3	178.8	-176.6	0.9	112.4	E58	R54-E58 WeakPolarHBondContact CB-OE1 3.3Å; R54-E58 PolarHBondContact N-OE1 3.23Å
55	K	70.1	Confident	85.7	Confident	61 Å²	61	51.8 Å²	51.8	27%	0.265	23%	0.234	S	C	.	.	S	Bend	trans	-127.6	151.9	178.5	-64.9	151.1	166.4	-174	0	110.5	Y57 E58	K55-Y57 HydrophobicContact CB-CD1 3.98Å; K55-Y57 HydrophobicContact CB-CD2 4.25Å; K55-Y57 HydrophobicContact CB-CE1 3.7Å; K55-Y57 HydrophobicContact CB-CE2 4.04Å; K55-Y57 HydrophobicContact CB-CG 4.24Å; K55-Y57 HydrophobicContact CD-CD2 4.48Å; K55-Y57 HydrophobicContact CD-CE1 4.23Å; K55-Y57 HydrophobicContact CD-CE2 3.6Å; K55-Y57 VanDerWaalsContact CD-CZ 3.43Å; K55-Y57 WeakPolarHBondContact CD-OH 3.23Å; K55-Y57 WeakPolarHBondContact CE-OH 3.16Å; K55-Y57 HydrophobicContact CG-CE1 4Å; K55-Y57 HydrophobicContact CG-CE2 4.22Å; K55-Y57 PolarHBondContact O-N 2.9Å; K55-Y57 VanDerWaalsContact O-N 3.16Å; K55-E58 HydrophobicContact CB-CG 3.87Å; K55-E58 VanDerWaalsContact CD-CD 3.49Å; K55-E58 HydrophobicContact CD-CG 4.47Å; K55-E58 WeakPolarHBondContact CD-OE1 3.35Å; K55-E58 VanDerWaalsContact CD-OE2 3.29Å; K55-E58 WeakPolarHBondContact CD-OE2 3.34Å; K55-E58 PolarHBondContact N-OE1 3.05Å; K55-E58 PolarHBondContact O-N 3.3Å
56	H	73.4	Confident	85.7	Confident	101 Å²	101	58 Å²	58	47%	0.468	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.3	178.5	69.9	-95.5	0	0	0	114	R151	H56-R151 PolarHBondContact CD2-NH2 3.26Å; H56-R151 VanDerWaalsContact CD2-NH2 3.32Å
57	Y	81.9	Confident	85.6	Confident	8 Å²	8	57.5 Å²	57.5	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	14.2	-178.1	57.1	-97.3	0	0	0	113.1	K55 F91 C147 Q149	K55-Y57 HydrophobicContact CB-CD1 3.98Å; K55-Y57 HydrophobicContact CB-CD2 4.25Å; K55-Y57 HydrophobicContact CB-CE1 3.7Å; K55-Y57 HydrophobicContact CB-CE2 4.04Å; K55-Y57 HydrophobicContact CB-CG 4.24Å; K55-Y57 HydrophobicContact CD-CD2 4.48Å; K55-Y57 HydrophobicContact CD-CE1 4.23Å; K55-Y57 HydrophobicContact CD-CE2 3.6Å; K55-Y57 VanDerWaalsContact CD-CZ 3.43Å; K55-Y57 WeakPolarHBondContact CD-OH 3.23Å; K55-Y57 WeakPolarHBondContact CE-OH 3.16Å; K55-Y57 HydrophobicContact CG-CE1 4Å; K55-Y57 HydrophobicContact CG-CE2 4.22Å; K55-Y57 PolarHBondContact O-N 2.9Å; K55-Y57 VanDerWaalsContact O-N 3.16Å; Y57-F91 HydrophobicContact CG-CE1 4.41Å; Y57-C147 WeakPolarHBondContact CD2-O 3.24Å; Y57-C147 WeakPolarHBondContact O-CB 3.33Å; Y57-C147 PolarHBondContact O-N 3.35Å; Y57-Q149 HydrophobicContact CD1-CG 3.92Å; Y57-Q149 HydrophobicContact CE1-CG 3.34Å; Y57-Q149 HydrophobicContact CE2-CG 3.98Å; Y57-Q149 HydrophobicContact CG-CG 4.48Å; Y57-Q149 PolarHBondContact OH-NE2 3.22Å
58	E	92.8	Very high	85.4	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.4	171.7	76.2	-165.9	176	0	0	110.9	K53 R54 K55 F103 V145 V146	K53-E58 VanDerWaalsContact CB-O 3.27Å; K53-E58 WeakPolarHBondContact CB-O 3.46Å; R54-E58 WeakPolarHBondContact CB-OE1 3.3Å; R54-E58 PolarHBondContact N-OE1 3.23Å; K55-E58 HydrophobicContact CB-CG 3.87Å; K55-E58 VanDerWaalsContact CD-CD 3.49Å; K55-E58 HydrophobicContact CD-CG 4.47Å; K55-E58 WeakPolarHBondContact CD-OE1 3.35Å; K55-E58 VanDerWaalsContact CD-OE2 3.29Å; K55-E58 WeakPolarHBondContact CD-OE2 3.34Å; K55-E58 PolarHBondContact N-OE1 3.05Å; K55-E58 PolarHBondContact O-N 3.3Å; E58-F103 HydrophobicContact CB-CE1 4.2Å; E58-F103 HydrophobicContact CB-CZ 4.09Å; E58-F103 HydrophobicContact CG-CE1 3.82Å; E58-F103 HydrophobicContact CG-CZ 4.21Å; E58-V145 WeakPolarHBondContact CA-O 3.37Å; E58-V145 WeakPolarHBondContact CB-O 3.03Å; E58-V146 HydrophobicContact CB-CB 4.34Å; E58-V146 HydrophobicContact CB-CG1 4.26Å; E58-V146 HydrophobicContact CB-CG2 4.07Å
59	G	93.9	Very high	85.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149	179.3	174.3	0	0	0	0	0	113.1	G144 V145	G59-G144 CarbonylContact O-C 3.49Å; G59-G144 WeakPolarHBondContact O-CA 3.2Å; G59-V145 PolarHBondContact N-O 3.45Å; G59-V145 VanDerWaalsContact N-O 3.07Å; G59-V145 PolarHBondContact O-N 2.75Å
60	R	97.9	Very high	85.8	Confident	22 Å²	22	58.4 Å²	58.4	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.3	173.7	-179.8	178.2	58.3	-114.9	6	110.1	L49 G50 E62 F103 G104 K105 D142 V143	L49-R60 CarbonylContact C-O 3.49Å; L49-R60 WeakPolarHBondContact CA-O 3.42Å; G50-R60 PolarHBondContact N-O 3.17Å; G50-R60 PolarHBondContact O-N 3.22Å; R60-E62 IonicContact CZ-OE1 3.7Å; R60-E62 IonicContact NE-OE1 3.66Å; R60-E62 PolarHBondContact NE-OE1 3.3Å; R60-E62 VanDerWaalsContact NE-OE1 3.12Å; R60-E62 IonicContact NH2-OE1 3.98Å; R60-E62 PolarHBondContact NH2-OE1 3.26Å; R60-E62 PolarHBondContact O-N 3.39Å; R60-F103 HydrophobicContact CB-CB 4.28Å; R60-F103 PolarHBondContact NH1-O 3.48Å; R60-G104 PolarHBondContact NH1-O 3.46Å; R60-K105 VanDerWaalsContact NH1-C 3.32Å; R60-K105 PolarHBondContact NH1-O 3.14Å; R60-D142 HydrophobicContact CG-CB 4.1Å; R60-V143 WeakPolarHBondContact CA-O 3.47Å
61	V	97.5	Very high	86.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.3	178.4	-174.6	0	0	0	0	109.3	L47 L49 V72 V85 L124 V143 V145	L47-V61 HydrophobicContact CD2-CG1 4.44Å; L49-V61 HydrophobicContact CD2-CG2 4.42Å; V61-V72 HydrophobicContact CB-CG2 4.39Å; V61-V72 HydrophobicContact CG1-CG2 3.94Å; V61-V85 HydrophobicContact CG1-CG1 4.2Å; V61-V85 HydrophobicContact CG1-CG2 4.23Å; V61-V85 HydrophobicContact CG2-CG1 4.08Å; V61-L124 HydrophobicContact CG1-CD2 4.44Å; V61-V143 HydrophobicContact CB-CG1 4.04Å; V61-V143 HydrophobicContact CG2-CG1 3.99Å; V61-V143 PolarHBondContact N-O 3.22Å; V61-V145 HydrophobicContact CG2-CB 4.37Å; V61-V145 HydrophobicContact CG2-CG1 3.69Å; V61-V145 HydrophobicContact CG2-CG2 3.96Å
62	E	96.5	Very high	87	Confident	15 Å²	15	56.5 Å²	56.5	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.4	174	-66.6	179.3	-176.7	0	0	110	L47 R48 R60 W69 G70 T71	L47-E62 WeakPolarHBondContact CA-O 3.32Å; R48-E62 HydrophobicContact CG-CB 3.93Å; R48-E62 IonicContact CZ-OE2 3.78Å; R48-E62 PolarHBondContact N-O 3.33Å; R48-E62 IonicContact NE-OE2 3.13Å; R48-E62 PolarHBondContact NE-OE2 3.46Å; R48-E62 IonicContact NH2-OE2 3.42Å; R48-E62 PolarHBondContact NH2-OE2 3.49Å; R48-E62 PolarHBondContact O-N 3.48Å; R60-E62 IonicContact CZ-OE1 3.7Å; R60-E62 IonicContact NE-OE1 3.66Å; R60-E62 PolarHBondContact NE-OE1 3.3Å; R60-E62 VanDerWaalsContact NE-OE1 3.12Å; R60-E62 IonicContact NH2-OE1 3.98Å; R60-E62 PolarHBondContact NH2-OE1 3.26Å; R60-E62 PolarHBondContact O-N 3.39Å; E62-W69 HydrophobicContact CB-CE3 3.87Å; E62-W69 HydrophobicContact CB-CZ3 4.27Å; E62-W69 WeakPolarHBondContact O-CZ3 3.44Å; E62-G70 CarbonylContact C-O 3.41Å; E62-G70 VanDerWaalsContact CA-O 3.3Å; E62-G70 WeakPolarHBondContact CA-O 3.06Å; E62-T71 HydrophobicContact CG-CG2 4.36Å
63	V	95.3	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.9	-177.3	-177.1	0	0	0	0	108.8	I45 Q46 L47 W69 G70 V72 W111 L112 L124 F132	I45-V63 HydrophobicContact CB-CG1 3.92Å; I45-V63 HydrophobicContact CD1-CG1 4.1Å; I45-V63 HydrophobicContact CG2-CG1 3.96Å; Q46-V63 CarbonylContact O-C 3.55Å; Q46-V63 WeakPolarHBondContact O-CA 3.33Å; L47-V63 HydrophobicContact CD2-CB 4.28Å; L47-V63 HydrophobicContact CD2-CG1 4.46Å; L47-V63 HydrophobicContact CD2-CG2 3.62Å; V63-W69 VanDerWaalsContact C-CE3 3.46Å; V63-W69 WeakPolarHBondContact O-CA 3.3Å; V63-G70 PolarHBondContact N-O 3.28Å; V63-G70 PolarHBondContact O-N 3.36Å; V63-V72 HydrophobicContact CG2-CG2 3.43Å; V63-V72 VanDerWaalsContact CG2-CG2 3.43Å; V63-W111 HydrophobicContact CB-CB 4.32Å; V63-W111 PolarHBondContact O-NE1 2.8Å; V63-L112 HydrophobicContact CG2-CD1 4.13Å; V63-L124 HydrophobicContact CG2-CD2 4.28Å; V63-F132 HydrophobicContact CG1-CE1 4.21Å
64	F	88.4	Confident	89.1	Confident	60 Å²	60	44.4 Å²	44.4	26%	0.263	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.1	169	-168.6	-109.2	0	0	0	109.2	I45 Q46 G67 W69	I45-F64 WeakPolarHBondContact CA-O 3.12Å; Q46-F64 HydrophobicContact CB-CB 4.02Å; Q46-F64 PolarHBondContact N-O 3.07Å; Q46-F64 PolarHBondContact O-N 2.94Å; F64-G67 WeakPolarHBondContact CE2-O 3.48Å; F64-G67 WeakPolarHBondContact CZ-O 3.01Å; F64-W69 HydrophobicContact CB-CD2 3.82Å; F64-W69 HydrophobicContact CB-CE3 3.8Å; F64-W69 HydrophobicContact CB-CH2 3.78Å; F64-W69 HydrophobicContact CB-CZ2 3.8Å; F64-W69 HydrophobicContact CB-CZ3 3.76Å; F64-W69 AromaticContact CD2-CD1 3.5Å; F64-W69 VanDerWaalsContact CD2-CD1 3.5Å; F64-W69 AromaticContact CD2-CD2 3.81Å; F64-W69 HydrophobicContact CD2-CD2 3.81Å; F64-W69 AromaticContact CD2-CE2 3.65Å; F64-W69 AromaticContact CD2-CG 3.73Å; F64-W69 HydrophobicContact CD2-CG 3.73Å; F64-W69 HydrophobicContact CD2-CZ2 4.32Å; F64-W69 AromaticContact CD2-NE1 3.43Å; F64-W69 AromaticContact CE2-CD1 3.94Å; F64-W69 AromaticContact CE2-NE1 3.94Å; F64-W69 HydrophobicContact CG-CD2 4.27Å; F64-W69 HydrophobicContact CG-CZ2 4.27Å
65	Y	88.9	Confident	90.8	Very high	69 Å²	69	38.2 Å²	38.2	27%	0.271	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.8	179.1	-180	-112.9	0	0	0	110	P43 I45 G67 E68 W111 F132	P43-Y65 HydrophobicContact CB-CD2 4.08Å; P43-Y65 HydrophobicContact CB-CE2 3.35Å; P43-Y65 HydrophobicContact CG-CE2 4.24Å; I45-Y65 HydrophobicContact CG2-CD2 4.06Å; Y65-G67 PolarHBondContact O-N 3.36Å; Y65-G67 VanDerWaalsContact O-N 3.13Å; Y65-E68 PolarHBondContact N-O 3.24Å; Y65-E68 PolarHBondContact O-N 3.26Å; Y65-E68 VanDerWaalsContact O-N 3.13Å; Y65-E68 VanDerWaalsContact O-O 3.06Å; Y65-W111 HydrophobicContact CD1-CD2 4.26Å; Y65-W111 AromaticContact CD1-CE3 3.9Å; Y65-W111 HydrophobicContact CD1-CE3 3.9Å; Y65-W111 HydrophobicContact CD1-CH2 4.13Å; Y65-W111 HydrophobicContact CD1-CZ2 4.44Å; Y65-W111 AromaticContact CD1-CZ3 3.85Å; Y65-W111 HydrophobicContact CD1-CZ3 3.85Å; Y65-W111 HydrophobicContact CE1-CZ3 4.42Å; Y65-W111 WeakPolarHBondContact O-CZ2 3.24Å; Y65-F132 HydrophobicContact CD1-CB 3.9Å; Y65-F132 AromaticContact CD1-CD1 3.4Å; Y65-F132 HydrophobicContact CD1-CD1 3.4Å; Y65-F132 HydrophobicContact CD1-CE1 4.19Å; Y65-F132 AromaticContact CD1-CG 3.86Å; Y65-F132 HydrophobicContact CD1-CG 3.86Å; Y65-F132 HydrophobicContact CD2-CD1 4.04Å; Y65-F132 HydrophobicContact CD2-CE1 4.06Å; Y65-F132 HydrophobicContact CE1-CB 3.55Å; Y65-F132 AromaticContact CE1-CD1 3.8Å; Y65-F132 HydrophobicContact CE1-CD1 3.8Å; Y65-F132 AromaticContact CE1-CG 3.75Å; Y65-F132 HydrophobicContact CE1-CG 3.75Å; Y65-F132 HydrophobicContact CE2-CD1 4.42Å; Y65-F132 AromaticContact CG-CD1 3.51Å; Y65-F132 HydrophobicContact CG-CD1 3.51Å; Y65-F132 AromaticContact CG-CE1 3.82Å; Y65-F132 HydrophobicContact CG-CE1 3.82Å; Y65-F132 HydrophobicContact CG-CG 4.27Å
66	N	85.9	Confident	91.8	Very high	144 Å²	144	39.8 Å²	39.8	77%	0.77	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	36.3	179.6	-156.2	26.9	0	0	0	115.3
67	G	81.6	Confident	92.9	Very high	62 Å²	62	35.3 Å²	35.3	64%	0.639	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	0.7	176.4	0	0	0	0	0	115.6	F64 Y65	F64-G67 WeakPolarHBondContact CE2-O 3.48Å; F64-G67 WeakPolarHBondContact CZ-O 3.01Å; Y65-G67 PolarHBondContact O-N 3.36Å; Y65-G67 VanDerWaalsContact O-N 3.13Å
68	E	88.6	Confident	93.6	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.402	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.6	-175.4	-176.9	177.4	-160	0	0	111.5	Y65 R109 W111	Y65-E68 PolarHBondContact N-O 3.24Å; Y65-E68 PolarHBondContact O-N 3.26Å; Y65-E68 VanDerWaalsContact O-N 3.13Å; Y65-E68 VanDerWaalsContact O-O 3.06Å; E68-R109 IonicContact OE2-NE 3.16Å; E68-R109 PolarHBondContact OE2-NE 3.35Å; E68-R109 VanDerWaalsContact OE2-NE 3.16Å; E68-W111 HydrophobicContact CB-CZ2 4.21Å; E68-W111 PolarHBondContact O-NE1 2.89Å
69	W	93	Very high	93.8	Very high	75 Å²	75	39.5 Å²	39.5	28%	0.284	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.2	172.1	-75.8	97.7	0	0	0	110	Q46 R48 E62 V63 F64	Q46-W69 HydrophobicContact CB-CH2 4.35Å; R48-W69 HydrophobicContact CB-CH2 3.82Å; R48-W69 HydrophobicContact CB-CZ3 4.01Å; R48-W69 HydrophobicContact CG-CE3 3.98Å; R48-W69 HydrophobicContact CG-CH2 3.64Å; R48-W69 HydrophobicContact CG-CZ2 4.29Å; R48-W69 HydrophobicContact CG-CZ3 3.47Å; R48-W69 VanDerWaalsContact CG-CZ3 3.47Å; E62-W69 HydrophobicContact CB-CE3 3.87Å; E62-W69 HydrophobicContact CB-CZ3 4.27Å; E62-W69 WeakPolarHBondContact O-CZ3 3.44Å; V63-W69 VanDerWaalsContact C-CE3 3.46Å; V63-W69 WeakPolarHBondContact O-CA 3.3Å; F64-W69 HydrophobicContact CB-CD2 3.82Å; F64-W69 HydrophobicContact CB-CE3 3.8Å; F64-W69 HydrophobicContact CB-CH2 3.78Å; F64-W69 HydrophobicContact CB-CZ2 3.8Å; F64-W69 HydrophobicContact CB-CZ3 3.76Å; F64-W69 AromaticContact CD2-CD1 3.5Å; F64-W69 VanDerWaalsContact CD2-CD1 3.5Å; F64-W69 AromaticContact CD2-CD2 3.81Å; F64-W69 HydrophobicContact CD2-CD2 3.81Å; F64-W69 AromaticContact CD2-CE2 3.65Å; F64-W69 AromaticContact CD2-CG 3.73Å; F64-W69 HydrophobicContact CD2-CG 3.73Å; F64-W69 HydrophobicContact CD2-CZ2 4.32Å; F64-W69 AromaticContact CD2-NE1 3.43Å; F64-W69 AromaticContact CE2-CD1 3.94Å; F64-W69 AromaticContact CE2-NE1 3.94Å; F64-W69 HydrophobicContact CG-CD2 4.27Å; F64-W69 HydrophobicContact CG-CZ2 4.27Å
70	G	95.2	Very high	93.9	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	173.2	173.4	0	0	0	0	0	111.2	E62 V63 R109 W111	E62-G70 CarbonylContact C-O 3.41Å; E62-G70 VanDerWaalsContact CA-O 3.3Å; E62-G70 WeakPolarHBondContact CA-O 3.06Å; V63-G70 PolarHBondContact N-O 3.28Å; V63-G70 PolarHBondContact O-N 3.36Å; G70-R109 CarbonylContact C-O 3.52Å; G70-R109 WeakPolarHBondContact CA-O 3.11Å; G70-W111 VanDerWaalsContact N-CD1 3.27Å
71	T	97.8	Very high	93.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-179.5	-173.1	59.3	0	0	0	0	112.7	E62 R109 W111 H139 D142	E62-T71 HydrophobicContact CG-CG2 4.36Å; T71-R109 PolarHBondContact N-O 2.69Å; T71-W111 PolarHBondContact O-N 2.86Å; T71-H139 PolarHBondContact OG1-CE1 3.44Å; T71-H139 PolarHBondContact OG1-ND1 3.27Å; T71-D142 WeakPolarHBondContact CB-OD1 3.27Å; T71-D142 PolarHBondContact OG1-OD1 3.32Å
72	V	98	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	175.8	-178.8	0	0	0	0	107.8	V61 V63 F77 L112 V115 L124 D142 V143	V61-V72 HydrophobicContact CB-CG2 4.39Å; V61-V72 HydrophobicContact CG1-CG2 3.94Å; V63-V72 HydrophobicContact CG2-CG2 3.43Å; V63-V72 VanDerWaalsContact CG2-CG2 3.43Å; V72-F77 HydrophobicContact CG1-CD2 4.2Å; V72-F77 HydrophobicContact CG1-CE2 4.12Å; V72-L112 WeakPolarHBondContact CA-O 3.45Å; V72-L112 HydrophobicContact CB-CB 4.49Å; V72-L112 HydrophobicContact CG1-CB 3.96Å; V72-L112 HydrophobicContact CG2-CB 4.18Å; V72-L112 HydrophobicContact CG2-CD1 4.4Å; V72-V115 HydrophobicContact CG1-CG2 3.86Å; V72-L124 HydrophobicContact CG2-CD2 4.24Å; V72-D142 WeakPolarHBondContact O-CA 3.44Å; V72-V143 HydrophobicContact CB-CG1 3.8Å; V72-V143 HydrophobicContact CG1-CG1 3.9Å; V72-V143 WeakPolarHBondContact O-CG1 3.46Å; V72-V143 PolarHBondContact O-N 2.84Å
73	C	97.6	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-72.2	151.5	176	-169.9	0	0	0	0	111.7	I110 L112 D113 C137 E141	C73-I110 HydrophobicContact CB-CG2 4.21Å; C73-L112 PolarHBondContact N-O 2.77Å; C73-D113 HydrophobicContact CB-CB 4.28Å; C73-D113 WeakPolarHBondContact CB-OD1 3.29Å; C73-C137 HydrophobicContact CB-CB 3.7Å; C73-C137 WeakPolarHBondContact CB-SG 3.35Å; C73-C137 WeakPolarHBondContact SG-CB 3.44Å; C73-C137 CovalentContact SG-SG 2.02Å; C73-C137 PolarHBondContact SG-SG 3.49Å; C73-E141 CarbonylContact C-O 3.54Å; C73-E141 WeakPolarHBondContact CA-O 2.99Å
74	D	96.6	Very high	94	Very high	14 Å²	14	41.8 Å²	41.8	8%	0.075	23%	0.226	C	C	.	.			trans	-86.3	-10.9	178.1	65.8	-5.3	0	0	0	114.1	D76 F77 W97 A99 S100 E141 V143	D74-D76 PolarHBondContact O-N 2.81Å; D74-F77 VanDerWaalsContact O-CB 3.24Å; D74-F77 WeakPolarHBondContact O-CB 3.49Å; D74-F77 PolarHBondContact O-N 2.91Å; D74-W97 HydrophobicContact CB-CZ3 4.24Å; D74-A99 HydrophobicContact CB-CB 4.18Å; D74-A99 VanDerWaalsContact OD2-CA 3.23Å; D74-A99 WeakPolarHBondContact OD2-CA 3.39Å; D74-A99 WeakPolarHBondContact OD2-CB 3.43Å; D74-S100 PolarHBondContact OD2-N 2.71Å; D74-E141 WeakPolarHBondContact CB-O 3.44Å; D74-E141 PolarHBondContact N-O 2.95Å; D74-E141 WeakPolarHBondContact OD1-CB 3.16Å; D74-E141 VanDerWaalsContact OD1-O 3.13Å; D74-V143 HydrophobicContact CB-CB 3.84Å; D74-V143 HydrophobicContact CB-CG2 3.89Å
75	D	95.9	Very high	94.4	Very high	66 Å²	66	38.9 Å²	38.9	35%	0.353	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	126.6	173.6	-84.4	-3.9	0	0	0	111.3	F77 N114	D75-F77 PolarHBondContact O-N 2.62Å; D75-N114 WeakPolarHBondContact O-CA 3.2Å
76	D	91.1	Very high	94.7	Very high	93 Å²	93	35.6 Å²	35.6	50%	0.497	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	10.5	-174.8	-74.6	-38.1	0	0	0	115.7	D74 N114 H116	D74-D76 PolarHBondContact O-N 2.81Å; D76-N114 HydrophobicContact CB-CB 4.4Å; D76-N114 PolarHBondContact OD2-ND2 3.36Å; D76-H116 VanDerWaalsContact CB-CE1 3.4Å; D76-H116 WeakPolarHBondContact CB-CE1 3.41Å; D76-H116 IonicContact OD2-CE1 3.88Å; D76-H116 IonicContact OD2-NE2 3.94Å
77	F	96.8	Very high	95	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	18%	0.177	C	C	.	.			trans	-68.7	141.4	176	-160.6	-85.3	0	0	0	110	V72 D74 D75 A81 A82 V85 W97 V115 V143 V145	V72-F77 HydrophobicContact CG1-CD2 4.2Å; V72-F77 HydrophobicContact CG1-CE2 4.12Å; D74-F77 VanDerWaalsContact O-CB 3.24Å; D74-F77 WeakPolarHBondContact O-CB 3.49Å; D74-F77 PolarHBondContact O-N 2.91Å; D75-F77 PolarHBondContact O-N 2.62Å; F77-A81 HydrophobicContact CD1-CB 4.24Å; F77-A81 HydrophobicContact CD2-CB 4.09Å; F77-A81 HydrophobicContact CE1-CB 3.95Å; F77-A81 HydrophobicContact CE2-CB 3.77Å; F77-A81 HydrophobicContact CG-CB 4.31Å; F77-A81 HydrophobicContact CZ-CB 3.7Å; F77-A82 HydrophobicContact CE1-CB 4.05Å; F77-V85 HydrophobicContact CZ-CG2 4.25Å; F77-W97 HydrophobicContact CB-CE3 4.46Å; F77-W97 HydrophobicContact CB-CZ3 4.26Å; F77-W97 HydrophobicContact CD1-CB 4.33Å; F77-W97 AromaticContact CD1-CD2 3.97Å; F77-W97 HydrophobicContact CD1-CD2 3.97Å; F77-W97 AromaticContact CD1-CE3 3.89Å; F77-W97 HydrophobicContact CD1-CE3 3.89Å; F77-W97 HydrophobicContact CD1-CG 4.17Å; F77-W97 HydrophobicContact CE1-CB 4.16Å; F77-W97 HydrophobicContact CE1-CG 4.43Å; F77-W97 WeakPolarHBondContact O-CH2 3.4Å; F77-W97 WeakPolarHBondContact O-CZ2 3.47Å; F77-V115 HydrophobicContact CD2-CB 4.17Å; F77-V143 HydrophobicContact CB-CG2 4.08Å; F77-V143 HydrophobicContact CD1-CG2 3.56Å; F77-V143 HydrophobicContact CD2-CB 4.41Å; F77-V143 HydrophobicContact CD2-CG1 3.93Å; F77-V143 HydrophobicContact CD2-CG2 4.12Å; F77-V143 HydrophobicContact CE1-CG2 3.93Å; F77-V143 HydrophobicContact CE2-CG1 3.83Å; F77-V143 HydrophobicContact CE2-CG2 4.46Å; F77-V143 HydrophobicContact CG-CB 4.38Å; F77-V143 HydrophobicContact CG-CG1 4.34Å; F77-V143 HydrophobicContact CG-CG2 3.66Å; F77-V143 HydrophobicContact CZ-CG1 4.15Å; F77-V143 HydrophobicContact CZ-CG2 4.37Å; F77-V145 HydrophobicContact CE1-CG1 4.1Å; F77-V145 HydrophobicContact CZ-CG1 4.2Å
78	S	95.7	Very high	95.4	Very high	35 Å²	35	31.1 Å²	31.1	25%	0.245	16%	0.156	C	C	.	.			trans	-135.5	167.8	-172.8	66.3	0	0	0	0	112.7	S80 A81 A82	S78-S80 PolarHBondContact O-N 2.78Å; S78-A81 WeakPolarHBondContact O-CB 3.4Å; S78-A81 PolarHBondContact O-N 3.06Å; S78-A81 PolarHBondContact OG-N 3.04Å; S78-A82 PolarHBondContact O-N 2.92Å
79	I	97.1	Very high	95.3	Very high	77 Å²	77	28 Å²	28	40%	0.395	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-28.3	173.5	-166	64.6	0	0	0	112	A82 Q83 A94	I79-A82 HydrophobicContact CD1-CB 4.24Å; I79-A82 WeakPolarHBondContact O-CB 3.09Å; I79-A82 PolarHBondContact O-N 3.25Å; I79-Q83 WeakPolarHBondContact O-CB 3.38Å; I79-Q83 PolarHBondContact O-N 3.24Å; I79-A94 HydrophobicContact CD1-CB 4.08Å
80	S	97.3	Very high	94.6	Very high	42 Å²	42	24.5 Å²	24.5	29%	0.294	13%	0.128	S	C	.	.	H	α-helix	trans	-66.8	-40.6	174.2	-59.4	0	0	0	0	111.8	S78 Q83 V84 C117	S78-S80 PolarHBondContact O-N 2.78Å; S80-Q83 WeakPolarHBondContact O-CB 3.46Å; S80-Q83 PolarHBondContact O-N 3.46Å; S80-V84 PolarHBondContact O-N 2.78Å; S80-C117 WeakPolarHBondContact CB-O 3.32Å
81	A	97.3	Very high	94.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-40.8	172.5	0	0	0	0	0	111.5	F77 S78 Q83 V84 V85 V115 C117	F77-A81 HydrophobicContact CD1-CB 4.24Å; F77-A81 HydrophobicContact CD2-CB 4.09Å; F77-A81 HydrophobicContact CE1-CB 3.95Å; F77-A81 HydrophobicContact CE2-CB 3.77Å; F77-A81 HydrophobicContact CG-CB 4.31Å; F77-A81 HydrophobicContact CZ-CB 3.7Å; S78-A81 WeakPolarHBondContact O-CB 3.4Å; S78-A81 PolarHBondContact O-N 3.06Å; S78-A81 PolarHBondContact OG-N 3.04Å; A81-Q83 VanDerWaalsContact C-N 3.28Å; A81-Q83 PolarHBondContact O-N 2.02Å; A81-V84 WeakPolarHBondContact O-CB 3.38Å; A81-V84 PolarHBondContact O-N 2.89Å; A81-V84 VanDerWaalsContact O-N 3.13Å; A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 3.08Å; A81-V115 HydrophobicContact CB-CG1 4.35Å; A81-C117 VanDerWaalsContact CA-SG 3.52Å; A81-C117 HydrophobicContact CB-CB 4.04Å; A81-C117 VanDerWaalsContact CB-SG 3.56Å
82	A	97.4	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-39.4	172.6	0	0	0	0	0	112.1	F77 S78 I79 V84 V85 C86 A94 W97 V145	F77-A82 HydrophobicContact CE1-CB 4.05Å; S78-A82 PolarHBondContact O-N 2.92Å; I79-A82 HydrophobicContact CD1-CB 4.24Å; I79-A82 WeakPolarHBondContact O-CB 3.09Å; I79-A82 PolarHBondContact O-N 3.25Å; A82-V84 VanDerWaalsContact C-N 3.32Å; A82-V84 PolarHBondContact O-N 3.34Å; A82-V85 PolarHBondContact O-N 3.11Å; A82-C86 WeakPolarHBondContact O-CB 3Å; A82-C86 PolarHBondContact O-N 3.2Å; A82-C86 PolarHBondContact O-SG 2.89Å; A82-C86 VanDerWaalsContact O-SG 3.41Å; A82-A94 HydrophobicContact CB-CB 3.76Å; A82-W97 HydrophobicContact CB-CB 3.95Å; A82-V145 HydrophobicContact CB-CB 4.5Å; A82-V145 HydrophobicContact CB-CG1 3.8Å
83	Q	97.1	Very high	93	Very high	42 Å²	42	31.4 Å²	31.4	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.1	176.3	-171.4	72.6	4	0	0	111.3	I79 S80 A81 R87 D93 A94	I79-Q83 WeakPolarHBondContact O-CB 3.38Å; I79-Q83 PolarHBondContact O-N 3.24Å; S80-Q83 WeakPolarHBondContact O-CB 3.46Å; S80-Q83 PolarHBondContact O-N 3.46Å; A81-Q83 VanDerWaalsContact C-N 3.28Å; A81-Q83 PolarHBondContact O-N 2.02Å; Q83-R87 WeakPolarHBondContact O-CB 3.26Å; Q83-R87 PolarHBondContact O-N 3.03Å; Q83-D93 PolarHBondContact NE2-OD1 2.7Å; Q83-A94 HydrophobicContact CB-CB 4.44Å
84	V	97	Very high	92.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-48.8	174.7	177	0	0	0	0	110.3	S80 A81 A82 C86 R87 E88 C117 E121	S80-V84 PolarHBondContact O-N 2.78Å; A81-V84 WeakPolarHBondContact O-CB 3.38Å; A81-V84 PolarHBondContact O-N 2.89Å; A81-V84 VanDerWaalsContact O-N 3.13Å; A82-V84 VanDerWaalsContact C-N 3.32Å; A82-V84 PolarHBondContact O-N 3.34Å; V84-C86 PolarHBondContact O-N 2.83Å; V84-R87 PolarHBondContact O-N 2.03Å; V84-E88 WeakPolarHBondContact O-CB 3.36Å; V84-E88 PolarHBondContact O-N 2.9Å; V84-C117 HydrophobicContact CG2-CB 3.96Å; V84-E121 HydrophobicContact CG1-CB 4.08Å; V84-E121 HydrophobicContact CG2-CB 3.92Å; V84-E121 WeakPolarHBondContact CG2-OE2 3.39Å
85	V	96.6	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-51.2	177.7	171.1	0	0	0	0	111.4	L47 V61 F77 A81 A82 R87 E88 L89 L124 V145	L47-V85 HydrophobicContact CD1-CB 4.34Å; L47-V85 HydrophobicContact CD1-CG1 4.14Å; L47-V85 HydrophobicContact CD1-CG2 4.18Å; V61-V85 HydrophobicContact CG1-CG1 4.2Å; V61-V85 HydrophobicContact CG1-CG2 4.23Å; V61-V85 HydrophobicContact CG2-CG1 4.08Å; F77-V85 HydrophobicContact CZ-CG2 4.25Å; A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 3.08Å; A82-V85 PolarHBondContact O-N 3.11Å; V85-R87 PolarHBondContact O-N 3.48Å; V85-E88 CarbonylContact O-C 3.5Å; V85-E88 PolarHBondContact O-N 2.66Å; V85-L89 HydrophobicContact CG1-CD1 3.66Å; V85-L89 HydrophobicContact CG1-CG 4.45Å; V85-L89 WeakPolarHBondContact O-CB 3.42Å; V85-L89 VanDerWaalsContact O-CG 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.35Å; V85-L124 HydrophobicContact CG2-CD1 3.76Å; V85-L124 HydrophobicContact CG2-CD2 3.95Å; V85-L124 HydrophobicContact CG2-CG 4.36Å; V85-V145 HydrophobicContact CB-CG1 4.44Å; V85-V145 HydrophobicContact CG1-CG1 4.25Å; V85-V145 HydrophobicContact CG1-CG2 3.79Å
86	C	95	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-40.4	-178.4	-73.8	0	0	0	0	111.9	A82 V84 L89 G90 F91 A94 C147	A82-C86 WeakPolarHBondContact O-CB 3Å; A82-C86 PolarHBondContact O-N 3.2Å; A82-C86 PolarHBondContact O-SG 2.89Å; A82-C86 VanDerWaalsContact O-SG 3.41Å; V84-C86 PolarHBondContact O-N 2.83Å; C86-L89 CarbonylContact O-C 3.55Å; C86-L89 PolarHBondContact O-N 2.67Å; C86-G90 PolarHBondContact O-N 3.49Å; C86-F91 HydrophobicContact CB-CB 4.24Å; C86-F91 WeakPolarHBondContact O-CB 3.43Å; C86-F91 PolarHBondContact O-N 3.45Å; C86-A94 HydrophobicContact CB-CB 4.13Å; C86-C147 WeakPolarHBondContact CA-SG 3.31Å; C86-C147 HydrophobicContact CB-CB 3.7Å; C86-C147 WeakPolarHBondContact CB-SG 3.49Å; C86-C147 WeakPolarHBondContact SG-CA 3.37Å; C86-C147 WeakPolarHBondContact SG-CB 3.06Å; C86-C147 CovalentContact SG-SG 2.04Å; C86-C147 PolarHBondContact SG-SG 3.46Å
87	R	92.7	Very high	93	Very high	72 Å²	72	35 Å²	35	27%	0.272	19%	0.185	S	C	.	.	H	α-helix	trans	-66.7	-41	174.2	-179.2	166.5	67.7	-137.7	-5.4	112.2	Q83 V84 V85 L89 G90 F91 G119 A120 E121 I152 F155	Q83-R87 WeakPolarHBondContact O-CB 3.26Å; Q83-R87 PolarHBondContact O-N 3.03Å; V84-R87 PolarHBondContact O-N 2.03Å; V85-R87 PolarHBondContact O-N 3.48Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 2.75Å; R87-G90 PolarHBondContact O-N 3.32Å; R87-F91 WeakPolarHBondContact CA-O 3.31Å; R87-G119 VanDerWaalsContact CZ-O 3.3Å; R87-G119 PolarHBondContact NH1-O 2.84Å; R87-G119 PolarHBondContact NH2-O 3.26Å; R87-A120 PolarHBondContact NH2-O 3.42Å; R87-E121 PolarHBondContact NH2-O 3.47Å; R87-I152 HydrophobicContact CB-CD1 4.34Å; R87-I152 HydrophobicContact CG-CD1 3.69Å; R87-F155 WeakPolarHBondContact O-CE2 3.4Å; R87-F155 WeakPolarHBondContact O-CZ 3.28Å
88	E	90.7	Very high	92.9	Very high	40 Å²	40	35.1 Å²	35.1	19%	0.187	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-22.6	176.2	-177	170.3	-163.1	0	0	112.7	L47 V84 V85 S123 L124 F155	L47-E88 HydrophobicContact CD1-CB 4.05Å; L47-E88 HydrophobicContact CD1-CG 3.86Å; L47-E88 WeakPolarHBondContact CD1-OE2 3.38Å; L47-E88 HydrophobicContact CG-CG 4.32Å; V84-E88 WeakPolarHBondContact O-CB 3.36Å; V84-E88 PolarHBondContact O-N 2.9Å; V85-E88 CarbonylContact O-C 3.5Å; V85-E88 PolarHBondContact O-N 2.66Å; E88-S123 VanDerWaalsContact OE1-CB 3.29Å; E88-S123 WeakPolarHBondContact OE1-CB 3.23Å; E88-S123 PolarHBondContact OE1-OG 2.88Å; E88-S123 WeakPolarHBondContact OE2-CA 3.48Å; E88-S123 PolarHBondContact OE2-OG 3.48Å; E88-L124 PolarHBondContact OE2-N 3.15Å; E88-F155 VanDerWaalsContact O-CZ 3.26Å; E88-F155 WeakPolarHBondContact O-CZ 3.11Å
89	L	85.6	Confident	92.9	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-93.6	-8	172.1	-70.9	169.9	0	0	0	114.1	L47 L49 V85 C86 R87 F91 R151 F155	L47-L89 HydrophobicContact CB-CD2 3.71Å; L47-L89 HydrophobicContact CB-CG 4.12Å; L47-L89 WeakPolarHBondContact O-CD2 3.4Å; L49-L89 HydrophobicContact CD1-CD1 3.96Å; L49-L89 HydrophobicContact CD2-CD1 3.55Å; L49-L89 HydrophobicContact CG-CD1 3.56Å; V85-L89 HydrophobicContact CG1-CD1 3.66Å; V85-L89 HydrophobicContact CG1-CG 4.45Å; V85-L89 WeakPolarHBondContact O-CB 3.42Å; V85-L89 VanDerWaalsContact O-CG 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.35Å; C86-L89 CarbonylContact O-C 3.55Å; C86-L89 PolarHBondContact O-N 2.67Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 2.75Å; L89-F91 HydrophobicContact CB-CD2 3.94Å; L89-F91 HydrophobicContact CB-CE2 3.97Å; L89-R151 PolarHBondContact O-NH1 3.07Å; L89-R151 VanDerWaalsContact O-NH1 3.16Å; L89-F155 VanDerWaalsContact C-CE1 3.42Å
90	G	79.3	Confident	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	12	169.2	0	0	0	0	0	119.1	C86 R87 R151 I152	C86-G90 PolarHBondContact O-N 3.49Å; R87-G90 PolarHBondContact O-N 3.32Å; G90-R151 VanDerWaalsContact O-CA 3.32Å; G90-R151 WeakPolarHBondContact O-CA 3.29Å; G90-R151 VanDerWaalsContact O-CD 3.23Å; G90-R151 WeakPolarHBondContact O-CD 3.19Å; G90-I152 PolarHBondContact O-N 2.93Å
91	F	86.1	Confident	92.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-90.3	148.8	172.3	-55.8	-75.1	0	0	0	109	Y57 C86 R87 L89 D93 C147 S148 K150 R151 I152	Y57-F91 HydrophobicContact CG-CE1 4.41Å; C86-F91 HydrophobicContact CB-CB 4.24Å; C86-F91 WeakPolarHBondContact O-CB 3.43Å; C86-F91 PolarHBondContact O-N 3.45Å; R87-F91 WeakPolarHBondContact CA-O 3.31Å; L89-F91 HydrophobicContact CB-CD2 3.94Å; L89-F91 HydrophobicContact CB-CE2 3.97Å; F91-D93 VanDerWaalsContact C-N 3.27Å; F91-D93 PolarHBondContact O-N 2.71Å; F91-C147 HydrophobicContact CB-CB 3.52Å; F91-C147 HydrophobicContact CD1-CB 4.1Å; F91-C147 HydrophobicContact CD2-CB 3.44Å; F91-C147 VanDerWaalsContact CD2-CB 3.44Å; F91-C147 VanDerWaalsContact CD2-SG 3.54Å; F91-C147 HydrophobicContact CE2-CB 4.1Å; F91-C147 HydrophobicContact CG-CB 3.4Å; F91-S148 WeakPolarHBondContact CD1-O 3.43Å; F91-K150 CarbonylContact C-O 3.51Å; F91-K150 WeakPolarHBondContact CA-O 3.23Å; F91-R151 VanDerWaalsContact CE1-NH2 3.31Å; F91-R151 VanDerWaalsContact CE2-NH1 3.3Å; F91-I152 WeakPolarHBondContact O-CD1 3.32Å; F91-I152 WeakPolarHBondContact O-CG1 3.23Å
92	M	82.6	Confident	92.4	Very high	74 Å²	74	41.9 Å²	41.9	37%	0.365	23%	0.225	S	C	.	.	S	Bend	trans	-61.8	-41.7	-179	-75.2	-172.5	65.3	0	0	111.1	K150 I152	M92-K150 HydrophobicContact CB-CB 4.24Å; M92-K150 HydrophobicContact CG-CB 3.93Å; M92-K150 WeakPolarHBondContact CG-O 3.47Å; M92-K150 PolarHBondContact N-O 3.3Å; M92-K150 HydrophobicContact SD-CB 3.59Å; M92-K150 VanDerWaalsContact SD-CB 3.59Å; M92-K150 HydrophobicContact SD-CD 4.17Å; M92-K150 HydrophobicContact SD-CG 4.49Å; M92-I152 HydrophobicContact CB-CG1 4.37Å; M92-I152 HydrophobicContact CG-CG1 3.96Å
93	D	87.5	Confident	92.1	Very high	71 Å²	71	42.6 Å²	42.6	38%	0.38	23%	0.228	S	C	.	.			trans	-147.3	160.3	-170.2	-56.2	-67.9	0	0	0	111.1	Q83 F91 C147 S148	Q83-D93 PolarHBondContact NE2-OD1 2.7Å; F91-D93 VanDerWaalsContact C-N 3.27Å; F91-D93 PolarHBondContact O-N 2.71Å; D93-C147 CarbonylContact O-C 3.52Å; D93-S148 PolarHBondContact N-OG 3.05Å; D93-S148 VanDerWaalsContact N-OG 3.13Å; D93-S148 PolarHBondContact O-N 3.11Å; D93-S148 PolarHBondContact O-OG 2.77Å
94	A	94.3	Very high	91.9	Very high	15 Å²	15	41.5 Å²	41.5	12%	0.124	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.8	161.5	0	0	0	0	0	109.5	I79 A82 Q83 C86	I79-A94 HydrophobicContact CD1-CB 4.08Å; A82-A94 HydrophobicContact CB-CB 3.76Å; Q83-A94 HydrophobicContact CB-CB 4.44Å; C86-A94 HydrophobicContact CB-CB 4.13Å
95	V	93.8	Very high	91.7	Very high	97 Å²	97	48.1 Å²	48.1	59%	0.588	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	-42.6	173.9	175.1	0	0	0	0	109.7	V146	V95-V146 HydrophobicContact CB-CG1 4.3Å; V95-V146 PolarHBondContact N-O 2.89Å
96	S	95.8	Very high	91.5	Very high	49 Å²	49	48.4 Å²	48.4	34%	0.343	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	175.8	175.6	62.6	0	0	0	0	111.3	V146	S96-V146 PolarHBondContact N-O 2.86Å; S96-V146 VanDerWaalsContact N-O 3.11Å; S96-V146 PolarHBondContact O-N 2.94Å; S96-V146 WeakPolarHBondContact OG-CB 3.02Å
97	W	97.4	Very high	91.1	Very high	89 Å²	89	56.8 Å²	56.8	34%	0.337	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	164.4	168.5	68.6	-82.7	0	0	0	109.7	D74 F77 A82 A99 V143 G144 V145	D74-W97 HydrophobicContact CB-CZ3 4.24Å; F77-W97 HydrophobicContact CB-CE3 4.46Å; F77-W97 HydrophobicContact CB-CZ3 4.26Å; F77-W97 HydrophobicContact CD1-CB 4.33Å; F77-W97 AromaticContact CD1-CD2 3.97Å; F77-W97 HydrophobicContact CD1-CD2 3.97Å; F77-W97 AromaticContact CD1-CE3 3.89Å; F77-W97 HydrophobicContact CD1-CE3 3.89Å; F77-W97 HydrophobicContact CD1-CG 4.17Å; F77-W97 HydrophobicContact CE1-CB 4.16Å; F77-W97 HydrophobicContact CE1-CG 4.43Å; F77-W97 WeakPolarHBondContact O-CH2 3.4Å; F77-W97 WeakPolarHBondContact O-CZ2 3.47Å; A82-W97 HydrophobicContact CB-CB 3.95Å; W97-A99 HydrophobicContact CH2-CB 4.44Å; W97-A99 HydrophobicContact CZ3-CB 3.87Å; W97-V143 HydrophobicContact CE3-CG2 3.71Å; W97-V143 HydrophobicContact CZ3-CG2 4.16Å; W97-G144 CarbonylContact C-O 3.04Å; W97-G144 WeakPolarHBondContact CA-O 3.35Å; W97-G144 WeakPolarHBondContact CB-O 2.94Å; W97-V145 HydrophobicContact CB-CG1 4.33Å
98	A	94.8	Very high	91	Very high	9 Å²	9	56.3 Å²	56.3	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132	-175.6	0	0	0	0	0	110.9	K102 F103 V143 G144	A98-K102 HydrophobicContact CB-CB 3.79Å; A98-K102 HydrophobicContact CB-CD 3.57Å; A98-K102 HydrophobicContact CB-CG 4.26Å; A98-F103 HydrophobicContact CB-CD2 4.42Å; A98-F103 HydrophobicContact CB-CE2 3.87Å; A98-V143 WeakPolarHBondContact O-CG2 3.5Å; A98-G144 PolarHBondContact N-O 2.96Å; A98-G144 PolarHBondContact O-N 3.36Å
99	A	95.4	Very high	91.2	Very high	39 Å²	39	60.4 Å²	60.4	32%	0.322	33%	0.33	S	S	.	.			trans	-89.1	176.5	173.6	0	0	0	0	0	111.5	D74 W97 A101 K102	D74-A99 HydrophobicContact CB-CB 4.18Å; D74-A99 VanDerWaalsContact OD2-CA 3.23Å; D74-A99 WeakPolarHBondContact OD2-CA 3.39Å; D74-A99 WeakPolarHBondContact OD2-CB 3.43Å; W97-A99 HydrophobicContact CH2-CB 4.44Å; W97-A99 HydrophobicContact CZ3-CB 3.87Å; A99-A101 VanDerWaalsContact C-N 3.35Å; A99-A101 PolarHBondContact O-N 3.4Å; A99-K102 PolarHBondContact O-N 3.3Å
100	S	94.6	Very high	91.7	Very high	91 Å²	91	60.3 Å²	60.3	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	40	166.4	-49.9	0	0	0	0	114	D74 K102 S140	D74-S100 PolarHBondContact OD2-N 2.71Å; S100-K102 PolarHBondContact O-N 3.12Å; S100-K102 VanDerWaalsContact O-N 3.15Å; S100-S140 CarbonylContact C-O 3.51Å; S100-S140 WeakPolarHBondContact CA-O 3.49Å
101	A	92.9	Very high	92.5	Very high	12 Å²	12	61 Å²	61	10%	0.099	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.7	178.7	0	0	0	0	0	113.7	A99 F103 G104 K105 H139 S140 D142	A99-A101 VanDerWaalsContact C-N 3.35Å; A99-A101 PolarHBondContact O-N 3.4Å; A101-F103 PolarHBondContact O-N 3.33Å; A101-G104 CarbonylContact O-C 3.23Å; A101-G104 WeakPolarHBondContact O-CA 3.38Å; A101-G104 PolarHBondContact O-N 3Å; A101-K105 HydrophobicContact CB-CG 3.88Å; A101-H139 VanDerWaalsContact CB-O 3.31Å; A101-H139 WeakPolarHBondContact CB-O 3.34Å; A101-S140 PolarHBondContact N-O 2.8Å; A101-D142 VanDerWaalsContact CA-O 3.23Å; A101-D142 WeakPolarHBondContact CA-O 3.46Å; A101-D142 HydrophobicContact CB-CB 4.35Å; A101-D142 PolarHBondContact N-O 2.95Å; A101-D142 VanDerWaalsContact N-O 3.07Å
102	K	93.1	Very high	93	Very high	153 Å²	153	60.9 Å²	60.9	67%	0.665	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-33.9	-179.7	-177.9	179.1	-178.6	176.2	0	113.9	A98 A99 S100 G104	A98-K102 HydrophobicContact CB-CB 3.79Å; A98-K102 HydrophobicContact CB-CD 3.57Å; A98-K102 HydrophobicContact CB-CG 4.26Å; A99-K102 PolarHBondContact O-N 3.3Å; S100-K102 PolarHBondContact O-N 3.12Å; S100-K102 VanDerWaalsContact O-N 3.15Å; K102-G104 VanDerWaalsContact C-N 3.29Å
103	F	92.6	Very high	93.7	Very high	16 Å²	16	57.3 Å²	57.3	7%	0.07	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	25.3	178.6	-60.8	-76.9	0	0	0	112.7	G51 E52 E58 R60 A98 A101 V146	G51-F103 CarbonylContact C-O 3.55Å; G51-F103 WeakPolarHBondContact CA-O 3.46Å; E52-F103 PolarHBondContact N-O 3.07Å; E58-F103 HydrophobicContact CB-CE1 4.2Å; E58-F103 HydrophobicContact CB-CZ 4.09Å; E58-F103 HydrophobicContact CG-CE1 3.82Å; E58-F103 HydrophobicContact CG-CZ 4.21Å; R60-F103 HydrophobicContact CB-CB 4.28Å; R60-F103 PolarHBondContact NH1-O 3.48Å; A98-F103 HydrophobicContact CB-CD2 4.42Å; A98-F103 HydrophobicContact CB-CE2 3.87Å; A101-F103 PolarHBondContact O-N 3.33Å; F103-V146 HydrophobicContact CZ-CG2 3.98Å
104	G	92.3	Very high	94.1	Very high	19 Å²	19	55.7 Å²	55.7	20%	0.196	31%	0.305	C	S	.	.			trans	87	158.8	-174.1	0	0	0	0	0	112.5	R60 A101 K102	R60-G104 PolarHBondContact NH1-O 3.46Å; A101-G104 CarbonylContact O-C 3.23Å; A101-G104 WeakPolarHBondContact O-CA 3.38Å; A101-G104 PolarHBondContact O-N 3Å; K102-G104 VanDerWaalsContact C-N 3.29Å
105	K	93.6	Very high	94.2	Very high	139 Å²	139	55 Å²	55	60%	0.604	30%	0.299	S	S	*	.			trans	-77.4	143.9	176.9	-58.2	-170.3	-179.3	177.6	0	110.8	R60 A101 H139	R60-K105 VanDerWaalsContact NH1-C 3.32Å; R60-K105 PolarHBondContact NH1-O 3.14Å; A101-K105 HydrophobicContact CB-CG 3.88Å; K105-H139 HydrophobicContact CB-CB 4.07Å; K105-H139 VanDerWaalsContact CG-O 3.31Å; K105-H139 WeakPolarHBondContact CG-O 2.91Å
106	G	91.1	Very high	94.3	Very high	6 Å²	6	54.6 Å²	54.6	6%	0.062	29%	0.291	C	S	.	.			trans	-83.1	-176.5	165.3	0	0	0	0	0	112	H139 D142	G106-H139 PolarHBondContact O-CD2 3.25Å; G106-H139 VanDerWaalsContact O-CD2 3.26Å; G106-D142 WeakPolarHBondContact CA-OD2 3.44Å; G106-D142 PolarHBondContact N-OD2 3.28Å
107	E	86.7	Confident	94.2	Very high	177 Å²	177	53 Å²	53	83%	0.827	28%	0.279	S	S	*	.			trans	-137.4	152.6	176.8	-63.5	-177	164.5	0	0	109.1	H139	E107-H139 VanDerWaalsContact C-NE2 3.29Å; E107-H139 WeakPolarHBondContact CA-NE2 3.42Å
108	G	91.1	Very high	94	Very high	61 Å²	61	54 Å²	54	63%	0.629	30%	0.296	S	S	*	.	S	Bend	trans	90.2	-132.2	176	0	0	0	0	0	113.2	H139	G108-H139 PolarHBondContact N-NE2 3.33Å; G108-H139 PolarHBondContact O-NE2 3.41Å; G108-H139 VanDerWaalsContact O-NE2 3.15Å
109	R	93.8	Very high	93.8	Very high	127 Å²	127	54.3 Å²	54.3	48%	0.479	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.1	-175.3	-69.7	-176.1	-172.1	-93.2	-0.8	111.8	E68 G70 T71 W111	E68-R109 IonicContact OE2-NE 3.16Å; E68-R109 PolarHBondContact OE2-NE 3.35Å; E68-R109 VanDerWaalsContact OE2-NE 3.16Å; G70-R109 CarbonylContact C-O 3.52Å; G70-R109 WeakPolarHBondContact CA-O 3.11Å; T71-R109 PolarHBondContact N-O 2.69Å; R109-W111 HydrophobicContact CB-CD2 4.42Å; R109-W111 HydrophobicContact CB-CZ2 4.43Å; R109-W111 VanDerWaalsContact CD-CZ2 3.48Å
110	I	96.9	Very high	93.5	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.097	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.4	160.9	-53.2	-179.2	0	0	0	106.4	C73 C137	C73-I110 HydrophobicContact CB-CG2 4.21Å; I110-C137 HydrophobicContact CD1-CB 3.91Å; I110-C137 WeakPolarHBondContact CD1-O 3.43Å
111	W	96.8	Very high	93.5	Very high	14 Å²	14	53 Å²	53	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-33	-172.9	-81.4	131.1	0	0	0	113.5	V63 Y65 E68 G70 T71 R109 F132 G133	V63-W111 HydrophobicContact CB-CB 4.32Å; V63-W111 PolarHBondContact O-NE1 2.8Å; Y65-W111 HydrophobicContact CD1-CD2 4.26Å; Y65-W111 AromaticContact CD1-CE3 3.9Å; Y65-W111 HydrophobicContact CD1-CE3 3.9Å; Y65-W111 HydrophobicContact CD1-CH2 4.13Å; Y65-W111 HydrophobicContact CD1-CZ2 4.44Å; Y65-W111 AromaticContact CD1-CZ3 3.85Å; Y65-W111 HydrophobicContact CD1-CZ3 3.85Å; Y65-W111 HydrophobicContact CE1-CZ3 4.42Å; Y65-W111 WeakPolarHBondContact O-CZ2 3.24Å; E68-W111 HydrophobicContact CB-CZ2 4.21Å; E68-W111 PolarHBondContact O-NE1 2.89Å; G70-W111 VanDerWaalsContact N-CD1 3.27Å; T71-W111 PolarHBondContact O-N 2.86Å; R109-W111 HydrophobicContact CB-CD2 4.42Å; R109-W111 HydrophobicContact CB-CZ2 4.43Å; R109-W111 VanDerWaalsContact CD-CZ2 3.48Å; W111-F132 HydrophobicContact CB-CD1 4.38Å; W111-F132 HydrophobicContact CE3-CB 4.45Å; W111-F132 HydrophobicContact CE3-CD1 4.48Å; W111-F132 CarbonylContact O-C 3.57Å; W111-F132 VanDerWaalsContact O-CA 3.24Å; W111-F132 WeakPolarHBondContact O-CA 3.33Å; W111-G133 PolarHBondContact O-N 2.94Å
112	L	97.1	Very high	93.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.4	-174.8	-67.1	174.2	0	0	0	110.3	V63 V72 C73 V115 L124 F132	V63-L112 HydrophobicContact CG2-CD1 4.13Å; V72-L112 WeakPolarHBondContact CA-O 3.45Å; V72-L112 HydrophobicContact CB-CB 4.49Å; V72-L112 HydrophobicContact CG1-CB 3.96Å; V72-L112 HydrophobicContact CG2-CB 4.18Å; V72-L112 HydrophobicContact CG2-CD1 4.4Å; C73-L112 PolarHBondContact N-O 2.77Å; L112-V115 HydrophobicContact CB-CG2 3.68Å; L112-L124 HydrophobicContact CD1-CD2 3.73Å; L112-L124 HydrophobicContact CD1-CG 3.94Å; L112-F132 HydrophobicContact CD1-CE1 4.48Å; L112-F132 HydrophobicContact CD1-CZ 4.47Å; L112-F132 HydrophobicContact CD2-CD1 4.12Å; L112-F132 HydrophobicContact CD2-CD2 4.16Å; L112-F132 HydrophobicContact CD2-CE1 3.93Å; L112-F132 HydrophobicContact CD2-CE2 3.96Å; L112-F132 HydrophobicContact CD2-CG 4.23Å; L112-F132 HydrophobicContact CD2-CZ 3.85Å; L112-F132 HydrophobicContact CG-CE1 4.23Å; L112-F132 HydrophobicContact CG-CZ 4.46Å
113	D	96.9	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.			trans	-148.4	151.8	-176.9	-161.1	-1.8	0	0	0	110.2	C73 V115 S129 N130 S135 D136 C137	C73-D113 HydrophobicContact CB-CB 4.28Å; C73-D113 WeakPolarHBondContact CB-OD1 3.29Å; D113-V115 VanDerWaalsContact C-N 3.34Å; D113-V115 PolarHBondContact O-N 3Å; D113-S129 WeakPolarHBondContact O-CA 3.17Å; D113-S129 VanDerWaalsContact O-CB 3.3Å; D113-S129 WeakPolarHBondContact O-CB 3.21Å; D113-N130 PolarHBondContact O-N 3.41Å; D113-N130 VanDerWaalsContact O-N 3.11Å; D113-S135 VanDerWaalsContact CG-OG 3.31Å; D113-S135 WeakPolarHBondContact OD2-CA 3.34Å; D113-S135 VanDerWaalsContact OD2-CB 3.23Å; D113-S135 WeakPolarHBondContact OD2-CB 3.18Å; D113-S135 PolarHBondContact OD2-OG 3.05Å; D113-D136 PolarHBondContact OD2-N 3.13Å; D113-C137 PolarHBondContact OD1-SG 3.06Å; D113-C137 VanDerWaalsContact OD1-SG 3.41Å; D113-C137 PolarHBondContact OD2-SG 2.75Å; D113-C137 VanDerWaalsContact OD2-SG 3.39Å
114	N	95.6	Very high	93.2	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	29%	0.292	C	S	.	.	S	Bend	trans	44.3	55.6	-170	-61.1	75.3	0	0	0	112.1	D75 D76 H116 N130	D75-N114 WeakPolarHBondContact O-CA 3.2Å; D76-N114 HydrophobicContact CB-CB 4.4Å; D76-N114 PolarHBondContact OD2-ND2 3.36Å; N114-H116 PolarHBondContact O-CD2 3.13Å; N114-H116 PolarHBondContact O-N 3.45Å; N114-N130 PolarHBondContact OD1-ND2 2.79Å
115	V	96.3	Very high	93.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	29%	0.286	C	S	.	.			trans	-79.2	105.9	-172.7	-177.6	0	0	0	0	111.2	V72 F77 A81 L112 D113 L124 C127 E128	V72-V115 HydrophobicContact CG1-CG2 3.86Å; F77-V115 HydrophobicContact CD2-CB 4.17Å; A81-V115 HydrophobicContact CB-CG1 4.35Å; L112-V115 HydrophobicContact CB-CG2 3.68Å; D113-V115 VanDerWaalsContact C-N 3.34Å; D113-V115 PolarHBondContact O-N 3Å; V115-L124 HydrophobicContact CG1-CD1 3.79Å; V115-L124 HydrophobicContact CG1-CG 4.39Å; V115-C127 HydrophobicContact CG1-CB 3.91Å; V115-E128 WeakPolarHBondContact CA-O 3.48Å
116	H	94.7	Very high	93.2	Very high	88 Å²	88	49 Å²	49	41%	0.407	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-104.4	109.5	178	-68.3	-67.7	0	0	0	112.1	D76 N114 C127 E128	D76-H116 VanDerWaalsContact CB-CE1 3.4Å; D76-H116 WeakPolarHBondContact CB-CE1 3.41Å; D76-H116 IonicContact OD2-CE1 3.88Å; D76-H116 IonicContact OD2-NE2 3.94Å; N114-H116 PolarHBondContact O-CD2 3.13Å; N114-H116 PolarHBondContact O-N 3.45Å; H116-C127 WeakPolarHBondContact O-CB 3.48Å; H116-E128 HydrophobicContact CB-CB 4.32Å; H116-E128 PolarHBondContact N-O 2.87Å; H116-E128 PolarHBondContact O-N 2.76Å
117	C	95.3	Very high	93.4	Very high	15 Å²	15	49.1 Å²	49.1	10%	0.101	27%	0.27	C	S	.	.			trans	-114.1	144.6	174.8	-54.3	0	0	0	0	111.4	S80 A81 V84 G119 C127	S80-C117 WeakPolarHBondContact CB-O 3.32Å; A81-C117 VanDerWaalsContact CA-SG 3.52Å; A81-C117 HydrophobicContact CB-CB 4.04Å; A81-C117 VanDerWaalsContact CB-SG 3.56Å; V84-C117 HydrophobicContact CG2-CB 3.96Å; C117-G119 VanDerWaalsContact C-N 3.3Å; C117-C127 HydrophobicContact CB-CB 4.06Å; C117-C127 WeakPolarHBondContact CB-SG 3.45Å; C117-C127 WeakPolarHBondContact SG-CB 3.35Å; C117-C127 CovalentContact SG-SG 2.03Å; C117-C127 PolarHBondContact SG-SG 2.98Å
118	T	93.1	Very high	93.7	Very high	112 Å²	112	47.7 Å²	47.7	69%	0.687	26%	0.263	S	S	*	.			trans	-76.3	-18.8	167.9	63.5	0	0	0	0	112.6	A120 E121	T118-A120 PolarHBondContact OG1-N 3.21Å; T118-E121 WeakPolarHBondContact CB-OE1 3.21Å; T118-E121 PolarHBondContact N-OE1 2.74Å; T118-E121 PolarHBondContact N-OE2 3.04Å; T118-E121 PolarHBondContact OG1-OE1 2.82Å; T118-E121 PolarHBondContact OG1-OE2 3.46Å
119	G	89.7	Confident	93.9	Very high	14 Å²	14	46.5 Å²	46.5	14%	0.144	25%	0.245	C	C	.	.	S	Bend	trans	93.6	-3.8	-175.8	0	0	0	0	0	113.4	R87 C117 E121	R87-G119 VanDerWaalsContact CZ-O 3.3Å; R87-G119 PolarHBondContact NH1-O 2.84Å; R87-G119 PolarHBondContact NH2-O 3.26Å; C117-G119 VanDerWaalsContact C-N 3.3Å; G119-E121 PolarHBondContact N-OE2 2.69Å
120	A	89.3	Confident	93.8	Very high	78 Å²	78	44.3 Å²	44.3	65%	0.645	24%	0.243	S	C	*	.			trans	-102.1	-8.6	-179.8	0	0	0	0	0	113.7	R87 T118	R87-A120 PolarHBondContact NH2-O 3.42Å; T118-A120 PolarHBondContact OG1-N 3.21Å
121	E	94.1	Very high	93.6	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.117	25%	0.251	C	S	.	.			trans	-62.9	143.9	-179	-62.4	80.3	-174.3	0	0	111.9	V84 R87 T118 G119 Q126	V84-E121 HydrophobicContact CG1-CB 4.08Å; V84-E121 HydrophobicContact CG2-CB 3.92Å; V84-E121 WeakPolarHBondContact CG2-OE2 3.39Å; R87-E121 PolarHBondContact NH2-O 3.47Å; T118-E121 WeakPolarHBondContact CB-OE1 3.21Å; T118-E121 PolarHBondContact N-OE1 2.74Å; T118-E121 PolarHBondContact N-OE2 3.04Å; T118-E121 PolarHBondContact OG1-OE1 2.82Å; T118-E121 PolarHBondContact OG1-OE2 3.46Å; G119-E121 PolarHBondContact N-OE2 2.69Å; E121-Q126 HydrophobicContact CB-CB 4.09Å; E121-Q126 HydrophobicContact CG-CB 4.13Å
122	K	86	Confident	93.4	Very high	168 Å²	168	46.1 Å²	46.1	73%	0.73	26%	0.258	S	S	*	.	S	Bend	trans	-81.9	-22.1	178.3	-69.3	178.2	-177.6	170	0	112.9
123	S	91.8	Very high	93.1	Very high	21 Å²	21	47.8 Å²	47.8	15%	0.147	28%	0.275	C	S	.	.	S	Bend	trans	-146.1	148.9	178.7	176.2	0	0	0	0	110.4	I45 E88 A125 Q126	I45-S123 WeakPolarHBondContact CG1-OG 3.36Å; E88-S123 VanDerWaalsContact OE1-CB 3.29Å; E88-S123 WeakPolarHBondContact OE1-CB 3.23Å; E88-S123 PolarHBondContact OE1-OG 2.88Å; E88-S123 WeakPolarHBondContact OE2-CA 3.48Å; E88-S123 PolarHBondContact OE2-OG 3.48Å; S123-A125 PolarHBondContact O-N 2.94Å; S123-A125 PolarHBondContact OG-N 2.86Å; S123-Q126 VanDerWaalsContact O-CB 3.26Å; S123-Q126 WeakPolarHBondContact O-CB 3.47Å; S123-Q126 PolarHBondContact O-N 2.8Å
124	L	94.9	Very high	93	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58.7	-30.3	176.7	-164.7	67	0	0	0	112.1	I45 L47 V61 V63 V72 V85 E88 L112 V115 Q126 C127	I45-L124 HydrophobicContact CD1-CB 3.89Å; L47-L124 HydrophobicContact CD1-CB 4.29Å; L47-L124 HydrophobicContact CD2-CD2 4.13Å; V61-L124 HydrophobicContact CG1-CD2 4.44Å; V63-L124 HydrophobicContact CG2-CD2 4.28Å; V72-L124 HydrophobicContact CG2-CD2 4.24Å; V85-L124 HydrophobicContact CG2-CD1 3.76Å; V85-L124 HydrophobicContact CG2-CD2 3.95Å; V85-L124 HydrophobicContact CG2-CG 4.36Å; E88-L124 PolarHBondContact OE2-N 3.15Å; L112-L124 HydrophobicContact CD1-CD2 3.73Å; L112-L124 HydrophobicContact CD1-CG 3.94Å; V115-L124 HydrophobicContact CG1-CD1 3.79Å; V115-L124 HydrophobicContact CG1-CG 4.39Å; L124-Q126 PolarHBondContact O-N 3.05Å; L124-Q126 VanDerWaalsContact O-N 3.11Å; L124-C127 WeakPolarHBondContact O-CB 3.21Å; L124-C127 PolarHBondContact O-N 3.35Å; L124-C127 VanDerWaalsContact O-N 3.08Å
125	A	92.9	Very high	92.9	Very high	9 Å²	9	52.3 Å²	52.3	7%	0.074	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-64	-14.3	173.6	0	0	0	0	0	113.5	P43 I45 S123 F132	P43-A125 HydrophobicContact CG-CB 4.37Å; P43-A125 WeakPolarHBondContact O-CB 3.33Å; I45-A125 HydrophobicContact CD1-CB 3.75Å; I45-A125 HydrophobicContact CG1-CB 3.82Å; I45-A125 HydrophobicContact CG2-CB 4.02Å; S123-A125 PolarHBondContact O-N 2.94Å; S123-A125 PolarHBondContact OG-N 2.86Å; A125-F132 HydrophobicContact CB-CE2 4.31Å; A125-F132 HydrophobicContact CB-CZ 3.93Å
126	Q	93.4	Very high	92.8	Very high	57 Å²	57	58.8 Å²	58.8	27%	0.266	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-88.3	-14.2	176.9	-56.4	-177.6	-25.6	0	0	113.1	K42 E121 S123 L124	K42-Q126 HydrophobicContact CD-CB 4.21Å; K42-Q126 HydrophobicContact CD-CG 4.12Å; K42-Q126 PolarHBondContact NZ-O 3.11Å; E121-Q126 HydrophobicContact CB-CB 4.09Å; E121-Q126 HydrophobicContact CG-CB 4.13Å; S123-Q126 VanDerWaalsContact O-CB 3.26Å; S123-Q126 WeakPolarHBondContact O-CB 3.47Å; S123-Q126 PolarHBondContact O-N 2.8Å; L124-Q126 PolarHBondContact O-N 3.05Å; L124-Q126 VanDerWaalsContact O-N 3.11Å
127	C	94.5	Very high	92.9	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.054	33%	0.326	C	S	.	.	S	Bend	trans	-71.7	154.7	175.1	-58	0	0	0	0	111	V115 H116 C117 L124	V115-C127 HydrophobicContact CG1-CB 3.91Å; H116-C127 WeakPolarHBondContact O-CB 3.48Å; C117-C127 HydrophobicContact CB-CB 4.06Å; C117-C127 WeakPolarHBondContact CB-SG 3.45Å; C117-C127 WeakPolarHBondContact SG-CB 3.35Å; C117-C127 CovalentContact SG-SG 2.03Å; C117-C127 PolarHBondContact SG-SG 2.98Å; L124-C127 WeakPolarHBondContact O-CB 3.21Å; L124-C127 PolarHBondContact O-N 3.35Å; L124-C127 VanDerWaalsContact O-N 3.08Å
128	E	94.6	Very high	92.9	Very high	147 Å²	147	61.9 Å²	61.9	69%	0.687	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-70.9	140.4	170.4	-174	170.2	-171	0	0	108.9	V115 H116	V115-E128 WeakPolarHBondContact CA-O 3.48Å; H116-E128 HydrophobicContact CB-CB 4.32Å; H116-E128 PolarHBondContact N-O 2.87Å; H116-E128 PolarHBondContact O-N 2.76Å
129	S	94.4	Very high	93.1	Very high	35 Å²	35	58.3 Å²	58.3	25%	0.245	33%	0.328	C	S	.	.			trans	-160.2	170	-180	57	0	0	0	0	108.9	D113 G131	D113-S129 WeakPolarHBondContact O-CA 3.17Å; D113-S129 VanDerWaalsContact O-CB 3.3Å; D113-S129 WeakPolarHBondContact O-CB 3.21Å; S129-G131 PolarHBondContact O-N 2.84Å
130	N	92.3	Very high	93.4	Very high	82 Å²	82	59.9 Å²	59.9	44%	0.439	34%	0.337	S	S	.	.	S	Bend	trans	-64.5	-8.4	175.1	-68.2	-20.9	0	0	0	114	D113 N114 V134	D113-N130 PolarHBondContact O-N 3.41Å; D113-N130 VanDerWaalsContact O-N 3.11Å; N114-N130 PolarHBondContact OD1-ND2 2.79Å; N130-V134 HydrophobicContact CB-CB 4.43Å; N130-V134 HydrophobicContact CB-CG1 4.26Å
131	G	91	Very high	93.8	Very high	25 Å²	25	59.1 Å²	59.1	26%	0.258	32%	0.32	S	S	.	.			trans	105.9	158.4	-177.9	0	0	0	0	0	112.7	S129 G133 V134	S129-G131 PolarHBondContact O-N 2.84Å; G131-G133 PolarHBondContact O-N 3.36Å; G131-V134 PolarHBondContact O-N 3.32Å
132	F	93.3	Very high	93.9	Very high	46 Å²	46	58 Å²	58	20%	0.202	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	119.3	-174.5	-82.1	-95	0	0	0	112.3	P43 I45 V63 Y65 W111 L112 A125 V134	P43-F132 HydrophobicContact CB-CE2 4.35Å; P43-F132 HydrophobicContact CG-CD2 3.8Å; P43-F132 HydrophobicContact CG-CE2 3.29Å; P43-F132 HydrophobicContact CG-CZ 3.88Å; I45-F132 HydrophobicContact CG2-CE1 3.59Å; I45-F132 HydrophobicContact CG2-CZ 3.56Å; V63-F132 HydrophobicContact CG1-CE1 4.21Å; Y65-F132 HydrophobicContact CD1-CB 3.9Å; Y65-F132 AromaticContact CD1-CD1 3.4Å; Y65-F132 HydrophobicContact CD1-CD1 3.4Å; Y65-F132 HydrophobicContact CD1-CE1 4.19Å; Y65-F132 AromaticContact CD1-CG 3.86Å; Y65-F132 HydrophobicContact CD1-CG 3.86Å; Y65-F132 HydrophobicContact CD2-CD1 4.04Å; Y65-F132 HydrophobicContact CD2-CE1 4.06Å; Y65-F132 HydrophobicContact CE1-CB 3.55Å; Y65-F132 AromaticContact CE1-CD1 3.8Å; Y65-F132 HydrophobicContact CE1-CD1 3.8Å; Y65-F132 AromaticContact CE1-CG 3.75Å; Y65-F132 HydrophobicContact CE1-CG 3.75Å; Y65-F132 HydrophobicContact CE2-CD1 4.42Å; Y65-F132 AromaticContact CG-CD1 3.51Å; Y65-F132 HydrophobicContact CG-CD1 3.51Å; Y65-F132 AromaticContact CG-CE1 3.82Å; Y65-F132 HydrophobicContact CG-CE1 3.82Å; Y65-F132 HydrophobicContact CG-CG 4.27Å; W111-F132 HydrophobicContact CB-CD1 4.38Å; W111-F132 HydrophobicContact CE3-CB 4.45Å; W111-F132 HydrophobicContact CE3-CD1 4.48Å; W111-F132 CarbonylContact O-C 3.57Å; W111-F132 VanDerWaalsContact O-CA 3.24Å; W111-F132 WeakPolarHBondContact O-CA 3.33Å; L112-F132 HydrophobicContact CD1-CE1 4.48Å; L112-F132 HydrophobicContact CD1-CZ 4.47Å; L112-F132 HydrophobicContact CD2-CD1 4.12Å; L112-F132 HydrophobicContact CD2-CD2 4.16Å; L112-F132 HydrophobicContact CD2-CE1 3.93Å; L112-F132 HydrophobicContact CD2-CE2 3.96Å; L112-F132 HydrophobicContact CD2-CG 4.23Å; L112-F132 HydrophobicContact CD2-CZ 3.85Å; L112-F132 HydrophobicContact CG-CE1 4.23Å; L112-F132 HydrophobicContact CG-CZ 4.46Å; A125-F132 HydrophobicContact CB-CE2 4.31Å; A125-F132 HydrophobicContact CB-CZ 3.93Å; F132-V134 VanDerWaalsContact C-N 3.32Å
133	G	92	Very high	94.5	Very high	36 Å²	36	50 Å²	50	37%	0.371	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	11.9	178.3	0	0	0	0	0	114.3	W111 G131	W111-G133 PolarHBondContact O-N 2.94Å; G131-G133 PolarHBondContact O-N 3.36Å
134	V	94.4	Very high	94.8	Very high	86 Å²	86	49 Å²	49	52%	0.521	27%	0.274	S	S	.	.			trans	-105	104.2	173.4	-177.1	0	0	0	0	107.7	N130 G131 F132	N130-V134 HydrophobicContact CB-CB 4.43Å; N130-V134 HydrophobicContact CB-CG1 4.26Å; G131-V134 PolarHBondContact O-N 3.32Å; F132-V134 VanDerWaalsContact C-N 3.32Å
135	S	93.7	Very high	94.9	Very high	44 Å²	44	49 Å²	49	31%	0.308	27%	0.273	S	S	.	.			trans	-153.3	144.9	179.5	-178.1	0	0	0	0	110.2	D113 C137	D113-S135 VanDerWaalsContact CG-OG 3.31Å; D113-S135 WeakPolarHBondContact OD2-CA 3.34Å; D113-S135 VanDerWaalsContact OD2-CB 3.23Å; D113-S135 WeakPolarHBondContact OD2-CB 3.18Å; D113-S135 PolarHBondContact OD2-OG 3.05Å; S135-C137 WeakPolarHBondContact OG-CB 3.27Å; S135-C137 PolarHBondContact OG-N 2.8Å
136	D	93.7	Very high	95	Very high	137 Å²	137	49.5 Å²	49.5	73%	0.733	28%	0.275	S	S	*	.			trans	-104.4	2	168.9	61.2	-22.5	0	0	0	113.3	D113	D113-D136 PolarHBondContact OD2-N 3.13Å
137	C	96.3	Very high	95	Very high	17 Å²	17	46.8 Å²	46.8	12%	0.115	26%	0.263	C	S	.	.			trans	-70.3	163.5	175.6	-58.4	0	0	0	0	114.1	C73 I110 D113 S135 E141	C73-C137 HydrophobicContact CB-CB 3.7Å; C73-C137 WeakPolarHBondContact CB-SG 3.35Å; C73-C137 WeakPolarHBondContact SG-CB 3.44Å; C73-C137 CovalentContact SG-SG 2.02Å; C73-C137 PolarHBondContact SG-SG 3.49Å; I110-C137 HydrophobicContact CD1-CB 3.91Å; I110-C137 WeakPolarHBondContact CD1-O 3.43Å; D113-C137 PolarHBondContact OD1-SG 3.06Å; D113-C137 VanDerWaalsContact OD1-SG 3.41Å; D113-C137 PolarHBondContact OD2-SG 2.75Å; D113-C137 VanDerWaalsContact OD2-SG 3.39Å; S135-C137 WeakPolarHBondContact OG-CB 3.27Å; S135-C137 PolarHBondContact OG-N 2.8Å; C137-E141 WeakPolarHBondContact CA-OE2 3.28Å; C137-E141 HydrophobicContact CB-CB 4.17Å
138	K	95.8	Very high	94.6	Very high	151 Å²	151	47.2 Å²	47.2	66%	0.657	27%	0.266	S	S	*	.			trans	-112	164.1	168.8	-63.1	173.8	-173.3	167.3	0	109.8	S140 E141	K138-S140 PolarHBondContact O-N 3.42Å; K138-E141 PolarHBondContact N-OE2 3.21Å; K138-E141 WeakPolarHBondContact O-CA 3.33Å; K138-E141 WeakPolarHBondContact O-CB 3.44Å; K138-E141 PolarHBondContact O-N 3.44Å
139	H	97.4	Very high	93.7	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.176	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-64.3	-5.4	175.8	-72.2	-56.7	0	0	0	115.3	T71 A101 K105 G106 E107 G108 E141 D142	T71-H139 PolarHBondContact OG1-CE1 3.44Å; T71-H139 PolarHBondContact OG1-ND1 3.27Å; A101-H139 VanDerWaalsContact CB-O 3.31Å; A101-H139 WeakPolarHBondContact CB-O 3.34Å; K105-H139 HydrophobicContact CB-CB 4.07Å; K105-H139 VanDerWaalsContact CG-O 3.31Å; K105-H139 WeakPolarHBondContact CG-O 2.91Å; G106-H139 PolarHBondContact O-CD2 3.25Å; G106-H139 VanDerWaalsContact O-CD2 3.26Å; E107-H139 VanDerWaalsContact C-NE2 3.29Å; E107-H139 WeakPolarHBondContact CA-NE2 3.42Å; G108-H139 PolarHBondContact N-NE2 3.33Å; G108-H139 PolarHBondContact O-NE2 3.41Å; G108-H139 VanDerWaalsContact O-NE2 3.15Å; H139-E141 PolarHBondContact O-N 2.87Å; H139-D142 WeakPolarHBondContact CB-OD2 3.26Å; H139-D142 IonicContact CG-OD2 3.54Å; H139-D142 IonicContact ND1-OD1 3.07Å; H139-D142 PolarHBondContact ND1-OD1 2.96Å; H139-D142 IonicContact ND1-OD2 2.94Å; H139-D142 PolarHBondContact ND1-OD2 3.41Å
140	S	95.3	Very high	92.4	Very high	47 Å²	47	49.6 Å²	49.6	33%	0.329	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-69.1	-14.9	164.5	42.6	0	0	0	0	113.4	S100 A101 K138	S100-S140 CarbonylContact C-O 3.51Å; S100-S140 WeakPolarHBondContact CA-O 3.49Å; A101-S140 PolarHBondContact N-O 2.8Å; K138-S140 PolarHBondContact O-N 3.42Å
141	E	97.4	Very high	91.7	Very high	62 Å²	62	49.7 Å²	49.7	29%	0.29	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-110.8	15.7	-175.9	-67.9	156.4	144.7	0	0	110.5	C73 D74 C137 K138 H139 V143	C73-E141 CarbonylContact C-O 3.54Å; C73-E141 WeakPolarHBondContact CA-O 2.99Å; D74-E141 WeakPolarHBondContact CB-O 3.44Å; D74-E141 PolarHBondContact N-O 2.95Å; D74-E141 WeakPolarHBondContact OD1-CB 3.16Å; D74-E141 VanDerWaalsContact OD1-O 3.13Å; C137-E141 WeakPolarHBondContact CA-OE2 3.28Å; C137-E141 HydrophobicContact CB-CB 4.17Å; K138-E141 PolarHBondContact N-OE2 3.21Å; K138-E141 WeakPolarHBondContact O-CA 3.33Å; K138-E141 WeakPolarHBondContact O-CB 3.44Å; K138-E141 PolarHBondContact O-N 3.44Å; H139-E141 PolarHBondContact O-N 2.87Å; E141-V143 PolarHBondContact O-N 3.35Å
142	D	97.7	Very high	90.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-67.6	129.6	175.6	-69.9	-29.3	0	0	0	110.8	R60 T71 V72 A101 G106 H139	R60-D142 HydrophobicContact CG-CB 4.1Å; T71-D142 WeakPolarHBondContact CB-OD1 3.27Å; T71-D142 PolarHBondContact OG1-OD1 3.32Å; V72-D142 WeakPolarHBondContact O-CA 3.44Å; A101-D142 VanDerWaalsContact CA-O 3.23Å; A101-D142 WeakPolarHBondContact CA-O 3.46Å; A101-D142 HydrophobicContact CB-CB 4.35Å; A101-D142 PolarHBondContact N-O 2.95Å; A101-D142 VanDerWaalsContact N-O 3.07Å; G106-D142 WeakPolarHBondContact CA-OD2 3.44Å; G106-D142 PolarHBondContact N-OD2 3.28Å; H139-D142 WeakPolarHBondContact CB-OD2 3.26Å; H139-D142 IonicContact CG-OD2 3.54Å; H139-D142 IonicContact ND1-OD1 3.07Å; H139-D142 PolarHBondContact ND1-OD1 2.96Å; H139-D142 IonicContact ND1-OD2 2.94Å; H139-D142 PolarHBondContact ND1-OD2 3.41Å
143	V	98	Very high	88.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.			trans	-82.1	147.1	-178.2	80.3	0	0	0	0	112.5	R60 V61 V72 D74 F77 W97 A98 E141	R60-V143 WeakPolarHBondContact CA-O 3.47Å; V61-V143 HydrophobicContact CB-CG1 4.04Å; V61-V143 HydrophobicContact CG2-CG1 3.99Å; V61-V143 PolarHBondContact N-O 3.22Å; V72-V143 HydrophobicContact CB-CG1 3.8Å; V72-V143 HydrophobicContact CG1-CG1 3.9Å; V72-V143 WeakPolarHBondContact O-CG1 3.46Å; V72-V143 PolarHBondContact O-N 2.84Å; D74-V143 HydrophobicContact CB-CB 3.84Å; D74-V143 HydrophobicContact CB-CG2 3.89Å; F77-V143 HydrophobicContact CB-CG2 4.08Å; F77-V143 HydrophobicContact CD1-CG2 3.56Å; F77-V143 HydrophobicContact CD2-CB 4.41Å; F77-V143 HydrophobicContact CD2-CG1 3.93Å; F77-V143 HydrophobicContact CD2-CG2 4.12Å; F77-V143 HydrophobicContact CE1-CG2 3.93Å; F77-V143 HydrophobicContact CE2-CG1 3.83Å; F77-V143 HydrophobicContact CE2-CG2 4.46Å; F77-V143 HydrophobicContact CG-CB 4.38Å; F77-V143 HydrophobicContact CG-CG1 4.34Å; F77-V143 HydrophobicContact CG-CG2 3.66Å; F77-V143 HydrophobicContact CZ-CG1 4.15Å; F77-V143 HydrophobicContact CZ-CG2 4.37Å; W97-V143 HydrophobicContact CE3-CG2 3.71Å; W97-V143 HydrophobicContact CZ3-CG2 4.16Å; A98-V143 WeakPolarHBondContact O-CG2 3.5Å; E141-V143 PolarHBondContact O-N 3.35Å
144	G	97.3	Very high	85.9	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	161.4	168.7	0	0	0	0	0	113.2	G59 W97 A98	G59-G144 CarbonylContact O-C 3.49Å; G59-G144 WeakPolarHBondContact O-CA 3.2Å; W97-G144 CarbonylContact C-O 3.04Å; W97-G144 WeakPolarHBondContact CA-O 3.35Å; W97-G144 WeakPolarHBondContact CB-O 2.94Å; A98-G144 PolarHBondContact N-O 2.96Å; A98-G144 PolarHBondContact O-N 3.36Å
145	V	97.7	Very high	83.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.7	175.9	-61.5	0	0	0	0	111.4	L49 E58 G59 V61 F77 A82 V85 W97	L49-V145 HydrophobicContact CD1-CG2 4.31Å; L49-V145 HydrophobicContact CD2-CG2 3.46Å; L49-V145 VanDerWaalsContact CD2-CG2 3.46Å; E58-V145 WeakPolarHBondContact CA-O 3.37Å; E58-V145 WeakPolarHBondContact CB-O 3.03Å; G59-V145 PolarHBondContact N-O 3.45Å; G59-V145 VanDerWaalsContact N-O 3.07Å; G59-V145 PolarHBondContact O-N 2.75Å; V61-V145 HydrophobicContact CG2-CB 4.37Å; V61-V145 HydrophobicContact CG2-CG1 3.69Å; V61-V145 HydrophobicContact CG2-CG2 3.96Å; F77-V145 HydrophobicContact CE1-CG1 4.1Å; F77-V145 HydrophobicContact CZ-CG1 4.2Å; A82-V145 HydrophobicContact CB-CB 4.5Å; A82-V145 HydrophobicContact CB-CG1 3.8Å; V85-V145 HydrophobicContact CB-CG1 4.44Å; V85-V145 HydrophobicContact CG1-CG1 4.25Å; V85-V145 HydrophobicContact CG1-CG2 3.79Å; W97-V145 HydrophobicContact CB-CG1 4.33Å
146	V	95.4	Very high	81.2	Confident	19 Å²	19	56.2 Å²	56.2	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.8	168.4	-175.1	0	0	0	0	107.4	E58 V95 S96 F103	E58-V146 HydrophobicContact CB-CB 4.34Å; E58-V146 HydrophobicContact CB-CG1 4.26Å; E58-V146 HydrophobicContact CB-CG2 4.07Å; V95-V146 HydrophobicContact CB-CG1 4.3Å; V95-V146 PolarHBondContact N-O 2.89Å; S96-V146 PolarHBondContact N-O 2.86Å; S96-V146 VanDerWaalsContact N-O 3.11Å; S96-V146 PolarHBondContact O-N 2.94Å; S96-V146 WeakPolarHBondContact OG-CB 3.02Å; F103-V146 HydrophobicContact CZ-CG2 3.98Å
147	C	93.1	Very high	78.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	165.1	-179.6	-53	0	0	0	0	112.3	Y57 C86 F91 D93	Y57-C147 WeakPolarHBondContact CD2-O 3.24Å; Y57-C147 WeakPolarHBondContact O-CB 3.33Å; Y57-C147 PolarHBondContact O-N 3.35Å; C86-C147 WeakPolarHBondContact CA-SG 3.31Å; C86-C147 HydrophobicContact CB-CB 3.7Å; C86-C147 WeakPolarHBondContact CB-SG 3.49Å; C86-C147 WeakPolarHBondContact SG-CA 3.37Å; C86-C147 WeakPolarHBondContact SG-CB 3.06Å; C86-C147 CovalentContact SG-SG 2.04Å; C86-C147 PolarHBondContact SG-SG 3.46Å; F91-C147 HydrophobicContact CB-CB 3.52Å; F91-C147 HydrophobicContact CD1-CB 4.1Å; F91-C147 HydrophobicContact CD2-CB 3.44Å; F91-C147 VanDerWaalsContact CD2-CB 3.44Å; F91-C147 VanDerWaalsContact CD2-SG 3.54Å; F91-C147 HydrophobicContact CE2-CB 4.1Å; F91-C147 HydrophobicContact CG-CB 3.4Å; D93-C147 CarbonylContact O-C 3.52Å
148	S	86	Confident	76.1	Confident	16 Å²	16	59.4 Å²	59.4	11%	0.112	30%	0.295	C	S	.	.			trans	-72.6	144.8	172.5	74.2	0	0	0	0	110.1	F91 D93 K150	F91-S148 WeakPolarHBondContact CD1-O 3.43Å; D93-S148 PolarHBondContact N-OG 3.05Å; D93-S148 VanDerWaalsContact N-OG 3.13Å; D93-S148 PolarHBondContact O-N 3.11Å; D93-S148 PolarHBondContact O-OG 2.77Å; S148-K150 PolarHBondContact O-N 2.79Å
149	Q	75.1	Confident	73.5	Confident	94 Å²	94	58.4 Å²	58.4	44%	0.439	29%	0.287	S	S	.	.	S	Bend	trans	-62.6	-23.2	176.7	-76	164.4	25.1	0	0	112.7	Y57 R151	Y57-Q149 HydrophobicContact CD1-CG 3.92Å; Y57-Q149 HydrophobicContact CE1-CG 3.34Å; Y57-Q149 HydrophobicContact CE2-CG 3.98Å; Y57-Q149 HydrophobicContact CG-CG 4.48Å; Y57-Q149 PolarHBondContact OH-NE2 3.22Å; Q149-R151 PolarHBondContact O-N 3.28Å
150	K	67.2	Low	70.7	Confident	138 Å²	138	60 Å²	60	60%	0.6	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-72.1	123.1	-178.1	-64.1	-179.3	-178.5	173.9	0	109.2	F91 M92 S148	F91-K150 CarbonylContact C-O 3.51Å; F91-K150 WeakPolarHBondContact CA-O 3.23Å; M92-K150 HydrophobicContact CB-CB 4.24Å; M92-K150 HydrophobicContact CG-CB 3.93Å; M92-K150 WeakPolarHBondContact CG-O 3.47Å; M92-K150 PolarHBondContact N-O 3.3Å; M92-K150 HydrophobicContact SD-CB 3.59Å; M92-K150 VanDerWaalsContact SD-CB 3.59Å; M92-K150 HydrophobicContact SD-CD 4.17Å; M92-K150 HydrophobicContact SD-CG 4.49Å; S148-K150 PolarHBondContact O-N 2.79Å
151	R	77.5	Confident	68	Low	85 Å²	85	62.6 Å²	62.6	32%	0.321	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-81	144	173	-66.7	-68.2	-172.1	-178.4	-1.1	110.3	H56 L89 G90 F91 Q149 P153	H56-R151 PolarHBondContact CD2-NH2 3.26Å; H56-R151 VanDerWaalsContact CD2-NH2 3.32Å; L89-R151 PolarHBondContact O-NH1 3.07Å; L89-R151 VanDerWaalsContact O-NH1 3.16Å; G90-R151 VanDerWaalsContact O-CA 3.32Å; G90-R151 WeakPolarHBondContact O-CA 3.29Å; G90-R151 VanDerWaalsContact O-CD 3.23Å; G90-R151 WeakPolarHBondContact O-CD 3.19Å; F91-R151 VanDerWaalsContact CE1-NH2 3.31Å; F91-R151 VanDerWaalsContact CE2-NH1 3.3Å; Q149-R151 PolarHBondContact O-N 3.28Å; R151-P153 VanDerWaalsContact O-CD 3.27Å; R151-P153 WeakPolarHBondContact O-CD 3.1Å
152	I	70.3	Confident	65.2	Low	48 Å²	48	64.5 Å²	64.5	25%	0.246	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-62.9	122.7	170.6	-65.1	165	0	0	0	107.6	R87 G90 F91 M92 G154 F155	R87-I152 HydrophobicContact CB-CD1 4.34Å; R87-I152 HydrophobicContact CG-CD1 3.69Å; G90-I152 PolarHBondContact O-N 2.93Å; F91-I152 WeakPolarHBondContact O-CD1 3.32Å; F91-I152 WeakPolarHBondContact O-CG1 3.23Å; M92-I152 HydrophobicContact CB-CG1 4.37Å; M92-I152 HydrophobicContact CG-CG1 3.96Å; I152-G154 PolarHBondContact O-N 2.83Å; I152-F155 HydrophobicContact CB-CB 3.91Å; I152-F155 HydrophobicContact CB-CD2 4.07Å; I152-F155 HydrophobicContact CB-CG 4.35Å; I152-F155 HydrophobicContact CD1-CD2 4.05Å; I152-F155 HydrophobicContact CG2-CB 4.44Å; I152-F155 HydrophobicContact CG2-CD2 4.46Å; I152-F155 WeakPolarHBondContact O-CB 3.45Å; I152-F155 PolarHBondContact O-N 2.79Å
153	P	41.4	Very low	62.2	Low	113 Å²	113	70 Å²	70	73%	0.734	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	122.5	177.6	-25	35.3	0	0	0	110.7	R151	R151-P153 VanDerWaalsContact O-CD 3.27Å; R151-P153 WeakPolarHBondContact O-CD 3.1Å
154	G	42.5	Very low	59.3	Low	30 Å²	30	73.6 Å²	73.6	31%	0.309	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	16.3	-173.5	0	0	0	0	0	114.4	I152	I152-G154 PolarHBondContact O-N 2.83Å
155	F	47.8	Very low	56.5	Low	49 Å²	49	77.4 Å²	77.4	22%	0.215	44%	0.44	C	S	.	.			trans	-70.2	144.9	176.2	-165.1	-94.4	0	0	0	113.7	R87 E88 L89 I152	R87-F155 WeakPolarHBondContact O-CE2 3.4Å; R87-F155 WeakPolarHBondContact O-CZ 3.28Å; E88-F155 VanDerWaalsContact O-CZ 3.26Å; E88-F155 WeakPolarHBondContact O-CZ 3.11Å; L89-F155 VanDerWaalsContact C-CE1 3.42Å; I152-F155 HydrophobicContact CB-CB 3.91Å; I152-F155 HydrophobicContact CB-CD2 4.07Å; I152-F155 HydrophobicContact CB-CG 4.35Å; I152-F155 HydrophobicContact CD1-CD2 4.05Å; I152-F155 HydrophobicContact CG2-CB 4.44Å; I152-F155 HydrophobicContact CG2-CD2 4.46Å; I152-F155 WeakPolarHBondContact O-CB 3.45Å; I152-F155 PolarHBondContact O-N 2.79Å
156	K	42.3	Very low	53.8	Low	133 Å²	133	85.4 Å²	85.4	58%	0.578	48%	0.477	S	S	*	.			trans	-98.3	94.2	-168	-70.2	-163.5	178.8	179	0	111.5	I158 Q171	K156-I158 PolarHBondContact O-N 3.16Å; K156-Q171 VanDerWaalsContact C-NE2 3.32Å; K156-Q171 VanDerWaalsContact CD-OE1 3.31Å
157	F	40.5	Very low	51.2	Low	127 Å²	127	86.9 Å²	86.9	56%	0.557	50%	0.496	S	S	*	.			trans	-76.1	111.2	167.2	-125	-89.9	0	0	0	109.6	R159 Q171	F157-R159 PolarHBondContact O-N 2.81Å; F157-Q171 VanDerWaalsContact O-CG 3.28Å; F157-Q171 WeakPolarHBondContact O-CG 3.45Å; F157-Q171 PolarHBondContact O-NE2 3.32Å
158	I	41.8	Very low	49	Very low	95 Å²	95	91.2 Å²	91.2	49%	0.487	52%	0.519	S	S	.	.			trans	-83.1	102.4	173.1	-63.3	173.3	0	0	0	108	K156 T169 Q171	K156-I158 PolarHBondContact O-N 3.16Å; I158-T169 HydrophobicContact CG2-CG2 3.56Å; I158-Q171 VanDerWaalsContact CG1-NE2 3.26Å
159	R	41.4	Very low	47.2	Very low	130 Å²	130	94 Å²	94	49%	0.491	54%	0.535	S	S	.	.			trans	-94.9	96.5	161.7	-149.1	-178.4	-142.4	171.2	7.8	107.2	F157 Q161	F157-R159 PolarHBondContact O-N 2.81Å; R159-Q161 PolarHBondContact O-N 3.11Å; R159-Q161 VanDerWaalsContact O-N 3.14Å
160	N	39.2	Very low	46.3	Very low	70 Å²	70	90.3 Å²	90.3	37%	0.374	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	99.7	167	-83.5	-30.4	0	0	0	107.9	Q46 A162 T169	Q46-N160 PolarHBondContact NE2-ND2 3.06Å; Q46-N160 PolarHBondContact OE1-ND2 2.72Å; N160-A162 PolarHBondContact O-N 2.78Å; N160-T169 VanDerWaalsContact OD1-CG2 3.29Å; N160-T169 WeakPolarHBondContact OD1-CG2 3.19Å
161	Q	39.2	Very low	46	Very low	102 Å²	102	84.8 Å²	84.8	48%	0.477	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.9	158.1	-88.5	-171	-35	0	0	107.6	R159 V163	R159-Q161 PolarHBondContact O-N 3.11Å; R159-Q161 VanDerWaalsContact O-N 3.14Å; Q161-V163 HydrophobicContact CB-CG2 4.48Å; Q161-V163 PolarHBondContact O-N 2.04Å
162	A	37.8	Very low	45.5	Very low	102 Å²	102	82.4 Å²	82.4	84%	0.843	49%	0.49	S	S	*	.			trans	-69.5	87	163	0	0	0	0	0	108.2	N160	N160-A162 PolarHBondContact O-N 2.78Å
163	V	34.9	Very low	45.4	Very low	115 Å²	115	82 Å²	82	70%	0.697	49%	0.487	S	S	*	.			trans	-117.7	100.4	160.8	-178.3	0	0	0	0	106.2	Q161	Q161-V163 HydrophobicContact CB-CG2 4.48Å; Q161-V163 PolarHBondContact O-N 2.04Å
164	G	36.6	Very low	47.2	Very low	76 Å²	76	80.8 Å²	80.8	78%	0.784	47%	0.472	S	S	*	.	S	Bend	trans	56.8	82.4	167.3	0	0	0	0	0	115.7	E166	G164-E166 PolarHBondContact O-N 2.84Å
165	G	38.3	Very low	49.4	Very low	82 Å²	82	79.5 Å²	79.5	85%	0.845	46%	0.458	S	S	*	.	S	Bend	trans	63.8	35.6	149.9	0	0	0	0	0	117.7
166	E	41	Very low	51.5	Low	169 Å²	169	80.5 Å²	80.5	79%	0.79	46%	0.46	S	S	*	.	S	Bend	trans	-179.7	113.3	149.6	-102.9	175.6	-163.9	0	0	106.2	G164 L168	G164-E166 PolarHBondContact O-N 2.84Å; E166-L168 PolarHBondContact O-N 3.02Å
167	G	41.6	Very low	53.8	Low	50 Å²	50	74.9 Å²	74.9	52%	0.515	44%	0.436	S	S	.	.			trans	-68.8	104.7	-176	0	0	0	0	0	111.5	T169	G167-T169 PolarHBondContact O-N 3.19Å
168	L	45.8	Very low	56.2	Low	91 Å²	91	73.4 Å²	73.4	48%	0.476	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.7	174.6	-124.3	106.5	0	0	0	110.1	E166 V170 F249	E166-L168 PolarHBondContact O-N 3.02Å; L168-V170 HydrophobicContact CD2-CG2 4.32Å; L168-V170 PolarHBondContact O-N 2.92Å; L168-F249 HydrophobicContact CD2-CE1 4.23Å; L168-F249 HydrophobicContact CD2-CZ 3.65Å
169	T	50.1	Low	58.3	Low	74 Å²	74	69.3 Å²	69.3	45%	0.454	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	102	176.7	60.8	0	0	0	0	110.5	I158 N160 G167	I158-T169 HydrophobicContact CG2-CG2 3.56Å; N160-T169 VanDerWaalsContact OD1-CG2 3.29Å; N160-T169 WeakPolarHBondContact OD1-CG2 3.19Å; G167-T169 PolarHBondContact O-N 3.19Å
170	V	55.7	Low	60.3	Low	18 Å²	18	63.6 Å²	63.6	11%	0.109	39%	0.387	C	S	.	.			trans	-99.4	122.1	177.5	-178.3	0	0	0	0	109.8	L168 W247 F249 L265	L168-V170 HydrophobicContact CD2-CG2 4.32Å; L168-V170 PolarHBondContact O-N 2.92Å; V170-W247 HydrophobicContact CG1-CH2 4.42Å; V170-W247 HydrophobicContact CG1-CZ2 3.5Å; V170-F249 HydrophobicContact CB-CD2 4.45Å; V170-F249 HydrophobicContact CB-CE2 4.18Å; V170-F249 HydrophobicContact CB-CZ 4.45Å; V170-F249 HydrophobicContact CG1-CD2 3.56Å; V170-F249 HydrophobicContact CG1-CE2 3.67Å; V170-F249 HydrophobicContact CG1-CG 4.18Å; V170-F249 HydrophobicContact CG1-CZ 4.37Å; V170-F249 HydrophobicContact CG2-CD1 4.26Å; V170-F249 HydrophobicContact CG2-CD2 3.99Å; V170-F249 HydrophobicContact CG2-CE1 3.7Å; V170-F249 HydrophobicContact CG2-CE2 3.4Å; V170-F249 HydrophobicContact CG2-CG 4.41Å; V170-F249 HydrophobicContact CG2-CZ 3.25Å; V170-L265 HydrophobicContact CB-CD1 3.62Å; V170-L265 HydrophobicContact CG1-CD1 3.76Å; V170-L265 HydrophobicContact CG1-CD2 4.21Å; V170-L265 HydrophobicContact CG2-CD1 4.02Å
171	Q	61.4	Low	62	Low	22 Å²	22	70 Å²	70	10%	0.103	41%	0.407	C	S	.	.			trans	-122.2	120.3	-173.9	-47.1	-162.8	-48.1	0	0	111	K156 F157 I158	K156-Q171 VanDerWaalsContact C-NE2 3.32Å; K156-Q171 VanDerWaalsContact CD-OE1 3.31Å; F157-Q171 VanDerWaalsContact O-CG 3.28Å; F157-Q171 WeakPolarHBondContact O-CG 3.45Å; F157-Q171 PolarHBondContact O-NE2 3.32Å; I158-Q171 VanDerWaalsContact CG1-NE2 3.26Å
172	V	67	Low	63.4	Low	35 Å²	35	69.1 Å²	69.1	21%	0.212	41%	0.413	C	S	.	.			trans	-98.3	101.1	170	179.8	0	0	0	0	107.4	V175 V196 W247	V172-V175 HydrophobicContact CG1-CG2 3.93Å; V172-V196 HydrophobicContact CG1-CB 4.24Å; V172-V196 HydrophobicContact CG1-CG1 4.13Å; V172-W247 HydrophobicContact CG2-CH2 3.39Å; V172-W247 HydrophobicContact CG2-CZ2 3.36Å; V172-W247 HydrophobicContact CG2-CZ3 4.39Å
173	E	66.6	Low	64.9	Low	39 Å²	39	65.5 Å²	65.5	18%	0.182	38%	0.378	C	S	.	.			trans	-72.4	-41.4	-180	-65.6	171	-156.3	0	0	111.4	K197 G199 G200	E173-K197 HydrophobicContact CB-CB 4.17Å; E173-K197 HydrophobicContact CB-CD 4.36Å; E173-K197 HydrophobicContact CB-CG 4.33Å; E173-K197 WeakPolarHBondContact CB-O 3.33Å; E173-K197 PolarHBondContact N-O 2.93Å; E173-K197 WeakPolarHBondContact OE2-CD 3.44Å; E173-K197 WeakPolarHBondContact OE2-CE 3.46Å; E173-K197 WeakPolarHBondContact OE2-CG 3.4Å; E173-K197 IonicContact OE2-NZ 3.8Å; E173-G199 WeakPolarHBondContact OE1-CA 3.32Å; E173-G199 PolarHBondContact OE1-N 3.39Å; E173-G199 VanDerWaalsContact OE1-N 3.13Å; E173-G200 PolarHBondContact OE1-N 3Å
174	E	80.2	Confident	66.7	Low	87 Å²	87	67.1 Å²	67.1	41%	0.407	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	148.8	-171.7	-158.3	-175	156.2	0	0	109.6	V196 K197 W202	E174-V196 CarbonylContact O-C 3.59Å; E174-V196 VanDerWaalsContact O-CA 3.3Å; E174-V196 WeakPolarHBondContact O-CA 3.05Å; E174-K197 HydrophobicContact CB-CB 3.78Å; E174-K197 HydrophobicContact CB-CD 4.04Å; E174-K197 PolarHBondContact O-N 3.27Å; E174-K197 IonicContact OE2-NZ 3.24Å; E174-W202 HydrophobicContact CB-CH2 3.82Å; E174-W202 HydrophobicContact CB-CZ3 4.42Å; E174-W202 VanDerWaalsContact CD-CH2 3.48Å; E174-W202 HydrophobicContact CG-CH2 3.77Å; E174-W202 HydrophobicContact CG-CZ2 4.43Å; E174-W202 WeakPolarHBondContact OE2-CZ2 3.03Å
175	V	89.1	Confident	68.4	Low	3 Å²	3	73.1 Å²	73.1	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.5	171.3	-173.2	0	0	0	0	107.3	V172 V194 E195 V196 M221 Y222 L260	V172-V175 HydrophobicContact CG1-CG2 3.93Å; V175-V194 HydrophobicContact CG1-CG1 3.94Å; V175-E195 CarbonylContact C-O 3.57Å; V175-E195 WeakPolarHBondContact CA-O 3.4Å; V175-V196 HydrophobicContact CG2-CG1 4.31Å; V175-M221 HydrophobicContact CB-CE 3.92Å; V175-M221 HydrophobicContact CB-SD 4.4Å; V175-M221 HydrophobicContact CG1-SD 4.48Å; V175-M221 HydrophobicContact CG2-CE 4.18Å; V175-M221 HydrophobicContact CG2-SD 4.43Å; V175-Y222 VanDerWaalsContact C-OH 3.27Å; V175-Y222 HydrophobicContact CG1-CE2 4.45Å; V175-Y222 PolarHBondContact O-OH 3.13Å; V175-L260 HydrophobicContact CG1-CD2 4.03Å; V175-L260 HydrophobicContact CG2-CB 3.96Å; V175-L260 HydrophobicContact CG2-CD2 3.81Å
176	R	90.2	Very high	70.2	Confident	71 Å²	71	75.7 Å²	75.7	27%	0.268	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.2	170	76.7	179.2	179.6	-164.9	-7.6	114.4	E195 W202 Y222	R176-E195 HydrophobicContact CG-CB 4.02Å; R176-E195 IonicContact CZ-OE2 2.76Å; R176-E195 PolarHBondContact N-O 3.02Å; R176-E195 IonicContact NE-OE2 3.77Å; R176-E195 PolarHBondContact NE-OE2 2.87Å; R176-E195 IonicContact NH2-OE2 3.71Å; R176-E195 PolarHBondContact NH2-OE2 3.41Å; R176-E195 PolarHBondContact O-N 2.04Å; R176-W202 HydrophobicContact CB-CH2 3.82Å; R176-W202 HydrophobicContact CB-CZ3 3.85Å; R176-W202 HydrophobicContact CG-CD2 4.48Å; R176-W202 HydrophobicContact CG-CE3 3.84Å; R176-W202 HydrophobicContact CG-CH2 3.77Å; R176-W202 HydrophobicContact CG-CZ2 4.43Å; R176-W202 HydrophobicContact CG-CZ3 3.46Å; R176-W202 VanDerWaalsContact CG-CZ3 3.46Å; R176-W202 VanDerWaalsContact CZ-CD2 3.42Å; R176-W202 VanDerWaalsContact CZ-CG 3.49Å; R176-Y222 VanDerWaalsContact CA-OH 3.22Å; R176-Y222 WeakPolarHBondContact CA-OH 3.42Å
177	I	91.7	Very high	72.1	Confident	15 Å²	15	72.4 Å²	72.4	8%	0.077	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.2	166	-48.9	-179.4	0	0	0	108.8	A179 I189 Y222 F224 I285	I177-A179 PolarHBondContact O-N 2.91Å; I177-I189 HydrophobicContact CB-CG2 4.26Å; I177-I189 HydrophobicContact CG2-CG2 3.85Å; I177-Y222 HydrophobicContact CD1-CD1 4.07Å; I177-Y222 HydrophobicContact CD1-CD2 3.7Å; I177-Y222 HydrophobicContact CD1-CE2 4.23Å; I177-Y222 HydrophobicContact CD1-CG 3.64Å; I177-Y222 HydrophobicContact CG1-CD1 4.37Å; I177-Y222 HydrophobicContact CG1-CD2 3.87Å; I177-Y222 HydrophobicContact CG1-CE1 4.34Å; I177-Y222 HydrophobicContact CG1-CE2 3.87Å; I177-Y222 HydrophobicContact CG1-CG 4.15Å; I177-F224 HydrophobicContact CD1-CE2 4.45Å; I177-I285 HydrophobicContact CD1-CD1 3.44Å; I177-I285 VanDerWaalsContact CD1-CD1 3.44Å; I177-I285 HydrophobicContact CD1-CG1 4.42Å; I177-I285 HydrophobicContact CG1-CD1 3.8Å; I177-I285 HydrophobicContact CG2-CD1 4.48Å; I177-I285 HydrophobicContact CG2-CG1 4.43Å
178	R	90.5	Very high	74.2	Confident	96 Å²	96	70.2 Å²	70.2	36%	0.362	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	102.1	177.5	-170.8	171.4	-179	169.6	3.4	111.1	G192 F193 E195 R242	R178-G192 WeakPolarHBondContact O-CA 3.48Å; R178-F193 PolarHBondContact N-O 3.41Å; R178-F193 PolarHBondContact O-N 2.99Å; R178-F193 VanDerWaalsContact O-N 3.08Å; R178-E195 WeakPolarHBondContact CD-OE1 3.46Å; R178-E195 IonicContact NH1-OE1 3.84Å; R178-E195 PolarHBondContact NH1-OE1 2.95Å; R178-E195 IonicContact NH1-OE2 3.76Å; R178-R242 VanDerWaalsContact CZ-NH2 3.33Å
179	A	85.5	Confident	76.3	Confident	8 Å²	8	69 Å²	69	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.7	177.2	0	0	0	0	0	113.6	I177 H183 R184 I189	I177-A179 PolarHBondContact O-N 2.91Å; A179-H183 HydrophobicContact CB-CB 4.29Å; A179-R184 HydrophobicContact CB-CG 3.92Å; A179-R184 PolarHBondContact O-NE 3.18Å; A179-I189 HydrophobicContact CB-CD1 4.12Å; A179-I189 HydrophobicContact CB-CG1 4.31Å; A179-I189 HydrophobicContact CB-CG2 3.82Å
180	T	83.9	Confident	78.2	Confident	10 Å²	10	66.1 Å²	66.1	6%	0.061	30%	0.3	C	S	.	.			trans	-80.3	164.1	169.8	56.5	0	0	0	0	110.9	S182 H183 R184 F193 Y235 L238	T180-S182 PolarHBondContact O-N 3.18Å; T180-S182 VanDerWaalsContact O-N 3.09Å; T180-S182 PolarHBondContact OG1-OG 3.13Å; T180-H183 CarbonylContact O-C 2.83Å; T180-H183 PolarHBondContact O-N 3.45Å; T180-H183 PolarHBondContact OG1-CD2 3.44Å; T180-R184 WeakPolarHBondContact O-CG 3.44Å; T180-R184 PolarHBondContact O-N 3.36Å; T180-F193 HydrophobicContact CG2-CD2 4.35Å; T180-F193 HydrophobicContact CG2-CE2 4.04Å; T180-Y235 HydrophobicContact CG2-CD1 4.11Å; T180-Y235 HydrophobicContact CG2-CE1 3.42Å; T180-Y235 VanDerWaalsContact CG2-CE1 3.42Å; T180-L238 HydrophobicContact CG2-CD1 3.69Å
181	Y	74.1	Confident	79.9	Confident	204 Å²	204	66.5 Å²	66.5	80%	0.8	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-36.2	-173.7	-167.9	-96.6	0	0	0	113.4	H183	Y181-H183 VanDerWaalsContact C-N 3.31Å; Y181-H183 PolarHBondContact O-N 2.92Å
182	S	69.9	Low	81.4	Confident	85 Å²	85	65.5 Å²	65.5	59%	0.594	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.2	175.8	34.6	0	0	0	0	114.7	T180	T180-S182 PolarHBondContact O-N 3.18Å; T180-S182 VanDerWaalsContact O-N 3.09Å; T180-S182 PolarHBondContact OG1-OG 3.13Å
183	H	69.1	Low	82.7	Confident	26 Å²	26	64 Å²	64	12%	0.12	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-7.9	-176.5	-66.5	-97.3	0	0	0	113.8	A179 T180 Y181 K185 R186	A179-H183 HydrophobicContact CB-CB 4.29Å; T180-H183 CarbonylContact O-C 2.83Å; T180-H183 PolarHBondContact O-N 3.45Å; T180-H183 PolarHBondContact OG1-CD2 3.44Å; Y181-H183 VanDerWaalsContact C-N 3.31Å; Y181-H183 PolarHBondContact O-N 2.92Å; H183-K185 VanDerWaalsContact C-N 3.25Å; H183-K185 PolarHBondContact O-N 2.9Å; H183-R186 WeakPolarHBondContact O-CB 3.46Å; H183-R186 PolarHBondContact O-N 3.12Å
184	R	71.4	Confident	83.9	Confident	148 Å²	148	62.1 Å²	62.1	56%	0.558	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.4	-177.2	-83.8	177.4	-168.9	-170.9	4.3	115.4	A179 T180	A179-R184 HydrophobicContact CB-CG 3.92Å; A179-R184 PolarHBondContact O-NE 3.18Å; T180-R184 WeakPolarHBondContact O-CG 3.44Å; T180-R184 PolarHBondContact O-N 3.36Å
185	K	72.4	Confident	84.5	Confident	203 Å²	203	58.2 Å²	58.2	88%	0.883	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.3	177.4	-64.2	-171.4	178	-173	0	113	H183	H183-K185 VanDerWaalsContact C-N 3.25Å; H183-K185 PolarHBondContact O-N 2.9Å
186	R	76.8	Confident	84.5	Confident	136 Å²	136	58 Å²	58	51%	0.513	26%	0.258	S	S	.	.			trans	-89.2	135.6	-179.9	-63.7	-173.2	-178.5	-167.4	-1.2	109.6	H183	H183-R186 WeakPolarHBondContact O-CB 3.46Å; H183-R186 PolarHBondContact O-N 3.12Å
187	I	80.3	Confident	84.2	Confident	100 Å²	100	56.8 Å²	56.8	51%	0.513	26%	0.255	S	S	.	.	S	Bend	trans	-124.8	124.1	173.2	-61.6	175.8	0	0	0	106.2	M415	I187-M415 HydrophobicContact CG2-CB 4.47Å; I187-M415 HydrophobicContact CG2-CE 4.48Å; I187-M415 WeakPolarHBondContact CG2-O 3.43Å; I187-M415 HydrophobicContact CG2-SD 4.46Å
188	P	87.3	Confident	83.6	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.019	26%	0.26	C	S	.	.	S	Bend	cis	-75.3	164.4	-3	33.1	-32.5	0	0	0	112.2	T190 F224 F293 P413 M415	P188-T190 HydrophobicContact CG-CG2 4.22Å; P188-T190 PolarHBondContact O-N 2.83Å; P188-F224 HydrophobicContact CB-CE1 4.11Å; P188-F224 HydrophobicContact CB-CZ 3.99Å; P188-F224 HydrophobicContact CG-CE1 3.8Å; P188-F224 HydrophobicContact CG-CZ 4.14Å; P188-F293 WeakPolarHBondContact CD-O 3.09Å; P188-P413 HydrophobicContact CB-CB 3.87Å; P188-P413 HydrophobicContact CG-CB 4.17Å; P188-M415 HydrophobicContact CB-SD 3.76Å; P188-M415 VanDerWaalsContact CD-SD 3.57Å; P188-M415 HydrophobicContact CG-SD 3.74Å
189	I	88.8	Confident	82.9	Confident	66 Å²	66	56.2 Å²	56.2	34%	0.338	27%	0.273	S	S	.	.			trans	-77.5	109.3	172.6	-63.9	171.6	0	0	0	108.4	I177 A179 F224	I177-I189 HydrophobicContact CB-CG2 4.26Å; I177-I189 HydrophobicContact CG2-CG2 3.85Å; A179-I189 HydrophobicContact CB-CD1 4.12Å; A179-I189 HydrophobicContact CB-CG1 4.31Å; A179-I189 HydrophobicContact CB-CG2 3.82Å; I189-F224 WeakPolarHBondContact O-CE2 3.36Å; I189-F224 WeakPolarHBondContact O-CZ 3.4Å
190	T	90.3	Very high	82.6	Confident	14 Å²	14	58 Å²	58	9%	0.086	29%	0.292	C	S	.	.			trans	-102.6	-10.8	-177.2	54.4	0	0	0	0	114.3	P188 F224 S286 C287 P289	P188-T190 HydrophobicContact CG-CG2 4.22Å; P188-T190 PolarHBondContact O-N 2.83Å; T190-F224 HydrophobicContact CG2-CE1 3.88Å; T190-F224 HydrophobicContact CG2-CZ 3.92Å; T190-S286 CarbonylContact O-C 3.51Å; T190-S286 WeakPolarHBondContact O-CA 3.44Å; T190-C287 PolarHBondContact O-N 3.31Å; T190-P289 HydrophobicContact CG2-CB 4.31Å; T190-P289 HydrophobicContact CG2-CG 4.19Å
191	E	92.2	Very high	82.6	Confident	26 Å²	26	64.1 Å²	64.1	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.8	-175	-163.7	175.8	111.4	0	0	111.3	Y235 I285 S286	E191-Y235 VanDerWaalsContact CD-OH 3.27Å; E191-Y235 VanDerWaalsContact CG-OH 3.27Å; E191-Y235 WeakPolarHBondContact CG-OH 3.38Å; E191-Y235 VanDerWaalsContact OE1-CE2 3.23Å; E191-Y235 WeakPolarHBondContact OE1-CE2 3.18Å; E191-Y235 PolarHBondContact OE1-OH 3.45Å; E191-I285 WeakPolarHBondContact CA-O 3.21Å; E191-I285 WeakPolarHBondContact CG-O 3.39Å; E191-S286 WeakPolarHBondContact OE2-CB 3.39Å; E191-S286 PolarHBondContact OE2-OG 3.05Å
192	G	93.1	Very high	83.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-178.9	-179.9	0	0	0	0	0	114.4	R178 V284 I285	R178-G192 WeakPolarHBondContact O-CA 3.48Å; G192-V284 WeakPolarHBondContact O-CA 3.39Å; G192-I285 PolarHBondContact N-O 2.95Å; G192-I285 VanDerWaalsContact N-O 3.17Å; G192-I285 PolarHBondContact O-N 2.96Å; G192-I285 VanDerWaalsContact O-N 3.11Å
193	F	93.2	Very high	84.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.1	175.4	-65	-75.7	0	0	0	110.5	R178 T180 Y235 L238 M281 P282 A283 V284	R178-F193 PolarHBondContact N-O 3.41Å; R178-F193 PolarHBondContact O-N 2.99Å; R178-F193 VanDerWaalsContact O-N 3.08Å; T180-F193 HydrophobicContact CG2-CD2 4.35Å; T180-F193 HydrophobicContact CG2-CE2 4.04Å; F193-Y235 AromaticContact CE1-CD1 3.94Å; F193-Y235 HydrophobicContact CE1-CD1 3.94Å; F193-Y235 AromaticContact CE2-CD1 3.98Å; F193-Y235 HydrophobicContact CE2-CD1 3.98Å; F193-Y235 HydrophobicContact CE2-CE1 4.48Å; F193-Y235 AromaticContact CZ-CD1 3.67Å; F193-Y235 HydrophobicContact CZ-CD1 3.67Å; F193-Y235 HydrophobicContact CZ-CG 4.49Å; F193-L238 HydrophobicContact CE2-CB 4.28Å; F193-L238 HydrophobicContact CZ-CB 4.06Å; F193-M281 HydrophobicContact CE1-CE 4.22Å; F193-P282 HydrophobicContact CD1-CB 3.68Å; F193-P282 HydrophobicContact CD1-CG 4.43Å; F193-P282 HydrophobicContact CE1-CB 4.1Å; F193-P282 HydrophobicContact CE1-CG 4.44Å; F193-A283 WeakPolarHBondContact CA-O 3.42Å; F193-V284 HydrophobicContact CD1-CG2 3.41Å; F193-V284 VanDerWaalsContact CD1-CG2 3.41Å; F193-V284 HydrophobicContact CE1-CG2 3.52Å; F193-V284 HydrophobicContact CG-CG2 4.31Å; F193-V284 HydrophobicContact CZ-CG2 4.49Å
194	V	93.1	Very high	85.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.6	175.3	-171.8	0	0	0	0	109.6	V175 I205 W210 V218 A283 I285	V175-V194 HydrophobicContact CG1-CG1 3.94Å; V194-I205 HydrophobicContact CB-CD1 4.34Å; V194-I205 HydrophobicContact CG1-CD1 3.63Å; V194-I205 HydrophobicContact CG1-CG1 4.38Å; V194-I205 PolarHBondContact O-N 2.9Å; V194-W210 HydrophobicContact CG1-CH2 4.32Å; V194-W210 HydrophobicContact CG2-CH2 4.45Å; V194-W210 HydrophobicContact CG2-CZ2 4.25Å; V194-V218 HydrophobicContact CG1-CG2 4.49Å; V194-V218 HydrophobicContact CG2-CG1 4.4Å; V194-A283 PolarHBondContact N-O 3.17Å; V194-I285 HydrophobicContact CG2-CB 4.29Å; V194-I285 HydrophobicContact CG2-CD1 4.19Å; V194-I285 HydrophobicContact CG2-CG1 3.74Å; V194-I285 HydrophobicContact CG2-CG2 3.67Å
195	E	91.8	Very high	86	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.3	175.5	-65.2	175.9	176.8	0	0	109.5	V175 R176 R178 W202 R203 Q204 R242	V175-E195 CarbonylContact C-O 3.57Å; V175-E195 WeakPolarHBondContact CA-O 3.4Å; R176-E195 HydrophobicContact CG-CB 4.02Å; R176-E195 IonicContact CZ-OE2 2.76Å; R176-E195 PolarHBondContact N-O 3.02Å; R176-E195 IonicContact NE-OE2 3.77Å; R176-E195 PolarHBondContact NE-OE2 2.87Å; R176-E195 IonicContact NH2-OE2 3.71Å; R176-E195 PolarHBondContact NH2-OE2 3.41Å; R176-E195 PolarHBondContact O-N 2.04Å; R178-E195 WeakPolarHBondContact CD-OE1 3.46Å; R178-E195 IonicContact NH1-OE1 3.84Å; R178-E195 PolarHBondContact NH1-OE1 2.95Å; R178-E195 IonicContact NH1-OE2 3.76Å; E195-W202 HydrophobicContact CB-CE3 3.94Å; E195-R203 CarbonylContact C-O 3.52Å; E195-R203 WeakPolarHBondContact CA-O 3.21Å; E195-R203 WeakPolarHBondContact CB-O 3.07Å; E195-Q204 HydrophobicContact CG-CG 4.24Å; E195-R242 IonicContact OE1-CZ 2.7Å; E195-R242 IonicContact OE1-NH1 2.71Å; E195-R242 IonicContact OE1-NH2 3.76Å; E195-R242 PolarHBondContact OE1-NH2 3.34Å
196	V	89.3	Confident	86.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148	171.5	-63.4	0	0	0	0	109.6	V172 E174 V175 R203 I205 W247 L260	V172-V196 HydrophobicContact CG1-CB 4.24Å; V172-V196 HydrophobicContact CG1-CG1 4.13Å; E174-V196 CarbonylContact O-C 3.59Å; E174-V196 VanDerWaalsContact O-CA 3.3Å; E174-V196 WeakPolarHBondContact O-CA 3.05Å; V175-V196 HydrophobicContact CG2-CG1 4.31Å; V196-R203 HydrophobicContact CG2-CB 4.44Å; V196-R203 PolarHBondContact N-O 3.14Å; V196-R203 PolarHBondContact O-N 3.42Å; V196-I205 HydrophobicContact CG1-CD1 3.75Å; V196-I205 HydrophobicContact CG1-CG1 4Å; V196-I205 HydrophobicContact CG2-CG1 4.45Å; V196-W247 HydrophobicContact CG2-CB 3.79Å; V196-W247 HydrophobicContact CG2-CD2 3.56Å; V196-W247 HydrophobicContact CG2-CE3 3.83Å; V196-W247 HydrophobicContact CG2-CG 3.56Å; V196-L260 HydrophobicContact CG1-CD2 4.11Å
197	K	83.9	Confident	87.4	Confident	45 Å²	45	35.2 Å²	35.2	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.4	174	-166.7	-179	178.5	-173.4	0	108.6	E173 E174 K201 W202	E173-K197 HydrophobicContact CB-CB 4.17Å; E173-K197 HydrophobicContact CB-CD 4.36Å; E173-K197 HydrophobicContact CB-CG 4.33Å; E173-K197 WeakPolarHBondContact CB-O 3.33Å; E173-K197 PolarHBondContact N-O 2.93Å; E173-K197 WeakPolarHBondContact OE2-CD 3.44Å; E173-K197 WeakPolarHBondContact OE2-CE 3.46Å; E173-K197 WeakPolarHBondContact OE2-CG 3.4Å; E173-K197 IonicContact OE2-NZ 3.8Å; E174-K197 HydrophobicContact CB-CB 3.78Å; E174-K197 HydrophobicContact CB-CD 4.04Å; E174-K197 PolarHBondContact O-N 3.27Å; E174-K197 IonicContact OE2-NZ 3.24Å; K197-K201 WeakPolarHBondContact CA-O 2.99Å; K197-W202 HydrophobicContact CB-CD2 4.19Å; K197-W202 HydrophobicContact CB-CE3 3.92Å; K197-W202 HydrophobicContact CB-CH2 4.01Å; K197-W202 HydrophobicContact CB-CZ2 4.26Å; K197-W202 HydrophobicContact CB-CZ3 3.82Å; K197-W202 HydrophobicContact CD-CH2 4.48Å; K197-W202 HydrophobicContact CD-CZ2 4.06Å; K197-W202 HydrophobicContact CG-CD2 4.45Å
198	D	79.4	Confident	87.6	Confident	37 Å²	37	34.8 Å²	34.8	20%	0.198	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	118.1	-175.1	164.2	53.5	0	0	0	108.3	G200 K201 R203	D198-G200 VanDerWaalsContact C-N 3.33Å; D198-G200 PolarHBondContact O-N 3.2Å; D198-K201 PolarHBondContact N-O 3.46Å; D198-K201 PolarHBondContact O-N 3.16Å; D198-R203 WeakPolarHBondContact OD2-CD 3.41Å; D198-R203 IonicContact OD2-CZ 3.39Å; D198-R203 IonicContact OD2-NE 2.77Å; D198-R203 PolarHBondContact OD2-NE 2.03Å; D198-R203 IonicContact OD2-NH2 3.37Å
199	G	74.5	Confident	87.5	Confident	61 Å²	61	38.5 Å²	38.5	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	42.4	-174	0	0	0	0	0	112.5	E173 K201	E173-G199 WeakPolarHBondContact OE1-CA 3.32Å; E173-G199 PolarHBondContact OE1-N 3.39Å; E173-G199 VanDerWaalsContact OE1-N 3.13Å; G199-K201 PolarHBondContact O-N 3.25Å; G199-K201 VanDerWaalsContact O-N 3.12Å
200	G	79.1	Confident	87.6	Confident	45 Å²	45	37.2 Å²	37.2	46%	0.464	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-0.1	-176.9	0	0	0	0	0	115.9	E173 D198	E173-G200 PolarHBondContact OE1-N 3Å; D198-G200 VanDerWaalsContact C-N 3.33Å; D198-G200 PolarHBondContact O-N 3.2Å
201	K	84.6	Confident	87.7	Confident	139 Å²	139	39.6 Å²	39.6	60%	0.604	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110	136.5	-179.3	-68.3	179.2	-175.3	170.6	0	111.4	K197 D198 G199 R203	K197-K201 WeakPolarHBondContact CA-O 2.99Å; D198-K201 PolarHBondContact N-O 3.46Å; D198-K201 PolarHBondContact O-N 3.16Å; G199-K201 PolarHBondContact O-N 3.25Å; G199-K201 VanDerWaalsContact O-N 3.12Å; K201-R203 PolarHBondContact O-N 3.13Å
202	W	89	Confident	87.7	Confident	64 Å²	64	43.9 Å²	43.9	24%	0.242	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.8	173.3	-70.7	102.3	0	0	0	111.4	E174 R176 E195 K197 N245	E174-W202 HydrophobicContact CB-CH2 3.82Å; E174-W202 HydrophobicContact CB-CZ3 4.42Å; E174-W202 VanDerWaalsContact CD-CH2 3.48Å; E174-W202 HydrophobicContact CG-CH2 3.77Å; E174-W202 HydrophobicContact CG-CZ2 4.43Å; E174-W202 WeakPolarHBondContact OE2-CZ2 3.03Å; R176-W202 HydrophobicContact CB-CH2 3.82Å; R176-W202 HydrophobicContact CB-CZ3 3.85Å; R176-W202 HydrophobicContact CG-CD2 4.48Å; R176-W202 HydrophobicContact CG-CE3 3.84Å; R176-W202 HydrophobicContact CG-CH2 3.77Å; R176-W202 HydrophobicContact CG-CZ2 4.43Å; R176-W202 HydrophobicContact CG-CZ3 3.46Å; R176-W202 VanDerWaalsContact CG-CZ3 3.46Å; R176-W202 VanDerWaalsContact CZ-CD2 3.42Å; R176-W202 VanDerWaalsContact CZ-CG 3.49Å; E195-W202 HydrophobicContact CB-CE3 3.94Å; K197-W202 HydrophobicContact CB-CD2 4.19Å; K197-W202 HydrophobicContact CB-CE3 3.92Å; K197-W202 HydrophobicContact CB-CH2 4.01Å; K197-W202 HydrophobicContact CB-CZ2 4.26Å; K197-W202 HydrophobicContact CB-CZ3 3.82Å; K197-W202 HydrophobicContact CD-CH2 4.48Å; K197-W202 HydrophobicContact CD-CZ2 4.06Å; K197-W202 HydrophobicContact CG-CD2 4.45Å; W202-N245 PolarHBondContact O-ND2 2.79Å
203	R	88.5	Confident	87.8	Confident	65 Å²	65	47.4 Å²	47.4	25%	0.245	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.4	179.7	-62.2	-175.2	-176.2	-97.6	5.5	110.8	E195 V196 D198 K201 N245 W247	E195-R203 CarbonylContact C-O 3.52Å; E195-R203 WeakPolarHBondContact CA-O 3.21Å; E195-R203 WeakPolarHBondContact CB-O 3.07Å; V196-R203 HydrophobicContact CG2-CB 4.44Å; V196-R203 PolarHBondContact N-O 3.14Å; V196-R203 PolarHBondContact O-N 3.42Å; D198-R203 WeakPolarHBondContact OD2-CD 3.41Å; D198-R203 IonicContact OD2-CZ 3.39Å; D198-R203 IonicContact OD2-NE 2.77Å; D198-R203 PolarHBondContact OD2-NE 2.03Å; D198-R203 IonicContact OD2-NH2 3.37Å; K201-R203 PolarHBondContact O-N 3.13Å; R203-N245 CarbonylContact C-O 3.55Å; R203-N245 WeakPolarHBondContact CA-O 3.29Å; R203-W247 HydrophobicContact CB-CB 3.87Å
204	Q	89.5	Confident	87.9	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.033	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.5	179.8	-64	175.4	-49.1	0	0	110.5	E195 N245 Y246 W247 P282	E195-Q204 HydrophobicContact CG-CG 4.24Å; Q204-N245 PolarHBondContact N-O 3.36Å; Q204-Y246 HydrophobicContact CB-CD1 3.97Å; Q204-Y246 HydrophobicContact CB-CE1 4.25Å; Q204-Y246 HydrophobicContact CB-CG 4.26Å; Q204-Y246 CarbonylContact O-C 3.42Å; Q204-Y246 WeakPolarHBondContact O-CA 3.49Å; Q204-Y246 WeakPolarHBondContact O-CB 3.22Å; Q204-Y246 WeakPolarHBondContact O-CD1 3.4Å; Q204-W247 PolarHBondContact O-N 3.26Å; Q204-P282 HydrophobicContact CB-CB 4.12Å; Q204-P282 HydrophobicContact CB-CG 4.42Å; Q204-P282 HydrophobicContact CG-CB 4.33Å; Q204-P282 HydrophobicContact CG-CG 4.43Å
205	I	89.8	Confident	88	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-85	137.6	170.8	-48.7	179	0	0	0	109.1	V194 V196 W210 W247 L260 P282 A283	V194-I205 HydrophobicContact CB-CD1 4.34Å; V194-I205 HydrophobicContact CG1-CD1 3.63Å; V194-I205 HydrophobicContact CG1-CG1 4.38Å; V194-I205 PolarHBondContact O-N 2.9Å; V196-I205 HydrophobicContact CG1-CD1 3.75Å; V196-I205 HydrophobicContact CG1-CG1 4Å; V196-I205 HydrophobicContact CG2-CG1 4.45Å; I205-W210 HydrophobicContact CB-CZ3 4.25Å; I205-W210 HydrophobicContact CD1-CH2 4.01Å; I205-W210 HydrophobicContact CD1-CZ3 3.62Å; I205-W210 HydrophobicContact CG2-CE3 3.81Å; I205-W210 HydrophobicContact CG2-CZ3 3.74Å; I205-W247 HydrophobicContact CG1-CE3 4.48Å; I205-L260 HydrophobicContact CD1-CD2 3.92Å; I205-P282 CarbonylContact O-C 3.5Å; I205-P282 WeakPolarHBondContact O-CA 3.5Å; I205-A283 HydrophobicContact CB-CB 4.23Å; I205-A283 PolarHBondContact O-N 2.94Å
206	C	88.4	Confident	88.2	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.02	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-77.3	141.7	175.1	178.9	0	0	0	0	111	Y246 I269 C277	C206-Y246 HydrophobicContact CB-CD1 3.92Å; C206-Y246 HydrophobicContact CB-CE1 4.15Å; C206-I269 HydrophobicContact CB-CD1 3.88Å; C206-C277 VanDerWaalsContact CA-SG 3.54Å; C206-C277 HydrophobicContact CB-CB 3.68Å; C206-C277 WeakPolarHBondContact CB-SG 3.48Å; C206-C277 VanDerWaalsContact SG-CA 3.55Å; C206-C277 WeakPolarHBondContact SG-CB 3.05Å; C206-C277 CovalentContact SG-SG 2.03Å; C206-C277 PolarHBondContact SG-SG 2.87Å
207	N	89.6	Confident	88.4	Confident	57 Å²	57	49.4 Å²	49.4	31%	0.305	26%	0.261	S	S	.	.	S	Bend	trans	-87.6	1.3	-179.4	81.2	-37.6	0	0	0	115.3	D209 W210 G280 M281 A283	N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.19Å; N207-W210 HydrophobicContact CB-CB 4.2Å; N207-W210 PolarHBondContact O-N 3.36Å; N207-G280 WeakPolarHBondContact OD1-CA 3.35Å; N207-M281 WeakPolarHBondContact CB-O 3.5Å; N207-M281 VanDerWaalsContact CG-O 3.29Å; N207-M281 PolarHBondContact N-O 2.76Å; N207-M281 PolarHBondContact OD1-N 2.88Å; N207-M281 PolarHBondContact OD1-O 3.22Å; N207-A283 HydrophobicContact CB-CB 4.44Å
208	E	84.9	Confident	88.9	Confident	91 Å²	91	47.3 Å²	47.3	43%	0.425	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	-173.5	-77.1	176.9	-174.3	0	0	113.5	R278 R279 G280	E208-R278 PolarHBondContact OE1-N 3.29Å; E208-R279 WeakPolarHBondContact OE1-CA 3.17Å; E208-R279 WeakPolarHBondContact OE1-CB 3.33Å; E208-R279 PolarHBondContact OE1-N 2.79Å; E208-G280 PolarHBondContact OE1-N 3.43Å
209	D	84.1	Confident	89.7	Confident	80 Å²	80	45.5 Å²	45.5	43%	0.428	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	19.4	174	-61.9	-41.3	0	0	0	112	N207 T211 S250	N207-D209 VanDerWaalsContact C-N 3.26Å; N207-D209 PolarHBondContact O-N 3.19Å; D209-T211 PolarHBondContact O-N 2.76Å; D209-S250 PolarHBondContact OD2-OG 3.15Å
210	W	90.8	Very high	90.7	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.148	22%	0.216	C	C	.	.			trans	-82.6	117.6	-174.5	-170.6	-85.2	0	0	0	111.3	V194 I205 N207 N214 S215 V218 L260 A283 I285	V194-W210 HydrophobicContact CG1-CH2 4.32Å; V194-W210 HydrophobicContact CG2-CH2 4.45Å; V194-W210 HydrophobicContact CG2-CZ2 4.25Å; I205-W210 HydrophobicContact CB-CZ3 4.25Å; I205-W210 HydrophobicContact CD1-CH2 4.01Å; I205-W210 HydrophobicContact CD1-CZ3 3.62Å; I205-W210 HydrophobicContact CG2-CE3 3.81Å; I205-W210 HydrophobicContact CG2-CZ3 3.74Å; N207-W210 HydrophobicContact CB-CB 4.2Å; N207-W210 PolarHBondContact O-N 3.36Å; W210-N214 HydrophobicContact CD2-CB 3.8Å; W210-N214 HydrophobicContact CE3-CB 3.95Å; W210-N214 HydrophobicContact CG-CB 4.44Å; W210-N214 HydrophobicContact CH2-CB 3.83Å; W210-N214 HydrophobicContact CZ2-CB 3.67Å; W210-N214 HydrophobicContact CZ3-CB 3.95Å; W210-S215 PolarHBondContact NE1-OG 3.23Å; W210-V218 HydrophobicContact CH2-CG2 3.82Å; W210-V218 HydrophobicContact CZ2-CG2 3.97Å; W210-L260 HydrophobicContact CH2-CD1 4.44Å; W210-A283 HydrophobicContact CD2-CB 3.69Å; W210-A283 HydrophobicContact CE3-CB 3.87Å; W210-A283 HydrophobicContact CG-CB 4.02Å; W210-A283 HydrophobicContact CZ3-CB 4.39Å; W210-I285 HydrophobicContact CZ2-CG2 3.94Å
211	T	92.8	Very high	91.4	Very high	64 Å²	64	41.9 Å²	41.9	39%	0.393	20%	0.199	S	C	.	.			trans	-102.9	172.4	-176	61.6	0	0	0	0	112.7	D209 M213 N214 S215	D209-T211 PolarHBondContact O-N 2.76Å; T211-M213 WeakPolarHBondContact OG1-CA 3.12Å; T211-N214 PolarHBondContact N-ND2 2.78Å; T211-N214 PolarHBondContact O-N 2.76Å; T211-N214 PolarHBondContact OG1-N 2.83Å; T211-S215 PolarHBondContact O-N 3.24Å; T211-S215 PolarHBondContact O-OG 2.81Å; T211-S215 VanDerWaalsContact O-OG 3.05Å
212	E	93.3	Very high	91.8	Very high	116 Å²	116	38.1 Å²	38.1	54%	0.542	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-44.6	168.2	-169	168.4	-158.3	0	0	111	N214 S215 R216 E227	E212-N214 PolarHBondContact O-N 2.78Å; E212-S215 CarbonylContact O-C 3.48Å; E212-S215 WeakPolarHBondContact O-CA 3.32Å; E212-S215 WeakPolarHBondContact O-CB 3.49Å; E212-S215 PolarHBondContact O-N 3.27Å; E212-R216 PolarHBondContact O-N 3.14Å; E212-E227 HydrophobicContact CG-CG 4Å; E212-E227 WeakPolarHBondContact CG-OE1 3.44Å
213	M	94.8	Very high	92.1	Very high	75 Å²	75	35 Å²	35	37%	0.369	17%	0.17	S	C	.	.	H	α-helix	trans	-9.8	-76.8	146.8	43.4	-101.3	-178.3	0	0	115.7	T211 S215 R216 V217 F384	T211-M213 WeakPolarHBondContact OG1-CA 3.12Å; M213-S215 VanDerWaalsContact C-N 3.3Å; M213-S215 PolarHBondContact O-N 2.8Å; M213-R216 PolarHBondContact O-N 2.68Å; M213-V217 PolarHBondContact O-N 3.11Å; M213-F384 HydrophobicContact CE-CE1 4.07Å; M213-F384 HydrophobicContact CE-CZ 4.28Å; M213-F384 HydrophobicContact SD-CE1 3.87Å; M213-F384 HydrophobicContact SD-CZ 4.22Å
214	N	94.5	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-175.9	-58.1	-21.7	0	0	0	111.6	W210 T211 E212 V217 V218 V251 C253	W210-N214 HydrophobicContact CD2-CB 3.8Å; W210-N214 HydrophobicContact CE3-CB 3.95Å; W210-N214 HydrophobicContact CG-CB 4.44Å; W210-N214 HydrophobicContact CH2-CB 3.83Å; W210-N214 HydrophobicContact CZ2-CB 3.67Å; W210-N214 HydrophobicContact CZ3-CB 3.95Å; T211-N214 PolarHBondContact N-ND2 2.78Å; T211-N214 PolarHBondContact O-N 2.76Å; T211-N214 PolarHBondContact OG1-N 2.83Å; E212-N214 PolarHBondContact O-N 2.78Å; N214-V217 PolarHBondContact O-N 2.77Å; N214-V218 WeakPolarHBondContact O-CG2 3.5Å; N214-V218 PolarHBondContact O-N 3.43Å; N214-V218 VanDerWaalsContact O-N 3.08Å; N214-V251 PolarHBondContact ND2-O 2.84Å; N214-V251 PolarHBondContact OD1-O 3.5Å; N214-C253 WeakPolarHBondContact OD1-CB 3.26Å; N214-C253 PolarHBondContact OD1-N 3.27Å; N214-C253 PolarHBondContact OD1-SG 2.77Å
215	S	95.6	Very high	92.6	Very high	17 Å²	17	32.9 Å²	32.9	12%	0.119	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-41.8	179.2	-52.4	0	0	0	0	111.8	W210 T211 E212 M213 V218 C219	W210-S215 PolarHBondContact NE1-OG 3.23Å; T211-S215 PolarHBondContact O-N 3.24Å; T211-S215 PolarHBondContact O-OG 2.81Å; T211-S215 VanDerWaalsContact O-OG 3.05Å; E212-S215 CarbonylContact O-C 3.48Å; E212-S215 WeakPolarHBondContact O-CA 3.32Å; E212-S215 WeakPolarHBondContact O-CB 3.49Å; E212-S215 PolarHBondContact O-N 3.27Å; M213-S215 VanDerWaalsContact C-N 3.3Å; M213-S215 PolarHBondContact O-N 2.8Å; S215-V218 PolarHBondContact O-N 3.28Å; S215-C219 WeakPolarHBondContact O-CB 3.46Å; S215-C219 PolarHBondContact O-N 3.25Å; S215-C219 PolarHBondContact O-SG 3.23Å; S215-C219 VanDerWaalsContact O-SG 3.41Å
216	R	95.4	Very high	92.7	Very high	31 Å²	31	33.5 Å²	33.5	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-51.2	173.5	168.2	179	-88	-119.4	174.6	110.8	E212 M213 V218 C219 G220 G255 R351 G383	E212-R216 PolarHBondContact O-N 3.14Å; M213-R216 PolarHBondContact O-N 2.68Å; R216-V218 PolarHBondContact O-N 3.48Å; R216-C219 PolarHBondContact O-N 3.31Å; R216-G220 PolarHBondContact O-N 3.18Å; R216-G255 WeakPolarHBondContact CD-O 3.24Å; R216-G255 WeakPolarHBondContact CG-O 3.07Å; R216-R351 VanDerWaalsContact CZ-CZ 3.5Å; R216-G383 PolarHBondContact NH2-O 2.93Å
217	V	94.4	Very high	93	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-45	-179.5	173.4	0	0	0	0	111	M213 N214 G220 M221 C253 E257	M213-V217 PolarHBondContact O-N 3.11Å; N214-V217 PolarHBondContact O-N 2.77Å; V217-G220 PolarHBondContact O-N 3.39Å; V217-M221 WeakPolarHBondContact O-CG 3.48Å; V217-M221 PolarHBondContact O-N 3Å; V217-C253 HydrophobicContact CB-CB 4.37Å; V217-C253 HydrophobicContact CG2-CB 3.66Å; V217-E257 HydrophobicContact CG1-CB 4.08Å; V217-E257 HydrophobicContact CG2-CB 4.05Å; V217-E257 VanDerWaalsContact CG2-OE2 3.28Å; V217-E257 WeakPolarHBondContact CG2-OE2 3.5Å
218	V	95	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-45.4	177.9	-176.7	0	0	0	0	110.8	V194 W210 N214 S215 R216 G220 M221 Y222 L260 I285	V194-V218 HydrophobicContact CG1-CG2 4.49Å; V194-V218 HydrophobicContact CG2-CG1 4.4Å; W210-V218 HydrophobicContact CH2-CG2 3.82Å; W210-V218 HydrophobicContact CZ2-CG2 3.97Å; N214-V218 WeakPolarHBondContact O-CG2 3.5Å; N214-V218 PolarHBondContact O-N 3.43Å; N214-V218 VanDerWaalsContact O-N 3.08Å; S215-V218 PolarHBondContact O-N 3.28Å; R216-V218 PolarHBondContact O-N 3.48Å; V218-G220 VanDerWaalsContact C-N 3.32Å; V218-G220 PolarHBondContact O-N 3.3Å; V218-M221 WeakPolarHBondContact O-CG 3.36Å; V218-M221 PolarHBondContact O-N 3.38Å; V218-Y222 HydrophobicContact CG1-CD2 3.95Å; V218-Y222 HydrophobicContact CG1-CE2 4.2Å; V218-Y222 VanDerWaalsContact O-CD2 3.26Å; V218-Y222 WeakPolarHBondContact O-CD2 3.45Å; V218-Y222 PolarHBondContact O-N 2.77Å; V218-L260 HydrophobicContact CG2-CD1 3.86Å; V218-L260 HydrophobicContact CG2-CD2 4.41Å; V218-I285 HydrophobicContact CB-CD1 4.01Å; V218-I285 HydrophobicContact CG1-CD1 3.33Å; V218-I285 HydrophobicContact CG1-CG1 4.49Å
219	C	95.9	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-43.7	175.9	-73.2	0	0	0	0	111.6	S215 R216 Y222 G223 F224 C287	S215-C219 WeakPolarHBondContact O-CB 3.46Å; S215-C219 PolarHBondContact O-N 3.25Å; S215-C219 PolarHBondContact O-SG 3.23Å; S215-C219 VanDerWaalsContact O-SG 3.41Å; R216-C219 PolarHBondContact O-N 3.31Å; C219-Y222 CarbonylContact O-C 3.54Å; C219-Y222 PolarHBondContact O-N 3.25Å; C219-G223 PolarHBondContact O-N 3.37Å; C219-F224 CarbonylContact C-O 3.54Å; C219-F224 HydrophobicContact CB-CB 4.13Å; C219-F224 WeakPolarHBondContact O-CB 3.28Å; C219-F224 PolarHBondContact O-N 2.85Å; C219-C287 WeakPolarHBondContact CA-SG 3.3Å; C219-C287 HydrophobicContact CB-CB 3.83Å; C219-C287 WeakPolarHBondContact CB-SG 3.48Å; C219-C287 VanDerWaalsContact SG-CA 3.52Å; C219-C287 WeakPolarHBondContact SG-CB 3.41Å; C219-C287 CovalentContact SG-SG 2.05Å; C219-C287 PolarHBondContact SG-SG 2.73Å
220	G	95.3	Very high	93.4	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-51.3	177.2	0	0	0	0	0	113	R216 V217 V218 Y222 G223 G356 S357 N411	R216-G220 PolarHBondContact O-N 3.18Å; V217-G220 PolarHBondContact O-N 3.39Å; V218-G220 VanDerWaalsContact C-N 3.32Å; V218-G220 PolarHBondContact O-N 3.3Å; G220-Y222 PolarHBondContact O-N 3.08Å; G220-Y222 VanDerWaalsContact O-N 3.14Å; G220-G223 PolarHBondContact O-N 3.04Å; G220-G356 VanDerWaalsContact O-CA 3.23Å; G220-G356 WeakPolarHBondContact O-CA 3.43Å; G220-S357 PolarHBondContact O-N 3.11Å; G220-S357 PolarHBondContact O-OG 3.48Å; G220-N411 WeakPolarHBondContact O-CB 3.16Å
221	M	94.2	Very high	93.3	Very high	23 Å²	23	43.2 Å²	43.2	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-21.7	179.5	68.9	174.4	-77.5	0	0	113.1	V175 V217 V218 G223 A258 H259 L260 S357 N411	V175-M221 HydrophobicContact CB-CE 3.92Å; V175-M221 HydrophobicContact CB-SD 4.4Å; V175-M221 HydrophobicContact CG1-SD 4.48Å; V175-M221 HydrophobicContact CG2-CE 4.18Å; V175-M221 HydrophobicContact CG2-SD 4.43Å; V217-M221 WeakPolarHBondContact O-CG 3.48Å; V217-M221 PolarHBondContact O-N 3Å; V218-M221 WeakPolarHBondContact O-CG 3.36Å; V218-M221 PolarHBondContact O-N 3.38Å; M221-G223 VanDerWaalsContact C-N 3.33Å; M221-A258 WeakPolarHBondContact CB-O 3.19Å; M221-H259 WeakPolarHBondContact CE-CD2 3.48Å; M221-H259 WeakPolarHBondContact CE-NE2 3.1Å; M221-L260 HydrophobicContact SD-CB 4.06Å; M221-S357 PolarHBondContact N-OG 3.36Å; M221-N411 PolarHBondContact O-OD1 3.48Å
222	Y	93.1	Very high	93.1	Very high	60 Å²	60	42.9 Å²	42.9	24%	0.235	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6	174.4	-85.2	-79.6	0	0	0	114.1	V175 R176 I177 V218 C219 G220 P413	V175-Y222 VanDerWaalsContact C-OH 3.27Å; V175-Y222 HydrophobicContact CG1-CE2 4.45Å; V175-Y222 PolarHBondContact O-OH 3.13Å; R176-Y222 VanDerWaalsContact CA-OH 3.22Å; R176-Y222 WeakPolarHBondContact CA-OH 3.42Å; I177-Y222 HydrophobicContact CD1-CD1 4.07Å; I177-Y222 HydrophobicContact CD1-CD2 3.7Å; I177-Y222 HydrophobicContact CD1-CE2 4.23Å; I177-Y222 HydrophobicContact CD1-CG 3.64Å; I177-Y222 HydrophobicContact CG1-CD1 4.37Å; I177-Y222 HydrophobicContact CG1-CD2 3.87Å; I177-Y222 HydrophobicContact CG1-CE1 4.34Å; I177-Y222 HydrophobicContact CG1-CE2 3.87Å; I177-Y222 HydrophobicContact CG1-CG 4.15Å; V218-Y222 HydrophobicContact CG1-CD2 3.95Å; V218-Y222 HydrophobicContact CG1-CE2 4.2Å; V218-Y222 VanDerWaalsContact O-CD2 3.26Å; V218-Y222 WeakPolarHBondContact O-CD2 3.45Å; V218-Y222 PolarHBondContact O-N 2.77Å; C219-Y222 CarbonylContact O-C 3.54Å; C219-Y222 PolarHBondContact O-N 3.25Å; G220-Y222 PolarHBondContact O-N 3.08Å; G220-Y222 VanDerWaalsContact O-N 3.14Å; Y222-P413 VanDerWaalsContact O-CA 3.32Å; Y222-P413 WeakPolarHBondContact O-CA 3.27Å
223	G	93.9	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	19.8	174.9	0	0	0	0	0	115.3	C219 G220 M221 F355 G356 N411 P413	C219-G223 PolarHBondContact O-N 3.37Å; G220-G223 PolarHBondContact O-N 3.04Å; M221-G223 VanDerWaalsContact C-N 3.33Å; G223-F355 CarbonylContact O-C 3.57Å; G223-G356 VanDerWaalsContact C-CA 3.43Å; G223-G356 PolarHBondContact O-N 3.36Å; G223-N411 VanDerWaalsContact CA-C 3.46Å; G223-N411 WeakPolarHBondContact CA-O 3.44Å; G223-P413 VanDerWaalsContact O-CD 3.26Å; G223-P413 WeakPolarHBondContact O-CD 3.29Å; G223-P413 WeakPolarHBondContact O-CG 3.35Å
224	F	94.9	Very high	92.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	22%	0.223	C	C	.	.			trans	-105.3	130.8	178.8	-55.2	-60	0	0	0	111.4	I177 P188 I189 T190 C219 G226 C287 P289 F355 P413	I177-F224 HydrophobicContact CD1-CE2 4.45Å; P188-F224 HydrophobicContact CB-CE1 4.11Å; P188-F224 HydrophobicContact CB-CZ 3.99Å; P188-F224 HydrophobicContact CG-CE1 3.8Å; P188-F224 HydrophobicContact CG-CZ 4.14Å; I189-F224 WeakPolarHBondContact O-CE2 3.36Å; I189-F224 WeakPolarHBondContact O-CZ 3.4Å; T190-F224 HydrophobicContact CG2-CE1 3.88Å; T190-F224 HydrophobicContact CG2-CZ 3.92Å; C219-F224 CarbonylContact C-O 3.54Å; C219-F224 HydrophobicContact CB-CB 4.13Å; C219-F224 WeakPolarHBondContact O-CB 3.28Å; C219-F224 PolarHBondContact O-N 2.85Å; F224-G226 PolarHBondContact O-N 2.86Å; F224-C287 HydrophobicContact CB-CB 3.65Å; F224-C287 HydrophobicContact CD1-CB 4.37Å; F224-C287 HydrophobicContact CD2-CB 3.36Å; F224-C287 HydrophobicContact CE2-CB 4.04Å; F224-C287 HydrophobicContact CG-CB 3.54Å; F224-P289 HydrophobicContact CD1-CB 4.28Å; F224-P289 HydrophobicContact CE1-CB 4.28Å; F224-F355 CarbonylContact C-O 3.46Å; F224-P413 HydrophobicContact CD1-CG 3.94Å; F224-P413 HydrophobicContact CE1-CB 3.9Å; F224-P413 HydrophobicContact CE1-CG 3.76Å; F224-P413 HydrophobicContact CZ-CB 4.28Å
225	P	93.7	Very high	92.5	Very high	23 Å²	23	46.5 Å²	46.5	15%	0.149	22%	0.224	C	C	.	.	S	Bend	trans	-68.4	-15.8	-174.7	24.2	-36.5	0	0	0	114.8	I288 R351 G354 F355	P225-I288 VanDerWaalsContact CD-O 3.26Å; P225-I288 WeakPolarHBondContact CD-O 3.11Å; P225-R351 HydrophobicContact CB-CB 4.49Å; P225-R351 PolarHBondContact O-NE 3.43Å; P225-R351 VanDerWaalsContact O-NE 3.11Å; P225-G354 WeakPolarHBondContact CD-O 3Å; P225-F355 WeakPolarHBondContact CA-O 3.18Å; P225-F355 VanDerWaalsContact CB-O 3.23Å; P225-F355 WeakPolarHBondContact CB-O 3.39Å; P225-F355 WeakPolarHBondContact CD-O 3.23Å; P225-F355 VanDerWaalsContact N-O 3.11Å
226	G	92.5	Very high	92.2	Very high	13 Å²	13	51.4 Å²	51.4	13%	0.134	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	176	176.9	0	0	0	0	0	114.2	F224 I288	F224-G226 PolarHBondContact O-N 2.86Å; G226-I288 PolarHBondContact O-N 2.96Å
227	E	93.5	Very high	91.8	Very high	36 Å²	36	55 Å²	55	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	160	-179	65.4	-75.2	-179.3	0	0	111.6	E212 S286 I288	E212-E227 HydrophobicContact CG-CG 4Å; E212-E227 WeakPolarHBondContact CG-OE1 3.44Å; E227-S286 CarbonylContact C-O 3.45Å; E227-S286 WeakPolarHBondContact CA-O 3.33Å; E227-I288 VanDerWaalsContact O-CD1 3.31Å; E227-I288 WeakPolarHBondContact O-CD1 3.43Å
228	K	91.1	Very high	91.5	Very high	98 Å²	98	58.2 Å²	58.2	43%	0.426	28%	0.281	S	S	.	.			trans	-139.9	161.3	173.2	66.4	178	-178.8	-175.7	0	112	S286 I288	K228-S286 WeakPolarHBondContact CE-OG 3.41Å; K228-S286 PolarHBondContact N-O 2.81Å; K228-I288 HydrophobicContact CB-CD1 4.08Å; K228-I288 HydrophobicContact CB-CG1 3.83Å; K228-I288 HydrophobicContact CD-CG1 4.2Å; K228-I288 HydrophobicContact CG-CG1 4.17Å
229	H	88.9	Confident	91.1	Very high	177 Å²	177	58.9 Å²	58.9	82%	0.819	29%	0.287	S	S	*	.			trans	-67.2	144.5	172.8	-62.2	-57.4	0	0	0	112.3
230	F	88.5	Confident	90.6	Very high	62 Å²	62	67.2 Å²	67.2	27%	0.272	32%	0.323	S	S	.	.			trans	-130.5	158.8	177.6	66.2	-86.6	0	0	0	111.5	V232 Y235 V284	F230-V232 HydrophobicContact CD2-CG2 4.36Å; F230-V232 HydrophobicContact CE2-CB 4.38Å; F230-V232 HydrophobicContact CE2-CG2 3.87Å; F230-V232 HydrophobicContact CZ-CG2 4.3Å; F230-V232 PolarHBondContact O-N 2.58Å; F230-Y235 AromaticContact CD2-CD2 3.85Å; F230-Y235 HydrophobicContact CD2-CD2 3.85Å; F230-Y235 HydrophobicContact CD2-CE2 4Å; F230-Y235 HydrophobicContact CE2-CD2 4.08Å; F230-V284 HydrophobicContact CD1-CG1 4.48Å; F230-V284 HydrophobicContact CD2-CG1 3.93Å; F230-V284 HydrophobicContact CE1-CB 4.27Å; F230-V284 HydrophobicContact CE1-CG1 4.15Å; F230-V284 WeakPolarHBondContact CE1-O 3.23Å; F230-V284 HydrophobicContact CE2-CB 3.75Å; F230-V284 HydrophobicContact CE2-CG1 3.54Å; F230-V284 HydrophobicContact CG-CG1 4.4Å; F230-V284 HydrophobicContact CZ-CB 3.57Å; F230-V284 HydrophobicContact CZ-CG1 3.68Å
231	N	88.7	Confident	89.9	Confident	101 Å²	101	77.4 Å²	77.4	54%	0.54	36%	0.359	S	S	.	.			trans	-77.7	114.5	175.5	-175.8	-9.9	0	0	0	110.2	R233 P234 Y235	N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 2.81Å; N231-R233 WeakPolarHBondContact OD1-CB 3.35Å; N231-R233 WeakPolarHBondContact OD1-CG 3.04Å; N231-R233 PolarHBondContact OD1-N 3.01Å; N231-P234 VanDerWaalsContact O-CD 3.26Å; N231-P234 WeakPolarHBondContact O-CD 3.2Å; N231-Y235 WeakPolarHBondContact O-CD2 3.34Å
232	V	89	Confident	89.1	Confident	56 Å²	56	79.3 Å²	79.3	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-72.8	-21.8	-175.7	-171.9	0	0	0	0	113	F230 Y235 K236 M281	F230-V232 HydrophobicContact CD2-CG2 4.36Å; F230-V232 HydrophobicContact CE2-CB 4.38Å; F230-V232 HydrophobicContact CE2-CG2 3.87Å; F230-V232 HydrophobicContact CZ-CG2 4.3Å; F230-V232 PolarHBondContact O-N 2.58Å; V232-Y235 PolarHBondContact O-N 2.73Å; V232-K236 HydrophobicContact CG1-CD 4.02Å; V232-K236 HydrophobicContact CG1-CG 4Å; V232-K236 PolarHBondContact O-N 3.23Å; V232-M281 HydrophobicContact CG1-SD 4.01Å
233	R	89.4	Confident	88.2	Confident	196 Å²	196	85.2 Å²	85.2	74%	0.74	39%	0.392	S	S	*	.	H	α-helix	trans	-59.7	-48.7	-171.8	-62.6	179	-179.5	176.8	0.6	114	N231 Y235 K236 L237	N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 2.81Å; N231-R233 WeakPolarHBondContact OD1-CB 3.35Å; N231-R233 WeakPolarHBondContact OD1-CG 3.04Å; N231-R233 PolarHBondContact OD1-N 3.01Å; R233-Y235 VanDerWaalsContact C-N 3.31Å; R233-Y235 PolarHBondContact O-N 3.35Å; R233-K236 PolarHBondContact O-N 2.69Å; R233-L237 PolarHBondContact O-N 3.1Å
234	P	89.5	Confident	87.4	Confident	63 Å²	63	89.8 Å²	89.8	41%	0.409	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-37.7	179	-21.2	35.2	0	0	0	112.3	N231 L237 L238	N231-P234 VanDerWaalsContact O-CD 3.26Å; N231-P234 WeakPolarHBondContact O-CD 3.2Å; P234-L237 PolarHBondContact O-N 3.05Å; P234-L238 WeakPolarHBondContact O-CG 3.22Å; P234-L238 PolarHBondContact O-N 2.04Å
235	Y	89.8	Confident	86.9	Confident	8 Å²	8	92.3 Å²	92.3	3%	0.031	43%	0.426	C	S	.	.	H	α-helix	trans	-69.1	-37.6	179.5	-67.9	-82.2	0	0	0	112.5	T180 E191 F193 F230 N231 V232 R233 L237 L238 A239 M281 V284	T180-Y235 HydrophobicContact CG2-CD1 4.11Å; T180-Y235 HydrophobicContact CG2-CE1 3.42Å; T180-Y235 VanDerWaalsContact CG2-CE1 3.42Å; E191-Y235 VanDerWaalsContact CD-OH 3.27Å; E191-Y235 VanDerWaalsContact CG-OH 3.27Å; E191-Y235 WeakPolarHBondContact CG-OH 3.38Å; E191-Y235 VanDerWaalsContact OE1-CE2 3.23Å; E191-Y235 WeakPolarHBondContact OE1-CE2 3.18Å; E191-Y235 PolarHBondContact OE1-OH 3.45Å; F193-Y235 AromaticContact CE1-CD1 3.94Å; F193-Y235 HydrophobicContact CE1-CD1 3.94Å; F193-Y235 AromaticContact CE2-CD1 3.98Å; F193-Y235 HydrophobicContact CE2-CD1 3.98Å; F193-Y235 HydrophobicContact CE2-CE1 4.48Å; F193-Y235 AromaticContact CZ-CD1 3.67Å; F193-Y235 HydrophobicContact CZ-CD1 3.67Å; F193-Y235 HydrophobicContact CZ-CG 4.49Å; F230-Y235 AromaticContact CD2-CD2 3.85Å; F230-Y235 HydrophobicContact CD2-CD2 3.85Å; F230-Y235 HydrophobicContact CD2-CE2 4Å; F230-Y235 HydrophobicContact CE2-CD2 4.08Å; N231-Y235 WeakPolarHBondContact O-CD2 3.34Å; V232-Y235 PolarHBondContact O-N 2.73Å; R233-Y235 VanDerWaalsContact C-N 3.31Å; R233-Y235 PolarHBondContact O-N 3.35Å; Y235-L237 VanDerWaalsContact C-N 3.32Å; Y235-L237 PolarHBondContact O-N 3.28Å; Y235-L238 PolarHBondContact O-N 3.13Å; Y235-A239 VanDerWaalsContact O-CB 3.24Å; Y235-A239 WeakPolarHBondContact O-CB 3.35Å; Y235-A239 PolarHBondContact O-N 3.38Å; Y235-M281 VanDerWaalsContact C-CE 3.45Å; Y235-V284 HydrophobicContact CD1-CB 4.37Å; Y235-V284 HydrophobicContact CD1-CG1 3.79Å; Y235-V284 HydrophobicContact CD1-CG2 3.59Å; Y235-V284 HydrophobicContact CD2-CG1 4.13Å; Y235-V284 HydrophobicContact CE1-CG1 3.76Å; Y235-V284 HydrophobicContact CE1-CG2 4.3Å; Y235-V284 HydrophobicContact CE2-CG1 4.12Å; Y235-V284 HydrophobicContact CG-CG1 4Å; Y235-V284 HydrophobicContact CG-CG2 3.84Å
236	K	88.8	Confident	86.5	Confident	121 Å²	121	91.8 Å²	91.8	53%	0.526	42%	0.421	S	S	.	.	H	α-helix	trans	-58.9	-43.3	171.9	-80.7	177.3	176.3	-179.7	0	111.8	V232 R233 A239 K240 M281	V232-K236 HydrophobicContact CG1-CD 4.02Å; V232-K236 HydrophobicContact CG1-CG 4Å; V232-K236 PolarHBondContact O-N 3.23Å; R233-K236 PolarHBondContact O-N 2.69Å; K236-A239 PolarHBondContact O-N 2.87Å; K236-K240 WeakPolarHBondContact O-CG 3.24Å; K236-K240 PolarHBondContact O-N 3.02Å; K236-M281 HydrophobicContact CB-SD 4.41Å; K236-M281 HydrophobicContact CD-SD 4.48Å; K236-M281 HydrophobicContact CG-CE 4.31Å; K236-M281 HydrophobicContact CG-SD 3.41Å; K236-M281 WeakPolarHBondContact CG-SD 3.13Å
237	L	88	Confident	86.1	Confident	107 Å²	107	91.3 Å²	91.3	56%	0.56	42%	0.415	S	S	*	.	H	α-helix	trans	-65.3	-44.5	177.4	-73.6	165.5	0	0	0	111.9	R233 P234 Y235 K240	R233-L237 PolarHBondContact O-N 3.1Å; P234-L237 PolarHBondContact O-N 3.05Å; Y235-L237 VanDerWaalsContact C-N 3.32Å; Y235-L237 PolarHBondContact O-N 3.28Å; L237-K240 PolarHBondContact O-N 3.03Å
238	L	87.9	Confident	85.3	Confident	69 Å²	69	89.9 Å²	89.9	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-41.4	177	-72.1	169.7	0	0	0	111.8	T180 F193 P234 Y235 K240 R241 R242	T180-L238 HydrophobicContact CG2-CD1 3.69Å; F193-L238 HydrophobicContact CE2-CB 4.28Å; F193-L238 HydrophobicContact CZ-CB 4.06Å; P234-L238 WeakPolarHBondContact O-CG 3.22Å; P234-L238 PolarHBondContact O-N 2.04Å; Y235-L238 PolarHBondContact O-N 3.13Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.31Å; L238-R241 PolarHBondContact O-N 2.81Å; L238-R241 VanDerWaalsContact O-N 3.13Å; L238-R242 WeakPolarHBondContact O-CG 3.17Å; L238-R242 PolarHBondContact O-N 3.48Å
239	A	86.8	Confident	84.8	Confident	14 Å²	14	86.6 Å²	86.6	12%	0.116	40%	0.396	C	S	.	.	H	α-helix	trans	-59.7	-39.7	178.7	0	0	0	0	0	112.4	Y235 K236 R241 R242 M281 P282	Y235-A239 VanDerWaalsContact O-CB 3.24Å; Y235-A239 WeakPolarHBondContact O-CB 3.35Å; Y235-A239 PolarHBondContact O-N 3.38Å; K236-A239 PolarHBondContact O-N 2.87Å; A239-R241 PolarHBondContact O-N 3.21Å; A239-R242 PolarHBondContact O-N 3.49Å; A239-M281 HydrophobicContact CB-CB 4.15Å; A239-M281 HydrophobicContact CB-CE 4.3Å; A239-P282 HydrophobicContact CB-CG 4.37Å
240	K	84.3	Confident	84.5	Confident	175 Å²	175	78.5 Å²	78.5	76%	0.761	36%	0.359	S	S	*	.	H	α-helix	trans	-60.8	-30.5	176.3	-73.3	-177.9	-179.4	-173.3	0	113.6	K236 L237 L238	K236-K240 WeakPolarHBondContact O-CG 3.24Å; K236-K240 PolarHBondContact O-N 3.02Å; L237-K240 PolarHBondContact O-N 3.03Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.31Å
241	R	82.5	Confident	84.4	Confident	219 Å²	219	75.9 Å²	75.9	83%	0.826	35%	0.348	S	S	*	.	H	α-helix	trans	-88.4	-9	-178.3	-64.3	-179.2	-179.6	174.1	-0.2	113.4	L238 A239	L238-R241 PolarHBondContact O-N 2.81Å; L238-R241 VanDerWaalsContact O-N 3.13Å; A239-R241 PolarHBondContact O-N 3.21Å
242	R	75.5	Confident	84.4	Confident	63 Å²	63	75.6 Å²	75.6	24%	0.238	35%	0.347	C	S	.	.	S	Bend	trans	-94.1	148.5	-175.7	-71.4	-177.2	80.4	-170.9	-5.4	111.2	R178 E195 L238 A239 K244	R178-R242 VanDerWaalsContact CZ-NH2 3.33Å; E195-R242 IonicContact OE1-CZ 2.7Å; E195-R242 IonicContact OE1-NH1 2.71Å; E195-R242 IonicContact OE1-NH2 3.76Å; E195-R242 PolarHBondContact OE1-NH2 3.34Å; L238-R242 WeakPolarHBondContact O-CG 3.17Å; L238-R242 PolarHBondContact O-N 3.48Å; A239-R242 PolarHBondContact O-N 3.49Å; R242-K244 PolarHBondContact O-N 3.08Å
243	K	75.5	Confident	84.5	Confident	185 Å²	185	73.2 Å²	73.2	80%	0.804	33%	0.332	S	S	*	.			trans	-61.6	123	169	-171.7	176.1	-177.5	178.2	0	108.7	N245	K243-N245 PolarHBondContact O-N 2.64Å
244	K	77.3	Confident	84.5	Confident	95 Å²	95	67.7 Å²	67.7	41%	0.413	32%	0.321	S	S	.	.			trans	-72.2	110	175.9	-61.9	-179.8	-178.7	-176.5	0	108.1	R242 Y246 N274	R242-K244 PolarHBondContact O-N 3.08Å; K244-Y246 HydrophobicContact CB-CD2 4.21Å; K244-Y246 HydrophobicContact CB-CE2 3.96Å; K244-Y246 HydrophobicContact CG-CE2 4.19Å; K244-N274 VanDerWaalsContact CD-O 3.28Å; K244-N274 WeakPolarHBondContact CD-O 3.5Å
245	N	83.9	Confident	84.6	Confident	58 Å²	58	65 Å²	65	31%	0.31	30%	0.304	S	S	.	.			trans	-138.4	83.6	173.7	-178.1	37.5	0	0	0	107.6	W202 R203 Q204 K243	W202-N245 PolarHBondContact O-ND2 2.79Å; R203-N245 CarbonylContact C-O 3.55Å; R203-N245 WeakPolarHBondContact CA-O 3.29Å; Q204-N245 PolarHBondContact N-O 3.36Å; K243-N245 PolarHBondContact O-N 2.64Å
246	Y	85.5	Confident	84.4	Confident	11 Å²	11	65.1 Å²	65.1	4%	0.043	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-93.4	157.5	-175.7	-69.1	-103.5	0	0	0	111.8	Q204 C206 K244 T276 C277 M281 P282	Q204-Y246 HydrophobicContact CB-CD1 3.97Å; Q204-Y246 HydrophobicContact CB-CE1 4.25Å; Q204-Y246 HydrophobicContact CB-CG 4.26Å; Q204-Y246 CarbonylContact O-C 3.42Å; Q204-Y246 WeakPolarHBondContact O-CA 3.49Å; Q204-Y246 WeakPolarHBondContact O-CB 3.22Å; Q204-Y246 WeakPolarHBondContact O-CD1 3.4Å; C206-Y246 HydrophobicContact CB-CD1 3.92Å; C206-Y246 HydrophobicContact CB-CE1 4.15Å; K244-Y246 HydrophobicContact CB-CD2 4.21Å; K244-Y246 HydrophobicContact CB-CE2 3.96Å; K244-Y246 HydrophobicContact CG-CE2 4.19Å; Y246-T276 WeakPolarHBondContact CB-OG1 3.44Å; Y246-T276 WeakPolarHBondContact CD2-O 3.42Å; Y246-T276 WeakPolarHBondContact CD2-OG1 3.2Å; Y246-T276 WeakPolarHBondContact CE2-O 3.43Å; Y246-C277 HydrophobicContact CD1-CB 3.91Å; Y246-C277 HydrophobicContact CD2-CB 4.5Å; Y246-C277 HydrophobicContact CE1-CB 3.51Å; Y246-C277 HydrophobicContact CE2-CB 4.1Å; Y246-C277 HydrophobicContact CG-CB 4.36Å; Y246-M281 WeakPolarHBondContact OH-CA 3.17Å; Y246-P282 HydrophobicContact CE1-CB 4.4Å; Y246-P282 HydrophobicContact CE1-CG 4.12Å; Y246-P282 WeakPolarHBondContact OH-CD 3.39Å; Y246-P282 WeakPolarHBondContact OH-CG 3.02Å
247	W	83.9	Confident	84.4	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.011	29%	0.285	C	S	.	.			trans	-80.6	146.8	168.1	-170	47.1	0	0	0	109.8	V170 V172 V196 R203 Q204 I205 F249 V251 L265	V170-W247 HydrophobicContact CG1-CH2 4.42Å; V170-W247 HydrophobicContact CG1-CZ2 3.5Å; V172-W247 HydrophobicContact CG2-CH2 3.39Å; V172-W247 HydrophobicContact CG2-CZ2 3.36Å; V172-W247 HydrophobicContact CG2-CZ3 4.39Å; V196-W247 HydrophobicContact CG2-CB 3.79Å; V196-W247 HydrophobicContact CG2-CD2 3.56Å; V196-W247 HydrophobicContact CG2-CE3 3.83Å; V196-W247 HydrophobicContact CG2-CG 3.56Å; R203-W247 HydrophobicContact CB-CB 3.87Å; Q204-W247 PolarHBondContact O-N 3.26Å; I205-W247 HydrophobicContact CG1-CE3 4.48Å; W247-F249 HydrophobicContact CD2-CB 4.33Å; W247-F249 HydrophobicContact CD2-CD2 4.33Å; W247-F249 AromaticContact CE2-CD2 3.82Å; W247-F249 HydrophobicContact CE3-CB 4.24Å; W247-F249 HydrophobicContact CH2-CB 4.26Å; W247-F249 HydrophobicContact CZ2-CB 4.34Å; W247-F249 HydrophobicContact CZ2-CD2 4.11Å; W247-F249 HydrophobicContact CZ3-CB 4.22Å; W247-F249 AromaticContact NE1-CD2 3.83Å; W247-F249 PolarHBondContact O-N 2.76Å; W247-V251 HydrophobicContact CH2-CG2 4.35Å; W247-V251 HydrophobicContact CZ3-CG2 3.6Å; W247-L265 HydrophobicContact CH2-CD2 3.57Å; W247-L265 HydrophobicContact CZ2-CD2 4.14Å; W247-L265 HydrophobicContact CZ3-CD2 4.42Å
248	G	77.2	Confident	84.3	Confident	6 Å²	6	56.3 Å²	56.3	6%	0.062	27%	0.266	C	S	.	.	S	Bend	trans	-77.8	1.9	-170.3	0	0	0	0	0	115.1	I269	G248-I269 PolarHBondContact O-N 3.49Å
249	F	80.9	Confident	84.2	Confident	30 Å²	30	55.8 Å²	55.8	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.4	-171.7	-55.3	-81.5	0	0	0	110.6	L168 V170 W247 L265 E268	L168-F249 HydrophobicContact CD2-CE1 4.23Å; L168-F249 HydrophobicContact CD2-CZ 3.65Å; V170-F249 HydrophobicContact CB-CD2 4.45Å; V170-F249 HydrophobicContact CB-CE2 4.18Å; V170-F249 HydrophobicContact CB-CZ 4.45Å; V170-F249 HydrophobicContact CG1-CD2 3.56Å; V170-F249 HydrophobicContact CG1-CE2 3.67Å; V170-F249 HydrophobicContact CG1-CG 4.18Å; V170-F249 HydrophobicContact CG1-CZ 4.37Å; V170-F249 HydrophobicContact CG2-CD1 4.26Å; V170-F249 HydrophobicContact CG2-CD2 3.99Å; V170-F249 HydrophobicContact CG2-CE1 3.7Å; V170-F249 HydrophobicContact CG2-CE2 3.4Å; V170-F249 HydrophobicContact CG2-CG 4.41Å; V170-F249 HydrophobicContact CG2-CZ 3.25Å; W247-F249 HydrophobicContact CD2-CB 4.33Å; W247-F249 HydrophobicContact CD2-CD2 4.33Å; W247-F249 AromaticContact CE2-CD2 3.82Å; W247-F249 HydrophobicContact CE3-CB 4.24Å; W247-F249 HydrophobicContact CH2-CB 4.26Å; W247-F249 HydrophobicContact CZ2-CB 4.34Å; W247-F249 HydrophobicContact CZ2-CD2 4.11Å; W247-F249 HydrophobicContact CZ3-CB 4.22Å; W247-F249 AromaticContact NE1-CD2 3.83Å; W247-F249 PolarHBondContact O-N 2.76Å; F249-L265 HydrophobicContact CB-CD2 4.27Å; F249-E268 HydrophobicContact CD1-CB 4.31Å; F249-E268 HydrophobicContact CD1-CG 4.31Å; F249-E268 HydrophobicContact CE1-CB 4.11Å; F249-E268 HydrophobicContact CE1-CG 3.8Å; F249-E268 HydrophobicContact CZ-CG 4.44Å
250	S	82.1	Confident	84.2	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	165.4	160	58.5	0	0	0	0	110.5	D209 G266 K267	D209-S250 PolarHBondContact OD2-OG 3.15Å; S250-G266 WeakPolarHBondContact O-CA 3.37Å; S250-G266 PolarHBondContact O-N 2.98Å; S250-G266 WeakPolarHBondContact OG-CA 3.03Å; S250-K267 PolarHBondContact N-O 2.74Å; S250-K267 PolarHBondContact OG-N 3.03Å; S250-K267 VanDerWaalsContact OG-N 3.11Å
251	V	85.9	Confident	84.1	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.6	176.7	-172.1	0	0	0	0	108.4	N214 W247 L260 C263	N214-V251 PolarHBondContact ND2-O 2.84Å; N214-V251 PolarHBondContact OD1-O 3.5Å; W247-V251 HydrophobicContact CH2-CG2 4.35Å; W247-V251 HydrophobicContact CZ3-CG2 3.6Å; V251-L260 HydrophobicContact CB-CD1 4.45Å; V251-L260 HydrophobicContact CG1-CD1 3.83Å; V251-L260 HydrophobicContact CG1-CG 4.32Å; V251-L260 HydrophobicContact CG2-CD1 4.49Å; V251-C263 HydrophobicContact CG1-CB 3.45Å; V251-C263 VanDerWaalsContact CG1-CB 3.45Å
252	N	88.4	Confident	84.1	Confident	96 Å²	96	43 Å²	43	51%	0.513	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	93.7	177	-172	15.8	0	0	0	110	K264	N252-K264 PolarHBondContact N-O 3.03Å; N252-K264 PolarHBondContact O-N 2.89Å; N252-K264 VanDerWaalsContact O-N 3.17Å
253	C	90.7	Very high	84.5	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.034	21%	0.21	C	C	.	.			trans	-91.6	149.5	177.3	-59.4	0	0	0	0	112	N214 V217 C263	N214-C253 WeakPolarHBondContact OD1-CB 3.26Å; N214-C253 PolarHBondContact OD1-N 3.27Å; N214-C253 PolarHBondContact OD1-SG 2.77Å; V217-C253 HydrophobicContact CB-CB 4.37Å; V217-C253 HydrophobicContact CG2-CB 3.66Å; C253-C263 HydrophobicContact CB-CB 3.94Å; C253-C263 WeakPolarHBondContact CB-SG 3.38Å; C253-C263 WeakPolarHBondContact SG-CB 3.48Å; C253-C263 CovalentContact SG-SG 2.04Å; C253-C263 PolarHBondContact SG-SG 2.65Å
254	T	91.1	Very high	84.9	Confident	81 Å²	81	38.5 Å²	38.5	50%	0.497	20%	0.203	S	C	.	.			trans	-81.7	-24.1	170.1	63.8	0	0	0	0	112.5	E257	T254-E257 WeakPolarHBondContact CB-OE1 3.39Å; T254-E257 WeakPolarHBondContact CG2-OE1 3.35Å; T254-E257 VanDerWaalsContact N-CD 3.35Å; T254-E257 PolarHBondContact N-OE1 2.9Å; T254-E257 PolarHBondContact N-OE2 2.86Å; T254-E257 VanDerWaalsContact N-OE2 3.11Å; T254-E257 PolarHBondContact OG1-OE1 3.41Å; T254-E257 PolarHBondContact OG1-OE2 2.87Å
255	G	89.8	Confident	85.1	Confident	5 Å²	5	36 Å²	36	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	109.9	-16.6	179.9	0	0	0	0	0	113.8	R216 E257	R216-G255 WeakPolarHBondContact CD-O 3.24Å; R216-G255 WeakPolarHBondContact CG-O 3.07Å; G255-E257 PolarHBondContact N-OE2 3.24Å
256	N	87.2	Confident	84.6	Confident	11 Å²	11	34.5 Å²	34.5	6%	0.059	19%	0.192	C	C	.	.			trans	-103.2	1	-176.2	-65.5	-31.9	0	0	0	113.4	S382 G383	N256-S382 PolarHBondContact ND2-O 2.79Å; N256-G383 WeakPolarHBondContact OD1-CA 3.22Å; N256-G383 PolarHBondContact OD1-O 3.35Å
257	E	88.8	Confident	84	Confident	24 Å²	24	41.7 Å²	41.7	11%	0.112	22%	0.223	C	C	.	.			trans	-66.7	140.5	179	-64.2	86.1	174.4	0	0	111.9	V217 T254 G255 H259 D262	V217-E257 HydrophobicContact CG1-CB 4.08Å; V217-E257 HydrophobicContact CG2-CB 4.05Å; V217-E257 VanDerWaalsContact CG2-OE2 3.28Å; V217-E257 WeakPolarHBondContact CG2-OE2 3.5Å; T254-E257 WeakPolarHBondContact CB-OE1 3.39Å; T254-E257 WeakPolarHBondContact CG2-OE1 3.35Å; T254-E257 VanDerWaalsContact N-CD 3.35Å; T254-E257 PolarHBondContact N-OE1 2.9Å; T254-E257 PolarHBondContact N-OE2 2.86Å; T254-E257 VanDerWaalsContact N-OE2 3.11Å; T254-E257 PolarHBondContact OG1-OE1 3.41Å; T254-E257 PolarHBondContact OG1-OE2 2.87Å; G255-E257 PolarHBondContact N-OE2 3.24Å; E257-H259 VanDerWaalsContact C-N 3.35Å; E257-D262 HydrophobicContact CB-CB 4.14Å; E257-D262 HydrophobicContact CG-CB 4.14Å
258	A	84.8	Confident	83.3	Confident	20 Å²	20	47.4 Å²	47.4	17%	0.165	25%	0.25	C	S	.	.	S	Bend	trans	-69.8	-33.8	175.8	0	0	0	0	0	112	M221 S357 A358	M221-A258 WeakPolarHBondContact CB-O 3.19Å; A258-S357 PolarHBondContact O-OG 3.15Å; A258-A358 WeakPolarHBondContact CB-O 3.49Å
259	H	86.4	Confident	82.9	Confident	58 Å²	58	48.5 Å²	48.5	27%	0.269	25%	0.254	S	S	.	.	S	Bend	trans	-141.1	154	-178.8	-168.6	-96.5	0	0	0	112.4	M221 E257 S261 D262	M221-H259 WeakPolarHBondContact CE-CD2 3.48Å; M221-H259 WeakPolarHBondContact CE-NE2 3.1Å; E257-H259 VanDerWaalsContact C-N 3.35Å; H259-S261 WeakPolarHBondContact ND1-CB 3.28Å; H259-S261 PolarHBondContact ND1-N 3.44Å; H259-S261 VanDerWaalsContact ND1-N 3.14Å; H259-S261 PolarHBondContact ND1-OG 3.02Å; H259-S261 PolarHBondContact O-N 3.38Å; H259-S261 VanDerWaalsContact O-N 3.13Å; H259-D262 PolarHBondContact N-OD2 2.95Å; H259-D262 WeakPolarHBondContact O-CB 3.38Å; H259-D262 PolarHBondContact O-N 3.14Å
260	L	85.6	Confident	82	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	179.9	-167.4	69.3	0	0	0	113.3	V175 V196 I205 W210 V218 M221 V251 D262 C263	V175-L260 HydrophobicContact CG1-CD2 4.03Å; V175-L260 HydrophobicContact CG2-CB 3.96Å; V175-L260 HydrophobicContact CG2-CD2 3.81Å; V196-L260 HydrophobicContact CG1-CD2 4.11Å; I205-L260 HydrophobicContact CD1-CD2 3.92Å; W210-L260 HydrophobicContact CH2-CD1 4.44Å; V218-L260 HydrophobicContact CG2-CD1 3.86Å; V218-L260 HydrophobicContact CG2-CD2 4.41Å; M221-L260 HydrophobicContact SD-CB 4.06Å; V251-L260 HydrophobicContact CB-CD1 4.45Å; V251-L260 HydrophobicContact CG1-CD1 3.83Å; V251-L260 HydrophobicContact CG1-CG 4.32Å; V251-L260 HydrophobicContact CG2-CD1 4.49Å; L260-D262 PolarHBondContact O-N 3.31Å; L260-C263 WeakPolarHBondContact O-CB 3.46Å; L260-C263 PolarHBondContact O-N 3.26Å
261	S	82.7	Confident	81	Confident	50 Å²	50	58.3 Å²	58.3	35%	0.35	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23	176.6	56.5	0	0	0	0	113.5	H259 C263	H259-S261 WeakPolarHBondContact ND1-CB 3.28Å; H259-S261 PolarHBondContact ND1-N 3.44Å; H259-S261 VanDerWaalsContact ND1-N 3.14Å; H259-S261 PolarHBondContact ND1-OG 3.02Å; H259-S261 PolarHBondContact O-N 3.38Å; H259-S261 VanDerWaalsContact O-N 3.13Å; S261-C263 VanDerWaalsContact C-N 3.31Å
262	D	82.2	Confident	79.4	Confident	84 Å²	84	64.2 Å²	64.2	45%	0.449	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.2	-177.5	-52.5	-31.7	0	0	0	110.9	E257 H259 L260	E257-D262 HydrophobicContact CB-CB 4.14Å; E257-D262 HydrophobicContact CG-CB 4.14Å; H259-D262 PolarHBondContact N-OD2 2.95Å; H259-D262 WeakPolarHBondContact O-CB 3.38Å; H259-D262 PolarHBondContact O-N 3.14Å; L260-D262 PolarHBondContact O-N 3.31Å
263	C	83.9	Confident	77.9	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.02	34%	0.336	C	S	.	.	S	Bend	trans	-62.9	153.1	173.1	-56.8	0	0	0	0	111.7	V251 C253 L260 S261	V251-C263 HydrophobicContact CG1-CB 3.45Å; V251-C263 VanDerWaalsContact CG1-CB 3.45Å; C253-C263 HydrophobicContact CB-CB 3.94Å; C253-C263 WeakPolarHBondContact CB-SG 3.38Å; C253-C263 WeakPolarHBondContact SG-CB 3.48Å; C253-C263 CovalentContact SG-SG 2.04Å; C253-C263 PolarHBondContact SG-SG 2.65Å; L260-C263 WeakPolarHBondContact O-CB 3.46Å; L260-C263 PolarHBondContact O-N 3.26Å; S261-C263 VanDerWaalsContact C-N 3.31Å
264	K	84.6	Confident	76.1	Confident	149 Å²	149	68.7 Å²	68.7	65%	0.648	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.1	174.3	-66	179.4	-178.4	176.6	0	109	N252 G266	N252-K264 PolarHBondContact N-O 3.03Å; N252-K264 PolarHBondContact O-N 2.89Å; N252-K264 VanDerWaalsContact O-N 3.17Å; K264-G266 PolarHBondContact O-N 2.84Å
265	L	81.2	Confident	74.5	Confident	44 Å²	44	68.5 Å²	68.5	23%	0.23	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.1	169	-67.9	173.1	0	0	0	108.6	V170 W247 F249	V170-L265 HydrophobicContact CB-CD1 3.62Å; V170-L265 HydrophobicContact CG1-CD1 3.76Å; V170-L265 HydrophobicContact CG1-CD2 4.21Å; V170-L265 HydrophobicContact CG2-CD1 4.02Å; W247-L265 HydrophobicContact CH2-CD2 3.57Å; W247-L265 HydrophobicContact CZ2-CD2 4.14Å; W247-L265 HydrophobicContact CZ3-CD2 4.42Å; F249-L265 HydrophobicContact CB-CD2 4.27Å
266	G	73.6	Confident	73.2	Confident	26 Å²	26	68.8 Å²	68.8	27%	0.268	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-155.8	175.1	0	0	0	0	0	111.5	S250 K264	S250-G266 WeakPolarHBondContact O-CA 3.37Å; S250-G266 PolarHBondContact O-N 2.98Å; S250-G266 WeakPolarHBondContact OG-CA 3.03Å; K264-G266 PolarHBondContact O-N 2.84Å
267	K	72.2	Confident	72.6	Confident	161 Å²	161	68.6 Å²	68.6	70%	0.7	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.9	-179.8	-66.3	176.4	-177.9	172.2	0	110.3	S250 I269	S250-K267 PolarHBondContact N-O 2.74Å; S250-K267 PolarHBondContact OG-N 3.03Å; S250-K267 VanDerWaalsContact OG-N 3.11Å; K267-I269 PolarHBondContact O-N 3.16Å
268	E	70.8	Confident	71.5	Confident	124 Å²	124	75.8 Å²	75.8	58%	0.579	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.7	167	-171	178.5	-169.3	0	0	109.2	F249 Q270	F249-E268 HydrophobicContact CD1-CB 4.31Å; F249-E268 HydrophobicContact CD1-CG 4.31Å; F249-E268 HydrophobicContact CE1-CB 4.11Å; F249-E268 HydrophobicContact CE1-CG 3.8Å; F249-E268 HydrophobicContact CZ-CG 4.44Å; E268-Q270 PolarHBondContact O-N 3.25Å
269	I	69	Low	70.8	Confident	29 Å²	29	86.5 Å²	86.5	15%	0.149	43%	0.425	C	S	.	.			trans	-91.1	104.8	-179.9	-55.6	178.5	0	0	0	106.9	C206 G248 K267 L271	C206-I269 HydrophobicContact CB-CD1 3.88Å; G248-I269 PolarHBondContact O-N 3.49Å; K267-I269 PolarHBondContact O-N 3.16Å; I269-L271 PolarHBondContact O-N 3.42Å
270	Q	60.7	Low	70.3	Confident	142 Å²	142	85 Å²	85	66%	0.664	43%	0.425	S	S	*	.			trans	-52.3	113.2	-178.3	-71	-163.4	0.9	0	0	112	E268 K272	E268-Q270 PolarHBondContact O-N 3.25Å; Q270-K272 PolarHBondContact O-N 2.78Å
271	L	61.3	Low	70.4	Confident	101 Å²	101	85.4 Å²	85.4	53%	0.529	43%	0.427	S	S	.	.			trans	-75.7	64.7	-179	-60.8	173.2	0	0	0	111.4	I269 G273 T276	I269-L271 PolarHBondContact O-N 3.42Å; L271-G273 PolarHBondContact O-N 3.43Å; L271-G273 VanDerWaalsContact O-N 3.13Å; L271-T276 HydrophobicContact CB-CG2 4.43Å; L271-T276 HydrophobicContact CD2-CG2 3.34Å; L271-T276 HydrophobicContact CG-CG2 4.48Å
272	K	51.8	Low	70.8	Confident	129 Å²	129	83.1 Å²	83.1	56%	0.561	41%	0.411	S	S	*	.			trans	-81.8	88.5	174.9	-73.2	-171	179.7	179.3	0	111.3	Q270	Q270-K272 PolarHBondContact O-N 2.78Å
273	G	56.8	Low	71.3	Confident	66 Å²	66	79.1 Å²	79.1	68%	0.68	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-145.4	172.5	0	0	0	0	0	114.3	L271 N275	L271-G273 PolarHBondContact O-N 3.43Å; L271-G273 VanDerWaalsContact O-N 3.13Å; G273-N275 PolarHBondContact O-N 3.05Å
274	N	52.7	Low	71.8	Confident	130 Å²	130	79.4 Å²	79.4	70%	0.695	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	4.8	176.8	-94.2	-13	0	0	0	114.6	K244	K244-N274 VanDerWaalsContact CD-O 3.28Å; K244-N274 WeakPolarHBondContact CD-O 3.5Å
275	N	57.9	Low	72.2	Confident	77 Å²	77	72.4 Å²	72.4	41%	0.412	36%	0.361	S	S	.	.			trans	-115.3	55.9	-171.4	-76.6	-25.4	0	0	0	111.5	G273 R278	G273-N275 PolarHBondContact O-N 3.05Å; N275-R278 HydrophobicContact CB-CG 4Å
276	T	62.9	Low	72.8	Confident	10 Å²	10	70.4 Å²	70.4	6%	0.061	35%	0.351	C	S	.	.	S	Bend	trans	-81.4	129.9	161.6	51	0	0	0	0	108.3	Y246 L271	Y246-T276 WeakPolarHBondContact CB-OG1 3.44Å; Y246-T276 WeakPolarHBondContact CD2-O 3.42Å; Y246-T276 WeakPolarHBondContact CD2-OG1 3.2Å; Y246-T276 WeakPolarHBondContact CE2-O 3.43Å; L271-T276 HydrophobicContact CB-CG2 4.43Å; L271-T276 HydrophobicContact CD2-CG2 3.34Å; L271-T276 HydrophobicContact CG-CG2 4.48Å
277	C	74.4	Confident	73.8	Confident	7 Å²	7	69.2 Å²	69.2	5%	0.047	34%	0.338	C	S	.	.	S	Bend	trans	67	68.3	-172.5	-148	0	0	0	0	112.5	C206 Y246 G280	C206-C277 VanDerWaalsContact CA-SG 3.54Å; C206-C277 HydrophobicContact CB-CB 3.68Å; C206-C277 WeakPolarHBondContact CB-SG 3.48Å; C206-C277 VanDerWaalsContact SG-CA 3.55Å; C206-C277 WeakPolarHBondContact SG-CB 3.05Å; C206-C277 CovalentContact SG-SG 2.03Å; C206-C277 PolarHBondContact SG-SG 2.87Å; Y246-C277 HydrophobicContact CD1-CB 3.91Å; Y246-C277 HydrophobicContact CD2-CB 4.5Å; Y246-C277 HydrophobicContact CE1-CB 3.51Å; Y246-C277 HydrophobicContact CE2-CB 4.1Å; Y246-C277 HydrophobicContact CG-CB 4.36Å; C277-G280 WeakPolarHBondContact SG-CA 3.43Å
278	R	65.4	Low	74.8	Confident	175 Å²	175	64.3 Å²	64.3	66%	0.66	32%	0.319	S	S	*	.	S	Bend	trans	-68.7	-36.9	-172.1	-77.8	-174.8	-177.5	-171.5	-1.3	113.1	E208 N275	E208-R278 PolarHBondContact OE1-N 3.29Å; N275-R278 HydrophobicContact CB-CG 4Å
279	R	69.9	Low	75.7	Confident	246 Å²	246	59.2 Å²	59.2	93%	0.928	30%	0.297	S	S	*	.	S	Bend	trans	-104.9	-14.5	-179.5	-64.9	-179	174.3	176.7	-1.6	112.1	E208	E208-R279 WeakPolarHBondContact OE1-CA 3.17Å; E208-R279 WeakPolarHBondContact OE1-CB 3.33Å; E208-R279 PolarHBondContact OE1-N 2.79Å
280	G	76.4	Confident	76.5	Confident	25 Å²	25	58 Å²	58	26%	0.258	29%	0.291	S	S	.	.			trans	-99.3	-170	179.5	0	0	0	0	0	116.3	N207 E208 C277	N207-G280 WeakPolarHBondContact OD1-CA 3.35Å; E208-G280 PolarHBondContact OE1-N 3.43Å; C277-G280 WeakPolarHBondContact SG-CA 3.43Å
281	M	88.1	Confident	77.4	Confident	16 Å²	16	58 Å²	58	8%	0.079	29%	0.285	C	S	.	.			trans	-139.1	171	175.7	61.8	178.3	-77	0	0	108.8	F193 N207 V232 Y235 K236 A239 Y246 A283 V284	F193-M281 HydrophobicContact CE1-CE 4.22Å; N207-M281 WeakPolarHBondContact CB-O 3.5Å; N207-M281 VanDerWaalsContact CG-O 3.29Å; N207-M281 PolarHBondContact N-O 2.76Å; N207-M281 PolarHBondContact OD1-N 2.88Å; N207-M281 PolarHBondContact OD1-O 3.22Å; V232-M281 HydrophobicContact CG1-SD 4.01Å; Y235-M281 VanDerWaalsContact C-CE 3.45Å; K236-M281 HydrophobicContact CB-SD 4.41Å; K236-M281 HydrophobicContact CD-SD 4.48Å; K236-M281 HydrophobicContact CG-CE 4.31Å; K236-M281 HydrophobicContact CG-SD 3.41Å; K236-M281 WeakPolarHBondContact CG-SD 3.13Å; A239-M281 HydrophobicContact CB-CB 4.15Å; A239-M281 HydrophobicContact CB-CE 4.3Å; Y246-M281 WeakPolarHBondContact OH-CA 3.17Å; M281-A283 PolarHBondContact O-N 3.06Å; M281-V284 HydrophobicContact CE-CG2 4.12Å
282	P	91	Very high	78.2	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.013	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-58.9	136.8	174.1	-23	36.6	0	0	0	110.2	F193 Q204 I205 A239 Y246	F193-P282 HydrophobicContact CD1-CB 3.68Å; F193-P282 HydrophobicContact CD1-CG 4.43Å; F193-P282 HydrophobicContact CE1-CB 4.1Å; F193-P282 HydrophobicContact CE1-CG 4.44Å; Q204-P282 HydrophobicContact CB-CB 4.12Å; Q204-P282 HydrophobicContact CB-CG 4.42Å; Q204-P282 HydrophobicContact CG-CB 4.33Å; Q204-P282 HydrophobicContact CG-CG 4.43Å; I205-P282 CarbonylContact O-C 3.5Å; I205-P282 WeakPolarHBondContact O-CA 3.5Å; A239-P282 HydrophobicContact CB-CG 4.37Å; Y246-P282 HydrophobicContact CE1-CB 4.4Å; Y246-P282 HydrophobicContact CE1-CG 4.12Å; Y246-P282 WeakPolarHBondContact OH-CD 3.39Å; Y246-P282 WeakPolarHBondContact OH-CG 3.02Å
283	A	92.6	Very high	79.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.			trans	-56.8	137.3	176.2	0	0	0	0	0	110.4	F193 V194 I205 N207 W210 M281	F193-A283 WeakPolarHBondContact CA-O 3.42Å; V194-A283 PolarHBondContact N-O 3.17Å; I205-A283 HydrophobicContact CB-CB 4.23Å; I205-A283 PolarHBondContact O-N 2.94Å; N207-A283 HydrophobicContact CB-CB 4.44Å; W210-A283 HydrophobicContact CD2-CB 3.69Å; W210-A283 HydrophobicContact CE3-CB 3.87Å; W210-A283 HydrophobicContact CG-CB 4.02Å; W210-A283 HydrophobicContact CZ3-CB 4.39Å; M281-A283 PolarHBondContact O-N 3.06Å
284	V	94.1	Very high	80.6	Confident	9 Å²	9	49 Å²	49	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.2	179.6	176.7	0	0	0	0	107.1	G192 F193 F230 Y235 M281	G192-V284 WeakPolarHBondContact O-CA 3.39Å; F193-V284 HydrophobicContact CD1-CG2 3.41Å; F193-V284 VanDerWaalsContact CD1-CG2 3.41Å; F193-V284 HydrophobicContact CE1-CG2 3.52Å; F193-V284 HydrophobicContact CG-CG2 4.31Å; F193-V284 HydrophobicContact CZ-CG2 4.49Å; F230-V284 HydrophobicContact CD1-CG1 4.48Å; F230-V284 HydrophobicContact CD2-CG1 3.93Å; F230-V284 HydrophobicContact CE1-CB 4.27Å; F230-V284 HydrophobicContact CE1-CG1 4.15Å; F230-V284 WeakPolarHBondContact CE1-O 3.23Å; F230-V284 HydrophobicContact CE2-CB 3.75Å; F230-V284 HydrophobicContact CE2-CG1 3.54Å; F230-V284 HydrophobicContact CG-CG1 4.4Å; F230-V284 HydrophobicContact CZ-CB 3.57Å; F230-V284 HydrophobicContact CZ-CG1 3.68Å; Y235-V284 HydrophobicContact CD1-CB 4.37Å; Y235-V284 HydrophobicContact CD1-CG1 3.79Å; Y235-V284 HydrophobicContact CD1-CG2 3.59Å; Y235-V284 HydrophobicContact CD2-CG1 4.13Å; Y235-V284 HydrophobicContact CE1-CG1 3.76Å; Y235-V284 HydrophobicContact CE1-CG2 4.3Å; Y235-V284 HydrophobicContact CE2-CG1 4.12Å; Y235-V284 HydrophobicContact CG-CG1 4Å; Y235-V284 HydrophobicContact CG-CG2 3.84Å; M281-V284 HydrophobicContact CE-CG2 4.12Å
285	I	94.5	Very high	81.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.9	173.4	58.8	158.2	0	0	0	109.9	I177 E191 G192 V194 W210 V218	I177-I285 HydrophobicContact CD1-CD1 3.44Å; I177-I285 VanDerWaalsContact CD1-CD1 3.44Å; I177-I285 HydrophobicContact CD1-CG1 4.42Å; I177-I285 HydrophobicContact CG1-CD1 3.8Å; I177-I285 HydrophobicContact CG2-CD1 4.48Å; I177-I285 HydrophobicContact CG2-CG1 4.43Å; E191-I285 WeakPolarHBondContact CA-O 3.21Å; E191-I285 WeakPolarHBondContact CG-O 3.39Å; G192-I285 PolarHBondContact N-O 2.95Å; G192-I285 VanDerWaalsContact N-O 3.17Å; G192-I285 PolarHBondContact O-N 2.96Å; G192-I285 VanDerWaalsContact O-N 3.11Å; V194-I285 HydrophobicContact CG2-CB 4.29Å; V194-I285 HydrophobicContact CG2-CD1 4.19Å; V194-I285 HydrophobicContact CG2-CG1 3.74Å; V194-I285 HydrophobicContact CG2-CG2 3.67Å; W210-I285 HydrophobicContact CZ2-CG2 3.94Å; V218-I285 HydrophobicContact CB-CD1 4.01Å; V218-I285 HydrophobicContact CG1-CD1 3.33Å; V218-I285 HydrophobicContact CG1-CG1 4.49Å
286	S	93.8	Very high	81	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.3	170.8	-168.1	0	0	0	0	108	T190 E191 E227 K228	T190-S286 CarbonylContact O-C 3.51Å; T190-S286 WeakPolarHBondContact O-CA 3.44Å; E191-S286 WeakPolarHBondContact OE2-CB 3.39Å; E191-S286 PolarHBondContact OE2-OG 3.05Å; E227-S286 CarbonylContact C-O 3.45Å; E227-S286 WeakPolarHBondContact CA-O 3.33Å; K228-S286 WeakPolarHBondContact CE-OG 3.41Å; K228-S286 PolarHBondContact N-O 2.81Å
287	C	94.1	Very high	80.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	155.7	-173.7	-51.5	0	0	0	0	111.6	T190 C219 F224	T190-C287 PolarHBondContact O-N 3.31Å; C219-C287 WeakPolarHBondContact CA-SG 3.3Å; C219-C287 HydrophobicContact CB-CB 3.83Å; C219-C287 WeakPolarHBondContact CB-SG 3.48Å; C219-C287 VanDerWaalsContact SG-CA 3.52Å; C219-C287 WeakPolarHBondContact SG-CB 3.41Å; C219-C287 CovalentContact SG-SG 2.05Å; C219-C287 PolarHBondContact SG-SG 2.73Å; F224-C287 HydrophobicContact CB-CB 3.65Å; F224-C287 HydrophobicContact CD1-CB 4.37Å; F224-C287 HydrophobicContact CD2-CB 3.36Å; F224-C287 HydrophobicContact CE2-CB 4.04Å; F224-C287 HydrophobicContact CG-CB 3.54Å
288	I	91.7	Very high	78.8	Confident	59 Å²	59	54.3 Å²	54.3	30%	0.303	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114	175.1	-56.8	174.2	0	0	0	107.4	P225 G226 E227 K228	P225-I288 VanDerWaalsContact CD-O 3.26Å; P225-I288 WeakPolarHBondContact CD-O 3.11Å; G226-I288 PolarHBondContact O-N 2.96Å; E227-I288 VanDerWaalsContact O-CD1 3.31Å; E227-I288 WeakPolarHBondContact O-CD1 3.43Å; K228-I288 HydrophobicContact CB-CD1 4.08Å; K228-I288 HydrophobicContact CB-CG1 3.83Å; K228-I288 HydrophobicContact CD-CG1 4.2Å; K228-I288 HydrophobicContact CG-CG1 4.17Å
289	P	90	Very high	77.7	Confident	17 Å²	17	54.3 Å²	54.3	11%	0.11	30%	0.298	C	S	.	.			trans	-69.7	140.4	172.9	29.8	-32.7	0	0	0	110.6	T190 F224 A294	T190-P289 HydrophobicContact CG2-CB 4.31Å; T190-P289 HydrophobicContact CG2-CG 4.19Å; F224-P289 HydrophobicContact CD1-CB 4.28Å; F224-P289 HydrophobicContact CE1-CB 4.28Å; P289-A294 HydrophobicContact CG-CB 4.47Å
290	G	86.8	Confident	76.4	Confident	2 Å²	2	45.5 Å²	45.5	2%	0.021	28%	0.283	C	S	.	.			trans	-58.9	159	168.2	0	0	0	0	0	111.8	A292 F293 A294 G354	G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å; G290-F293 CarbonylContact O-C 3.6Å; G290-F293 PolarHBondContact O-N 3.12Å; G290-A294 PolarHBondContact O-N 3.36Å; G290-A294 VanDerWaalsContact O-N 3.08Å; G290-G354 VanDerWaalsContact CA-O 3.29Å; G290-G354 WeakPolarHBondContact CA-O 3.03Å
291	R	80	Confident	74.9	Confident	144 Å²	144	48.7 Å²	48.7	54%	0.543	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-52.5	-43.3	-174.3	-177.5	179.7	174.6	179.2	-2.1	113	F293 A294 Y305	R291-F293 PolarHBondContact O-N 3.41Å; R291-A294 PolarHBondContact O-N 2.86Å; R291-Y305 HydrophobicContact CB-CD2 4.45Å; R291-Y305 HydrophobicContact CB-CE1 4.43Å; R291-Y305 HydrophobicContact CB-CE2 4.27Å; R291-Y305 HydrophobicContact CG-CD2 4.22Å; R291-Y305 HydrophobicContact CG-CE2 4.45Å; R291-Y305 HydrophobicContact CG-CG 4.42Å
292	A	77.3	Confident	72.7	Confident	69 Å²	69	59.1 Å²	59.1	57%	0.57	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.6	179.8	0	0	0	0	0	113.8	G290	G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å
293	F	83.1	Confident	70.2	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-111.2	6.5	-176.1	-52.2	-71.1	0	0	0	113	P188 G290 R291 I320 F355 V412 P413 M415 L502	P188-F293 WeakPolarHBondContact CD-O 3.09Å; G290-F293 CarbonylContact O-C 3.6Å; G290-F293 PolarHBondContact O-N 3.12Å; R291-F293 PolarHBondContact O-N 3.41Å; F293-I320 HydrophobicContact CZ-CG2 3.93Å; F293-F355 AromaticContact CE2-CD1 3.68Å; F293-F355 HydrophobicContact CE2-CD1 3.68Å; F293-F355 AromaticContact CE2-CE1 3.61Å; F293-F355 HydrophobicContact CE2-CE1 3.61Å; F293-F355 HydrophobicContact CZ-CD1 4.14Å; F293-F355 AromaticContact CZ-CE1 3.79Å; F293-F355 HydrophobicContact CZ-CE1 3.79Å; F293-V412 HydrophobicContact CE1-CG1 3.88Å; F293-V412 HydrophobicContact CE2-CG1 4.38Å; F293-V412 HydrophobicContact CZ-CG1 3.62Å; F293-P413 HydrophobicContact CB-CG 4.22Å; F293-P413 HydrophobicContact CD2-CG 4.11Å; F293-P413 HydrophobicContact CG-CG 4.01Å; F293-M415 HydrophobicContact CB-SD 4.18Å; F293-M415 HydrophobicContact CD1-CE 4.38Å; F293-M415 HydrophobicContact CD1-CG 3.85Å; F293-M415 HydrophobicContact CD1-SD 3.93Å; F293-M415 HydrophobicContact CE1-CG 4.35Å; F293-M415 HydrophobicContact CG-SD 4.48Å; F293-L502 HydrophobicContact CE1-CD1 4.34Å
294	A	74.9	Confident	67.9	Low	31 Å²	31	72.1 Å²	72.1	26%	0.256	40%	0.398	S	S	.	.	S	Bend	trans	-71.6	131.8	179.6	0	0	0	0	0	110.8	P289 G290 R291 S296	P289-A294 HydrophobicContact CG-CB 4.47Å; G290-A294 PolarHBondContact O-N 3.36Å; G290-A294 VanDerWaalsContact O-N 3.08Å; R291-A294 PolarHBondContact O-N 2.86Å; A294-S296 PolarHBondContact O-N 3Å
295	P	64.9	Low	65.7	Low	39 Å²	39	75.6 Å²	75.6	25%	0.253	41%	0.411	S	S	.	.			trans	-59.7	131.5	178.2	-23.5	32.3	0	0	0	112.1	V297 S298	P295-V297 PolarHBondContact O-N 2.87Å; P295-S298 WeakPolarHBondContact O-CB 3.48Å; P295-S298 PolarHBondContact O-N 3.49Å; P295-S298 PolarHBondContact O-OG 3.34Å
296	S	54.9	Low	63.6	Low	122 Å²	122	85 Å²	85	85%	0.853	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.3	-174.9	59.1	0	0	0	0	115.5	A294 S298	A294-S296 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact O-N 2.92Å
297	V	46.3	Very low	61.5	Low	130 Å²	130	93.2 Å²	93.2	79%	0.788	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-2	178.6	-146.7	0	0	0	0	113.2	P295 M299	P295-V297 PolarHBondContact O-N 2.87Å; V297-M299 PolarHBondContact O-N 3.42Å
298	S	44.8	Very low	60.1	Low	45 Å²	45	99.8 Å²	99.8	32%	0.315	52%	0.517	S	S	.	.			trans	-95.7	67.3	-175.2	-39.5	0	0	0	0	110.8	P295 S296 G300 F301	P295-S298 WeakPolarHBondContact O-CB 3.48Å; P295-S298 PolarHBondContact O-N 3.49Å; P295-S298 PolarHBondContact O-OG 3.34Å; S296-S298 PolarHBondContact O-N 2.92Å; S298-G300 PolarHBondContact O-N 3.14Å; S298-F301 PolarHBondContact O-N 2.78Å; S298-F301 VanDerWaalsContact O-N 3.1Å
299	M	42.1	Very low	59	Low	176 Å²	176	100.2 Å²	100.2	87%	0.867	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-11.8	176.5	-68.9	-179.6	68.2	0	0	114.4	V297	V297-M299 PolarHBondContact O-N 3.42Å
300	G	42.2	Very low	58.5	Low	60 Å²	60	103.2 Å²	103.2	62%	0.619	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.8	176.7	0	0	0	0	0	116.5	S298	S298-G300 PolarHBondContact O-N 3.14Å
301	F	45.1	Very low	58.6	Low	93 Å²	93	106.6 Å²	106.6	41%	0.408	55%	0.554	S	S	.	*	S	Bend	trans	-91.7	-13.6	-176.5	-73.5	-83.8	0	0	0	114.6	S298 K303 A304 Y305	S298-F301 PolarHBondContact O-N 2.78Å; S298-F301 VanDerWaalsContact O-N 3.1Å; F301-K303 PolarHBondContact O-N 3.3Å; F301-A304 HydrophobicContact CD1-CB 4.41Å; F301-A304 PolarHBondContact O-N 2.83Å; F301-Y305 HydrophobicContact CB-CD2 4.48Å; F301-Y305 HydrophobicContact CB-CE2 4.3Å; F301-Y305 AromaticContact CD1-CE2 3.89Å; F301-Y305 HydrophobicContact CD1-CE2 3.89Å; F301-Y305 WeakPolarHBondContact O-CD2 3.11Å
302	R	42.5	Very low	59.3	Low	235 Å²	235	99.8 Å²	99.8	89%	0.887	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.7	175.2	-76.2	-172.5	-177.4	-174.2	0.2	113.3
303	K	39.5	Very low	60.1	Low	205 Å²	205	98.5 Å²	98.5	89%	0.891	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.1	177.1	-74.4	-173.7	176	-176.3	0	114.3	F301	F301-K303 PolarHBondContact O-N 3.3Å
304	A	43.3	Very low	60.7	Low	69 Å²	69	99.8 Å²	99.8	57%	0.57	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-21.3	-176.2	0	0	0	0	0	113.3	F301	F301-A304 HydrophobicContact CD1-CB 4.41Å; F301-A304 PolarHBondContact O-N 2.83Å
305	Y	48.8	Very low	61.6	Low	82 Å²	82	101.5 Å²	101.5	32%	0.322	52%	0.516	S	S	.	.	S	Bend	trans	-106.8	104	177.1	-66.1	-80.6	0	0	0	108.7	R291 F301	R291-Y305 HydrophobicContact CB-CD2 4.45Å; R291-Y305 HydrophobicContact CB-CE1 4.43Å; R291-Y305 HydrophobicContact CB-CE2 4.27Å; R291-Y305 HydrophobicContact CG-CD2 4.22Å; R291-Y305 HydrophobicContact CG-CE2 4.45Å; R291-Y305 HydrophobicContact CG-CG 4.42Å; F301-Y305 HydrophobicContact CB-CD2 4.48Å; F301-Y305 HydrophobicContact CB-CE2 4.3Å; F301-Y305 AromaticContact CD1-CE2 3.89Å; F301-Y305 HydrophobicContact CD1-CE2 3.89Å; F301-Y305 WeakPolarHBondContact O-CD2 3.11Å
306	R	48.8	Very low	62.7	Low	200 Å²	200	99.8 Å²	99.8	76%	0.755	51%	0.506	S	S	*	.			trans	-62.6	142.5	166.5	-74.7	-178	174	173.4	-2.5	108.6	E308	R306-E308 HydrophobicContact CB-CG 4.07Å; R306-E308 VanDerWaalsContact CD-OE1 3.31Å; R306-E308 WeakPolarHBondContact CD-OE1 2.86Å; R306-E308 IonicContact NH1-OE1 3.02Å; R306-E308 PolarHBondContact O-N 3.44Å
307	M	51.3	Low	64.3	Low	175 Å²	175	95 Å²	95	86%	0.862	48%	0.476	S	S	*	.			trans	-75.4	75.7	165	-70.1	-174.6	-165.2	0	0	107.2
308	E	64.8	Low	66.3	Low	138 Å²	138	89.3 Å²	89.3	65%	0.645	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-90.1	146	164.6	-74.8	171.1	-164.3	0	0	107.5	R306	R306-E308 HydrophobicContact CB-CG 4.07Å; R306-E308 VanDerWaalsContact CD-OE1 3.31Å; R306-E308 WeakPolarHBondContact CD-OE1 2.86Å; R306-E308 IonicContact NH1-OE1 3.02Å; R306-E308 PolarHBondContact O-N 3.44Å
309	Q	67.5	Low	68.3	Low	67 Å²	67	90.1 Å²	90.1	31%	0.313	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-61.5	130.7	-179	-171.2	178.1	11.4	0	0	109.9	L311 L328	Q309-L311 PolarHBondContact O-N 3.37Å; Q309-L328 HydrophobicContact CG-CD2 3.94Å
310	P	79.1	Confident	70.5	Confident	80 Å²	80	83.7 Å²	83.7	52%	0.519	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-65.3	132.8	176.4	27.4	-33.4	0	0	0	109.7	W333	P310-W333 VanDerWaalsContact O-CH2 3.23Å; P310-W333 WeakPolarHBondContact O-CH2 3.44Å; P310-W333 WeakPolarHBondContact O-CZ2 3.25Å
311	L	90.3	Very high	72.8	Confident	73 Å²	73	81.1 Å²	81.1	38%	0.382	38%	0.384	S	S	.	.	S	Bend	trans	-86.7	-15.6	176.3	-61.3	178.7	0	0	0	112.5	Q309 V327 L328 T389	Q309-L311 PolarHBondContact O-N 3.37Å; L311-V327 CarbonylContact O-C 3.59Å; L311-V327 VanDerWaalsContact O-CA 3.31Å; L311-V327 WeakPolarHBondContact O-CA 3.49Å; L311-L328 PolarHBondContact O-N 3.01Å; L311-T389 HydrophobicContact CB-CG2 4.41Å
312	V	94.6	Very high	75.1	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.6	-179.8	-175.2	0	0	0	0	109.2	V325 E326 V327 V349 E352 L353 L388	V312-V325 HydrophobicContact CG1-CG1 3.94Å; V312-E326 CarbonylContact C-O 3.6Å; V312-E326 WeakPolarHBondContact CA-O 3.01Å; V312-V327 HydrophobicContact CG2-CG1 4.13Å; V312-V349 HydrophobicContact CG1-CG1 4Å; V312-E352 WeakPolarHBondContact CG2-OE1 3.21Å; V312-E352 VanDerWaalsContact CG2-OE2 3.28Å; V312-E352 WeakPolarHBondContact CG2-OE2 3.2Å; V312-L353 WeakPolarHBondContact O-CD2 3.08Å; V312-L388 HydrophobicContact CG2-CB 4.01Å
313	R	93.7	Very high	77.6	Confident	42 Å²	42	66.9 Å²	66.9	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.3	173.5	73.8	-174.8	-175.1	-171.1	1.5	111.4	E326 W333 G735	R313-E326 HydrophobicContact CG-CB 3.85Å; R313-E326 IonicContact CZ-OE2 2.85Å; R313-E326 PolarHBondContact N-O 3.27Å; R313-E326 IonicContact NE-OE2 3.28Å; R313-E326 PolarHBondContact NE-OE2 3.25Å; R313-E326 IonicContact NH2-OE2 2.75Å; R313-E326 PolarHBondContact NH2-OE2 3.37Å; R313-E326 PolarHBondContact O-N 3.46Å; R313-W333 HydrophobicContact CB-CH2 3.86Å; R313-W333 HydrophobicContact CB-CZ3 3.9Å; R313-W333 HydrophobicContact CG-CD2 4.35Å; R313-W333 HydrophobicContact CG-CE3 3.77Å; R313-W333 HydrophobicContact CG-CH2 3.81Å; R313-W333 HydrophobicContact CG-CZ2 4.37Å; R313-W333 HydrophobicContact CG-CZ3 3.49Å; R313-W333 VanDerWaalsContact CG-CZ3 3.49Å; R313-W333 VanDerWaalsContact CZ-CG 3.44Å; R313-W333 VanDerWaalsContact NH1-CD1 3.29Å; R313-G735 PolarHBondContact NH1-O 3.17Å; R313-G735 PolarHBondContact NH2-O 3.41Å; R313-G735 VanDerWaalsContact NH2-O 3.08Å
314	L	94.8	Very high	80.4	Confident	31 Å²	31	57.4 Å²	57.4	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.4	173.3	-56.9	179.6	0	0	0	110.6	R324 V325 V349 L353 V408	L314-R324 VanDerWaalsContact CA-O 3.28Å; L314-R324 WeakPolarHBondContact CA-O 3.05Å; L314-V325 HydrophobicContact CD2-CG2 4.04Å; L314-V349 HydrophobicContact CD2-CG1 4.06Å; L314-L353 HydrophobicContact CD1-CD1 3.7Å; L314-L353 HydrophobicContact CD2-CD1 4.03Å; L314-L353 HydrophobicContact CG-CD1 3.53Å; L314-V408 HydrophobicContact CD1-CG2 3.86Å; L314-V408 HydrophobicContact CD2-CG2 3.54Å; L314-V408 HydrophobicContact CG-CG2 4.38Å
315	R	93.6	Very high	82.9	Confident	67 Å²	67	54.1 Å²	54.1	25%	0.253	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.7	176	-67.4	-54	-167.3	-141.9	6.8	112.3	G317 G323 R324 E326 D709	R315-G317 PolarHBondContact O-N 3.48Å; R315-G317 VanDerWaalsContact O-N 3.09Å; R315-G323 CarbonylContact O-C 3.54Å; R315-G323 WeakPolarHBondContact O-CA 3.44Å; R315-R324 PolarHBondContact N-O 3.34Å; R315-R324 PolarHBondContact O-N 2.82Å; R315-E326 WeakPolarHBondContact CG-OE2 3.49Å; R315-D709 VanDerWaalsContact CD-OD2 3.25Å; R315-D709 WeakPolarHBondContact CD-OD2 3.25Å; R315-D709 IonicContact NE-OD2 2.74Å
316	G	88.4	Confident	85.2	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	25%	0.248	C	C	.	.	S	Bend	trans	67.4	7	175	0	0	0	0	0	116.5	F470	G316-F470 WeakPolarHBondContact O-CZ 3.26Å
317	G	89.4	Confident	87.4	Confident	22 Å²	22	41.4 Å²	41.4	23%	0.227	21%	0.213	C	C	.	.			trans	-89.5	138.7	178.6	0	0	0	0	0	113.4	R315 E322	R315-G317 PolarHBondContact O-N 3.48Å; R315-G317 VanDerWaalsContact O-N 3.09Å; G317-E322 WeakPolarHBondContact CA-O 3.39Å
318	A	87.6	Confident	89.4	Confident	10 Å²	10	33.9 Å²	33.9	8%	0.083	18%	0.176	C	C	.	.	S	Bend	trans	-74.9	-36.2	180	0	0	0	0	0	112.4	E322 R464 F470	A318-E322 WeakPolarHBondContact CB-OE1 3.36Å; A318-E322 PolarHBondContact N-OE1 3.1Å; A318-R464 WeakPolarHBondContact O-CD 3.26Å; A318-R464 WeakPolarHBondContact O-CG 3.41Å; A318-F470 VanDerWaalsContact CA-CZ 3.48Å; A318-F470 HydrophobicContact CB-CD1 4.04Å; A318-F470 HydrophobicContact CB-CD2 3.69Å; A318-F470 HydrophobicContact CB-CE1 3.8Å; A318-F470 HydrophobicContact CB-CE2 3.46Å; A318-F470 VanDerWaalsContact CB-CE2 3.46Å; A318-F470 HydrophobicContact CB-CG 3.98Å; A318-F470 HydrophobicContact CB-CZ 3.51Å; A318-F470 VanDerWaalsContact N-CZ 3.33Å
319	M	87.9	Confident	90.4	Very high	61 Å²	61	30.1 Å²	30.1	30%	0.3	16%	0.157	S	C	.	.	S	Bend	trans	-106.4	158.9	-177	-59.4	-60.3	-58.9	0	0	111.8	G321 E322 R464	M319-G321 PolarHBondContact O-N 3.44Å; M319-E322 HydrophobicContact CB-CG 3.8Å; M319-E322 VanDerWaalsContact CB-OE1 3.26Å; M319-E322 WeakPolarHBondContact CB-OE1 3.41Å; M319-E322 WeakPolarHBondContact CG-OE1 3.26Å; M319-E322 PolarHBondContact N-OE1 3.11Å; M319-E322 VanDerWaalsContact O-CG 3.22Å; M319-E322 WeakPolarHBondContact O-CG 3.38Å; M319-E322 PolarHBondContact O-N 3.26Å; M319-R464 WeakPolarHBondContact CE-O 3.48Å; M319-R464 HydrophobicContact SD-CG 4.36Å
320	I	87.8	Confident	91.2	Very high	42 Å²	42	34.7 Å²	34.7	22%	0.215	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	134.5	171.6	-64.9	142.8	0	0	0	108.9	F293 E322 F355 V412 R464 L502	F293-I320 HydrophobicContact CZ-CG2 3.93Å; I320-E322 VanDerWaalsContact C-N 3.33Å; I320-F355 HydrophobicContact CG2-CE1 3.51Å; I320-F355 HydrophobicContact CG2-CZ 3.87Å; I320-V412 VanDerWaalsContact O-CG2 3.32Å; I320-V412 WeakPolarHBondContact O-CG2 3.38Å; I320-R464 HydrophobicContact CD1-CG 4.46Å; I320-R464 HydrophobicContact CG1-CG 4.49Å; I320-L502 HydrophobicContact CD1-CB 4.34Å; I320-L502 HydrophobicContact CD1-CD2 3.36Å; I320-L502 HydrophobicContact CD1-CG 4.41Å; I320-L502 HydrophobicContact CG1-CD2 3.79Å
321	G	91	Very high	91.5	Very high	6 Å²	6	31.7 Å²	31.7	6%	0.062	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	17.6	179	0	0	0	0	0	113.9	M319 C410	M319-G321 PolarHBondContact O-N 3.44Å; G321-C410 WeakPolarHBondContact O-CB 3.37Å; G321-C410 PolarHBondContact O-N 3.23Å; G321-C410 PolarHBondContact O-SG 3.43Å
322	E	92.9	Very high	91.5	Very high	29 Å²	29	31.4 Å²	31.4	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156	164.4	62.9	176.4	-171.9	0	0	111.3	G317 A318 M319 I320 M367 V408 R409	G317-E322 WeakPolarHBondContact CA-O 3.39Å; A318-E322 WeakPolarHBondContact CB-OE1 3.36Å; A318-E322 PolarHBondContact N-OE1 3.1Å; M319-E322 HydrophobicContact CB-CG 3.8Å; M319-E322 VanDerWaalsContact CB-OE1 3.26Å; M319-E322 WeakPolarHBondContact CB-OE1 3.41Å; M319-E322 WeakPolarHBondContact CG-OE1 3.26Å; M319-E322 PolarHBondContact N-OE1 3.11Å; M319-E322 VanDerWaalsContact O-CG 3.22Å; M319-E322 WeakPolarHBondContact O-CG 3.38Å; M319-E322 PolarHBondContact O-N 3.26Å; I320-E322 VanDerWaalsContact C-N 3.33Å; E322-M367 HydrophobicContact CB-CE 4.17Å; E322-M367 HydrophobicContact CG-CE 4.38Å; E322-M367 WeakPolarHBondContact OE2-CE 3.45Å; E322-V408 VanDerWaalsContact CA-O 3.22Å; E322-V408 WeakPolarHBondContact CA-O 3.22Å; E322-R409 HydrophobicContact CB-CB 4.44Å; E322-R409 HydrophobicContact CB-CG 3.71Å; E322-R409 IonicContact OE2-NE 3.13Å; E322-R409 PolarHBondContact OE2-NE 3.08Å; E322-R409 VanDerWaalsContact OE2-NE 3.1Å
323	G	95.2	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.9	170.9	176.6	0	0	0	0	0	112.9	R315 A407 V408	R315-G323 CarbonylContact O-C 3.54Å; R315-G323 WeakPolarHBondContact O-CA 3.44Å; G323-A407 WeakPolarHBondContact O-CA 3.41Å; G323-A407 VanDerWaalsContact O-CB 3.32Å; G323-A407 WeakPolarHBondContact O-CB 3.45Å; G323-V408 PolarHBondContact N-O 3.01Å; G323-V408 VanDerWaalsContact N-O 3.14Å; G323-V408 PolarHBondContact O-N 3.14Å
324	R	96.6	Very high	91.4	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	137.1	167.2	-179.7	179.2	60.5	-108.5	5	109.9	L314 R315 E326 G368 Q369 D405	L314-R324 VanDerWaalsContact CA-O 3.28Å; L314-R324 WeakPolarHBondContact CA-O 3.05Å; R315-R324 PolarHBondContact N-O 3.34Å; R315-R324 PolarHBondContact O-N 2.82Å; R324-E326 IonicContact CZ-OE1 2.64Å; R324-E326 IonicContact NE-OE1 3.46Å; R324-E326 PolarHBondContact NE-OE1 3.31Å; R324-E326 VanDerWaalsContact NE-OE1 3.15Å; R324-E326 IonicContact NH2-OE1 3.97Å; R324-E326 PolarHBondContact NH2-OE1 3.5Å; R324-G368 WeakPolarHBondContact CD-O 3.49Å; R324-G368 PolarHBondContact NH1-O 2.03Å; R324-Q369 VanDerWaalsContact NH1-C 3.27Å; R324-Q369 PolarHBondContact NH1-O 3.19Å; R324-D405 HydrophobicContact CG-CB 4.05Å
325	V	97.6	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.1	179.1	-175.7	0	0	0	0	109.2	V312 L314 V327 V336 W341 V349 L388 A406 V408	V312-V325 HydrophobicContact CG1-CG1 3.94Å; L314-V325 HydrophobicContact CD2-CG2 4.04Å; V325-V327 HydrophobicContact CG1-CG1 4.42Å; V325-V336 HydrophobicContact CB-CG2 4.31Å; V325-V336 HydrophobicContact CG1-CG2 3.92Å; V325-W341 HydrophobicContact CG2-CH2 4.38Å; V325-W341 HydrophobicContact CG2-CZ2 4.02Å; V325-V349 HydrophobicContact CG1-CG1 4.38Å; V325-V349 HydrophobicContact CG1-CG2 4.11Å; V325-V349 HydrophobicContact CG2-CG1 4.25Å; V325-V349 HydrophobicContact CG2-CG2 4.45Å; V325-L388 HydrophobicContact CG1-CD2 3.89Å; V325-A406 PolarHBondContact N-O 2.99Å; V325-V408 HydrophobicContact CG2-CG1 3.74Å; V325-V408 HydrophobicContact CG2-CG2 4.25Å
326	E	96.5	Very high	91.6	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.6	171.5	-71.1	175.4	-168.6	0	0	109.4	V312 R313 R315 R324 W333 G334 T335	V312-E326 CarbonylContact C-O 3.6Å; V312-E326 WeakPolarHBondContact CA-O 3.01Å; R313-E326 HydrophobicContact CG-CB 3.85Å; R313-E326 IonicContact CZ-OE2 2.85Å; R313-E326 PolarHBondContact N-O 3.27Å; R313-E326 IonicContact NE-OE2 3.28Å; R313-E326 PolarHBondContact NE-OE2 3.25Å; R313-E326 IonicContact NH2-OE2 2.75Å; R313-E326 PolarHBondContact NH2-OE2 3.37Å; R313-E326 PolarHBondContact O-N 3.46Å; R315-E326 WeakPolarHBondContact CG-OE2 3.49Å; R324-E326 IonicContact CZ-OE1 2.64Å; R324-E326 IonicContact NE-OE1 3.46Å; R324-E326 PolarHBondContact NE-OE1 3.31Å; R324-E326 VanDerWaalsContact NE-OE1 3.15Å; R324-E326 IonicContact NH2-OE1 3.97Å; R324-E326 PolarHBondContact NH2-OE1 3.5Å; E326-W333 HydrophobicContact CB-CE3 4.03Å; E326-W333 WeakPolarHBondContact O-CZ3 3.38Å; E326-G334 CarbonylContact C-O 3.59Å; E326-G334 VanDerWaalsContact CA-O 3.27Å; E326-G334 WeakPolarHBondContact CA-O 3.41Å; E326-T335 HydrophobicContact CG-CG2 4.16Å
327	V	95.2	Very high	91.9	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143	-179.1	-59.7	0	0	0	0	110.5	L311 V312 V325 W333 G334 V336 H375 M376 L388	L311-V327 CarbonylContact O-C 3.59Å; L311-V327 VanDerWaalsContact O-CA 3.31Å; L311-V327 WeakPolarHBondContact O-CA 3.49Å; V312-V327 HydrophobicContact CG2-CG1 4.13Å; V325-V327 HydrophobicContact CG1-CG1 4.42Å; V327-W333 VanDerWaalsContact C-CE3 3.43Å; V327-W333 WeakPolarHBondContact O-CA 3.29Å; V327-G334 PolarHBondContact N-O 2.98Å; V327-G334 PolarHBondContact O-N 3.36Å; V327-V336 HydrophobicContact CG1-CG2 3.79Å; V327-V336 HydrophobicContact CG2-CG2 4.33Å; V327-H375 HydrophobicContact CG2-CB 3.69Å; V327-H375 PolarHBondContact O-CD2 2.91Å; V327-M376 HydrophobicContact CB-SD 4.27Å; V327-M376 HydrophobicContact CG1-SD 3.81Å; V327-M376 HydrophobicContact CG2-CG 4.04Å; V327-M376 HydrophobicContact CG2-SD 3.86Å; V327-L388 HydrophobicContact CG1-CD2 3.83Å
328	L	91.8	Very high	92	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.084	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.8	177.5	-178.2	69.7	0	0	0	109.4	Q309 L311 W333	Q309-L328 HydrophobicContact CG-CD2 3.94Å; L311-L328 PolarHBondContact O-N 3.01Å; L328-W333 HydrophobicContact CB-CD2 4.03Å; L328-W333 HydrophobicContact CB-CE3 3.95Å; L328-W333 HydrophobicContact CB-CH2 3.93Å; L328-W333 HydrophobicContact CB-CZ2 4.02Å; L328-W333 HydrophobicContact CB-CZ3 3.88Å; L328-W333 HydrophobicContact CD1-CD2 4.11Å; L328-W333 HydrophobicContact CD1-CG 4.12Å; L328-W333 HydrophobicContact CD2-CZ2 4.46Å
329	K	87.3	Confident	91.9	Very high	60 Å²	60	28 Å²	28	26%	0.261	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.6	178.1	-169.3	178.1	-179.9	-175.2	0	109.3	G331 E332 H375	K329-G331 PolarHBondContact O-N 2.82Å; K329-G331 VanDerWaalsContact O-N 3.09Å; K329-E332 PolarHBondContact N-O 2.75Å; K329-E332 PolarHBondContact O-N 2.52Å; K329-H375 HydrophobicContact CD-CB 4.24Å; K329-H375 PolarHBondContact NZ-O 3.21Å
330	N	84.6	Confident	91.9	Very high	162 Å²	162	30 Å²	30	87%	0.866	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.1	-178.4	-56.4	-26.5	0	0	0	114.4	E332	N330-E332 VanDerWaalsContact C-N 3.32Å
331	G	85.3	Confident	92.2	Very high	18 Å²	18	28.8 Å²	28.8	19%	0.186	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	2.7	-179	0	0	0	0	0	115	K329 F737 S738	K329-G331 PolarHBondContact O-N 2.82Å; K329-G331 VanDerWaalsContact O-N 3.09Å; G331-F737 CarbonylContact O-C 3.59Å; G331-F737 WeakPolarHBondContact O-CA 3.21Å; G331-F737 WeakPolarHBondContact O-CD1 3.24Å; G331-S738 PolarHBondContact O-N 3.18Å; G331-S738 PolarHBondContact O-OG 3.32Å
332	E	89.7	Confident	92.1	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.313	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.6	178.9	-170.8	178.7	-179.6	0	0	111	K329 N330 H375 T736 F737	K329-E332 PolarHBondContact N-O 2.75Å; K329-E332 PolarHBondContact O-N 2.52Å; N330-E332 VanDerWaalsContact C-N 3.32Å; E332-H375 PolarHBondContact O-NE2 3.22Å; E332-T736 CarbonylContact C-O 3.55Å; E332-T736 HydrophobicContact CG-CG2 4.05Å; E332-F737 HydrophobicContact CB-CD1 3.98Å; E332-F737 HydrophobicContact CB-CE1 3.93Å; E332-F737 HydrophobicContact CG-CD1 4.12Å; E332-F737 HydrophobicContact CG-CE1 3.82Å
333	W	92.9	Very high	92	Very high	17 Å²	17	32.8 Å²	32.8	6%	0.064	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.5	172.1	-71.7	99.9	0	0	0	109.9	P310 R313 E326 V327 L328 G735 T736	P310-W333 VanDerWaalsContact O-CH2 3.23Å; P310-W333 WeakPolarHBondContact O-CH2 3.44Å; P310-W333 WeakPolarHBondContact O-CZ2 3.25Å; R313-W333 HydrophobicContact CB-CH2 3.86Å; R313-W333 HydrophobicContact CB-CZ3 3.9Å; R313-W333 HydrophobicContact CG-CD2 4.35Å; R313-W333 HydrophobicContact CG-CE3 3.77Å; R313-W333 HydrophobicContact CG-CH2 3.81Å; R313-W333 HydrophobicContact CG-CZ2 4.37Å; R313-W333 HydrophobicContact CG-CZ3 3.49Å; R313-W333 VanDerWaalsContact CG-CZ3 3.49Å; R313-W333 VanDerWaalsContact CZ-CG 3.44Å; R313-W333 VanDerWaalsContact NH1-CD1 3.29Å; E326-W333 HydrophobicContact CB-CE3 4.03Å; E326-W333 WeakPolarHBondContact O-CZ3 3.38Å; V327-W333 VanDerWaalsContact C-CE3 3.43Å; V327-W333 WeakPolarHBondContact O-CA 3.29Å; L328-W333 HydrophobicContact CB-CD2 4.03Å; L328-W333 HydrophobicContact CB-CE3 3.95Å; L328-W333 HydrophobicContact CB-CH2 3.93Å; L328-W333 HydrophobicContact CB-CZ2 4.02Å; L328-W333 HydrophobicContact CB-CZ3 3.88Å; L328-W333 HydrophobicContact CD1-CD2 4.11Å; L328-W333 HydrophobicContact CD1-CG 4.12Å; L328-W333 HydrophobicContact CD2-CZ2 4.46Å; W333-G735 VanDerWaalsContact CD1-O 3.24Å; W333-T736 WeakPolarHBondContact CB-O 3.45Å; W333-T736 PolarHBondContact N-O 3.08Å
334	G	93.6	Very high	92	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	168.5	174.6	0	0	0	0	0	110.7	E326 V327 A373 H375	E326-G334 CarbonylContact C-O 3.59Å; E326-G334 VanDerWaalsContact CA-O 3.27Å; E326-G334 WeakPolarHBondContact CA-O 3.41Å; V327-G334 PolarHBondContact N-O 2.98Å; V327-G334 PolarHBondContact O-N 3.36Å; G334-A373 CarbonylContact C-O 3.5Å; G334-A373 WeakPolarHBondContact CA-O 3.22Å; G334-H375 WeakPolarHBondContact CA-CD2 3.08Å; G334-H375 PolarHBondContact N-CD2 3.29Å; G334-H375 PolarHBondContact N-NE2 2.05Å
335	T	95.3	Very high	92	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	175.4	-173.8	62.2	0	0	0	0	112.3	E326 A373 H375 D405	E326-T335 HydrophobicContact CG-CG2 4.16Å; T335-A373 PolarHBondContact N-O 3.25Å; T335-H375 PolarHBondContact O-N 3.18Å; T335-D405 WeakPolarHBondContact CB-OD1 3.43Å; T335-D405 WeakPolarHBondContact CG2-OD2 3.18Å; T335-D405 PolarHBondContact OG1-OD1 2.73Å
336	V	96.7	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.8	176.4	-178.3	0	0	0	0	107.4	V325 V327 W341 M376 V379 L388 A406	V325-V336 HydrophobicContact CB-CG2 4.31Å; V325-V336 HydrophobicContact CG1-CG2 3.92Å; V327-V336 HydrophobicContact CG1-CG2 3.79Å; V327-V336 HydrophobicContact CG2-CG2 4.33Å; V336-W341 HydrophobicContact CG1-CE3 4.29Å; V336-W341 HydrophobicContact CG1-CZ3 4.09Å; V336-M376 HydrophobicContact CG1-CB 4.09Å; V336-M376 HydrophobicContact CG2-CB 4.28Å; V336-M376 HydrophobicContact CG2-SD 4.28Å; V336-V379 HydrophobicContact CG1-CG2 3.66Å; V336-L388 HydrophobicContact CG2-CD2 4.18Å; V336-A406 HydrophobicContact CB-CB 4.25Å; V336-A406 HydrophobicContact CG1-CB 4.27Å; V336-A406 VanDerWaalsContact O-CB 3.29Å; V336-A406 WeakPolarHBondContact O-CB 3.39Å; V336-A406 PolarHBondContact O-N 2.94Å
337	C	94.4	Very high	91.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-72.8	148.6	175.3	-169	0	0	0	0	111.2	V374 M376 N377 C400 E404	C337-V374 HydrophobicContact CB-CG1 3.9Å; C337-M376 PolarHBondContact N-O 2.81Å; C337-N377 HydrophobicContact CB-CB 4.21Å; C337-N377 WeakPolarHBondContact CB-OD1 3.3Å; C337-N377 PolarHBondContact SG-OD1 2.79Å; C337-C400 HydrophobicContact CB-CB 3.76Å; C337-C400 WeakPolarHBondContact CB-SG 3.27Å; C337-C400 WeakPolarHBondContact SG-CB 3.36Å; C337-C400 CovalentContact SG-SG 2.04Å; C337-C400 PolarHBondContact SG-SG 3.2Å; C337-E404 CarbonylContact C-O 3.6Å; C337-E404 WeakPolarHBondContact CA-O 3.42Å
338	D	91.8	Very high	92	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.128	19%	0.188	C	C	.	.			trans	-87.8	-1.5	-172.2	75.6	38.6	0	0	0	115.6	N340 W341 T363 G364 E404 A406	D338-N340 PolarHBondContact O-N 3.36Å; D338-W341 HydrophobicContact CB-CB 4.19Å; D338-W341 WeakPolarHBondContact O-CB 3.48Å; D338-W341 PolarHBondContact O-N 2.85Å; D338-T363 HydrophobicContact CB-CG2 3.79Å; D338-T363 WeakPolarHBondContact OD2-CA 3.33Å; D338-T363 VanDerWaalsContact OD2-CB 3.29Å; D338-T363 WeakPolarHBondContact OD2-CB 3.37Å; D338-G364 WeakPolarHBondContact OD2-CA 3.41Å; D338-G364 PolarHBondContact OD2-N 2.92Å; D338-E404 WeakPolarHBondContact CB-O 3.32Å; D338-E404 VanDerWaalsContact CG-O 3.26Å; D338-E404 PolarHBondContact N-O 2.87Å; D338-E404 WeakPolarHBondContact OD2-CA 3.13Å; D338-A406 HydrophobicContact CB-CB 4.09Å
339	D	85.9	Confident	92.3	Very high	62 Å²	62	36.5 Å²	36.5	33%	0.332	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	126.9	172	-73.1	-28.5	0	0	0	110	W341 N377 E378	D339-W341 PolarHBondContact O-N 3.1Å; D339-N377 WeakPolarHBondContact CB-OD1 3.42Å; D339-N377 PolarHBondContact OD2-OD1 3.49Å; D339-E378 HydrophobicContact CB-CG 3.95Å; D339-E378 VanDerWaalsContact O-CA 3.26Å; D339-E378 WeakPolarHBondContact O-CA 3.45Å
340	N	88.1	Confident	92.8	Very high	101 Å²	101	33.7 Å²	33.7	54%	0.54	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	18.4	-174.1	-65.7	-41.6	0	0	0	115.2	D338 D342	D338-N340 PolarHBondContact O-N 3.36Å; N340-D342 PolarHBondContact O-N 3.38Å
341	W	94.1	Very high	93.3	Very high	18 Å²	18	28.1 Å²	28.1	7%	0.068	14%	0.138	C	C	.	.			trans	-67.8	116.8	176.9	-174.8	-118.1	0	0	0	111.5	V325 V336 D338 D339 A345 A346 V349 L362 T363 V379 L388 A406 A407 V408	V325-W341 HydrophobicContact CG2-CH2 4.38Å; V325-W341 HydrophobicContact CG2-CZ2 4.02Å; V336-W341 HydrophobicContact CG1-CE3 4.29Å; V336-W341 HydrophobicContact CG1-CZ3 4.09Å; D338-W341 HydrophobicContact CB-CB 4.19Å; D338-W341 WeakPolarHBondContact O-CB 3.48Å; D338-W341 PolarHBondContact O-N 2.85Å; D339-W341 PolarHBondContact O-N 3.1Å; W341-A345 HydrophobicContact CE3-CB 3.81Å; W341-A345 HydrophobicContact CH2-CB 3.94Å; W341-A345 HydrophobicContact CZ3-CB 3.5Å; W341-A346 HydrophobicContact CZ2-CB 4.08Å; W341-V349 HydrophobicContact CH2-CG2 3.92Å; W341-V349 HydrophobicContact CZ2-CG2 4.47Å; W341-L362 VanDerWaalsContact CD1-O 3.31Å; W341-T363 HydrophobicContact CB-CG2 4.41Å; W341-V379 HydrophobicContact CE3-CB 4.24Å; W341-V379 HydrophobicContact CZ3-CB 4.16Å; W341-V379 HydrophobicContact CZ3-CG1 4.28Å; W341-V379 HydrophobicContact CZ3-CG2 4.43Å; W341-L388 HydrophobicContact CH2-CD1 4.17Å; W341-L388 HydrophobicContact CH2-CD2 4.34Å; W341-L388 HydrophobicContact CZ3-CD1 4.14Å; W341-A406 HydrophobicContact CB-CB 4.41Å; W341-A406 HydrophobicContact CD2-CB 3.74Å; W341-A406 HydrophobicContact CE3-CB 4.25Å; W341-A406 HydrophobicContact CG-CB 3.79Å; W341-A406 HydrophobicContact CZ2-CB 4.47Å; W341-A407 PolarHBondContact NE1-O 3.03Å; W341-V408 HydrophobicContact CZ2-CG1 3.6Å
342	D	89.4	Confident	93.7	Very high	57 Å²	57	29.9 Å²	29.9	31%	0.305	14%	0.142	S	C	.	.			trans	-125.4	173.6	-172.5	84	2.9	0	0	0	114.1	N340 R344 A345 A346 A361	N340-D342 PolarHBondContact O-N 3.38Å; D342-R344 PolarHBondContact O-N 3.49Å; D342-R344 WeakPolarHBondContact OD1-CA 3.29Å; D342-R344 VanDerWaalsContact OD1-CB 3.28Å; D342-R344 WeakPolarHBondContact OD1-CB 3.39Å; D342-R344 PolarHBondContact OD1-N 3.01Å; D342-A345 PolarHBondContact O-N 3.24Å; D342-A345 PolarHBondContact OD1-N 3.12Å; D342-A346 WeakPolarHBondContact O-CB 3.15Å; D342-A346 PolarHBondContact O-N 2.82Å; D342-A361 WeakPolarHBondContact O-CB 3.08Å
343	I	90.8	Very high	93.9	Very high	61 Å²	61	29.3 Å²	29.3	31%	0.313	14%	0.14	S	C	.	.	H	α-helix	trans	-65.8	-21.7	-178.7	-159.1	64.9	0	0	0	113	T347 A358	I343-T347 WeakPolarHBondContact O-CB 3.43Å; I343-T347 PolarHBondContact O-N 3.24Å; I343-T347 PolarHBondContact O-OG1 3.45Å; I343-A358 HydrophobicContact CD1-CB 3.73Å; I343-A358 HydrophobicContact CG1-CB 4.46Å
344	R	94.6	Very high	93.8	Very high	113 Å²	113	29.1 Å²	29.1	43%	0.426	14%	0.143	S	C	.	.	H	α-helix	trans	-76.1	-48.4	179.2	-56.6	177.5	-177.2	-132.7	4.8	109.4	D342 T347 V348	D342-R344 PolarHBondContact O-N 3.49Å; D342-R344 WeakPolarHBondContact OD1-CA 3.29Å; D342-R344 VanDerWaalsContact OD1-CB 3.28Å; D342-R344 WeakPolarHBondContact OD1-CB 3.39Å; D342-R344 PolarHBondContact OD1-N 3.01Å; R344-T347 WeakPolarHBondContact O-CB 3.32Å; R344-T347 PolarHBondContact O-N 3.06Å; R344-T347 VanDerWaalsContact O-N 3.14Å; R344-V348 PolarHBondContact O-N 2.78Å
345	A	97.1	Very high	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-46.2	174.9	0	0	0	0	0	111.4	W341 D342 T347 V348 V349 V379 C381 L388	W341-A345 HydrophobicContact CE3-CB 3.81Å; W341-A345 HydrophobicContact CH2-CB 3.94Å; W341-A345 HydrophobicContact CZ3-CB 3.5Å; D342-A345 PolarHBondContact O-N 3.24Å; D342-A345 PolarHBondContact OD1-N 3.12Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 2.87Å; A345-V348 WeakPolarHBondContact O-CB 3.45Å; A345-V348 PolarHBondContact O-N 2.03Å; A345-V348 VanDerWaalsContact O-N 3.09Å; A345-V349 PolarHBondContact O-N 3.1Å; A345-V349 VanDerWaalsContact O-N 3.15Å; A345-V379 HydrophobicContact CB-CG1 4.18Å; A345-C381 VanDerWaalsContact CA-SG 3.53Å; A345-C381 HydrophobicContact CB-CB 4.12Å; A345-L388 HydrophobicContact CB-CD1 4.47Å
346	A	96.6	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-38.2	173.4	0	0	0	0	0	112.8	W341 D342 V349 C350 A358 A361 V408	W341-A346 HydrophobicContact CZ2-CB 4.08Å; D342-A346 WeakPolarHBondContact O-CB 3.15Å; D342-A346 PolarHBondContact O-N 2.82Å; A346-V349 PolarHBondContact O-N 3.28Å; A346-C350 PolarHBondContact O-N 3.06Å; A346-C350 PolarHBondContact O-SG 2.97Å; A346-C350 VanDerWaalsContact O-SG 3.34Å; A346-A358 HydrophobicContact CB-CB 3.55Å; A346-A361 HydrophobicContact CB-CB 3.81Å; A346-V408 HydrophobicContact CB-CB 4.39Å; A346-V408 HydrophobicContact CB-CG1 3.55Å
347	T	95.9	Very high	93.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-34	177.2	-69.6	0	0	0	0	112.4	I343 R344 A345 R351 A358	I343-T347 WeakPolarHBondContact O-CB 3.43Å; I343-T347 PolarHBondContact O-N 3.24Å; I343-T347 PolarHBondContact O-OG1 3.45Å; R344-T347 WeakPolarHBondContact O-CB 3.32Å; R344-T347 PolarHBondContact O-N 3.06Å; R344-T347 VanDerWaalsContact O-N 3.14Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 2.87Å; T347-R351 HydrophobicContact CG2-CG 4.35Å; T347-R351 WeakPolarHBondContact O-CB 3.47Å; T347-R351 VanDerWaalsContact O-CG 3.29Å; T347-R351 WeakPolarHBondContact O-CG 3.36Å; T347-R351 PolarHBondContact O-N 3.35Å; T347-A358 PolarHBondContact OG1-N 2.78Å; T347-A358 VanDerWaalsContact OG1-N 3.16Å
348	V	97.3	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-49.3	172.2	174.9	0	0	0	0	109.9	R344 A345 C350 R351 E352 C381 E385 S387	R344-V348 PolarHBondContact O-N 2.78Å; A345-V348 WeakPolarHBondContact O-CB 3.45Å; A345-V348 PolarHBondContact O-N 2.03Å; A345-V348 VanDerWaalsContact O-N 3.09Å; V348-C350 PolarHBondContact O-N 2.73Å; V348-R351 PolarHBondContact O-N 3.38Å; V348-E352 WeakPolarHBondContact O-CB 3.04Å; V348-E352 PolarHBondContact O-N 3.15Å; V348-C381 HydrophobicContact CG2-CB 3.98Å; V348-E385 HydrophobicContact CG1-CB 4Å; V348-E385 HydrophobicContact CG2-CB 4.11Å; V348-E385 WeakPolarHBondContact CG2-OE2 3.32Å; V348-S387 VanDerWaalsContact CG1-C 3.48Å
349	V	97.6	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-50.6	176.6	175.9	0	0	0	0	111.6	V312 L314 V325 W341 A345 A346 R351 E352 L353 L388 V408	V312-V349 HydrophobicContact CG1-CG1 4Å; L314-V349 HydrophobicContact CD2-CG1 4.06Å; V325-V349 HydrophobicContact CG1-CG1 4.38Å; V325-V349 HydrophobicContact CG1-CG2 4.11Å; V325-V349 HydrophobicContact CG2-CG1 4.25Å; V325-V349 HydrophobicContact CG2-CG2 4.45Å; W341-V349 HydrophobicContact CH2-CG2 3.92Å; W341-V349 HydrophobicContact CZ2-CG2 4.47Å; A345-V349 PolarHBondContact O-N 3.1Å; A345-V349 VanDerWaalsContact O-N 3.15Å; A346-V349 PolarHBondContact O-N 3.28Å; V349-R351 VanDerWaalsContact C-N 3.32Å; V349-R351 PolarHBondContact O-N 2.89Å; V349-E352 PolarHBondContact O-N 3.09Å; V349-L353 HydrophobicContact CG1-CD1 3.84Å; V349-L353 WeakPolarHBondContact O-CG 3.22Å; V349-L353 PolarHBondContact O-N 3.46Å; V349-L353 VanDerWaalsContact O-N 3.08Å; V349-L388 HydrophobicContact CG2-CB 4.17Å; V349-L388 HydrophobicContact CG2-CD1 3.87Å; V349-L388 HydrophobicContact CG2-CD2 3.72Å; V349-L388 HydrophobicContact CG2-CG 4.13Å; V349-V408 HydrophobicContact CB-CG1 4.34Å; V349-V408 HydrophobicContact CG1-CG1 4.38Å; V349-V408 HydrophobicContact CG1-CG2 4.08Å
350	C	96.6	Very high	93.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-43.4	-179.3	-71.1	0	0	0	0	112.3	A346 V348 G354 F355 G356 C410	A346-C350 PolarHBondContact O-N 3.06Å; A346-C350 PolarHBondContact O-SG 2.97Å; A346-C350 VanDerWaalsContact O-SG 3.34Å; V348-C350 PolarHBondContact O-N 2.73Å; C350-G354 PolarHBondContact O-N 3.26Å; C350-F355 HydrophobicContact CB-CB 4.31Å; C350-F355 CarbonylContact O-C 3.6Å; C350-F355 WeakPolarHBondContact O-CA 3.21Å; C350-F355 VanDerWaalsContact O-CB 3.27Å; C350-F355 WeakPolarHBondContact O-CB 3.41Å; C350-F355 PolarHBondContact O-N 3.03Å; C350-G356 WeakPolarHBondContact CB-O 3.02Å; C350-C410 WeakPolarHBondContact CA-SG 3.37Å; C350-C410 HydrophobicContact CB-CB 3.72Å; C350-C410 WeakPolarHBondContact CB-SG 3.35Å; C350-C410 WeakPolarHBondContact SG-CA 3.45Å; C350-C410 WeakPolarHBondContact SG-CB 3.26Å; C350-C410 CovalentContact SG-SG 2.03Å; C350-C410 PolarHBondContact SG-SG 2.9Å
351	R	94.9	Very high	93.9	Very high	46 Å²	46	29.9 Å²	29.9	17%	0.174	14%	0.144	C	C	.	.	H	α-helix	trans	-70.4	-40.4	179.8	-73.1	175.9	58.5	-119.9	-15.9	112.5	R216 P225 T347 V348 V349 L353 G354 G383 E385	R216-R351 VanDerWaalsContact CZ-CZ 3.5Å; P225-R351 HydrophobicContact CB-CB 4.49Å; P225-R351 PolarHBondContact O-NE 3.43Å; P225-R351 VanDerWaalsContact O-NE 3.11Å; T347-R351 HydrophobicContact CG2-CG 4.35Å; T347-R351 WeakPolarHBondContact O-CB 3.47Å; T347-R351 VanDerWaalsContact O-CG 3.29Å; T347-R351 WeakPolarHBondContact O-CG 3.36Å; T347-R351 PolarHBondContact O-N 3.35Å; V348-R351 PolarHBondContact O-N 3.38Å; V349-R351 VanDerWaalsContact C-N 3.32Å; V349-R351 PolarHBondContact O-N 2.89Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.34Å; R351-G354 PolarHBondContact O-N 2.97Å; R351-G383 PolarHBondContact NH1-O 2.91Å; R351-G383 VanDerWaalsContact NH1-O 3.15Å; R351-E385 PolarHBondContact NH1-O 3.29Å
352	E	94.7	Very high	93.6	Very high	55 Å²	55	29.5 Å²	29.5	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-56.3	-44.5	175.4	176.5	172.8	-168.5	0	0	111	V312 V348 V349 G354 S387 L388	V312-E352 WeakPolarHBondContact CG2-OE1 3.21Å; V312-E352 VanDerWaalsContact CG2-OE2 3.28Å; V312-E352 WeakPolarHBondContact CG2-OE2 3.2Å; V348-E352 WeakPolarHBondContact O-CB 3.04Å; V348-E352 PolarHBondContact O-N 3.15Å; V349-E352 PolarHBondContact O-N 3.09Å; E352-G354 PolarHBondContact O-N 3.35Å; E352-S387 VanDerWaalsContact OE1-CB 3.3Å; E352-S387 WeakPolarHBondContact OE1-CB 3.26Å; E352-S387 PolarHBondContact OE1-OG 3.18Å; E352-S387 WeakPolarHBondContact OE2-CA 3.32Å; E352-S387 PolarHBondContact OE2-OG 2.89Å; E352-L388 PolarHBondContact OE2-N 3.33Å
353	L	93.1	Very high	93.6	Very high	54 Å²	54	28.6 Å²	28.6	28%	0.283	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.7	177.9	-63.6	172.6	0	0	0	113.9	V312 L314 V349 R351 F355	V312-L353 WeakPolarHBondContact O-CD2 3.08Å; L314-L353 HydrophobicContact CD1-CD1 3.7Å; L314-L353 HydrophobicContact CD2-CD1 4.03Å; L314-L353 HydrophobicContact CG-CD1 3.53Å; V349-L353 HydrophobicContact CG1-CD1 3.84Å; V349-L353 WeakPolarHBondContact O-CG 3.22Å; V349-L353 PolarHBondContact O-N 3.46Å; V349-L353 VanDerWaalsContact O-N 3.08Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.34Å; L353-F355 HydrophobicContact CB-CD2 3.62Å; L353-F355 HydrophobicContact CB-CE2 3.57Å; L353-F355 HydrophobicContact CD1-CD2 4.5Å; L353-F355 HydrophobicContact CD1-CE2 4.19Å
354	G	92.1	Very high	93.2	Very high	13 Å²	13	27.5 Å²	27.5	13%	0.134	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	16	177.6	0	0	0	0	0	114.8	P225 G290 C350 R351 E352	P225-G354 WeakPolarHBondContact CD-O 3Å; G290-G354 VanDerWaalsContact CA-O 3.29Å; G290-G354 WeakPolarHBondContact CA-O 3.03Å; C350-G354 PolarHBondContact O-N 3.26Å; R351-G354 PolarHBondContact O-N 2.97Å; E352-G354 PolarHBondContact O-N 3.35Å
355	F	94.1	Very high	92.7	Very high	23 Å²	23	22.5 Å²	22.5	10%	0.101	13%	0.127	C	C	.	.			trans	-90	-176.4	167.7	-52	-66.4	0	0	0	110.8	G223 F224 P225 F293 I320 C350 L353 C410 V412	G223-F355 CarbonylContact O-C 3.57Å; F224-F355 CarbonylContact C-O 3.46Å; P225-F355 WeakPolarHBondContact CA-O 3.18Å; P225-F355 VanDerWaalsContact CB-O 3.23Å; P225-F355 WeakPolarHBondContact CB-O 3.39Å; P225-F355 WeakPolarHBondContact CD-O 3.23Å; P225-F355 VanDerWaalsContact N-O 3.11Å; F293-F355 AromaticContact CE2-CD1 3.68Å; F293-F355 HydrophobicContact CE2-CD1 3.68Å; F293-F355 AromaticContact CE2-CE1 3.61Å; F293-F355 HydrophobicContact CE2-CE1 3.61Å; F293-F355 HydrophobicContact CZ-CD1 4.14Å; F293-F355 AromaticContact CZ-CE1 3.79Å; F293-F355 HydrophobicContact CZ-CE1 3.79Å; I320-F355 HydrophobicContact CG2-CE1 3.51Å; I320-F355 HydrophobicContact CG2-CZ 3.87Å; C350-F355 HydrophobicContact CB-CB 4.31Å; C350-F355 CarbonylContact O-C 3.6Å; C350-F355 WeakPolarHBondContact O-CA 3.21Å; C350-F355 VanDerWaalsContact O-CB 3.27Å; C350-F355 WeakPolarHBondContact O-CB 3.41Å; C350-F355 PolarHBondContact O-N 3.03Å; L353-F355 HydrophobicContact CB-CD2 3.62Å; L353-F355 HydrophobicContact CB-CE2 3.57Å; L353-F355 HydrophobicContact CD1-CD2 4.5Å; L353-F355 HydrophobicContact CD1-CE2 4.19Å; F355-C410 HydrophobicContact CB-CB 3.67Å; F355-C410 HydrophobicContact CD2-CB 4.12Å; F355-C410 HydrophobicContact CG-CB 3.96Å; F355-V412 HydrophobicContact CD1-CG2 4.01Å; F355-V412 HydrophobicContact CE1-CG2 4.42Å
356	G	94.3	Very high	92.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.			trans	-82.4	-144	175.8	0	0	0	0	0	113.8	G220 G223 C350 N411	G220-G356 VanDerWaalsContact O-CA 3.23Å; G220-G356 WeakPolarHBondContact O-CA 3.43Å; G223-G356 VanDerWaalsContact C-CA 3.43Å; G223-G356 PolarHBondContact O-N 3.36Å; C350-G356 WeakPolarHBondContact CB-O 3.02Å; G356-N411 PolarHBondContact N-O 2.87Å
357	S	94.8	Very high	91.7	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.049	14%	0.143	C	C	.	.	S	Bend	trans	-72.3	158.7	171.6	52.7	0	0	0	0	111.2	G220 M221 A258 N411	G220-S357 PolarHBondContact O-N 3.11Å; G220-S357 PolarHBondContact O-OG 3.48Å; M221-S357 PolarHBondContact N-OG 3.36Å; A258-S357 PolarHBondContact O-OG 3.15Å; S357-N411 WeakPolarHBondContact O-CB 3.27Å; S357-N411 PolarHBondContact O-N 2.86Å; S357-N411 PolarHBondContact O-ND2 3.13Å; S357-N411 VanDerWaalsContact O-ND2 3.12Å; S357-N411 PolarHBondContact OG-ND2 3.28Å
358	A	94.8	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.2	169.1	0	0	0	0	0	110.1	A258 I343 A346 T347 R409	A258-A358 WeakPolarHBondContact CB-O 3.49Å; I343-A358 HydrophobicContact CD1-CB 3.73Å; I343-A358 HydrophobicContact CG1-CB 4.46Å; A346-A358 HydrophobicContact CB-CB 3.55Å; T347-A358 PolarHBondContact OG1-N 2.78Å; T347-A358 VanDerWaalsContact OG1-N 3.16Å; A358-R409 CarbonylContact C-O 3.59Å
359	K	89.9	Confident	90.8	Very high	118 Å²	118	28.1 Å²	28.1	51%	0.513	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-43.5	164.6	-66	176.5	-179.8	164.7	0	110.5	R409 N411	K359-R409 WeakPolarHBondContact CA-O 3.34Å; K359-R409 HydrophobicContact CB-CB 4.48Å; K359-R409 WeakPolarHBondContact CB-O 3.3Å; K359-R409 PolarHBondContact N-O 2.87Å; K359-N411 WeakPolarHBondContact CE-OD1 3.38Å; K359-N411 WeakPolarHBondContact CG-OD1 3.37Å
360	E	89.1	Confident	90.4	Very high	30 Å²	30	28.2 Å²	28.2	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.6	-175.7	-58.5	-177.2	164.7	0	0	109.8	L362 R409	E360-L362 HydrophobicContact CB-CD2 4.24Å; E360-L362 HydrophobicContact CB-CG 4.33Å; E360-R409 HydrophobicContact CB-CB 4.24Å; E360-R409 PolarHBondContact N-O 3.18Å; E360-R409 PolarHBondContact O-N 3.44Å; E360-R409 WeakPolarHBondContact OE2-CD 3.08Å; E360-R409 IonicContact OE2-CZ 3.07Å; E360-R409 IonicContact OE2-NH1 3.9Å; E360-R409 PolarHBondContact OE2-NH1 2.63Å
361	A	90.8	Very high	89.9	Confident	30 Å²	30	30.3 Å²	30.3	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.9	159.1	0	0	0	0	0	106.5	D342 A346	D342-A361 WeakPolarHBondContact O-CB 3.08Å; A346-A361 HydrophobicContact CB-CB 3.81Å
362	L	87.9	Confident	89.5	Confident	10 Å²	10	31 Å²	31	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.5	-174.7	-66.6	172.5	0	0	0	109.5	W341 E360 M367 A407 R409	W341-L362 VanDerWaalsContact CD1-O 3.31Å; E360-L362 HydrophobicContact CB-CD2 4.24Å; E360-L362 HydrophobicContact CB-CG 4.33Å; L362-M367 HydrophobicContact CD1-CE 3.51Å; L362-M367 HydrophobicContact CD1-CG 3.9Å; L362-A407 HydrophobicContact CB-CB 3.75Å; L362-A407 HydrophobicContact CD1-CB 4.27Å; L362-A407 PolarHBondContact N-O 3.27Å; L362-A407 PolarHBondContact O-N 2.91Å; L362-R409 HydrophobicContact CD1-CG 3.89Å
363	T	88.1	Confident	89.3	Confident	38 Å²	38	29.9 Å²	29.9	23%	0.233	19%	0.185	C	C	.	.			trans	-126.4	164	180	67.7	0	0	0	0	109.4	D338 W341 R366	D338-T363 HydrophobicContact CB-CG2 3.79Å; D338-T363 WeakPolarHBondContact OD2-CA 3.33Å; D338-T363 VanDerWaalsContact OD2-CB 3.29Å; D338-T363 WeakPolarHBondContact OD2-CB 3.37Å; W341-T363 HydrophobicContact CB-CG2 4.41Å; T363-R366 WeakPolarHBondContact O-CD 3.48Å; T363-R366 WeakPolarHBondContact O-CG 3.26Å; T363-R366 PolarHBondContact O-NE 2.98Å
364	G	84	Confident	89.3	Confident	37 Å²	37	28.2 Å²	28.2	38%	0.381	18%	0.177	S	C	.	.	S	Bend	trans	79.5	38.5	172.3	0	0	0	0	0	113.2	D338 R366 E403	D338-G364 WeakPolarHBondContact OD2-CA 3.41Å; D338-G364 PolarHBondContact OD2-N 2.92Å; G364-R366 PolarHBondContact O-N 3.14Å; G364-E403 CarbonylContact C-O 3.53Å; G364-E403 WeakPolarHBondContact CA-O 3.23Å
365	G	82.5	Confident	89.4	Confident	9 Å²	9	28.7 Å²	28.7	9%	0.093	18%	0.176	C	C	.	.	S	Bend	trans	59	21.7	176.4	0	0	0	0	0	113.9	M367 G368 E403 D405	G365-M367 PolarHBondContact O-N 2.86Å; G365-G368 CarbonylContact O-C 3.58Å; G365-G368 PolarHBondContact O-N 2.78Å; G365-E403 PolarHBondContact N-O 2.78Å; G365-D405 PolarHBondContact N-O 2.89Å
366	R	84.9	Confident	89.4	Confident	74 Å²	74	27.8 Å²	27.8	28%	0.279	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-6.7	-168.5	-80.3	179	-176.6	178.6	0.4	115.5	T363 G364 L593	T363-R366 WeakPolarHBondContact O-CD 3.48Å; T363-R366 WeakPolarHBondContact O-CG 3.26Å; T363-R366 PolarHBondContact O-NE 2.98Å; G364-R366 PolarHBondContact O-N 3.14Å; R366-L593 WeakPolarHBondContact O-CD1 3.41Å; R366-L593 WeakPolarHBondContact O-CD2 3.45Å
367	M	87.7	Confident	89.3	Confident	9 Å²	9	28.2 Å²	28.2	4%	0.044	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	31.9	175.6	-69.7	-68	-171.6	0	0	111	E322 L362 G365 A407 R409	E322-M367 HydrophobicContact CB-CE 4.17Å; E322-M367 HydrophobicContact CG-CE 4.38Å; E322-M367 WeakPolarHBondContact OE2-CE 3.45Å; L362-M367 HydrophobicContact CD1-CE 3.51Å; L362-M367 HydrophobicContact CD1-CG 3.9Å; G365-M367 PolarHBondContact O-N 2.86Å; M367-A407 HydrophobicContact CB-CB 3.84Å; M367-A407 HydrophobicContact CG-CB 3.76Å; M367-R409 HydrophobicContact CE-CG 3.96Å
368	G	85.8	Confident	89.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.01	19%	0.186	C	C	.	.			trans	87.3	150.8	-174.6	0	0	0	0	0	111.7	R324 G365 N591	R324-G368 WeakPolarHBondContact CD-O 3.49Å; R324-G368 PolarHBondContact NH1-O 2.03Å; G365-G368 CarbonylContact O-C 3.58Å; G365-G368 PolarHBondContact O-N 2.78Å; G368-N591 CarbonylContact C-O 3.48Å; G368-N591 WeakPolarHBondContact CA-O 3.36Å
369	Q	89.6	Confident	89.1	Confident	37 Å²	37	31 Å²	31	17%	0.173	19%	0.187	C	C	.	.			trans	-80.6	142.7	175.3	-62.2	-174.9	13.6	0	0	110.3	R324 H402 N591	R324-Q369 VanDerWaalsContact NH1-C 3.27Å; R324-Q369 PolarHBondContact NH1-O 3.19Å; Q369-H402 HydrophobicContact CB-CB 4.03Å; Q369-H402 HydrophobicContact CG-CB 4.5Å; Q369-N591 HydrophobicContact CB-CB 4.02Å; Q369-N591 PolarHBondContact N-O 3.09Å
370	G	89.1	Confident	89.4	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.01	19%	0.185	C	C	.	.			trans	-79.4	-170.2	170.2	0	0	0	0	0	112.3	D405 N591	G370-D405 WeakPolarHBondContact CA-OD2 3.35Å; G370-D405 PolarHBondContact N-OD2 2.95Å; G370-N591 PolarHBondContact O-ND2 2.76Å
371	V	86.3	Confident	89.7	Confident	45 Å²	45	29.3 Å²	29.3	27%	0.273	18%	0.182	S	C	.	.			trans	-139.7	152.4	173.2	-68.7	0	0	0	0	109.8	V537 N591	V371-V537 HydrophobicContact CG1-CB 4.3Å; V371-V537 HydrophobicContact CG1-CG1 3.91Å; V371-V537 HydrophobicContact CG1-CG2 4.4Å; V371-V537 HydrophobicContact CG2-CG1 4.35Å; V371-N591 WeakPolarHBondContact CG1-ND2 3.2Å
372	G	86.6	Confident	89.9	Confident	59 Å²	59	30.6 Å²	30.6	61%	0.608	19%	0.189	S	C	*	.	S	Bend	trans	85.2	-133.2	174	0	0	0	0	0	113	H402	G372-H402 PolarHBondContact N-NE2 2.9Å; G372-H402 PolarHBondContact O-CE1 3.04Å; G372-H402 PolarHBondContact O-NE2 3.18Å; G372-H402 VanDerWaalsContact O-NE2 3.13Å
373	A	90.3	Very high	90.1	Very high	32 Å²	32	30.1 Å²	30.1	26%	0.264	19%	0.186	S	C	.	.			trans	-83.1	140.6	-171.3	0	0	0	0	0	113	G334 T335	G334-A373 CarbonylContact C-O 3.5Å; G334-A373 WeakPolarHBondContact CA-O 3.22Å; T335-A373 PolarHBondContact N-O 3.25Å
374	V	93	Very high	90.4	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109	164.1	-175.3	0	0	0	0	107.9	C337 S397 C400	C337-V374 HydrophobicContact CB-CG1 3.9Å; V374-S397 PolarHBondContact O-OG 3.3Å; V374-S397 VanDerWaalsContact O-OG 3.12Å; V374-C400 HydrophobicContact CG1-CB 4.36Å
375	H	94.1	Very high	91	Very high	23 Å²	23	32 Å²	32	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-21.9	-167.4	-80.7	-30.8	0	0	0	115.1	V327 K329 E332 G334 T335	V327-H375 HydrophobicContact CG2-CB 3.69Å; V327-H375 PolarHBondContact O-CD2 2.91Å; K329-H375 HydrophobicContact CD-CB 4.24Å; K329-H375 PolarHBondContact NZ-O 3.21Å; E332-H375 PolarHBondContact O-NE2 3.22Å; G334-H375 WeakPolarHBondContact CA-CD2 3.08Å; G334-H375 PolarHBondContact N-CD2 3.29Å; G334-H375 PolarHBondContact N-NE2 2.05Å; T335-H375 PolarHBondContact O-N 3.18Å
376	M	94.1	Very high	91.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.4	-175.1	-59.8	179.3	93.1	0	0	109.9	V327 V336 C337 V379 L388 F393	V327-M376 HydrophobicContact CB-SD 4.27Å; V327-M376 HydrophobicContact CG1-SD 3.81Å; V327-M376 HydrophobicContact CG2-CG 4.04Å; V327-M376 HydrophobicContact CG2-SD 3.86Å; V336-M376 HydrophobicContact CG1-CB 4.09Å; V336-M376 HydrophobicContact CG2-CB 4.28Å; V336-M376 HydrophobicContact CG2-SD 4.28Å; C337-M376 PolarHBondContact N-O 2.81Å; M376-V379 HydrophobicContact CB-CG2 3.98Å; M376-L388 HydrophobicContact CE-CG 4.38Å; M376-L388 HydrophobicContact SD-CD2 4.21Å; M376-L388 HydrophobicContact SD-CG 4.36Å; M376-F393 HydrophobicContact CB-CB 4.45Å; M376-F393 HydrophobicContact CB-CD2 3.97Å; M376-F393 HydrophobicContact CB-CG 4.32Å; M376-F393 HydrophobicContact CE-CB 4.03Å; M376-F393 HydrophobicContact CE-CD1 3.22Å; M376-F393 HydrophobicContact CE-CD2 4.08Å; M376-F393 HydrophobicContact CE-CE1 3.56Å; M376-F393 HydrophobicContact CE-CE2 4.36Å; M376-F393 HydrophobicContact CE-CG 3.52Å; M376-F393 HydrophobicContact CE-CZ 4.12Å; M376-F393 HydrophobicContact CG-CD2 3.84Å; M376-F393 HydrophobicContact CG-CE2 3.97Å; M376-F393 HydrophobicContact CG-CG 4.2Å; M376-F393 HydrophobicContact CG-CZ 4.44Å
377	N	91.4	Very high	91.9	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.4	172.9	-169.4	19.1	0	0	0	110.6	C337 D339 V379 F393 N394 D396	C337-N377 HydrophobicContact CB-CB 4.21Å; C337-N377 WeakPolarHBondContact CB-OD1 3.3Å; C337-N377 PolarHBondContact SG-OD1 2.79Å; D339-N377 WeakPolarHBondContact CB-OD1 3.42Å; D339-N377 PolarHBondContact OD2-OD1 3.49Å; N377-V379 VanDerWaalsContact C-N 3.31Å; N377-V379 PolarHBondContact O-N 3.33Å; N377-F393 WeakPolarHBondContact O-CB 3.41Å; N377-N394 HydrophobicContact CB-CB 4.29Å; N377-N394 PolarHBondContact N-O 3.46Å; N377-N394 PolarHBondContact O-N 3.42Å; N377-D396 PolarHBondContact ND2-O 2.76Å
378	E	91	Very high	92.3	Very high	64 Å²	64	36 Å²	36	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.6	49.1	175.6	-61.5	-176.7	132.6	0	0	113.5	D339 Q380 N394	D339-E378 HydrophobicContact CB-CG 3.95Å; D339-E378 VanDerWaalsContact O-CA 3.26Å; D339-E378 WeakPolarHBondContact O-CA 3.45Å; E378-Q380 PolarHBondContact O-N 3.4Å; E378-N394 HydrophobicContact CB-CB 4.06Å; E378-N394 HydrophobicContact CG-CB 4.47Å; E378-N394 PolarHBondContact OE2-ND2 3.44Å
379	V	95	Very high	92.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.7	-172.8	-177.6	0	0	0	0	111	V336 W341 A345 M376 N377 L388 C391 F393	V336-V379 HydrophobicContact CG1-CG2 3.66Å; W341-V379 HydrophobicContact CE3-CB 4.24Å; W341-V379 HydrophobicContact CZ3-CB 4.16Å; W341-V379 HydrophobicContact CZ3-CG1 4.28Å; W341-V379 HydrophobicContact CZ3-CG2 4.43Å; A345-V379 HydrophobicContact CB-CG1 4.18Å; M376-V379 HydrophobicContact CB-CG2 3.98Å; N377-V379 VanDerWaalsContact C-N 3.31Å; N377-V379 PolarHBondContact O-N 3.33Å; V379-L388 HydrophobicContact CG1-CD1 3.86Å; V379-C391 HydrophobicContact CG1-CB 4.04Å; V379-F393 HydrophobicContact CG2-CB 4.01Å
380	Q	95.4	Very high	92.9	Very high	104 Å²	104	42.3 Å²	42.3	49%	0.486	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.9	-179.3	-64.3	176.7	28.4	0	0	110.7	E378 Y392	E378-Q380 PolarHBondContact O-N 3.4Å; Q380-Y392 HydrophobicContact CB-CD1 4.19Å; Q380-Y392 HydrophobicContact CG-CD1 4.39Å; Q380-Y392 PolarHBondContact N-O 3.04Å; Q380-Y392 PolarHBondContact O-N 3.47Å
381	C	96.6	Very high	93.2	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.068	24%	0.235	C	C	.	.			trans	-106.6	144.1	176.5	-60.9	0	0	0	0	111.6	A345 V348 G383 C391	A345-C381 VanDerWaalsContact CA-SG 3.53Å; A345-C381 HydrophobicContact CB-CB 4.12Å; V348-C381 HydrophobicContact CG2-CB 3.98Å; C381-G383 VanDerWaalsContact C-N 3.29Å; C381-C391 HydrophobicContact CB-CB 4.07Å; C381-C391 WeakPolarHBondContact CB-SG 3.22Å; C381-C391 WeakPolarHBondContact SG-CB 3.32Å; C381-C391 CovalentContact SG-SG 2.03Å; C381-C391 PolarHBondContact SG-SG 2.9Å
382	S	95.1	Very high	93.7	Very high	56 Å²	56	47.5 Å²	47.5	39%	0.392	25%	0.249	S	C	.	.			trans	-70.5	-27.9	166.6	70.5	0	0	0	0	112.2	N256 F384 E385	N256-S382 PolarHBondContact ND2-O 2.79Å; S382-F384 PolarHBondContact OG-N 3.06Å; S382-E385 WeakPolarHBondContact CA-OE1 3.46Å; S382-E385 VanDerWaalsContact CB-OE1 3.24Å; S382-E385 WeakPolarHBondContact CB-OE1 3.42Å; S382-E385 PolarHBondContact N-OE1 3.44Å; S382-E385 PolarHBondContact N-OE2 2.04Å; S382-E385 PolarHBondContact OG-OE1 2.98Å; S382-E385 PolarHBondContact OG-OE2 3.39Å; S382-E385 VanDerWaalsContact OG-OE2 3.08Å
383	G	92.5	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	102.8	-5.6	-175.8	0	0	0	0	0	114.1	R216 N256 R351 C381 E385	R216-G383 PolarHBondContact NH2-O 2.93Å; N256-G383 WeakPolarHBondContact OD1-CA 3.22Å; N256-G383 PolarHBondContact OD1-O 3.35Å; R351-G383 PolarHBondContact NH1-O 2.91Å; R351-G383 VanDerWaalsContact NH1-O 3.15Å; C381-G383 VanDerWaalsContact C-N 3.29Å; G383-E385 WeakPolarHBondContact CA-OE2 3.12Å; G383-E385 PolarHBondContact N-OE2 2.99Å
384	F	94.5	Very high	94	Very high	84 Å²	84	47.2 Å²	47.2	37%	0.368	23%	0.227	S	C	.	.			trans	-107.8	-8.6	-176	-66.7	-80.3	0	0	0	114.2	M213 S382	M213-F384 HydrophobicContact CE-CE1 4.07Å; M213-F384 HydrophobicContact CE-CZ 4.28Å; M213-F384 HydrophobicContact SD-CE1 3.87Å; M213-F384 HydrophobicContact SD-CZ 4.22Å; S382-F384 PolarHBondContact OG-N 3.06Å
385	E	96.1	Very high	93.6	Very high	31 Å²	31	53.1 Å²	53.1	15%	0.145	25%	0.254	C	S	.	.			trans	-52.6	152.6	172.3	-61.1	80.1	-170.8	0	0	110.7	V348 R351 S382 G383 E390	V348-E385 HydrophobicContact CG1-CB 4Å; V348-E385 HydrophobicContact CG2-CB 4.11Å; V348-E385 WeakPolarHBondContact CG2-OE2 3.32Å; R351-E385 PolarHBondContact NH1-O 3.29Å; S382-E385 WeakPolarHBondContact CA-OE1 3.46Å; S382-E385 VanDerWaalsContact CB-OE1 3.24Å; S382-E385 WeakPolarHBondContact CB-OE1 3.42Å; S382-E385 PolarHBondContact N-OE1 3.44Å; S382-E385 PolarHBondContact N-OE2 2.04Å; S382-E385 PolarHBondContact OG-OE1 2.98Å; S382-E385 PolarHBondContact OG-OE2 3.39Å; S382-E385 VanDerWaalsContact OG-OE2 3.08Å; G383-E385 WeakPolarHBondContact CA-OE2 3.12Å; G383-E385 PolarHBondContact N-OE2 2.99Å; E385-E390 HydrophobicContact CB-CB 4.21Å; E385-E390 HydrophobicContact CG-CB 4.23Å
386	K	92.1	Very high	93	Very high	165 Å²	165	57 Å²	57	72%	0.717	28%	0.275	S	S	*	.	S	Bend	trans	-89	-28	177.3	-68.6	179.7	-177.8	172	0	112.2	E390	K386-E390 PolarHBondContact N-OE2 3.45Å
387	S	94.1	Very high	92.1	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.084	29%	0.288	C	S	.	.	S	Bend	trans	-138.4	149.9	177.9	177.2	0	0	0	0	110.6	V348 E352 T389 E390	V348-S387 VanDerWaalsContact CG1-C 3.48Å; E352-S387 VanDerWaalsContact OE1-CB 3.3Å; E352-S387 WeakPolarHBondContact OE1-CB 3.26Å; E352-S387 PolarHBondContact OE1-OG 3.18Å; E352-S387 WeakPolarHBondContact OE2-CA 3.32Å; E352-S387 PolarHBondContact OE2-OG 2.89Å; S387-T389 PolarHBondContact O-N 3.17Å; S387-T389 PolarHBondContact OG-N 2.5Å; S387-T389 PolarHBondContact OG-OG1 3.29Å; S387-E390 WeakPolarHBondContact O-CB 3.19Å; S387-E390 PolarHBondContact O-N 3.42Å; S387-E390 VanDerWaalsContact O-N 3.08Å
388	L	96	Very high	91.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.4	-32.5	176	-170.9	65.2	0	0	0	111.8	V312 V325 V327 V336 W341 A345 V349 E352 M376 V379 E390 C391	V312-L388 HydrophobicContact CG2-CB 4.01Å; V325-L388 HydrophobicContact CG1-CD2 3.89Å; V327-L388 HydrophobicContact CG1-CD2 3.83Å; V336-L388 HydrophobicContact CG2-CD2 4.18Å; W341-L388 HydrophobicContact CH2-CD1 4.17Å; W341-L388 HydrophobicContact CH2-CD2 4.34Å; W341-L388 HydrophobicContact CZ3-CD1 4.14Å; A345-L388 HydrophobicContact CB-CD1 4.47Å; V349-L388 HydrophobicContact CG2-CB 4.17Å; V349-L388 HydrophobicContact CG2-CD1 3.87Å; V349-L388 HydrophobicContact CG2-CD2 3.72Å; V349-L388 HydrophobicContact CG2-CG 4.13Å; E352-L388 PolarHBondContact OE2-N 3.33Å; M376-L388 HydrophobicContact CE-CG 4.38Å; M376-L388 HydrophobicContact SD-CD2 4.21Å; M376-L388 HydrophobicContact SD-CG 4.36Å; V379-L388 HydrophobicContact CG1-CD1 3.86Å; L388-E390 PolarHBondContact O-N 3.34Å; L388-C391 WeakPolarHBondContact O-CB 3.37Å; L388-C391 PolarHBondContact O-N 2.84Å; L388-C391 VanDerWaalsContact O-N 3.1Å
389	T	93	Very high	90.7	Very high	59 Å²	59	66.2 Å²	66.2	36%	0.362	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.3	-179.6	63.3	0	0	0	0	113.6	L311 S387	L311-T389 HydrophobicContact CB-CG2 4.41Å; S387-T389 PolarHBondContact O-N 3.17Å; S387-T389 PolarHBondContact OG-N 2.5Å; S387-T389 PolarHBondContact OG-OG1 3.29Å
390	E	94.9	Very high	90.3	Very high	111 Å²	111	67.1 Å²	67.1	52%	0.519	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-86.6	-14.4	174.3	-61.5	176.3	171.4	0	0	112.6	E385 K386 S387 L388	E385-E390 HydrophobicContact CB-CB 4.21Å; E385-E390 HydrophobicContact CG-CB 4.23Å; K386-E390 PolarHBondContact N-OE2 3.45Å; S387-E390 WeakPolarHBondContact O-CB 3.19Å; S387-E390 PolarHBondContact O-N 3.42Å; S387-E390 VanDerWaalsContact O-N 3.08Å; L388-E390 PolarHBondContact O-N 3.34Å
391	C	95.7	Very high	89.8	Confident	7 Å²	7	64.7 Å²	64.7	5%	0.047	35%	0.346	C	S	.	.	S	Bend	trans	-71.6	157.7	177.1	-59.9	0	0	0	0	111.2	V379 C381 L388 F393	V379-C391 HydrophobicContact CG1-CB 4.04Å; C381-C391 HydrophobicContact CB-CB 4.07Å; C381-C391 WeakPolarHBondContact CB-SG 3.22Å; C381-C391 WeakPolarHBondContact SG-CB 3.32Å; C381-C391 CovalentContact SG-SG 2.03Å; C381-C391 PolarHBondContact SG-SG 2.9Å; L388-C391 WeakPolarHBondContact O-CB 3.37Å; L388-C391 PolarHBondContact O-N 2.84Å; L388-C391 VanDerWaalsContact O-N 3.1Å; C391-F393 WeakPolarHBondContact O-CD1 3.5Å
392	Y	96.1	Very high	89.4	Confident	148 Å²	148	66.2 Å²	66.2	58%	0.58	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.8	166.9	175.2	-97.2	0	0	0	109.2	Q380	Q380-Y392 HydrophobicContact CB-CD1 4.19Å; Q380-Y392 HydrophobicContact CG-CD1 4.39Å; Q380-Y392 PolarHBondContact N-O 3.04Å; Q380-Y392 PolarHBondContact O-N 3.47Å
393	F	93.9	Very high	88.9	Confident	40 Å²	40	68.1 Å²	68.1	18%	0.175	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.2	174	65.4	-84.3	0	0	0	109.8	M376 N377 V379 C391 Q395	M376-F393 HydrophobicContact CB-CB 4.45Å; M376-F393 HydrophobicContact CB-CD2 3.97Å; M376-F393 HydrophobicContact CB-CG 4.32Å; M376-F393 HydrophobicContact CE-CB 4.03Å; M376-F393 HydrophobicContact CE-CD1 3.22Å; M376-F393 HydrophobicContact CE-CD2 4.08Å; M376-F393 HydrophobicContact CE-CE1 3.56Å; M376-F393 HydrophobicContact CE-CE2 4.36Å; M376-F393 HydrophobicContact CE-CG 3.52Å; M376-F393 HydrophobicContact CE-CZ 4.12Å; M376-F393 HydrophobicContact CG-CD2 3.84Å; M376-F393 HydrophobicContact CG-CE2 3.97Å; M376-F393 HydrophobicContact CG-CG 4.2Å; M376-F393 HydrophobicContact CG-CZ 4.44Å; N377-F393 WeakPolarHBondContact O-CB 3.41Å; V379-F393 HydrophobicContact CG2-CB 4.01Å; C391-F393 WeakPolarHBondContact O-CD1 3.5Å; F393-Q395 HydrophobicContact CD2-CG 4.42Å; F393-Q395 HydrophobicContact CE2-CG 3.9Å
394	N	90.3	Very high	88.6	Confident	44 Å²	44	70.7 Å²	70.7	24%	0.235	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.4	170.8	-169.2	-12.1	0	0	0	109.6	N377 E378 D396	N377-N394 HydrophobicContact CB-CB 4.29Å; N377-N394 PolarHBondContact N-O 3.46Å; N377-N394 PolarHBondContact O-N 3.42Å; E378-N394 HydrophobicContact CB-CB 4.06Å; E378-N394 HydrophobicContact CG-CB 4.47Å; E378-N394 PolarHBondContact OE2-ND2 3.44Å; N394-D396 PolarHBondContact OD1-N 3.17Å
395	Q	83.9	Confident	88.6	Confident	143 Å²	143	66.8 Å²	66.8	67%	0.668	35%	0.35	S	S	*	.	S	Bend	trans	-83.2	-21.8	-179.8	-64.7	-174.8	0.9	0	0	112.4	F393 S397	F393-Q395 HydrophobicContact CD2-CG 4.42Å; F393-Q395 HydrophobicContact CE2-CG 3.9Å; Q395-S397 PolarHBondContact O-N 2.98Å
396	D	80.9	Confident	88.6	Confident	104 Å²	104	65.3 Å²	65.3	56%	0.556	34%	0.343	S	S	*	.			trans	-82.5	113.2	176.8	-63.7	-33	0	0	0	108.6	N377 N394 I398	N377-D396 PolarHBondContact ND2-O 2.76Å; N394-D396 PolarHBondContact OD1-N 3.17Å; D396-I398 VanDerWaalsContact C-N 3.31Å
397	S	76.3	Confident	88.8	Confident	41 Å²	41	57.5 Å²	57.5	29%	0.287	31%	0.309	S	S	.	.			trans	-96.7	22.3	172.9	48.7	0	0	0	0	112.2	V374 Q395 G399 C400	V374-S397 PolarHBondContact O-OG 3.3Å; V374-S397 VanDerWaalsContact O-OG 3.12Å; Q395-S397 PolarHBondContact O-N 2.98Å; S397-G399 PolarHBondContact O-N 3.43Å; S397-C400 PolarHBondContact O-N 3.38Å; S397-C400 VanDerWaalsContact O-N 3.1Å
398	I	77.1	Confident	88.9	Confident	158 Å²	158	56.9 Å²	56.9	81%	0.81	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	111	179.5	-58.3	173	0	0	0	108.6	D396	D396-I398 VanDerWaalsContact C-N 3.31Å
399	G	75.9	Confident	88.8	Confident	72 Å²	72	59.9 Å²	59.9	74%	0.742	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.1	-12.6	179.3	0	0	0	0	0	114.6	S397	S397-G399 PolarHBondContact O-N 3.43Å
400	C	85.2	Confident	88.9	Confident	21 Å²	21	57.3 Å²	57.3	14%	0.142	30%	0.301	C	S	.	.			trans	-82.7	133.4	174.2	-70.9	0	0	0	0	111.2	C337 V374 S397 E404	C337-C400 HydrophobicContact CB-CB 3.76Å; C337-C400 WeakPolarHBondContact CB-SG 3.27Å; C337-C400 WeakPolarHBondContact SG-CB 3.36Å; C337-C400 CovalentContact SG-SG 2.04Å; C337-C400 PolarHBondContact SG-SG 3.2Å; V374-C400 HydrophobicContact CG1-CB 4.36Å; S397-C400 PolarHBondContact O-N 3.38Å; S397-C400 VanDerWaalsContact O-N 3.1Å; C400-E404 WeakPolarHBondContact CA-OE2 3.36Å
401	S	85.5	Confident	88.9	Confident	52 Å²	52	53 Å²	53	36%	0.364	28%	0.281	S	S	.	.			trans	-111.6	169.3	171.7	67.6	0	0	0	0	111.1	E403 E404	S401-E403 PolarHBondContact O-N 3.03Å; S401-E403 PolarHBondContact OG-N 3.33Å; S401-E404 PolarHBondContact N-OE2 3.18Å; S401-E404 WeakPolarHBondContact O-CB 3.49Å; S401-E404 PolarHBondContact O-N 3.49Å; S401-E404 PolarHBondContact OG-OE2 3.36Å
402	H	88.6	Confident	88.6	Confident	42 Å²	42	54.7 Å²	54.7	19%	0.194	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.9	-11.3	175.7	-71	-56	0	0	0	113.7	Q369 G372 E404 D405	Q369-H402 HydrophobicContact CB-CB 4.03Å; Q369-H402 HydrophobicContact CG-CB 4.5Å; G372-H402 PolarHBondContact N-NE2 2.9Å; G372-H402 PolarHBondContact O-CE1 3.04Å; G372-H402 PolarHBondContact O-NE2 3.18Å; G372-H402 VanDerWaalsContact O-NE2 3.13Å; H402-E404 PolarHBondContact O-N 2.86Å; H402-D405 IonicContact CG-OD2 3.12Å; H402-D405 IonicContact ND1-OD1 3.15Å; H402-D405 PolarHBondContact ND1-OD1 3.09Å; H402-D405 IonicContact ND1-OD2 2.94Å; H402-D405 PolarHBondContact ND1-OD2 2.77Å; H402-D405 PolarHBondContact O-N 2.84Å
403	E	84	Confident	88.4	Confident	96 Å²	96	48 Å²	48	45%	0.449	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65.6	-18.8	166.4	-60.9	-170.7	176.4	0	0	112.3	G364 G365 S401	G364-E403 CarbonylContact C-O 3.53Å; G364-E403 WeakPolarHBondContact CA-O 3.23Å; G365-E403 PolarHBondContact N-O 2.78Å; S401-E403 PolarHBondContact O-N 3.03Å; S401-E403 PolarHBondContact OG-N 3.33Å
404	E	86.9	Confident	88	Confident	55 Å²	55	50 Å²	50	26%	0.257	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-105.4	17.1	-178	-64.2	162.1	120.8	0	0	111.6	C337 D338 C400 S401 H402 A406	C337-E404 CarbonylContact C-O 3.6Å; C337-E404 WeakPolarHBondContact CA-O 3.42Å; D338-E404 WeakPolarHBondContact CB-O 3.32Å; D338-E404 VanDerWaalsContact CG-O 3.26Å; D338-E404 PolarHBondContact N-O 2.87Å; D338-E404 WeakPolarHBondContact OD2-CA 3.13Å; C400-E404 WeakPolarHBondContact CA-OE2 3.36Å; S401-E404 PolarHBondContact N-OE2 3.18Å; S401-E404 WeakPolarHBondContact O-CB 3.49Å; S401-E404 PolarHBondContact O-N 3.49Å; S401-E404 PolarHBondContact OG-OE2 3.36Å; H402-E404 PolarHBondContact O-N 2.86Å; E404-A406 PolarHBondContact O-N 3.06Å
405	D	93.3	Very high	87.6	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-66.7	124.7	178.2	-75.4	-26.1	0	0	0	111.3	R324 T335 G365 G370 H402	R324-D405 HydrophobicContact CG-CB 4.05Å; T335-D405 WeakPolarHBondContact CB-OD1 3.43Å; T335-D405 WeakPolarHBondContact CG2-OD2 3.18Å; T335-D405 PolarHBondContact OG1-OD1 2.73Å; G365-D405 PolarHBondContact N-O 2.89Å; G370-D405 WeakPolarHBondContact CA-OD2 3.35Å; G370-D405 PolarHBondContact N-OD2 2.95Å; H402-D405 IonicContact CG-OD2 3.12Å; H402-D405 IonicContact ND1-OD1 3.15Å; H402-D405 PolarHBondContact ND1-OD1 3.09Å; H402-D405 IonicContact ND1-OD2 2.94Å; H402-D405 PolarHBondContact ND1-OD2 2.77Å; H402-D405 PolarHBondContact O-N 2.84Å
406	A	96.1	Very high	87.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.267	C	S	.	.			trans	-73.5	145	179.8	0	0	0	0	0	112.1	V325 V336 D338 W341 E404	V325-A406 PolarHBondContact N-O 2.99Å; V336-A406 HydrophobicContact CB-CB 4.25Å; V336-A406 HydrophobicContact CG1-CB 4.27Å; V336-A406 VanDerWaalsContact O-CB 3.29Å; V336-A406 WeakPolarHBondContact O-CB 3.39Å; V336-A406 PolarHBondContact O-N 2.94Å; D338-A406 HydrophobicContact CB-CB 4.09Å; W341-A406 HydrophobicContact CB-CB 4.41Å; W341-A406 HydrophobicContact CD2-CB 3.74Å; W341-A406 HydrophobicContact CE3-CB 4.25Å; W341-A406 HydrophobicContact CG-CB 3.79Å; W341-A406 HydrophobicContact CZ2-CB 4.47Å; E404-A406 PolarHBondContact O-N 3.06Å
407	A	96.3	Very high	87.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	165	-179.5	0	0	0	0	0	111.8	G323 W341 L362 M367	G323-A407 WeakPolarHBondContact O-CA 3.41Å; G323-A407 VanDerWaalsContact O-CB 3.32Å; G323-A407 WeakPolarHBondContact O-CB 3.45Å; W341-A407 PolarHBondContact NE1-O 3.03Å; L362-A407 HydrophobicContact CB-CB 3.75Å; L362-A407 HydrophobicContact CD1-CB 4.27Å; L362-A407 PolarHBondContact N-O 3.27Å; L362-A407 PolarHBondContact O-N 2.91Å; M367-A407 HydrophobicContact CB-CB 3.84Å; M367-A407 HydrophobicContact CG-CB 3.76Å
408	V	96.7	Very high	87.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.8	177.8	-59.5	0	0	0	0	112	L314 E322 G323 V325 W341 A346 V349	L314-V408 HydrophobicContact CD1-CG2 3.86Å; L314-V408 HydrophobicContact CD2-CG2 3.54Å; L314-V408 HydrophobicContact CG-CG2 4.38Å; E322-V408 VanDerWaalsContact CA-O 3.22Å; E322-V408 WeakPolarHBondContact CA-O 3.22Å; G323-V408 PolarHBondContact N-O 3.01Å; G323-V408 VanDerWaalsContact N-O 3.14Å; G323-V408 PolarHBondContact O-N 3.14Å; V325-V408 HydrophobicContact CG2-CG1 3.74Å; V325-V408 HydrophobicContact CG2-CG2 4.25Å; W341-V408 HydrophobicContact CZ2-CG1 3.6Å; A346-V408 HydrophobicContact CB-CB 4.39Å; A346-V408 HydrophobicContact CB-CG1 3.55Å; V349-V408 HydrophobicContact CB-CG1 4.34Å; V349-V408 HydrophobicContact CG1-CG1 4.38Å; V349-V408 HydrophobicContact CG1-CG2 4.08Å
409	R	94.9	Very high	87.4	Confident	63 Å²	63	40.8 Å²	40.8	24%	0.238	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.7	160.3	-77.8	174.5	167.4	158.8	2.2	109.5	E322 A358 K359 E360 L362 M367	E322-R409 HydrophobicContact CB-CB 4.44Å; E322-R409 HydrophobicContact CB-CG 3.71Å; E322-R409 IonicContact OE2-NE 3.13Å; E322-R409 PolarHBondContact OE2-NE 3.08Å; E322-R409 VanDerWaalsContact OE2-NE 3.1Å; A358-R409 CarbonylContact C-O 3.59Å; K359-R409 WeakPolarHBondContact CA-O 3.34Å; K359-R409 HydrophobicContact CB-CB 4.48Å; K359-R409 WeakPolarHBondContact CB-O 3.3Å; K359-R409 PolarHBondContact N-O 2.87Å; E360-R409 HydrophobicContact CB-CB 4.24Å; E360-R409 PolarHBondContact N-O 3.18Å; E360-R409 PolarHBondContact O-N 3.44Å; E360-R409 WeakPolarHBondContact OE2-CD 3.08Å; E360-R409 IonicContact OE2-CZ 3.07Å; E360-R409 IonicContact OE2-NH1 3.9Å; E360-R409 PolarHBondContact OE2-NH1 2.63Å; L362-R409 HydrophobicContact CD1-CG 3.89Å; M367-R409 HydrophobicContact CE-CG 3.96Å
410	C	95.3	Very high	87.9	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	155.1	-176.1	-54.7	0	0	0	0	112.7	G321 C350 F355	G321-C410 WeakPolarHBondContact O-CB 3.37Å; G321-C410 PolarHBondContact O-N 3.23Å; G321-C410 PolarHBondContact O-SG 3.43Å; C350-C410 WeakPolarHBondContact CA-SG 3.37Å; C350-C410 HydrophobicContact CB-CB 3.72Å; C350-C410 WeakPolarHBondContact CB-SG 3.35Å; C350-C410 WeakPolarHBondContact SG-CA 3.45Å; C350-C410 WeakPolarHBondContact SG-CB 3.26Å; C350-C410 CovalentContact SG-SG 2.03Å; C350-C410 PolarHBondContact SG-SG 2.9Å; F355-C410 HydrophobicContact CB-CB 3.67Å; F355-C410 HydrophobicContact CD2-CB 4.12Å; F355-C410 HydrophobicContact CG-CB 3.96Å
411	N	93.3	Very high	88.2	Confident	19 Å²	19	44.3 Å²	44.3	10%	0.102	24%	0.236	C	C	.	.			trans	-71.2	130.8	159.4	-74.3	-57.6	0	0	0	109.5	G220 M221 G223 G356 S357 K359	G220-N411 WeakPolarHBondContact O-CB 3.16Å; M221-N411 PolarHBondContact O-OD1 3.48Å; G223-N411 VanDerWaalsContact CA-C 3.46Å; G223-N411 WeakPolarHBondContact CA-O 3.44Å; G356-N411 PolarHBondContact N-O 2.87Å; S357-N411 WeakPolarHBondContact O-CB 3.27Å; S357-N411 PolarHBondContact O-N 2.86Å; S357-N411 PolarHBondContact O-ND2 3.13Å; S357-N411 VanDerWaalsContact O-ND2 3.12Å; S357-N411 PolarHBondContact OG-ND2 3.28Å; K359-N411 WeakPolarHBondContact CE-OD1 3.38Å; K359-N411 WeakPolarHBondContact CG-OD1 3.37Å
412	V	91	Very high	88.5	Confident	44 Å²	44	45.7 Å²	45.7	27%	0.267	23%	0.233	S	C	.	.			trans	-123	139.3	-178.3	-179.1	0	0	0	0	108.9	F293 I320 F355	F293-V412 HydrophobicContact CE1-CG1 3.88Å; F293-V412 HydrophobicContact CE2-CG1 4.38Å; F293-V412 HydrophobicContact CZ-CG1 3.62Å; I320-V412 VanDerWaalsContact O-CG2 3.32Å; I320-V412 WeakPolarHBondContact O-CG2 3.38Å; F355-V412 HydrophobicContact CD1-CG2 4.01Å; F355-V412 HydrophobicContact CE1-CG2 4.42Å
413	P	90.5	Very high	88.7	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.039	23%	0.233	C	C	.	.			trans	-59.3	140.3	-179.5	-25.1	35.9	0	0	0	112.7	P188 Y222 G223 F224 F293 M415	P188-P413 HydrophobicContact CB-CB 3.87Å; P188-P413 HydrophobicContact CG-CB 4.17Å; Y222-P413 VanDerWaalsContact O-CA 3.32Å; Y222-P413 WeakPolarHBondContact O-CA 3.27Å; G223-P413 VanDerWaalsContact O-CD 3.26Å; G223-P413 WeakPolarHBondContact O-CD 3.29Å; G223-P413 WeakPolarHBondContact O-CG 3.35Å; F224-P413 HydrophobicContact CD1-CG 3.94Å; F224-P413 HydrophobicContact CE1-CB 3.9Å; F224-P413 HydrophobicContact CE1-CG 3.76Å; F224-P413 HydrophobicContact CZ-CB 4.28Å; F293-P413 HydrophobicContact CB-CG 4.22Å; F293-P413 HydrophobicContact CD2-CG 4.11Å; F293-P413 HydrophobicContact CG-CG 4.01Å; P413-M415 HydrophobicContact CB-SD 4.16Å; P413-M415 WeakPolarHBondContact O-CG 3.46Å; P413-M415 PolarHBondContact O-N 2.95Å
414	A	85.8	Confident	89.1	Confident	84 Å²	84	41.9 Å²	41.9	69%	0.694	22%	0.219	S	C	*	.			trans	-70.8	98.7	173.2	0	0	0	0	0	110.3
415	M	82.3	Confident	89.1	Confident	29 Å²	29	40.7 Å²	40.7	14%	0.143	22%	0.221	C	C	.	.			trans	-91.8	-4.8	-177.5	-61.2	-60.1	-71.1	0	0	114.4	I187 P188 F293 P413 F417	I187-M415 HydrophobicContact CG2-CB 4.47Å; I187-M415 HydrophobicContact CG2-CE 4.48Å; I187-M415 WeakPolarHBondContact CG2-O 3.43Å; I187-M415 HydrophobicContact CG2-SD 4.46Å; P188-M415 HydrophobicContact CB-SD 3.76Å; P188-M415 VanDerWaalsContact CD-SD 3.57Å; P188-M415 HydrophobicContact CG-SD 3.74Å; F293-M415 HydrophobicContact CB-SD 4.18Å; F293-M415 HydrophobicContact CD1-CE 4.38Å; F293-M415 HydrophobicContact CD1-CG 3.85Å; F293-M415 HydrophobicContact CD1-SD 3.93Å; F293-M415 HydrophobicContact CE1-CG 4.35Å; F293-M415 HydrophobicContact CG-SD 4.48Å; P413-M415 HydrophobicContact CB-SD 4.16Å; P413-M415 WeakPolarHBondContact O-CG 3.46Å; P413-M415 PolarHBondContact O-N 2.95Å; M415-F417 HydrophobicContact CB-CD1 3.62Å; M415-F417 HydrophobicContact CB-CD2 3.71Å; M415-F417 HydrophobicContact CB-CE1 3.35Å; M415-F417 HydrophobicContact CB-CE2 3.42Å; M415-F417 VanDerWaalsContact CB-CE2 3.42Å; M415-F417 HydrophobicContact CB-CG 3.81Å; M415-F417 HydrophobicContact CB-CZ 3.25Å; M415-F417 HydrophobicContact CE-CE1 4.11Å; M415-F417 HydrophobicContact CE-CZ 3.93Å; M415-F417 HydrophobicContact CG-CD2 4.4Å; M415-F417 HydrophobicContact CG-CE1 4.07Å; M415-F417 HydrophobicContact CG-CE2 3.68Å; M415-F417 HydrophobicContact CG-CZ 3.5Å; M415-F417 VanDerWaalsContact CG-CZ 3.5Å; M415-F417 PolarHBondContact O-N 2.62Å
416	G	77.8	Confident	88.8	Confident	26 Å²	26	41.9 Å²	41.9	27%	0.268	23%	0.234	S	C	.	.			trans	64.1	20.9	178.9	0	0	0	0	0	114.8	H418 S419	G416-H418 PolarHBondContact O-N 2.88Å; G416-S419 WeakPolarHBondContact O-CB 3.25Å; G416-S419 PolarHBondContact O-N 2.64Å; G416-S419 VanDerWaalsContact O-N 3.1Å; G416-S419 PolarHBondContact O-OG 2.83Å
417	F	78.5	Confident	88.3	Confident	49 Å²	49	52.4 Å²	52.4	22%	0.215	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.1	-29.4	-175.8	-62.6	-34.4	0	0	0	113.9	M415 S419 Q465 L502 T503	M415-F417 HydrophobicContact CB-CD1 3.62Å; M415-F417 HydrophobicContact CB-CD2 3.71Å; M415-F417 HydrophobicContact CB-CE1 3.35Å; M415-F417 HydrophobicContact CB-CE2 3.42Å; M415-F417 VanDerWaalsContact CB-CE2 3.42Å; M415-F417 HydrophobicContact CB-CG 3.81Å; M415-F417 HydrophobicContact CB-CZ 3.25Å; M415-F417 HydrophobicContact CE-CE1 4.11Å; M415-F417 HydrophobicContact CE-CZ 3.93Å; M415-F417 HydrophobicContact CG-CD2 4.4Å; M415-F417 HydrophobicContact CG-CE1 4.07Å; M415-F417 HydrophobicContact CG-CE2 3.68Å; M415-F417 HydrophobicContact CG-CZ 3.5Å; M415-F417 VanDerWaalsContact CG-CZ 3.5Å; M415-F417 PolarHBondContact O-N 2.62Å; F417-S419 PolarHBondContact O-N 3.41Å; F417-Q465 HydrophobicContact CB-CG 3.95Å; F417-Q465 PolarHBondContact O-NE2 2.81Å; F417-L502 HydrophobicContact CE2-CB 3.97Å; F417-L502 HydrophobicContact CE2-CD1 4.46Å; F417-L502 HydrophobicContact CZ-CB 4.21Å; F417-L502 HydrophobicContact CZ-CD1 4.32Å; F417-T503 HydrophobicContact CB-CG2 3.67Å; F417-T503 HydrophobicContact CD1-CG2 3.31Å; F417-T503 HydrophobicContact CD2-CG2 3.75Å; F417-T503 HydrophobicContact CE1-CG2 3.71Å; F417-T503 HydrophobicContact CE2-CG2 4.13Å; F417-T503 HydrophobicContact CG-CG2 3.32Å; F417-T503 HydrophobicContact CZ-CG2 4.1Å
418	H	75.8	Confident	87.8	Confident	125 Å²	125	55.6 Å²	55.6	58%	0.579	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.6	-14.3	177.4	61.4	-95.9	0	0	0	114.3	G416 R420 L466	G416-H418 PolarHBondContact O-N 2.88Å; H418-R420 VanDerWaalsContact C-N 3.27Å; H418-R420 PolarHBondContact O-N 3.2Å; H418-L466 HydrophobicContact CB-CD2 4.46Å
419	S	82.4	Confident	87.5	Confident	67 Å²	67	60.5 Å²	60.5	47%	0.469	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-76.2	-14.3	-175.5	62.9	0	0	0	0	114.2	G416 F417	G416-S419 WeakPolarHBondContact O-CB 3.25Å; G416-S419 PolarHBondContact O-N 2.64Å; G416-S419 VanDerWaalsContact O-N 3.1Å; G416-S419 PolarHBondContact O-OG 2.83Å; F417-S419 PolarHBondContact O-N 3.41Å
420	R	85.5	Confident	87.3	Confident	162 Å²	162	61.9 Å²	61.9	61%	0.611	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-111.2	-0	-177.2	-63.5	-173.2	-178.6	171.2	-1.4	114.3	H418 V436 L437	H418-R420 VanDerWaalsContact C-N 3.27Å; H418-R420 PolarHBondContact O-N 3.2Å; R420-V436 WeakPolarHBondContact O-CA 3.07Å; R420-L437 PolarHBondContact O-N 2.96Å
421	L	92.4	Very high	87.2	Confident	4 Å²	4	63 Å²	63	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140	-177.3	-168.1	150.2	0	0	0	108.9	V434 E435 V436 V462 L466 L504	L421-V434 HydrophobicContact CD1-CG1 4.14Å; L421-V434 HydrophobicContact CD2-CG1 4.28Å; L421-V434 HydrophobicContact CG-CG1 4.23Å; L421-E435 CarbonylContact C-O 3.53Å; L421-E435 WeakPolarHBondContact CA-O 3.42Å; L421-V436 HydrophobicContact CD1-CG1 4.18Å; L421-V436 HydrophobicContact CG-CG1 4.35Å; L421-V462 HydrophobicContact CD1-CG2 4.28Å; L421-V462 HydrophobicContact CD2-CG1 3.82Å; L421-L466 HydrophobicContact CD2-CD1 3.61Å; L421-L466 HydrophobicContact CD2-CD2 3.71Å; L421-L466 HydrophobicContact CD2-CG 3.68Å; L421-L466 WeakPolarHBondContact O-CD2 3.39Å; L421-L504 HydrophobicContact CD1-CB 3.92Å; L421-L504 HydrophobicContact CD1-CD2 3.81Å
422	R	92.3	Very high	87.2	Confident	81 Å²	81	62.1 Å²	62.1	31%	0.306	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.3	173.9	70.3	-176.4	-175.9	179.9	1.2	111.9	E435 W446	R422-E435 HydrophobicContact CG-CB 3.97Å; R422-E435 IonicContact CZ-OE2 2.67Å; R422-E435 PolarHBondContact N-O 3.22Å; R422-E435 IonicContact NE-OE2 3.82Å; R422-E435 PolarHBondContact NE-OE2 2.92Å; R422-E435 IonicContact NH2-OE2 3.27Å; R422-E435 PolarHBondContact NH2-OE2 3Å; R422-E435 PolarHBondContact O-N 3.15Å; R422-W446 HydrophobicContact CB-CH2 4.17Å; R422-W446 HydrophobicContact CB-CZ3 4.24Å; R422-W446 HydrophobicContact CG-CE3 4.04Å; R422-W446 HydrophobicContact CG-CH2 3.92Å; R422-W446 HydrophobicContact CG-CZ2 4.49Å; R422-W446 HydrophobicContact CG-CZ3 3.67Å
423	L	92.3	Very high	87.3	Confident	36 Å²	36	60.4 Å²	60.4	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.1	165.9	-54.6	-175.6	0	0	0	109.8	R433 V434 V462 L466 L468 V527	L423-R433 WeakPolarHBondContact CA-O 3.03Å; L423-V434 HydrophobicContact CD2-CG2 4.11Å; L423-V462 HydrophobicContact CD2-CG1 4.17Å; L423-L466 HydrophobicContact CD1-CD1 4.06Å; L423-L466 HydrophobicContact CD2-CD1 3.85Å; L423-L466 HydrophobicContact CG-CD1 3.56Å; L423-L468 HydrophobicContact CD1-CD1 3.67Å; L423-V527 HydrophobicContact CD1-CG2 3.99Å; L423-V527 HydrophobicContact CD2-CG2 3.48Å; L423-V527 VanDerWaalsContact CD2-CG2 3.48Å; L423-V527 HydrophobicContact CG-CG2 4.4Å
424	S	91	Very high	87.4	Confident	22 Å²	22	60.1 Å²	60.1	15%	0.154	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.9	-176.1	-172.7	0	0	0	0	110.9	G426 G432 R433 E435	S424-G426 VanDerWaalsContact C-N 3.29Å; S424-G426 PolarHBondContact O-N 3.08Å; S424-G432 WeakPolarHBondContact O-CA 3.4Å; S424-R433 PolarHBondContact N-O 2.98Å; S424-R433 PolarHBondContact O-N 2.83Å; S424-E435 VanDerWaalsContact CB-CD 3.42Å; S424-E435 WeakPolarHBondContact CB-OE1 3.38Å; S424-E435 PolarHBondContact OG-OE1 2.88Å; S424-E435 VanDerWaalsContact OG-OE1 3.14Å
425	G	87.3	Confident	87.7	Confident	30 Å²	30	56.1 Å²	56.1	31%	0.309	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-1.1	173.4	0	0	0	0	0	118.1	W481 E482	G425-W481 WeakPolarHBondContact O-CB 3.49Å; G425-E482 WeakPolarHBondContact CA-O 3.38Å
426	G	87.3	Confident	88.2	Confident	27 Å²	27	55.3 Å²	55.3	28%	0.278	28%	0.279	S	S	.	.			trans	-63.9	157.2	174.1	0	0	0	0	0	113.7	S424 N428 E431	S424-G426 VanDerWaalsContact C-N 3.29Å; S424-G426 PolarHBondContact O-N 3.08Å; G426-N428 PolarHBondContact O-N 3.35Å; G426-E431 WeakPolarHBondContact CA-O 3.25Å
427	R	86.3	Confident	88.8	Confident	220 Å²	220	56.1 Å²	56.1	83%	0.83	28%	0.277	S	S	*	.	S	Bend	trans	-71.7	-19.9	176.8	-59.3	176.1	179.1	178.9	1.8	112.4	E431	R427-E431 VanDerWaalsContact CB-OE1 3.26Å; R427-E431 WeakPolarHBondContact CB-OE1 3.49Å; R427-E431 WeakPolarHBondContact CG-OE1 3.06Å; R427-E431 PolarHBondContact N-OE1 3.07Å
428	N	86.1	Confident	89.1	Confident	69 Å²	69	55.4 Å²	55.4	37%	0.369	28%	0.28	S	S	.	.	S	Bend	trans	-145.8	168.4	178.5	68.1	65.5	0	0	0	110	G426 Y430 E431	G426-N428 PolarHBondContact O-N 3.35Å; N428-Y430 PolarHBondContact O-N 2.85Å; N428-Y430 VanDerWaalsContact O-N 3.1Å; N428-Y430 WeakPolarHBondContact OD1-CA 3.43Å; N428-Y430 VanDerWaalsContact OD1-CB 3.32Å; N428-Y430 WeakPolarHBondContact OD1-CB 3.32Å; N428-Y430 PolarHBondContact OD1-N 3.01Å; N428-E431 PolarHBondContact O-N 3.42Å; N428-E431 PolarHBondContact OD1-N 3.01Å
429	P	89.6	Confident	89.4	Confident	103 Å²	103	56.5 Å²	56.5	67%	0.669	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-9	-176.8	-23.9	35.7	0	0	0	116.4
430	Y	90.8	Very high	89.3	Confident	91 Å²	91	59.8 Å²	59.8	36%	0.357	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.5	-177.7	-62.3	-86.3	0	0	0	113.4	N428 L468 S528 C529	N428-Y430 PolarHBondContact O-N 2.85Å; N428-Y430 VanDerWaalsContact O-N 3.1Å; N428-Y430 WeakPolarHBondContact OD1-CA 3.43Å; N428-Y430 VanDerWaalsContact OD1-CB 3.32Å; N428-Y430 WeakPolarHBondContact OD1-CB 3.32Å; N428-Y430 PolarHBondContact OD1-N 3.01Å; Y430-L468 HydrophobicContact CD1-CB 4.13Å; Y430-L468 HydrophobicContact CD1-CD2 3.99Å; Y430-L468 HydrophobicContact CE1-CD2 4.03Å; Y430-S528 CarbonylContact O-C 3.5Å; Y430-S528 WeakPolarHBondContact O-CA 3.41Å; Y430-C529 WeakPolarHBondContact CB-O 3.47Å; Y430-C529 WeakPolarHBondContact O-CB 3.47Å; Y430-C529 PolarHBondContact O-N 3.15Å
431	E	93.1	Very high	89.1	Confident	30 Å²	30	59.9 Å²	59.9	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.5	177.8	65.4	175.7	-152.5	0	0	111.7	G426 R427 N428 W481 V527	G426-E431 WeakPolarHBondContact CA-O 3.25Å; R427-E431 VanDerWaalsContact CB-OE1 3.26Å; R427-E431 WeakPolarHBondContact CB-OE1 3.49Å; R427-E431 WeakPolarHBondContact CG-OE1 3.06Å; R427-E431 PolarHBondContact N-OE1 3.07Å; N428-E431 PolarHBondContact O-N 3.42Å; N428-E431 PolarHBondContact OD1-N 3.01Å; E431-W481 HydrophobicContact CB-CZ2 4.17Å; E431-W481 HydrophobicContact CG-CZ2 4.4Å; E431-V527 CarbonylContact C-O 3.52Å; E431-V527 VanDerWaalsContact CA-O 3.25Å; E431-V527 WeakPolarHBondContact CA-O 3.32Å
432	G	92.9	Very high	88.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-179.5	170.8	0	0	0	0	0	113.5	S424 W481 G526 V527	S424-G432 WeakPolarHBondContact O-CA 3.4Å; G432-W481 VanDerWaalsContact C-CE3 3.45Å; G432-W481 WeakPolarHBondContact O-CZ3 3.34Å; G432-G526 WeakPolarHBondContact O-CA 2.86Å; G432-V527 PolarHBondContact N-O 3.09Å; G432-V527 PolarHBondContact O-N 3.24Å; G432-V527 VanDerWaalsContact O-N 3.07Å
433	R	92.5	Very high	88.3	Confident	8 Å²	8	62.2 Å²	62.2	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.4	173.3	-177.3	175	64.3	-145.3	15.9	109.9	L423 S424 E435 W481 D484 A524	L423-R433 WeakPolarHBondContact CA-O 3.03Å; S424-R433 PolarHBondContact N-O 2.98Å; S424-R433 PolarHBondContact O-N 2.83Å; R433-E435 IonicContact CZ-OE1 3.87Å; R433-E435 IonicContact NE-OE1 3.71Å; R433-E435 PolarHBondContact NE-OE1 2.62Å; R433-E435 IonicContact NH2-OE1 2.91Å; R433-E435 PolarHBondContact NH2-OE1 3.04Å; R433-E435 PolarHBondContact O-N 3.36Å; R433-W481 HydrophobicContact CB-CE3 4.44Å; R433-D484 PolarHBondContact NH2-O 3.43Å; R433-A524 HydrophobicContact CG-CB 3.7Å
434	V	93.8	Very high	88.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.2	177.8	-176	0	0	0	0	109.4	L421 L423 V449 W454 V462 L504 A525 V527	L421-V434 HydrophobicContact CD1-CG1 4.14Å; L421-V434 HydrophobicContact CD2-CG1 4.28Å; L421-V434 HydrophobicContact CG-CG1 4.23Å; L423-V434 HydrophobicContact CD2-CG2 4.11Å; V434-V449 HydrophobicContact CB-CG2 4.43Å; V434-V449 HydrophobicContact CG1-CG2 3.93Å; V434-V449 PolarHBondContact O-N 3.48Å; V434-W454 HydrophobicContact CG2-CZ2 4.06Å; V434-V462 HydrophobicContact CG1-CG1 4.45Å; V434-V462 HydrophobicContact CG1-CG2 4.25Å; V434-V462 HydrophobicContact CG2-CG1 4.16Å; V434-V462 HydrophobicContact CG2-CG2 4.47Å; V434-L504 HydrophobicContact CG1-CD2 4.36Å; V434-A525 PolarHBondContact N-O 2.97Å; V434-V527 HydrophobicContact CG2-CB 4.48Å; V434-V527 HydrophobicContact CG2-CG1 3.81Å; V434-V527 HydrophobicContact CG2-CG2 4.06Å
435	E	92.4	Very high	88	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.9	176.5	-64.3	179.8	-178.6	0	0	110.3	L421 R422 S424 R433 W446 G447 A487	L421-E435 CarbonylContact C-O 3.53Å; L421-E435 WeakPolarHBondContact CA-O 3.42Å; R422-E435 HydrophobicContact CG-CB 3.97Å; R422-E435 IonicContact CZ-OE2 2.67Å; R422-E435 PolarHBondContact N-O 3.22Å; R422-E435 IonicContact NE-OE2 3.82Å; R422-E435 PolarHBondContact NE-OE2 2.92Å; R422-E435 IonicContact NH2-OE2 3.27Å; R422-E435 PolarHBondContact NH2-OE2 3Å; R422-E435 PolarHBondContact O-N 3.15Å; S424-E435 VanDerWaalsContact CB-CD 3.42Å; S424-E435 WeakPolarHBondContact CB-OE1 3.38Å; S424-E435 PolarHBondContact OG-OE1 2.88Å; S424-E435 VanDerWaalsContact OG-OE1 3.14Å; R433-E435 IonicContact CZ-OE1 3.87Å; R433-E435 IonicContact NE-OE1 3.71Å; R433-E435 PolarHBondContact NE-OE1 2.62Å; R433-E435 IonicContact NH2-OE1 2.91Å; R433-E435 PolarHBondContact NH2-OE1 3.04Å; R433-E435 PolarHBondContact O-N 3.36Å; E435-W446 HydrophobicContact CB-CE3 4.02Å; E435-W446 WeakPolarHBondContact O-CZ3 3.04Å; E435-G447 CarbonylContact C-O 3.52Å; E435-G447 VanDerWaalsContact CA-O 3.28Å; E435-G447 WeakPolarHBondContact CA-O 3.21Å; E435-A487 HydrophobicContact CG-CB 4.25Å
436	V	92.1	Very high	88.2	Confident	12 Å²	12	69.3 Å²	69.3	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.3	179.4	-65	0	0	0	0	110.9	R420 L421 W446 G447 V449 L491 M492 L504	R420-V436 WeakPolarHBondContact O-CA 3.07Å; L421-V436 HydrophobicContact CD1-CG1 4.18Å; L421-V436 HydrophobicContact CG-CG1 4.35Å; V436-W446 VanDerWaalsContact C-CE3 3.46Å; V436-G447 PolarHBondContact N-O 3.26Å; V436-G447 PolarHBondContact O-N 3.41Å; V436-V449 HydrophobicContact CG1-CG2 3.7Å; V436-V449 HydrophobicContact CG2-CG2 4.14Å; V436-L491 HydrophobicContact CG2-CB 4.1Å; V436-M492 HydrophobicContact CG2-CB 4.24Å; V436-L504 HydrophobicContact CG1-CD2 4.35Å
437	L	89.8	Confident	88.4	Confident	43 Å²	43	68 Å²	68	23%	0.225	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.5	177.7	-172.2	65.1	0	0	0	109.7	R420 L444 W446	R420-L437 PolarHBondContact O-N 2.96Å; L437-L444 HydrophobicContact CD1-CB 3.97Å; L437-L444 HydrophobicContact CD2-CD1 4.36Å; L437-L444 HydrophobicContact CG-CB 4.3Å; L437-L444 HydrophobicContact CG-CD2 4.49Å; L437-W446 HydrophobicContact CB-CD2 4.2Å; L437-W446 HydrophobicContact CB-CE3 3.98Å; L437-W446 HydrophobicContact CB-CH2 3.9Å; L437-W446 HydrophobicContact CB-CZ2 4.11Å; L437-W446 HydrophobicContact CB-CZ3 3.83Å; L437-W446 HydrophobicContact CD1-CD2 3.92Å; L437-W446 HydrophobicContact CD1-CG 4.06Å; L437-W446 HydrophobicContact CD1-CZ2 4.28Å; L437-W446 HydrophobicContact CD2-CZ2 4.3Å; L437-W446 HydrophobicContact CG-CZ2 4.47Å
438	A	85.5	Confident	88.6	Confident	34 Å²	34	57.5 Å²	57.5	28%	0.281	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160.5	177.7	0	0	0	0	0	112.1	V445 L491	A438-V445 PolarHBondContact N-O 3.47Å; A438-V445 PolarHBondContact O-N 3.44Å; A438-L491 HydrophobicContact CB-CB 4.5Å; A438-L491 HydrophobicContact CB-CD1 4.08Å
439	E	82.9	Confident	88.9	Confident	148 Å²	148	54.2 Å²	54.2	69%	0.692	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.2	177.5	-169	179.4	175.3	0	0	110.5	L444	E439-L444 HydrophobicContact CB-CD2 4.2Å
440	R	78.8	Confident	89	Confident	135 Å²	135	49.4 Å²	49.4	51%	0.509	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.5	174.8	-162.6	175	-177.1	176.9	1.4	108.9	G442 S443 V445	R440-G442 PolarHBondContact O-N 3.1Å; R440-S443 PolarHBondContact N-O 2.81Å; R440-S443 PolarHBondContact O-N 2.77Å; R440-S443 VanDerWaalsContact O-N 3.11Å; R440-S443 VanDerWaalsContact O-O 3.06Å; R440-V445 HydrophobicContact CB-CG2 3.59Å
441	N	81.3	Confident	89	Confident	164 Å²	164	45.4 Å²	45.4	88%	0.877	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.2	-178.6	-59.8	-11.9	0	0	0	114.1	S443	N441-S443 VanDerWaalsContact C-N 3.29Å; N441-S443 PolarHBondContact O-N 3.45Å
442	G	82.3	Confident	88.8	Confident	59 Å²	59	47.1 Å²	47.1	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	6.6	178.6	0	0	0	0	0	115.3	R440	R440-G442 PolarHBondContact O-N 3.1Å
443	S	86.3	Confident	88.5	Confident	75 Å²	75	51 Å²	51	52%	0.524	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.2	173.5	-64.3	0	0	0	0	110.8	R440 N441	R440-S443 PolarHBondContact N-O 2.81Å; R440-S443 PolarHBondContact O-N 2.77Å; R440-S443 VanDerWaalsContact O-N 3.11Å; R440-S443 VanDerWaalsContact O-O 3.06Å; N441-S443 VanDerWaalsContact C-N 3.29Å; N441-S443 PolarHBondContact O-N 3.45Å
444	L	87.9	Confident	88.5	Confident	122 Å²	122	50.8 Å²	50.8	64%	0.639	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.9	173.9	-68	173.5	0	0	0	109.4	L437 E439	L437-L444 HydrophobicContact CD1-CB 3.97Å; L437-L444 HydrophobicContact CD2-CD1 4.36Å; L437-L444 HydrophobicContact CG-CB 4.3Å; L437-L444 HydrophobicContact CG-CD2 4.49Å; E439-L444 HydrophobicContact CB-CD2 4.2Å
445	V	90.2	Very high	88.4	Confident	51 Å²	51	51.9 Å²	51.9	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.6	-179.6	-63	0	0	0	0	110.1	A438 R440 L491	A438-V445 PolarHBondContact N-O 3.47Å; A438-V445 PolarHBondContact O-N 3.44Å; R440-V445 HydrophobicContact CB-CG2 3.59Å; V445-L491 HydrophobicContact CG2-CD1 4.14Å
446	W	91.3	Very high	88.5	Confident	64 Å²	64	52.4 Å²	52.4	24%	0.242	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.3	170.3	-72.5	100.9	0	0	0	109.7	R422 E435 V436 L437 A487	R422-W446 HydrophobicContact CB-CH2 4.17Å; R422-W446 HydrophobicContact CB-CZ3 4.24Å; R422-W446 HydrophobicContact CG-CE3 4.04Å; R422-W446 HydrophobicContact CG-CH2 3.92Å; R422-W446 HydrophobicContact CG-CZ2 4.49Å; R422-W446 HydrophobicContact CG-CZ3 3.67Å; E435-W446 HydrophobicContact CB-CE3 4.02Å; E435-W446 WeakPolarHBondContact O-CZ3 3.04Å; V436-W446 VanDerWaalsContact C-CE3 3.46Å; L437-W446 HydrophobicContact CB-CD2 4.2Å; L437-W446 HydrophobicContact CB-CE3 3.98Å; L437-W446 HydrophobicContact CB-CH2 3.9Å; L437-W446 HydrophobicContact CB-CZ2 4.11Å; L437-W446 HydrophobicContact CB-CZ3 3.83Å; L437-W446 HydrophobicContact CD1-CD2 3.92Å; L437-W446 HydrophobicContact CD1-CG 4.06Å; L437-W446 HydrophobicContact CD1-CZ2 4.28Å; L437-W446 HydrophobicContact CD2-CZ2 4.3Å; L437-W446 HydrophobicContact CG-CZ2 4.47Å; W446-A487 HydrophobicContact CB-CB 4.05Å
447	G	90.5	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	170.5	172.5	0	0	0	0	0	112.5	E435 V436 A487 S489 L491	E435-G447 CarbonylContact C-O 3.52Å; E435-G447 VanDerWaalsContact CA-O 3.28Å; E435-G447 WeakPolarHBondContact CA-O 3.21Å; V436-G447 PolarHBondContact N-O 3.26Å; V436-G447 PolarHBondContact O-N 3.41Å; G447-A487 CarbonylContact C-O 3.5Å; G447-A487 WeakPolarHBondContact CA-O 3.27Å; G447-S489 CarbonylContact C-O 3.59Å; G447-S489 VanDerWaalsContact CA-O 3.25Å; G447-S489 WeakPolarHBondContact CA-O 3.28Å; G447-L491 VanDerWaalsContact CA-CD1 3.46Å; G447-L491 VanDerWaalsContact N-CD1 3.34Å
448	S	91.1	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	161.2	-173.3	59.8	0	0	0	0	112.7	A487 D488 S489 V490 L491	S448-A487 PolarHBondContact N-O 1.99Å; S448-D488 PolarHBondContact OG-O 3.19Å; S448-S489 PolarHBondContact N-O 3.37Å; S448-S489 PolarHBondContact OG-O 2.9Å; S448-V490 CarbonylContact O-C 3.51Å; S448-V490 WeakPolarHBondContact O-CA 3.45Å; S448-L491 PolarHBondContact O-N 3.05Å
449	V	92.4	Very high	89.3	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.8	169.5	-175.7	0	0	0	0	108.9	V434 V436 W454 M492 V495 L504 A525	V434-V449 HydrophobicContact CB-CG2 4.43Å; V434-V449 HydrophobicContact CG1-CG2 3.93Å; V434-V449 PolarHBondContact O-N 3.48Å; V436-V449 HydrophobicContact CG1-CG2 3.7Å; V436-V449 HydrophobicContact CG2-CG2 4.14Å; V449-W454 HydrophobicContact CG1-CE3 4.19Å; V449-W454 HydrophobicContact CG1-CH2 4.49Å; V449-W454 HydrophobicContact CG1-CZ3 3.74Å; V449-M492 HydrophobicContact CG1-CB 4.32Å; V449-M492 HydrophobicContact CG1-CG 4.39Å; V449-M492 HydrophobicContact CG2-CB 4.29Å; V449-V495 HydrophobicContact CG1-CG2 3.86Å; V449-L504 HydrophobicContact CG2-CD2 4.23Å; V449-A525 HydrophobicContact CB-CB 4.08Å; V449-A525 HydrophobicContact CG1-CB 4.28Å; V449-A525 PolarHBondContact O-N 2.91Å
450	C	91.6	Very high	89.8	Confident	2 Å²	2	44 Å²	44	1%	0.014	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-61.3	134.7	175.9	-172.3	0	0	0	0	110.3	V490 M492 C516	C450-V490 HydrophobicContact CB-CG1 3.93Å; C450-M492 PolarHBondContact N-O 3Å; C450-C516 VanDerWaalsContact CA-SG 3.6Å; C450-C516 HydrophobicContact CB-CB 3.88Å; C450-C516 WeakPolarHBondContact CB-SG 3.49Å; C450-C516 VanDerWaalsContact SG-CA 3.54Å; C450-C516 WeakPolarHBondContact SG-CB 3.48Å; C450-C516 CovalentContact SG-SG 2.03Å; C450-C516 PolarHBondContact SG-SG 2.87Å
451	S	90.7	Very high	90.5	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.049	23%	0.23	C	C	.	.			trans	-85.7	-6.3	177.9	51.4	0	0	0	0	114.7	S453 W454 Q476 F523	S451-S453 PolarHBondContact O-N 2.81Å; S451-W454 WeakPolarHBondContact O-CB 3.3Å; S451-W454 PolarHBondContact O-N 2.78Å; S451-Q476 WeakPolarHBondContact CB-O 3.47Å; S451-Q476 WeakPolarHBondContact O-CG 2.89Å; S451-Q476 PolarHBondContact OG-O 2.92Å; S451-F523 PolarHBondContact OG-O 2.71Å
452	D	88.3	Confident	91.2	Very high	65 Å²	65	29.8 Å²	29.8	35%	0.348	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	122.2	179.1	-168.2	14.5	0	0	0	110.6	W454	D452-W454 PolarHBondContact O-N 2.68Å
453	S	86.9	Confident	91.8	Very high	81 Å²	81	27 Å²	27	57%	0.566	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	19.7	-173.4	-51.5	0	0	0	0	115.4	S451 G455	S451-S453 PolarHBondContact O-N 2.81Å; S453-G455 PolarHBondContact O-N 2.76Å
454	W	92	Very high	92	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.019	14%	0.141	C	C	.	.			trans	-72	122.9	176.2	-174.9	-96.9	0	0	0	111.1	V434 V449 S451 D452 E458 V462 Q476 V495 L504 A525 G526 V527	V434-W454 HydrophobicContact CG2-CZ2 4.06Å; V449-W454 HydrophobicContact CG1-CE3 4.19Å; V449-W454 HydrophobicContact CG1-CH2 4.49Å; V449-W454 HydrophobicContact CG1-CZ3 3.74Å; S451-W454 WeakPolarHBondContact O-CB 3.3Å; S451-W454 PolarHBondContact O-N 2.78Å; D452-W454 PolarHBondContact O-N 2.68Å; W454-E458 HydrophobicContact CD2-CB 3.88Å; W454-E458 HydrophobicContact CD2-CG 4.39Å; W454-E458 HydrophobicContact CE3-CB 3.7Å; W454-E458 HydrophobicContact CE3-CG 3.9Å; W454-E458 HydrophobicContact CH2-CB 3.7Å; W454-E458 HydrophobicContact CZ2-CB 3.87Å; W454-E458 HydrophobicContact CZ3-CB 3.61Å; W454-E458 HydrophobicContact CZ3-CG 3.99Å; W454-V462 HydrophobicContact CH2-CG2 3.76Å; W454-V462 HydrophobicContact CZ2-CG2 3.95Å; W454-Q476 HydrophobicContact CB-CG 4.26Å; W454-Q476 WeakPolarHBondContact O-CG 3Å; W454-Q476 PolarHBondContact O-NE2 2.96Å; W454-V495 HydrophobicContact CZ3-CB 4.23Å; W454-V495 HydrophobicContact CZ3-CG1 4.3Å; W454-V495 HydrophobicContact CZ3-CG2 4.48Å; W454-L504 HydrophobicContact CH2-CD1 3.98Å; W454-L504 HydrophobicContact CH2-CD2 4.07Å; W454-L504 HydrophobicContact CZ3-CD1 4.21Å; W454-L504 HydrophobicContact CZ3-CD2 4.36Å; W454-A525 HydrophobicContact CB-CB 4.35Å; W454-A525 HydrophobicContact CD2-CB 3.42Å; W454-A525 VanDerWaalsContact CD2-CB 3.42Å; W454-A525 HydrophobicContact CE3-CB 3.7Å; W454-A525 HydrophobicContact CG-CB 3.71Å; W454-A525 HydrophobicContact CH2-CB 4.36Å; W454-A525 HydrophobicContact CZ2-CB 4.13Å; W454-A525 HydrophobicContact CZ3-CB 4.16Å; W454-G526 PolarHBondContact NE1-O 2.97Å; W454-V527 HydrophobicContact CZ2-CG1 3.8Å
455	G	93.3	Very high	92.2	Very high	23 Å²	23	20.3 Å²	20.3	24%	0.237	11%	0.114	C	C	.	.			trans	-134.6	-168.8	-175.9	0	0	0	0	0	114	S453 M457 E458 A459 A474	S453-G455 PolarHBondContact O-N 2.76Å; G455-M457 VanDerWaalsContact C-N 3.33Å; G455-M457 PolarHBondContact O-N 3.49Å; G455-E458 WeakPolarHBondContact CA-OE2 3.45Å; G455-E458 PolarHBondContact N-OE2 2.84Å; G455-E458 PolarHBondContact O-N 3.07Å; G455-A459 PolarHBondContact O-N 3.24Å; G455-A474 WeakPolarHBondContact O-CB 3.49Å
456	T	93.5	Very high	92.2	Very high	10 Å²	10	19.6 Å²	19.6	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-36.4	-175.2	-56.2	0	0	0	0	112.1	E458 A459 V460 F703 A706 F710	T456-E458 PolarHBondContact O-N 3.05Å; T456-A459 WeakPolarHBondContact O-CB 3.37Å; T456-A459 PolarHBondContact O-N 3.38Å; T456-V460 HydrophobicContact CG2-CG2 4.48Å; T456-V460 WeakPolarHBondContact O-CG2 3.38Å; T456-V460 PolarHBondContact O-N 3.2Å; T456-F703 VanDerWaalsContact CB-O 3.24Å; T456-F703 WeakPolarHBondContact CB-O 3.49Å; T456-F703 PolarHBondContact OG1-O 3.48Å; T456-A706 HydrophobicContact CG2-CB 3.8Å; T456-F710 HydrophobicContact CG2-CZ 4.27Å
457	M	92.9	Very high	92.2	Very high	26 Å²	26	18.6 Å²	18.6	13%	0.128	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-39.7	-179.7	-69	-61.7	168.4	0	0	112.7	G455 V460 V461 F703 F710	G455-M457 VanDerWaalsContact C-N 3.33Å; G455-M457 PolarHBondContact O-N 3.49Å; M457-V460 PolarHBondContact O-N 3.42Å; M457-V461 PolarHBondContact O-N 3.27Å; M457-F703 HydrophobicContact CE-CB 4.18Å; M457-F703 HydrophobicContact CE-CD1 3.19Å; M457-F703 HydrophobicContact CE-CD2 3.82Å; M457-F703 HydrophobicContact CE-CE1 3.32Å; M457-F703 HydrophobicContact CE-CE2 3.93Å; M457-F703 HydrophobicContact CE-CG 3.44Å; M457-F703 VanDerWaalsContact CE-CG 3.44Å; M457-F703 HydrophobicContact CE-CZ 3.69Å; M457-F703 HydrophobicContact CG-CD2 4.31Å; M457-F710 HydrophobicContact CE-CB 4.21Å; M457-F710 HydrophobicContact CE-CD1 4.43Å; M457-F710 HydrophobicContact CE-CD2 3.35Å; M457-F710 HydrophobicContact CE-CE2 3.64Å; M457-F710 HydrophobicContact CE-CG 3.77Å; M457-F710 HydrophobicContact CE-CZ 4.28Å; M457-F710 HydrophobicContact SD-CD2 4.29Å; M457-F710 HydrophobicContact SD-CE2 4.39Å
458	E	95.4	Very high	92.1	Very high	13 Å²	13	20 Å²	20	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-42	173	-66.2	65.2	-134.1	0	0	110.8	W454 G455 T456 V460 V461 V462 V495 R496 C497	W454-E458 HydrophobicContact CD2-CB 3.88Å; W454-E458 HydrophobicContact CD2-CG 4.39Å; W454-E458 HydrophobicContact CE3-CB 3.7Å; W454-E458 HydrophobicContact CE3-CG 3.9Å; W454-E458 HydrophobicContact CH2-CB 3.7Å; W454-E458 HydrophobicContact CZ2-CB 3.87Å; W454-E458 HydrophobicContact CZ3-CB 3.61Å; W454-E458 HydrophobicContact CZ3-CG 3.99Å; G455-E458 WeakPolarHBondContact CA-OE2 3.45Å; G455-E458 PolarHBondContact N-OE2 2.84Å; G455-E458 PolarHBondContact O-N 3.07Å; T456-E458 PolarHBondContact O-N 3.05Å; E458-V460 VanDerWaalsContact C-N 3.33Å; E458-V460 PolarHBondContact O-N 3.38Å; E458-V461 PolarHBondContact O-N 3.49Å; E458-V462 WeakPolarHBondContact O-CG2 3.31Å; E458-V462 PolarHBondContact O-N 3.18Å; E458-V495 HydrophobicContact CG-CB 4.35Å; E458-V495 HydrophobicContact CG-CG1 3.94Å; E458-R496 VanDerWaalsContact OE1-CA 3.32Å; E458-R496 WeakPolarHBondContact OE1-CA 3.34Å; E458-C497 HydrophobicContact CG-CB 4.34Å; E458-C497 PolarHBondContact OE1-N 3.22Å
459	A	95.8	Very high	92.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-38.9	177.4	0	0	0	0	0	112.6	G455 T456 V461 V462 C463 A471 A474 V527	G455-A459 PolarHBondContact O-N 3.24Å; T456-A459 WeakPolarHBondContact O-CB 3.37Å; T456-A459 PolarHBondContact O-N 3.38Å; A459-V461 VanDerWaalsContact C-N 3.32Å; A459-V461 PolarHBondContact O-N 2.97Å; A459-V462 PolarHBondContact O-N 3.19Å; A459-C463 WeakPolarHBondContact O-CB 3.28Å; A459-C463 PolarHBondContact O-N 3.02Å; A459-C463 PolarHBondContact O-SG 3.42Å; A459-A471 HydrophobicContact CB-CB 3.73Å; A459-A474 HydrophobicContact CB-CB 3.89Å; A459-V527 HydrophobicContact CB-CB 4.26Å; A459-V527 HydrophobicContact CB-CG1 3.6Å
460	V	93.7	Very high	92.1	Very high	23 Å²	23	20.8 Å²	20.8	14%	0.139	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-45.7	175.5	166.4	0	0	0	0	110.4	T456 M457 E458 V462 R464 A471	T456-V460 HydrophobicContact CG2-CG2 4.48Å; T456-V460 WeakPolarHBondContact O-CG2 3.38Å; T456-V460 PolarHBondContact O-N 3.2Å; M457-V460 PolarHBondContact O-N 3.42Å; E458-V460 VanDerWaalsContact C-N 3.33Å; E458-V460 PolarHBondContact O-N 3.38Å; V460-V462 PolarHBondContact O-N 2.96Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 PolarHBondContact O-N 3.21Å; V460-A471 HydrophobicContact CB-CB 4.48Å; V460-A471 HydrophobicContact CG2-CB 3.78Å
461	V	93.8	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-42.6	177.6	175.9	0	0	0	0	111.1	M457 E458 A459 Q465 C497 E501 L504	M457-V461 PolarHBondContact O-N 3.27Å; E458-V461 PolarHBondContact O-N 3.49Å; A459-V461 VanDerWaalsContact C-N 3.32Å; A459-V461 PolarHBondContact O-N 2.97Å; V461-Q465 WeakPolarHBondContact O-CB 3.06Å; V461-Q465 PolarHBondContact O-N 3.1Å; V461-C497 HydrophobicContact CG2-CB 3.86Å; V461-E501 HydrophobicContact CG1-CB 4.23Å; V461-E501 HydrophobicContact CG2-CB 4.16Å; V461-L504 HydrophobicContact CG1-CD1 4.47Å
462	V	95.6	Very high	92.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-51.7	178.7	172.6	0	0	0	0	112.2	L421 L423 V434 W454 E458 A459 V460 R464 Q465 L466 L504 V527	L421-V462 HydrophobicContact CD1-CG2 4.28Å; L421-V462 HydrophobicContact CD2-CG1 3.82Å; L423-V462 HydrophobicContact CD2-CG1 4.17Å; V434-V462 HydrophobicContact CG1-CG1 4.45Å; V434-V462 HydrophobicContact CG1-CG2 4.25Å; V434-V462 HydrophobicContact CG2-CG1 4.16Å; V434-V462 HydrophobicContact CG2-CG2 4.47Å; W454-V462 HydrophobicContact CH2-CG2 3.76Å; W454-V462 HydrophobicContact CZ2-CG2 3.95Å; E458-V462 WeakPolarHBondContact O-CG2 3.31Å; E458-V462 PolarHBondContact O-N 3.18Å; A459-V462 PolarHBondContact O-N 3.19Å; V460-V462 PolarHBondContact O-N 2.96Å; V462-R464 VanDerWaalsContact C-N 3.28Å; V462-R464 PolarHBondContact O-N 2.88Å; V462-Q465 PolarHBondContact O-N 3.38Å; V462-L466 HydrophobicContact CG1-CD1 4.1Å; V462-L466 WeakPolarHBondContact O-CG 3.33Å; V462-L466 PolarHBondContact O-N 3.21Å; V462-L504 HydrophobicContact CG2-CD1 3.91Å; V462-L504 HydrophobicContact CG2-CD2 4.08Å; V462-L504 HydrophobicContact CG2-CG 4.48Å; V462-V527 HydrophobicContact CB-CG1 4.19Å; V462-V527 HydrophobicContact CG1-CG1 4.21Å; V462-V527 HydrophobicContact CG1-CG2 3.8Å
463	C	94.4	Very high	92.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-41.3	-178.7	-70.1	0	0	0	0	111.2	A459 L466 G467 L468 G469 C529	A459-C463 WeakPolarHBondContact O-CB 3.28Å; A459-C463 PolarHBondContact O-N 3.02Å; A459-C463 PolarHBondContact O-SG 3.42Å; C463-L466 PolarHBondContact O-N 2.04Å; C463-G467 PolarHBondContact O-N 2.73Å; C463-L468 PolarHBondContact O-N 3.35Å; C463-G469 CarbonylContact C-O 3.54Å; C463-G469 WeakPolarHBondContact CB-O 3.32Å; C463-C529 WeakPolarHBondContact CA-SG 3.24Å; C463-C529 HydrophobicContact CB-CB 3.76Å; C463-C529 WeakPolarHBondContact CB-SG 3.34Å; C463-C529 VanDerWaalsContact SG-CA 3.54Å; C463-C529 WeakPolarHBondContact SG-CB 3.41Å; C463-C529 CovalentContact SG-SG 2.04Å; C463-C529 PolarHBondContact SG-SG 3.44Å
464	R	91.8	Very high	92.8	Very high	37 Å²	37	19.1 Å²	19.1	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-67.9	-43.7	175.3	-172.4	169.4	66.9	-145.2	-5.6	112.8	A318 M319 I320 V460 V462 L466 G467 G499 E501	A318-R464 WeakPolarHBondContact O-CD 3.26Å; A318-R464 WeakPolarHBondContact O-CG 3.41Å; M319-R464 WeakPolarHBondContact CE-O 3.48Å; M319-R464 HydrophobicContact SD-CG 4.36Å; I320-R464 HydrophobicContact CD1-CG 4.46Å; I320-R464 HydrophobicContact CG1-CG 4.49Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 PolarHBondContact O-N 3.21Å; V462-R464 VanDerWaalsContact C-N 3.28Å; V462-R464 PolarHBondContact O-N 2.88Å; R464-L466 PolarHBondContact O-N 2.97Å; R464-G467 PolarHBondContact O-N 3.32Å; R464-G499 VanDerWaalsContact CZ-O 3.28Å; R464-G499 PolarHBondContact NH1-O 3.41Å; R464-G499 PolarHBondContact NH2-O 2.76Å; R464-E501 PolarHBondContact NH2-O 3.28Å
465	Q	91.2	Very high	92.7	Very high	19 Å²	19	21 Å²	21	9%	0.089	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-36.8	178.2	176.8	174.8	-8.7	0	0	112	F417 V461 V462 T503	F417-Q465 HydrophobicContact CB-CG 3.95Å; F417-Q465 PolarHBondContact O-NE2 2.81Å; V461-Q465 WeakPolarHBondContact O-CB 3.06Å; V461-Q465 PolarHBondContact O-N 3.1Å; V462-Q465 PolarHBondContact O-N 3.38Å; Q465-T503 HydrophobicContact CG-CG2 4.22Å
466	L	90.5	Very high	92.5	Very high	37 Å²	37	24.7 Å²	24.7	19%	0.194	13%	0.134	C	C	.	.	H	α-helix	trans	-84.1	-9.8	179	-67.8	177.4	0	0	0	114.1	H418 L421 L423 V462 C463 R464 L468	H418-L466 HydrophobicContact CB-CD2 4.46Å; L421-L466 HydrophobicContact CD2-CD1 3.61Å; L421-L466 HydrophobicContact CD2-CD2 3.71Å; L421-L466 HydrophobicContact CD2-CG 3.68Å; L421-L466 WeakPolarHBondContact O-CD2 3.39Å; L423-L466 HydrophobicContact CD1-CD1 4.06Å; L423-L466 HydrophobicContact CD2-CD1 3.85Å; L423-L466 HydrophobicContact CG-CD1 3.56Å; V462-L466 HydrophobicContact CG1-CD1 4.1Å; V462-L466 WeakPolarHBondContact O-CG 3.33Å; V462-L466 PolarHBondContact O-N 3.21Å; C463-L466 PolarHBondContact O-N 2.04Å; R464-L466 PolarHBondContact O-N 2.97Å; L466-L468 HydrophobicContact CB-CD1 3.8Å; L466-L468 HydrophobicContact CB-CG 3.78Å; L466-L468 HydrophobicContact CD1-CD1 3.86Å
467	G	90.1	Very high	92.1	Very high	42 Å²	42	29.3 Å²	29.3	43%	0.433	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	30.6	-175.5	0	0	0	0	0	114	C463 R464	C463-G467 PolarHBondContact O-N 2.73Å; R464-G467 PolarHBondContact O-N 3.32Å
468	L	89.5	Confident	91.6	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.157	15%	0.149	C	C	.	.			trans	-102	4.3	-176.1	-61.7	177.8	0	0	0	113.6	L423 Y430 C463 L466 C529 Q531	L423-L468 HydrophobicContact CD1-CD1 3.67Å; Y430-L468 HydrophobicContact CD1-CB 4.13Å; Y430-L468 HydrophobicContact CD1-CD2 3.99Å; Y430-L468 HydrophobicContact CE1-CD2 4.03Å; C463-L468 PolarHBondContact O-N 3.35Å; L466-L468 HydrophobicContact CB-CD1 3.8Å; L466-L468 HydrophobicContact CB-CG 3.78Å; L466-L468 HydrophobicContact CD1-CD1 3.86Å; L468-C529 HydrophobicContact CB-CB 3.69Å; L468-Q531 PolarHBondContact O-NE2 2.86Å
469	G	90.6	Very high	90.7	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	18%	0.176	C	C	.	.			trans	93.6	-144.6	178.8	0	0	0	0	0	112.9	C463 T530	C463-G469 CarbonylContact C-O 3.54Å; C463-G469 WeakPolarHBondContact CB-O 3.32Å; G469-T530 CarbonylContact C-O 3.5Å; G469-T530 WeakPolarHBondContact CA-O 3.44Å
470	F	92.8	Very high	89.9	Confident	14 Å²	14	39.6 Å²	39.6	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	158.3	177.8	-58	-78.3	0	0	0	111.4	G316 A318 C529 T530 A533 S708	G316-F470 WeakPolarHBondContact O-CZ 3.26Å; A318-F470 VanDerWaalsContact CA-CZ 3.48Å; A318-F470 HydrophobicContact CB-CD1 4.04Å; A318-F470 HydrophobicContact CB-CD2 3.69Å; A318-F470 HydrophobicContact CB-CE1 3.8Å; A318-F470 HydrophobicContact CB-CE2 3.46Å; A318-F470 VanDerWaalsContact CB-CE2 3.46Å; A318-F470 HydrophobicContact CB-CG 3.98Å; A318-F470 HydrophobicContact CB-CZ 3.51Å; A318-F470 VanDerWaalsContact N-CZ 3.33Å; F470-C529 CarbonylContact O-C 3.58Å; F470-C529 VanDerWaalsContact O-CA 3.22Å; F470-C529 WeakPolarHBondContact O-CA 3.15Å; F470-T530 HydrophobicContact CB-CG2 4.17Å; F470-T530 PolarHBondContact N-O 3.44Å; F470-T530 PolarHBondContact O-N 2.65Å; F470-A533 HydrophobicContact CB-CB 3.91Å; F470-A533 HydrophobicContact CD1-CB 4.1Å; F470-A533 HydrophobicContact CD2-CB 3.83Å; F470-A533 HydrophobicContact CE2-CB 4.34Å; F470-A533 HydrophobicContact CG-CB 3.68Å; F470-S708 VanDerWaalsContact CE1-CB 3.48Å
471	A	94.4	Very high	89.3	Confident	1 Å²	1	39 Å²	39	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.2	162.1	0	0	0	0	0	109.4	A459 V460 A706	A459-A471 HydrophobicContact CB-CB 3.73Å; V460-A471 HydrophobicContact CB-CB 4.48Å; V460-A471 HydrophobicContact CG2-CB 3.78Å; A471-A706 HydrophobicContact CB-CB 4.43Å; A471-A706 WeakPolarHBondContact O-CB 3.21Å
472	S	91.6	Very high	88.3	Confident	42 Å²	42	47.7 Å²	47.7	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-45.6	165.9	-179.5	0	0	0	0	109.7	S528	S472-S528 WeakPolarHBondContact CB-O 3.39Å; S472-S528 PolarHBondContact N-O 2.99Å
473	H	91.9	Very high	86.9	Confident	75 Å²	75	49.2 Å²	49.2	35%	0.347	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.1	-177.4	-65	73.1	0	0	0	111.5	F475 V527 S528	H473-F475 HydrophobicContact CB-CD2 4.32Å; H473-F475 HydrophobicContact CB-CE1 4.16Å; H473-F475 HydrophobicContact CB-CE2 3.54Å; H473-F475 HydrophobicContact CB-CZ 3.45Å; H473-F475 VanDerWaalsContact CB-CZ 3.45Å; H473-V527 WeakPolarHBondContact O-CA 3.29Å; H473-S528 PolarHBondContact N-O 3.43Å; H473-S528 PolarHBondContact O-N 2.84Å
474	A	93.5	Very high	85.8	Confident	2 Å²	2	53.3 Å²	53.3	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.2	167.2	0	0	0	0	0	109.8	G455 A459 R599	G455-A474 WeakPolarHBondContact O-CB 3.49Å; A459-A474 HydrophobicContact CB-CB 3.89Å; A474-R599 PolarHBondContact O-NH2 2.76Å; A474-R599 VanDerWaalsContact O-NH2 3.14Å
475	F	91.4	Very high	85	Confident	45 Å²	45	55.9 Å²	55.9	20%	0.197	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	-176.8	-55.9	-86.5	0	0	0	110.6	H473 T478 Y480 W481 G526	H473-F475 HydrophobicContact CB-CD2 4.32Å; H473-F475 HydrophobicContact CB-CE1 4.16Å; H473-F475 HydrophobicContact CB-CE2 3.54Å; H473-F475 HydrophobicContact CB-CZ 3.45Å; H473-F475 VanDerWaalsContact CB-CZ 3.45Å; F475-T478 HydrophobicContact CB-CG2 4.31Å; F475-Y480 VanDerWaalsContact CD1-OH 3.23Å; F475-Y480 WeakPolarHBondContact CD1-OH 3.35Å; F475-W481 HydrophobicContact CB-CH2 4.46Å; F475-W481 AromaticContact CD2-CH2 3.42Å; F475-W481 HydrophobicContact CD2-CH2 3.42Å; F475-W481 VanDerWaalsContact CD2-CH2 3.42Å; F475-W481 HydrophobicContact CD2-CZ2 4.35Å; F475-W481 HydrophobicContact CD2-CZ3 4.17Å; F475-W481 AromaticContact CE2-CH2 3.65Å; F475-W481 HydrophobicContact CE2-CH2 3.65Å; F475-W481 HydrophobicContact CE2-CZ2 4.18Å; F475-W481 AromaticContact CG-CH2 3.95Å; F475-W481 HydrophobicContact CG-CH2 3.95Å; F475-W481 HydrophobicContact CG-CZ3 4.46Å; F475-W481 HydrophobicContact CZ-CH2 4.37Å; F475-G526 PolarHBondContact N-O 3.07Å; F475-G526 PolarHBondContact O-N 3.4Å
476	Q	89.3	Confident	84.3	Confident	100 Å²	100	58.8 Å²	58.8	47%	0.467	31%	0.313	S	S	.	.	S	Bend	trans	-93.3	-15.6	173.1	-64.7	-173.5	-1.1	0	0	112.9	S451 W454	S451-Q476 WeakPolarHBondContact CB-O 3.47Å; S451-Q476 WeakPolarHBondContact O-CG 2.89Å; S451-Q476 PolarHBondContact OG-O 2.92Å; W454-Q476 HydrophobicContact CB-CG 4.26Å; W454-Q476 WeakPolarHBondContact O-CG 3Å; W454-Q476 PolarHBondContact O-NE2 2.96Å
477	E	84.1	Confident	83.8	Confident	106 Å²	106	57 Å²	57	50%	0.495	30%	0.304	S	S	.	.			trans	-128.8	128.1	177.9	-55.3	-168.5	171	0	0	109.9	Y480 F523	E477-Y480 WeakPolarHBondContact O-CE1 3.23Å; E477-F523 HydrophobicContact CG-CD1 4.07Å; E477-F523 HydrophobicContact CG-CE1 4.49Å
478	T	82.4	Confident	83.5	Confident	1 Å²	1	58 Å²	58	1%	0.006	30%	0.299	C	S	.	.			trans	-130.8	23.6	-171.1	59.7	0	0	0	0	112.2	F475 Y480 W481 R522 A524	F475-T478 HydrophobicContact CB-CG2 4.31Å; T478-Y480 PolarHBondContact O-N 2.85Å; T478-Y480 VanDerWaalsContact O-N 3.11Å; T478-W481 HydrophobicContact CG2-CE3 3.53Å; T478-W481 HydrophobicContact CG2-CZ3 3.4Å; T478-W481 VanDerWaalsContact CG2-CZ3 3.4Å; T478-W481 PolarHBondContact O-N 2.73Å; T478-W481 VanDerWaalsContact O-N 3.16Å; T478-R522 CarbonylContact C-O 3.5Å; T478-R522 PolarHBondContact N-O 2.92Å; T478-R522 VanDerWaalsContact N-O 3.12Å; T478-A524 WeakPolarHBondContact CG2-O 3.5Å; T478-A524 PolarHBondContact OG1-N 2.86Å; T478-A524 PolarHBondContact OG1-O 3.41Å
479	W	76.9	Confident	83.3	Confident	163 Å²	163	58.8 Å²	58.8	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	-173.5	63.6	-98.9	0	0	0	113.6	R522	W479-R522 WeakPolarHBondContact CA-O 3.41Å; W479-R522 HydrophobicContact CB-CB 3.8Å; W479-R522 HydrophobicContact CB-CG 4.14Å; W479-R522 PolarHBondContact N-O 3.48Å
480	Y	78.8	Confident	83.3	Confident	91 Å²	91	60 Å²	60	36%	0.357	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.9	-178	53.6	-92.6	0	0	0	114	F475 E477 T478	F475-Y480 VanDerWaalsContact CD1-OH 3.23Å; F475-Y480 WeakPolarHBondContact CD1-OH 3.35Å; E477-Y480 WeakPolarHBondContact O-CE1 3.23Å; T478-Y480 PolarHBondContact O-N 2.85Å; T478-Y480 VanDerWaalsContact O-N 3.11Å
481	W	81.1	Confident	83.1	Confident	11 Å²	11	61 Å²	61	4%	0.042	32%	0.319	C	S	.	.	S	Bend	trans	-93.8	117.8	171.4	-71.2	-41.5	0	0	0	110.2	G425 E431 G432 R433 F475 T478 G483	G425-W481 WeakPolarHBondContact O-CB 3.49Å; E431-W481 HydrophobicContact CB-CZ2 4.17Å; E431-W481 HydrophobicContact CG-CZ2 4.4Å; G432-W481 VanDerWaalsContact C-CE3 3.45Å; G432-W481 WeakPolarHBondContact O-CZ3 3.34Å; R433-W481 HydrophobicContact CB-CE3 4.44Å; F475-W481 HydrophobicContact CB-CH2 4.46Å; F475-W481 AromaticContact CD2-CH2 3.42Å; F475-W481 HydrophobicContact CD2-CH2 3.42Å; F475-W481 VanDerWaalsContact CD2-CH2 3.42Å; F475-W481 HydrophobicContact CD2-CZ2 4.35Å; F475-W481 HydrophobicContact CD2-CZ3 4.17Å; F475-W481 AromaticContact CE2-CH2 3.65Å; F475-W481 HydrophobicContact CE2-CH2 3.65Å; F475-W481 HydrophobicContact CE2-CZ2 4.18Å; F475-W481 AromaticContact CG-CH2 3.95Å; F475-W481 HydrophobicContact CG-CH2 3.95Å; F475-W481 HydrophobicContact CG-CZ3 4.46Å; F475-W481 HydrophobicContact CZ-CH2 4.37Å; T478-W481 HydrophobicContact CG2-CE3 3.53Å; T478-W481 HydrophobicContact CG2-CZ3 3.4Å; T478-W481 VanDerWaalsContact CG2-CZ3 3.4Å; T478-W481 PolarHBondContact O-N 2.73Å; T478-W481 VanDerWaalsContact O-N 3.16Å; W481-G483 PolarHBondContact O-N 2.79Å
482	E	72.4	Confident	83	Confident	182 Å²	182	62 Å²	62	85%	0.85	32%	0.324	S	S	*	.			trans	-69.8	118.9	176.1	-65.1	-171.1	170.9	0	0	109.4	G425	G425-E482 WeakPolarHBondContact CA-O 3.38Å
483	G	67	Low	83	Confident	33 Å²	33	60 Å²	60	34%	0.34	31%	0.31	S	S	.	.			trans	-136.7	166	178	0	0	0	0	0	112.2	W481 S485	W481-G483 PolarHBondContact O-N 2.79Å; G483-S485 PolarHBondContact O-N 3.11Å
484	D	71.1	Confident	82.9	Confident	85 Å²	85	57.5 Å²	57.5	46%	0.455	31%	0.305	S	S	.	.			trans	-62	118.8	177.6	-174.6	-4.9	0	0	0	109.6	R433 S486 A487	R433-D484 PolarHBondContact NH2-O 3.43Å; D484-S486 PolarHBondContact O-N 3.34Å; D484-S486 VanDerWaalsContact O-N 3.13Å; D484-S486 VanDerWaalsContact OD1-CB 3.24Å; D484-S486 WeakPolarHBondContact OD1-CB 3.48Å; D484-S486 PolarHBondContact OD1-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 2.77Å; D484-S486 VanDerWaalsContact OD1-OG 3.05Å; D484-S486 PolarHBondContact OD2-OG 3.16Å; D484-A487 PolarHBondContact O-N 3.21Å
485	S	74.6	Confident	82.9	Confident	92 Å²	92	57.6 Å²	57.6	64%	0.643	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.4	-18.1	178.9	55.8	0	0	0	0	112.3	G483 A487 D488	G483-S485 PolarHBondContact O-N 3.11Å; S485-A487 PolarHBondContact O-N 3.01Å; S485-D488 PolarHBondContact O-N 3.22Å
486	S	76.3	Confident	83	Confident	80 Å²	80	63.5 Å²	63.5	56%	0.559	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-62.5	-20.9	172.6	82	0	0	0	0	113.3	D484	D484-S486 PolarHBondContact O-N 3.34Å; D484-S486 VanDerWaalsContact O-N 3.13Å; D484-S486 VanDerWaalsContact OD1-CB 3.24Å; D484-S486 WeakPolarHBondContact OD1-CB 3.48Å; D484-S486 PolarHBondContact OD1-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 2.77Å; D484-S486 VanDerWaalsContact OD1-OG 3.05Å; D484-S486 PolarHBondContact OD2-OG 3.16Å
487	A	80.8	Confident	83.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-103.5	11	-179.8	0	0	0	0	0	114.1	E435 W446 G447 S448 D484 S485 S489	E435-A487 HydrophobicContact CG-CB 4.25Å; W446-A487 HydrophobicContact CB-CB 4.05Å; G447-A487 CarbonylContact C-O 3.5Å; G447-A487 WeakPolarHBondContact CA-O 3.27Å; S448-A487 PolarHBondContact N-O 1.99Å; D484-A487 PolarHBondContact O-N 3.21Å; S485-A487 PolarHBondContact O-N 3.01Å; A487-S489 VanDerWaalsContact C-N 3.29Å; A487-S489 PolarHBondContact O-N 3.13Å
488	D	82.4	Confident	83.3	Confident	63 Å²	63	57.9 Å²	57.9	34%	0.337	31%	0.309	S	S	.	.			trans	-68.5	-28.2	-177.7	-78	-15	0	0	0	113.1	S448 S485 V490 G521	S448-D488 PolarHBondContact OG-O 3.19Å; S485-D488 PolarHBondContact O-N 3.22Å; D488-V490 PolarHBondContact O-N 2.71Å; D488-G521 PolarHBondContact O-N 2.7Å
489	S	86.5	Confident	83.5	Confident	46 Å²	46	58.3 Å²	58.3	32%	0.322	31%	0.314	S	S	.	.	S	Bend	trans	-65.3	129.5	-177.9	73.6	0	0	0	0	111.6	G447 S448 A487 L491	G447-S489 CarbonylContact C-O 3.59Å; G447-S489 VanDerWaalsContact CA-O 3.25Å; G447-S489 WeakPolarHBondContact CA-O 3.28Å; S448-S489 PolarHBondContact N-O 3.37Å; S448-S489 PolarHBondContact OG-O 2.9Å; A487-S489 VanDerWaalsContact C-N 3.29Å; A487-S489 PolarHBondContact O-N 3.13Å; S489-L491 PolarHBondContact O-N 3.19Å
490	V	89.4	Confident	83.8	Confident	29 Å²	29	55.8 Å²	55.8	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.1	177.8	-173.4	0	0	0	0	109.8	S448 C450 D488 M492 V514 C516	S448-V490 CarbonylContact O-C 3.51Å; S448-V490 WeakPolarHBondContact O-CA 3.45Å; C450-V490 HydrophobicContact CB-CG1 3.93Å; D488-V490 PolarHBondContact O-N 2.71Å; V490-M492 VanDerWaalsContact CG1-O 3.25Å; V490-M492 WeakPolarHBondContact CG1-O 3.39Å; V490-V514 HydrophobicContact CB-CG1 4.12Å; V490-V514 HydrophobicContact CG1-CG1 3.58Å; V490-C516 HydrophobicContact CG1-CB 4.41Å
491	L	90.1	Very high	84.3	Confident	33 Å²	33	52.7 Å²	52.7	17%	0.173	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-13.1	178.3	-63.6	-179.8	0	0	0	113.4	V436 A438 V445 G447 S448 S489	V436-L491 HydrophobicContact CG2-CB 4.1Å; A438-L491 HydrophobicContact CB-CB 4.5Å; A438-L491 HydrophobicContact CB-CD1 4.08Å; V445-L491 HydrophobicContact CG2-CD1 4.14Å; G447-L491 VanDerWaalsContact CA-CD1 3.46Å; G447-L491 VanDerWaalsContact N-CD1 3.34Å; S448-L491 PolarHBondContact O-N 3.05Å; S489-L491 PolarHBondContact O-N 3.19Å
492	M	90.9	Very high	84.5	Confident	23 Å²	23	53.3 Å²	53.3	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.3	179.7	-176	179.8	-78.3	0	0	109.8	V436 V449 C450 V490 V495 L504 H509	V436-M492 HydrophobicContact CG2-CB 4.24Å; V449-M492 HydrophobicContact CG1-CB 4.32Å; V449-M492 HydrophobicContact CG1-CG 4.39Å; V449-M492 HydrophobicContact CG2-CB 4.29Å; C450-M492 PolarHBondContact N-O 3Å; V490-M492 VanDerWaalsContact CG1-O 3.25Å; V490-M492 WeakPolarHBondContact CG1-O 3.39Å; M492-V495 HydrophobicContact CG-CG2 3.59Å; M492-V495 HydrophobicContact SD-CG2 3.72Å; M492-L504 HydrophobicContact SD-CD2 3.89Å; M492-L504 HydrophobicContact SD-CG 4.04Å; M492-H509 HydrophobicContact CG-CB 4.45Å
493	S	91.6	Very high	85.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.27	C	S	.	.			trans	-147.2	161.2	-178.1	61.3	0	0	0	0	112.7	V495 H510 V514 S515	S493-V495 PolarHBondContact O-N 3.42Å; S493-H510 WeakPolarHBondContact O-CB 3.32Å; S493-H510 PolarHBondContact O-N 3.2Å; S493-H510 PolarHBondContact OG-ND1 3.48Å; S493-V514 WeakPolarHBondContact OG-CA 3.22Å; S493-S515 WeakPolarHBondContact CB-O 3.03Å; S493-S515 PolarHBondContact OG-N 2.95Å; S493-S515 VanDerWaalsContact OG-N 3.07Å; S493-S515 PolarHBondContact OG-O 2.92Å
494	G	89.9	Confident	86.4	Confident	23 Å²	23	43.4 Å²	43.4	24%	0.237	26%	0.255	C	S	.	.	S	Bend	trans	63.4	33.2	177.4	0	0	0	0	0	112.4	R496 H509	G494-R496 PolarHBondContact O-N 3.05Å; G494-H509 WeakPolarHBondContact O-CA 3.14Å
495	V	93.1	Very high	87.2	Confident	3 Å²	3	43 Å²	43	2%	0.018	25%	0.253	C	S	.	.			trans	-71.8	125.7	-178.1	-172.4	0	0	0	0	108.5	V449 W454 E458 M492 S493 L504 C507 L508 H509	V449-V495 HydrophobicContact CG1-CG2 3.86Å; W454-V495 HydrophobicContact CZ3-CB 4.23Å; W454-V495 HydrophobicContact CZ3-CG1 4.3Å; W454-V495 HydrophobicContact CZ3-CG2 4.48Å; E458-V495 HydrophobicContact CG-CB 4.35Å; E458-V495 HydrophobicContact CG-CG1 3.94Å; M492-V495 HydrophobicContact CG-CG2 3.59Å; M492-V495 HydrophobicContact SD-CG2 3.72Å; S493-V495 PolarHBondContact O-N 3.42Å; V495-L504 HydrophobicContact CG1-CD1 3.75Å; V495-L504 HydrophobicContact CG1-CG 4.21Å; V495-C507 HydrophobicContact CG1-CB 3.94Å; V495-L508 CarbonylContact C-O 3.46Å; V495-L508 WeakPolarHBondContact CA-O 3.41Å; V495-H509 HydrophobicContact CG2-CB 4.09Å
496	R	93.9	Very high	87.9	Confident	170 Å²	170	43.3 Å²	43.3	64%	0.642	24%	0.244	S	C	*	.	B	Isolated β-bridge	trans	-136.4	112.6	175.3	-64.1	-170	68.3	-171.8	0.3	108.9	E458 G494 L508	E458-R496 VanDerWaalsContact OE1-CA 3.32Å; E458-R496 WeakPolarHBondContact OE1-CA 3.34Å; G494-R496 PolarHBondContact O-N 3.05Å; R496-L508 HydrophobicContact CB-CB 4.4Å; R496-L508 PolarHBondContact N-O 2.92Å; R496-L508 WeakPolarHBondContact O-CB 3.45Å; R496-L508 PolarHBondContact O-N 3.2Å
497	C	91.8	Very high	88.6	Confident	16 Å²	16	39.7 Å²	39.7	11%	0.108	22%	0.219	C	C	.	.			trans	-102.4	146.9	179.9	-60.3	0	0	0	0	110.4	E458 V461 G499 C507	E458-C497 HydrophobicContact CG-CB 4.34Å; E458-C497 PolarHBondContact OE1-N 3.22Å; V461-C497 HydrophobicContact CG2-CB 3.86Å; C497-G499 VanDerWaalsContact C-N 3.3Å; C497-C507 HydrophobicContact CB-CB 4.01Å; C497-C507 WeakPolarHBondContact CB-SG 3.47Å; C497-C507 WeakPolarHBondContact SG-CB 3.4Å; C497-C507 CovalentContact SG-SG 2.04Å; C497-C507 PolarHBondContact SG-SG 3.44Å
498	S	88.4	Confident	89.1	Confident	72 Å²	72	45.7 Å²	45.7	50%	0.503	25%	0.25	S	S	.	.			trans	-78.8	-18	164.5	62.5	0	0	0	0	112.3	T500 E501	S498-T500 PolarHBondContact OG-N 2.75Å; S498-T500 PolarHBondContact OG-OG1 3.08Å; S498-E501 WeakPolarHBondContact CB-OE1 3.47Å; S498-E501 PolarHBondContact N-OE1 3.21Å; S498-E501 PolarHBondContact N-OE2 3.42Å; S498-E501 VanDerWaalsContact N-OE2 3.14Å; S498-E501 PolarHBondContact OG-OE1 2.97Å; S498-E501 PolarHBondContact OG-OE2 2.74Å; S498-E501 VanDerWaalsContact OG-OE2 3.09Å
499	G	86.3	Confident	89.5	Confident	10 Å²	10	45.6 Å²	45.6	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	93.7	-5.2	-174.7	0	0	0	0	0	113.4	R464 C497 E501	R464-G499 VanDerWaalsContact CZ-O 3.28Å; R464-G499 PolarHBondContact NH1-O 3.41Å; R464-G499 PolarHBondContact NH2-O 2.76Å; C497-G499 VanDerWaalsContact C-N 3.3Å; G499-E501 PolarHBondContact N-OE2 2.82Å
500	T	84.3	Confident	89.6	Confident	109 Å²	109	47.6 Å²	47.6	67%	0.669	25%	0.252	S	S	*	.			trans	-99	-10.7	179.4	64.5	0	0	0	0	113.8	S498	S498-T500 PolarHBondContact OG-N 2.75Å; S498-T500 PolarHBondContact OG-OG1 3.08Å
501	E	87.8	Confident	89.3	Confident	26 Å²	26	48.8 Å²	48.8	12%	0.121	27%	0.27	C	S	.	.			trans	-64.4	140.5	-176.8	-63.1	85.2	177.4	0	0	112	V461 R464 S498 G499 T503 Q506 C507	V461-E501 HydrophobicContact CG1-CB 4.23Å; V461-E501 HydrophobicContact CG2-CB 4.16Å; R464-E501 PolarHBondContact NH2-O 3.28Å; S498-E501 WeakPolarHBondContact CB-OE1 3.47Å; S498-E501 PolarHBondContact N-OE1 3.21Å; S498-E501 PolarHBondContact N-OE2 3.42Å; S498-E501 VanDerWaalsContact N-OE2 3.14Å; S498-E501 PolarHBondContact OG-OE1 2.97Å; S498-E501 PolarHBondContact OG-OE2 2.74Å; S498-E501 VanDerWaalsContact OG-OE2 3.09Å; G499-E501 PolarHBondContact N-OE2 2.82Å; E501-T503 VanDerWaalsContact C-N 3.3Å; E501-Q506 HydrophobicContact CB-CB 4.04Å; E501-Q506 HydrophobicContact CG-CB 4.12Å; E501-C507 HydrophobicContact CG-CB 4.43Å
502	L	84.9	Confident	88.8	Confident	25 Å²	25	57 Å²	57	13%	0.131	30%	0.304	C	S	.	.	S	Bend	trans	-77	-24.5	180	-52.6	177.1	0	0	0	112	F293 I320 F417 Q506	F293-L502 HydrophobicContact CE1-CD1 4.34Å; I320-L502 HydrophobicContact CD1-CB 4.34Å; I320-L502 HydrophobicContact CD1-CD2 3.36Å; I320-L502 HydrophobicContact CD1-CG 4.41Å; I320-L502 HydrophobicContact CG1-CD2 3.79Å; F417-L502 HydrophobicContact CE2-CB 3.97Å; F417-L502 HydrophobicContact CE2-CD1 4.46Å; F417-L502 HydrophobicContact CZ-CB 4.21Å; F417-L502 HydrophobicContact CZ-CD1 4.32Å; L502-Q506 VanDerWaalsContact N-OE1 3.11Å
503	T	89.3	Confident	88.5	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.025	34%	0.336	C	S	.	.	S	Bend	trans	-147.9	151.8	-175.8	54.7	0	0	0	0	110.8	F417 Q465 E501 D505 Q506	F417-T503 HydrophobicContact CB-CG2 3.67Å; F417-T503 HydrophobicContact CD1-CG2 3.31Å; F417-T503 HydrophobicContact CD2-CG2 3.75Å; F417-T503 HydrophobicContact CE1-CG2 3.71Å; F417-T503 HydrophobicContact CE2-CG2 4.13Å; F417-T503 HydrophobicContact CG-CG2 3.32Å; F417-T503 HydrophobicContact CZ-CG2 4.1Å; Q465-T503 HydrophobicContact CG-CG2 4.22Å; E501-T503 VanDerWaalsContact C-N 3.3Å; T503-D505 WeakPolarHBondContact CB-OD1 3.34Å; T503-D505 PolarHBondContact O-N 3.13Å; T503-D505 PolarHBondContact OG1-OD1 2.81Å; T503-Q506 WeakPolarHBondContact O-CB 3.45Å; T503-Q506 PolarHBondContact O-N 2.87Å; T503-Q506 WeakPolarHBondContact OG1-CG 2.94Å; T503-Q506 PolarHBondContact OG1-NE2 3.17Å
504	L	91.6	Very high	88.2	Confident	2 Å²	2	67 Å²	67	1%	0.01	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.9	-29.3	-177.4	-163.8	67	0	0	0	113.2	L421 V434 V436 V449 W454 V461 V462 M492 V495 Q506 C507	L421-L504 HydrophobicContact CD1-CB 3.92Å; L421-L504 HydrophobicContact CD1-CD2 3.81Å; V434-L504 HydrophobicContact CG1-CD2 4.36Å; V436-L504 HydrophobicContact CG1-CD2 4.35Å; V449-L504 HydrophobicContact CG2-CD2 4.23Å; W454-L504 HydrophobicContact CH2-CD1 3.98Å; W454-L504 HydrophobicContact CH2-CD2 4.07Å; W454-L504 HydrophobicContact CZ3-CD1 4.21Å; W454-L504 HydrophobicContact CZ3-CD2 4.36Å; V461-L504 HydrophobicContact CG1-CD1 4.47Å; V462-L504 HydrophobicContact CG2-CD1 3.91Å; V462-L504 HydrophobicContact CG2-CD2 4.08Å; V462-L504 HydrophobicContact CG2-CG 4.48Å; M492-L504 HydrophobicContact SD-CD2 3.89Å; M492-L504 HydrophobicContact SD-CG 4.04Å; V495-L504 HydrophobicContact CG1-CD1 3.75Å; V495-L504 HydrophobicContact CG1-CG 4.21Å; L504-Q506 PolarHBondContact O-N 2.76Å; L504-C507 WeakPolarHBondContact O-CB 3.22Å; L504-C507 PolarHBondContact O-N 2.7Å
505	D	88.1	Confident	88	Confident	77 Å²	77	69.1 Å²	69.1	41%	0.412	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-73.9	-8.8	176.2	66.6	-40.4	0	0	0	114.1	T503 H509	T503-D505 WeakPolarHBondContact CB-OD1 3.34Å; T503-D505 PolarHBondContact O-N 3.13Å; T503-D505 PolarHBondContact OG1-OD1 2.81Å; D505-H509 PolarHBondContact O-NE2 2.85Å
506	Q	88.4	Confident	87.6	Confident	98 Å²	98	70.5 Å²	70.5	46%	0.458	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-88.9	-18.6	171.3	-68.3	169.6	22.1	0	0	112.5	E501 L502 T503 L504	E501-Q506 HydrophobicContact CB-CB 4.04Å; E501-Q506 HydrophobicContact CG-CB 4.12Å; L502-Q506 VanDerWaalsContact N-OE1 3.11Å; T503-Q506 WeakPolarHBondContact O-CB 3.45Å; T503-Q506 PolarHBondContact O-N 2.87Å; T503-Q506 WeakPolarHBondContact OG1-CG 2.94Å; T503-Q506 PolarHBondContact OG1-NE2 3.17Å; L504-Q506 PolarHBondContact O-N 2.76Å
507	C	90.6	Very high	86.8	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.034	38%	0.376	C	S	.	.	S	Bend	trans	-64.6	157.9	175.3	-60.4	0	0	0	0	110.3	V495 C497 E501 L504 H509	V495-C507 HydrophobicContact CG1-CB 3.94Å; C497-C507 HydrophobicContact CB-CB 4.01Å; C497-C507 WeakPolarHBondContact CB-SG 3.47Å; C497-C507 WeakPolarHBondContact SG-CB 3.4Å; C497-C507 CovalentContact SG-SG 2.04Å; C497-C507 PolarHBondContact SG-SG 3.44Å; E501-C507 HydrophobicContact CG-CB 4.43Å; L504-C507 WeakPolarHBondContact O-CB 3.22Å; L504-C507 PolarHBondContact O-N 2.7Å; C507-H509 PolarHBondContact O-CD2 2.82Å; C507-H509 PolarHBondContact O-N 3.38Å; C507-H509 VanDerWaalsContact O-N 3.16Å
508	L	91.7	Very high	85.5	Confident	126 Å²	126	74.6 Å²	74.6	66%	0.66	41%	0.406	S	S	*	.	B	Isolated β-bridge	trans	-63.5	121.8	171.1	179.2	66.2	0	0	0	107.9	V495 R496	V495-L508 CarbonylContact C-O 3.46Å; V495-L508 WeakPolarHBondContact CA-O 3.41Å; R496-L508 HydrophobicContact CB-CB 4.4Å; R496-L508 PolarHBondContact N-O 2.92Å; R496-L508 WeakPolarHBondContact O-CB 3.45Å; R496-L508 PolarHBondContact O-N 3.2Å
509	H	91.4	Very high	84.2	Confident	60 Å²	60	72.4 Å²	72.4	28%	0.278	40%	0.395	S	S	.	.			trans	-148.6	159.9	177.5	70.1	81.3	0	0	0	111.1	M492 G494 V495 D505 C507 G511	M492-H509 HydrophobicContact CG-CB 4.45Å; G494-H509 WeakPolarHBondContact O-CA 3.14Å; V495-H509 HydrophobicContact CG2-CB 4.09Å; D505-H509 PolarHBondContact O-NE2 2.85Å; C507-H509 PolarHBondContact O-CD2 2.82Å; C507-H509 PolarHBondContact O-N 3.38Å; C507-H509 VanDerWaalsContact O-N 3.16Å; H509-G511 PolarHBondContact O-N 3.38Å
510	H	88.6	Confident	83.1	Confident	89 Å²	89	73.1 Å²	73.1	41%	0.412	40%	0.402	S	S	.	.			trans	-64.3	134.8	171.5	-60.3	150.4	0	0	0	109.7	S493 H513	S493-H510 WeakPolarHBondContact O-CB 3.32Å; S493-H510 PolarHBondContact O-N 3.2Å; S493-H510 PolarHBondContact OG-ND1 3.48Å; H510-H513 WeakPolarHBondContact CB-O 3.36Å
511	G	82.4	Confident	82.3	Confident	54 Å²	54	68.3 Å²	68.3	56%	0.557	37%	0.374	S	S	*	.			trans	-70.7	-124.2	-178.9	0	0	0	0	0	113	H509 H513	H509-G511 PolarHBondContact O-N 3.38Å; G511-H513 PolarHBondContact O-N 3.08Å
512	K	80.4	Confident	81.3	Confident	206 Å²	206	75.9 Å²	75.9	90%	0.896	40%	0.402	S	S	*	.	S	Bend	trans	-69.3	-21.8	-179.1	-65	-174.5	179.4	-177.8	0	113.9	V514	K512-V514 PolarHBondContact O-N 3.34Å
513	H	84.6	Confident	80.9	Confident	171 Å²	171	79.7 Å²	79.7	79%	0.792	42%	0.417	S	S	*	.	S	Bend	trans	-92.6	97.1	-179.8	-63.8	-69.8	0	0	0	109.4	H510 G511	H510-H513 WeakPolarHBondContact CB-O 3.36Å; G511-H513 PolarHBondContact O-N 3.08Å
514	V	85.6	Confident	80.8	Confident	60 Å²	60	79.5 Å²	79.5	36%	0.364	42%	0.416	S	S	.	.			trans	-82.3	129.6	177.5	-178.3	0	0	0	0	109	V490 S493 K512	V490-V514 HydrophobicContact CB-CG1 4.12Å; V490-V514 HydrophobicContact CG1-CG1 3.58Å; S493-V514 WeakPolarHBondContact OG-CA 3.22Å; K512-V514 PolarHBondContact O-N 3.34Å
515	S	85.6	Confident	80.9	Confident	69 Å²	69	79.4 Å²	79.4	48%	0.483	42%	0.416	S	S	.	.			trans	-130.6	121.9	173.9	-177.5	0	0	0	0	108.6	S493	S493-S515 WeakPolarHBondContact CB-O 3.03Å; S493-S515 PolarHBondContact OG-N 2.95Å; S493-S515 VanDerWaalsContact OG-N 3.07Å; S493-S515 PolarHBondContact OG-O 2.92Å
516	C	85	Confident	81.2	Confident	31 Å²	31	75.7 Å²	75.7	21%	0.209	40%	0.396	C	S	.	.			trans	-140.9	88.1	-178	-162.8	0	0	0	0	108.9	C450 V490 K518 G519	C450-C516 VanDerWaalsContact CA-SG 3.6Å; C450-C516 HydrophobicContact CB-CB 3.88Å; C450-C516 WeakPolarHBondContact CB-SG 3.49Å; C450-C516 VanDerWaalsContact SG-CA 3.54Å; C450-C516 WeakPolarHBondContact SG-CB 3.48Å; C450-C516 CovalentContact SG-SG 2.03Å; C450-C516 PolarHBondContact SG-SG 2.87Å; V490-C516 HydrophobicContact CG1-CB 4.41Å; C516-K518 PolarHBondContact O-N 2.51Å; C516-G519 VanDerWaalsContact SG-C 3.58Å; C516-G519 WeakPolarHBondContact SG-CA 3.17Å
517	P	75.4	Confident	81.6	Confident	105 Å²	105	71 Å²	71	68%	0.682	37%	0.374	S	S	*	.	S	Bend	trans	-64	-33.6	-177.6	-18.4	30.3	0	0	0	112.2
518	K	64.9	Low	81.7	Confident	167 Å²	167	71.6 Å²	71.6	73%	0.726	38%	0.378	S	S	*	.	S	Bend	trans	-125.5	89.3	173	-62.8	-179.6	-178.4	179.1	0	107.8	C516	C516-K518 PolarHBondContact O-N 2.51Å
519	G	61.7	Low	81.9	Confident	27 Å²	27	66 Å²	66	28%	0.278	35%	0.349	S	S	.	.			trans	161.6	162.6	169.2	0	0	0	0	0	117.3	C516 F523	C516-G519 VanDerWaalsContact SG-C 3.58Å; C516-G519 WeakPolarHBondContact SG-CA 3.17Å; G519-F523 WeakPolarHBondContact CA-O 3.19Å
520	G	62	Low	81.8	Confident	24 Å²	24	65.1 Å²	65.1	25%	0.247	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	121.1	138	-174.4	0	0	0	0	0	113	R522 F523	G520-R522 PolarHBondContact O-N 2.8Å; G520-R522 VanDerWaalsContact O-N 3.08Å; G520-F523 PolarHBondContact N-O 3.35Å; G520-F523 PolarHBondContact O-N 2.72Å
521	G	67.9	Low	81.8	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-105.8	-173.6	0	0	0	0	0	113.4	D488 F523 A524	D488-G521 PolarHBondContact O-N 2.7Å; G521-F523 VanDerWaalsContact C-N 3.27Å; G521-F523 PolarHBondContact O-N 2.91Å; G521-A524 WeakPolarHBondContact O-CB 3.41Å; G521-A524 PolarHBondContact O-N 3.23Å
522	R	66.7	Low	82.1	Confident	186 Å²	186	66.2 Å²	66.2	70%	0.702	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.4	-177.9	-72.3	-175.2	-179.1	-177.7	-0.4	114.5	T478 W479 G520	T478-R522 CarbonylContact C-O 3.5Å; T478-R522 PolarHBondContact N-O 2.92Å; T478-R522 VanDerWaalsContact N-O 3.12Å; W479-R522 WeakPolarHBondContact CA-O 3.41Å; W479-R522 HydrophobicContact CB-CB 3.8Å; W479-R522 HydrophobicContact CB-CG 4.14Å; W479-R522 PolarHBondContact N-O 3.48Å; G520-R522 PolarHBondContact O-N 2.8Å; G520-R522 VanDerWaalsContact O-N 3.08Å
523	F	76.8	Confident	82.7	Confident	104 Å²	104	56.5 Å²	56.5	46%	0.456	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-112.9	48.2	177.2	-58.4	-80.2	0	0	0	109.7	S451 E477 G519 G520 G521	S451-F523 PolarHBondContact OG-O 2.71Å; E477-F523 HydrophobicContact CG-CD1 4.07Å; E477-F523 HydrophobicContact CG-CE1 4.49Å; G519-F523 WeakPolarHBondContact CA-O 3.19Å; G520-F523 PolarHBondContact N-O 3.35Å; G520-F523 PolarHBondContact O-N 2.72Å; G521-F523 VanDerWaalsContact C-N 3.27Å; G521-F523 PolarHBondContact O-N 2.91Å
524	A	88.4	Confident	83.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-91.6	161.3	175.3	0	0	0	0	0	110	R433 T478 G521	R433-A524 HydrophobicContact CG-CB 3.7Å; T478-A524 WeakPolarHBondContact CG2-O 3.5Å; T478-A524 PolarHBondContact OG1-N 2.86Å; T478-A524 PolarHBondContact OG1-O 3.41Å; G521-A524 WeakPolarHBondContact O-CB 3.41Å; G521-A524 PolarHBondContact O-N 3.23Å
525	A	93	Very high	83.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.			trans	-67.7	143.4	171.8	0	0	0	0	0	111.5	V434 V449 W454	V434-A525 PolarHBondContact N-O 2.97Å; V449-A525 HydrophobicContact CB-CB 4.08Å; V449-A525 HydrophobicContact CG1-CB 4.28Å; V449-A525 PolarHBondContact O-N 2.91Å; W454-A525 HydrophobicContact CB-CB 4.35Å; W454-A525 HydrophobicContact CD2-CB 3.42Å; W454-A525 VanDerWaalsContact CD2-CB 3.42Å; W454-A525 HydrophobicContact CE3-CB 3.7Å; W454-A525 HydrophobicContact CG-CB 3.71Å; W454-A525 HydrophobicContact CH2-CB 4.36Å; W454-A525 HydrophobicContact CZ2-CB 4.13Å; W454-A525 HydrophobicContact CZ3-CB 4.16Å
526	G	94	Very high	84.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.5	-178	0	0	0	0	0	112.5	G432 W454 F475	G432-G526 WeakPolarHBondContact O-CA 2.86Å; W454-G526 PolarHBondContact NE1-O 2.97Å; F475-G526 PolarHBondContact N-O 3.07Å; F475-G526 PolarHBondContact O-N 3.4Å
527	V	95.9	Very high	84.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.7	174.8	-57.1	0	0	0	0	111.2	L423 E431 G432 V434 W454 A459 V462 H473	L423-V527 HydrophobicContact CD1-CG2 3.99Å; L423-V527 HydrophobicContact CD2-CG2 3.48Å; L423-V527 VanDerWaalsContact CD2-CG2 3.48Å; L423-V527 HydrophobicContact CG-CG2 4.4Å; E431-V527 CarbonylContact C-O 3.52Å; E431-V527 VanDerWaalsContact CA-O 3.25Å; E431-V527 WeakPolarHBondContact CA-O 3.32Å; G432-V527 PolarHBondContact N-O 3.09Å; G432-V527 PolarHBondContact O-N 3.24Å; G432-V527 VanDerWaalsContact O-N 3.07Å; V434-V527 HydrophobicContact CG2-CB 4.48Å; V434-V527 HydrophobicContact CG2-CG1 3.81Å; V434-V527 HydrophobicContact CG2-CG2 4.06Å; W454-V527 HydrophobicContact CZ2-CG1 3.8Å; A459-V527 HydrophobicContact CB-CB 4.26Å; A459-V527 HydrophobicContact CB-CG1 3.6Å; V462-V527 HydrophobicContact CB-CG1 4.19Å; V462-V527 HydrophobicContact CG1-CG1 4.21Å; V462-V527 HydrophobicContact CG1-CG2 3.8Å; H473-V527 WeakPolarHBondContact O-CA 3.29Å
528	S	94.4	Very high	85.6	Confident	17 Å²	17	36.5 Å²	36.5	12%	0.119	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.9	160.1	179.3	0	0	0	0	108.2	Y430 S472 H473	Y430-S528 CarbonylContact O-C 3.5Å; Y430-S528 WeakPolarHBondContact O-CA 3.41Å; S472-S528 WeakPolarHBondContact CB-O 3.39Å; S472-S528 PolarHBondContact N-O 2.99Å; H473-S528 PolarHBondContact N-O 3.43Å; H473-S528 PolarHBondContact O-N 2.84Å
529	C	94.3	Very high	87	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.054	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.8	-174.2	-50.3	0	0	0	0	111	Y430 C463 L468 F470	Y430-C529 WeakPolarHBondContact CB-O 3.47Å; Y430-C529 WeakPolarHBondContact O-CB 3.47Å; Y430-C529 PolarHBondContact O-N 3.15Å; C463-C529 WeakPolarHBondContact CA-SG 3.24Å; C463-C529 HydrophobicContact CB-CB 3.76Å; C463-C529 WeakPolarHBondContact CB-SG 3.34Å; C463-C529 VanDerWaalsContact SG-CA 3.54Å; C463-C529 WeakPolarHBondContact SG-CB 3.41Å; C463-C529 CovalentContact SG-SG 2.04Å; C463-C529 PolarHBondContact SG-SG 3.44Å; L468-C529 HydrophobicContact CB-CB 3.69Å; F470-C529 CarbonylContact O-C 3.58Å; F470-C529 VanDerWaalsContact O-CA 3.22Å; F470-C529 WeakPolarHBondContact O-CA 3.15Å
530	T	90.9	Very high	88.5	Confident	41 Å²	41	28.8 Å²	28.8	25%	0.252	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.4	-179.7	177.5	0	0	0	0	110.2	G469 F470 T532	G469-T530 CarbonylContact C-O 3.5Å; G469-T530 WeakPolarHBondContact CA-O 3.44Å; F470-T530 HydrophobicContact CB-CG2 4.17Å; F470-T530 PolarHBondContact N-O 3.44Å; F470-T530 PolarHBondContact O-N 2.65Å; T530-T532 WeakPolarHBondContact CG2-O 3.42Å; T530-T532 PolarHBondContact OG1-N 3.43Å; T530-T532 PolarHBondContact OG1-O 3.32Å
531	Q	87.3	Confident	90	Very high	112 Å²	112	33.8 Å²	33.8	52%	0.523	17%	0.166	S	C	.	.	S	Bend	trans	-83.1	-16.2	178.6	-63.8	-64.9	-61.9	0	0	113.2	L468	L468-Q531 PolarHBondContact O-NE2 2.86Å
532	T	88.5	Confident	91.3	Very high	54 Å²	54	34.7 Å²	34.7	33%	0.331	17%	0.17	S	C	.	.			trans	-135.6	147.1	-176.9	54.7	0	0	0	0	110.4	T530 L593	T530-T532 WeakPolarHBondContact CG2-O 3.42Å; T530-T532 PolarHBondContact OG1-N 3.43Å; T530-T532 PolarHBondContact OG1-O 3.32Å; T532-L593 HydrophobicContact CG2-CB 3.93Å
533	A	93.8	Very high	92.7	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.136	C	C	.	.			trans	-137.5	154.2	175.1	0	0	0	0	0	110.4	F470 L593 S594	F470-A533 HydrophobicContact CB-CB 3.91Å; F470-A533 HydrophobicContact CD1-CB 4.1Å; F470-A533 HydrophobicContact CD2-CB 3.83Å; F470-A533 HydrophobicContact CE2-CB 4.34Å; F470-A533 HydrophobicContact CG-CB 3.68Å; A533-L593 PolarHBondContact O-N 3.25Å; A533-S594 VanDerWaalsContact CA-OG 3.22Å; A533-S594 WeakPolarHBondContact CA-OG 3.46Å; A533-S594 PolarHBondContact N-OG 2.96Å; A533-S594 PolarHBondContact O-N 3.04Å
534	P	95.8	Very high	93.5	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.058	13%	0.131	C	C	.	.			trans	-67.4	166.4	167.7	31.3	-36.3	0	0	0	111.5	N590 S594 F596 A706 E707 S708	P534-N590 WeakPolarHBondContact CA-OD1 3.24Å; P534-S594 VanDerWaalsContact CA-O 3.3Å; P534-S594 WeakPolarHBondContact CA-O 3.36Å; P534-S594 WeakPolarHBondContact CB-O 2.98Å; P534-S594 WeakPolarHBondContact CD-OG 3.38Å; P534-F596 HydrophobicContact CB-CB 3.76Å; P534-F596 HydrophobicContact CB-CD2 3.97Å; P534-F596 HydrophobicContact CB-CG 4.38Å; P534-F596 HydrophobicContact CG-CB 4.18Å; P534-F596 HydrophobicContact CG-CD2 3.69Å; P534-F596 HydrophobicContact CG-CG 4.39Å; P534-A706 WeakPolarHBondContact CD-O 3.43Å; P534-A706 WeakPolarHBondContact CG-O 3.23Å; P534-E707 HydrophobicContact CG-CG 4.41Å; P534-E707 CarbonylContact O-C 3.58Å; P534-E707 WeakPolarHBondContact O-CA 3.48Å; P534-E707 WeakPolarHBondContact O-CB 3.5Å; P534-S708 PolarHBondContact O-N 3.06Å; P534-S708 PolarHBondContact O-OG 3.16Å
535	D	96.2	Very high	93.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.			trans	-144.8	104.5	175.6	-165.9	-14.7	0	0	0	108.6	N590 N591 G592 S708 N712	D535-N590 PolarHBondContact N-OD1 3.4Å; D535-N590 VanDerWaalsContact N-OD1 3.1Å; D535-N590 CarbonylContact O-C 3.53Å; D535-N590 WeakPolarHBondContact O-CA 3.38Å; D535-N591 PolarHBondContact O-N 2.87Å; D535-G592 VanDerWaalsContact CB-CA 3.46Å; D535-S708 WeakPolarHBondContact CB-OG 3.34Å; D535-S708 PolarHBondContact OD2-OG 3.16Å; D535-N712 PolarHBondContact OD1-ND2 2.85Å; D535-N712 PolarHBondContact OD1-OD1 3.47Å
536	L	95.1	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127	-174.1	-59.4	-175.7	0	0	0	111.8	I588 Q589 N590 F596 F620 I666 I699 E707	L536-I588 HydrophobicContact CB-CG2 3.97Å; L536-I588 HydrophobicContact CD1-CG2 4.29Å; L536-I588 HydrophobicContact CD2-CG2 4.12Å; L536-I588 HydrophobicContact CG-CG2 4.37Å; L536-Q589 VanDerWaalsContact CA-O 3.29Å; L536-Q589 WeakPolarHBondContact CA-O 3.41Å; L536-N590 HydrophobicContact CD2-CB 4.03Å; L536-F596 HydrophobicContact CD1-CD1 4.22Å; L536-F596 HydrophobicContact CD1-CD2 3.49Å; L536-F596 VanDerWaalsContact CD1-CD2 3.49Å; L536-F596 HydrophobicContact CD1-CE1 4.16Å; L536-F596 HydrophobicContact CD1-CE2 3.39Å; L536-F596 HydrophobicContact CD1-CG 3.91Å; L536-F596 HydrophobicContact CD1-CZ 3.77Å; L536-F596 HydrophobicContact CD2-CB 3.95Å; L536-F596 HydrophobicContact CD2-CD2 3.98Å; L536-F596 HydrophobicContact CD2-CG 3.97Å; L536-F596 HydrophobicContact CG-CD2 3.75Å; L536-F596 HydrophobicContact CG-CE2 4.09Å; L536-F596 HydrophobicContact CG-CG 4.22Å; L536-F620 HydrophobicContact CD1-CE2 3.63Å; L536-F620 HydrophobicContact CD1-CZ 3.58Å; L536-I666 HydrophobicContact CD2-CD1 4.25Å; L536-I699 HydrophobicContact CB-CG2 4.01Å; L536-I699 HydrophobicContact CD1-CG2 3.8Å; L536-E707 WeakPolarHBondContact CA-OE2 3.41Å; L536-E707 WeakPolarHBondContact CB-OE2 3.33Å; L536-E707 VanDerWaalsContact CG-OE2 3.31Å; L536-E707 WeakPolarHBondContact CG-OE2 3.42Å; L536-E707 PolarHBondContact N-OE2 3.17Å
537	V	95.4	Very high	94.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.9	178	-167.9	0	0	0	0	110.9	V371 I588 Q589 N712 I733	V371-V537 HydrophobicContact CG1-CB 4.3Å; V371-V537 HydrophobicContact CG1-CG1 3.91Å; V371-V537 HydrophobicContact CG1-CG2 4.4Å; V371-V537 HydrophobicContact CG2-CG1 4.35Å; V537-I588 WeakPolarHBondContact O-CA 3.33Å; V537-Q589 PolarHBondContact N-O 2.81Å; V537-Q589 PolarHBondContact O-N 3.07Å; V537-N712 HydrophobicContact CG2-CB 4.31Å; V537-N712 WeakPolarHBondContact CG2-ND2 3.49Å; V537-I733 HydrophobicContact CG1-CD1 4.07Å; V537-I733 HydrophobicContact CG1-CG1 4.02Å; V537-I733 HydrophobicContact CG1-CG2 4.49Å
538	L	94.8	Very high	94.2	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.7	174.1	-162.3	70.1	0	0	0	110.5	A540 V543 Q587 I588 V697 I699 M715 I733	L538-A540 PolarHBondContact O-N 3.24Å; L538-A540 VanDerWaalsContact O-N 3.14Å; L538-V543 HydrophobicContact CD2-CG2 3.86Å; L538-V543 HydrophobicContact CG-CG2 4.32Å; L538-Q587 CarbonylContact C-O 3.47Å; L538-Q587 WeakPolarHBondContact CA-O 3.03Å; L538-I588 HydrophobicContact CD1-CD1 4.33Å; L538-I588 HydrophobicContact CD1-CG1 3.97Å; L538-V697 HydrophobicContact CD1-CG1 4.49Å; L538-V697 HydrophobicContact CD2-CB 3.68Å; L538-V697 HydrophobicContact CD2-CG1 3.61Å; L538-V697 HydrophobicContact CD2-CG2 4.24Å; L538-I699 HydrophobicContact CB-CD1 3.59Å; L538-I699 HydrophobicContact CD1-CD1 4.02Å; L538-I699 HydrophobicContact CD1-CG1 4.49Å; L538-I699 HydrophobicContact CG-CD1 4.37Å; L538-M715 HydrophobicContact CB-CB 4.23Å; L538-M715 HydrophobicContact CD2-CB 3.58Å; L538-M715 HydrophobicContact CD2-CE 3.79Å; L538-M715 HydrophobicContact CD2-CG 3.89Å; L538-I733 HydrophobicContact CB-CD1 4.16Å; L538-I733 WeakPolarHBondContact O-CD1 3.16Å
539	S	94.5	Very high	94.3	Very high	18 Å²	18	38.3 Å²	38.3	13%	0.126	20%	0.196	C	C	.	.			trans	-76.7	100	165.9	-176.7	0	0	0	0	110.9	Q541 V542 V543 Q587	S539-Q541 VanDerWaalsContact C-N 3.26Å; S539-Q541 PolarHBondContact O-N 3.44Å; S539-V542 PolarHBondContact O-N 3.13Å; S539-V542 VanDerWaalsContact OG-CG2 3.31Å; S539-V542 WeakPolarHBondContact OG-CG2 3.32Å; S539-V543 PolarHBondContact O-N 2.8Å; S539-Q587 PolarHBondContact N-O 3.39Å
540	A	93.4	Very high	94.4	Very high	15 Å²	15	40 Å²	40	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-36.1	177.7	0	0	0	0	0	112.6	L538 V543 E544 M715 C731 I733	L538-A540 PolarHBondContact O-N 3.24Å; L538-A540 VanDerWaalsContact O-N 3.14Å; A540-V543 PolarHBondContact O-N 3.21Å; A540-E544 PolarHBondContact O-N 3.04Å; A540-E544 VanDerWaalsContact O-N 3.07Å; A540-M715 HydrophobicContact CB-CG 3.81Å; A540-C731 HydrophobicContact CB-CB 4.02Å; A540-C731 WeakPolarHBondContact O-CB 3.24Å; A540-I733 HydrophobicContact CB-CD1 4.33Å
541	Q	92.6	Very high	94.6	Very high	128 Å²	128	41.8 Å²	41.8	60%	0.598	21%	0.212	S	C	*	.	H	α-helix	trans	-64.7	-42	178.8	-175	179.2	20	0	0	112.2	S539 V543 E544 Q545	S539-Q541 VanDerWaalsContact C-N 3.26Å; S539-Q541 PolarHBondContact O-N 3.44Å; Q541-V543 VanDerWaalsContact C-N 3.31Å; Q541-V543 PolarHBondContact O-N 3.05Å; Q541-E544 PolarHBondContact O-N 2.49Å; Q541-Q545 HydrophobicContact CG-CG 4.35Å; Q541-Q545 VanDerWaalsContact NE2-NE2 3.18Å; Q541-Q545 WeakPolarHBondContact O-CB 3.31Å; Q541-Q545 VanDerWaalsContact O-CG 3.29Å; Q541-Q545 WeakPolarHBondContact O-CG 3.31Å; Q541-Q545 PolarHBondContact O-N 2.91Å
542	V	95.4	Very high	94.9	Very high	27 Å²	27	40.1 Å²	40.1	16%	0.164	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-40.8	178.5	167.8	0	0	0	0	110.6	S539 T546 Q587	S539-V542 PolarHBondContact O-N 3.13Å; S539-V542 VanDerWaalsContact OG-CG2 3.31Å; S539-V542 WeakPolarHBondContact OG-CG2 3.32Å; V542-T546 HydrophobicContact CG1-CG2 4.47Å; V542-T546 WeakPolarHBondContact O-CB 3.47Å; V542-T546 WeakPolarHBondContact O-CG2 3.23Å; V542-T546 PolarHBondContact O-N 2.91Å; V542-T546 VanDerWaalsContact O-N 3.1Å; V542-T546 PolarHBondContact O-OG1 3.12Å; V542-Q587 HydrophobicContact CB-CB 4.46Å; V542-Q587 HydrophobicContact CG1-CB 4.26Å; V542-Q587 HydrophobicContact CG2-CB 4.4Å
543	V	95.6	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-50.1	176.1	176.6	0	0	0	0	110.3	L538 S539 A540 Q541 Q545 T546 T547 F584 S585 L695 M715	L538-V543 HydrophobicContact CD2-CG2 3.86Å; L538-V543 HydrophobicContact CG-CG2 4.32Å; S539-V543 PolarHBondContact O-N 2.8Å; A540-V543 PolarHBondContact O-N 3.21Å; Q541-V543 VanDerWaalsContact C-N 3.31Å; Q541-V543 PolarHBondContact O-N 3.05Å; V543-Q545 VanDerWaalsContact C-N 3.34Å; V543-Q545 PolarHBondContact O-N 3.05Å; V543-T546 PolarHBondContact O-N 2.89Å; V543-T547 PolarHBondContact O-N 3.45Å; V543-T547 PolarHBondContact O-OG1 3.47Å; V543-F584 HydrophobicContact CG1-CB 4.15Å; V543-F584 HydrophobicContact CG1-CD2 4.04Å; V543-F584 HydrophobicContact CG1-CG 4.2Å; V543-F584 HydrophobicContact CG2-CD2 4.28Å; V543-S585 VanDerWaalsContact CG2-O 3.27Å; V543-S585 WeakPolarHBondContact CG2-O 3.49Å; V543-L695 HydrophobicContact CG1-CD2 3.99Å; V543-M715 HydrophobicContact CB-CE 4.16Å; V543-M715 HydrophobicContact CG1-CE 3.75Å; V543-M715 HydrophobicContact CG2-CE 4.05Å
544	E	94.8	Very high	95.2	Very high	72 Å²	72	39 Å²	39	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-56.9	-46.7	179.8	-162.8	167.2	154.9	0	0	112.1	A540 Q541 T546 Y729 N730 C731	A540-E544 PolarHBondContact O-N 3.04Å; A540-E544 VanDerWaalsContact O-N 3.07Å; Q541-E544 PolarHBondContact O-N 2.49Å; E544-T546 PolarHBondContact O-N 3.14Å; E544-Y729 WeakPolarHBondContact OE1-CA 3.45Å; E544-N730 PolarHBondContact OE1-N 2.99Å; E544-N730 PolarHBondContact OE2-N 2.88Å; E544-C731 HydrophobicContact CB-CB 3.96Å; E544-C731 VanDerWaalsContact CB-SG 3.51Å; E544-C731 HydrophobicContact CG-CB 4.43Å; E544-C731 WeakPolarHBondContact OE2-CB 3.43Å; E544-C731 PolarHBondContact OE2-N 2.81Å
545	Q	95.6	Very high	94.9	Very high	136 Å²	136	45.5 Å²	45.5	64%	0.636	22%	0.217	S	C	*	.	H	α-helix	trans	-74.2	-25.4	-174.8	-71.1	176.1	-7.3	0	0	114.2	Q541 V543	Q541-Q545 HydrophobicContact CG-CG 4.35Å; Q541-Q545 VanDerWaalsContact NE2-NE2 3.18Å; Q541-Q545 WeakPolarHBondContact O-CB 3.31Å; Q541-Q545 VanDerWaalsContact O-CG 3.29Å; Q541-Q545 WeakPolarHBondContact O-CG 3.31Å; Q541-Q545 PolarHBondContact O-N 2.91Å; V543-Q545 VanDerWaalsContact C-N 3.34Å; V543-Q545 PolarHBondContact O-N 3.05Å
546	T	96.8	Very high	94.7	Very high	31 Å²	31	49.9 Å²	49.9	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-107.3	7.5	-173.5	63.4	0	0	0	0	113.4	V542 V543 E544 Y548 S585	V542-T546 HydrophobicContact CG1-CG2 4.47Å; V542-T546 WeakPolarHBondContact O-CB 3.47Å; V542-T546 WeakPolarHBondContact O-CG2 3.23Å; V542-T546 PolarHBondContact O-N 2.91Å; V542-T546 VanDerWaalsContact O-N 3.1Å; V542-T546 PolarHBondContact O-OG1 3.12Å; V543-T546 PolarHBondContact O-N 2.89Å; E544-T546 PolarHBondContact O-N 3.14Å; T546-Y548 VanDerWaalsContact O-CD1 3.29Å; T546-Y548 WeakPolarHBondContact O-CD1 3.39Å; T546-S585 WeakPolarHBondContact OG1-CB 2.94Å; T546-S585 PolarHBondContact OG1-N 2.89Å; T546-S585 PolarHBondContact OG1-OG 3.25Å
547	T	96.7	Very high	94.5	Very high	25 Å²	25	50 Å²	50	15%	0.153	24%	0.24	C	C	.	.			trans	-76	127.3	-179.9	-64	0	0	0	0	111.7	V543 L582 R583 I726 T728	V543-T547 PolarHBondContact O-N 3.45Å; V543-T547 PolarHBondContact O-OG1 3.47Å; T547-L582 HydrophobicContact CG2-CD1 3.45Å; T547-L582 VanDerWaalsContact CG2-CD1 3.45Å; T547-R583 CarbonylContact C-O 3.59Å; T547-R583 VanDerWaalsContact CA-O 3.22Å; T547-R583 WeakPolarHBondContact CA-O 3.35Å; T547-I726 HydrophobicContact CG2-CG2 4.2Å; T547-T728 WeakPolarHBondContact CG2-OG1 3.28Å
548	Y	95.8	Very high	94.1	Very high	79 Å²	79	56 Å²	56	31%	0.31	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	168.6	173.1	66.4	-83.5	0	0	0	112.7	T546 E550 R583 H676	T546-Y548 VanDerWaalsContact O-CD1 3.29Å; T546-Y548 WeakPolarHBondContact O-CD1 3.39Å; Y548-E550 HydrophobicContact CE2-CB 4.22Å; Y548-R583 HydrophobicContact CD1-CB 4.3Å; Y548-R583 HydrophobicContact CE1-CB 3.88Å; Y548-R583 HydrophobicContact CE2-CB 4.17Å; Y548-R583 HydrophobicContact CE2-CG 4.5Å; Y548-R583 PolarHBondContact N-O 3.42Å; Y548-R583 PolarHBondContact O-N 3.47Å; Y548-R583 WeakPolarHBondContact OH-CD 3.39Å; Y548-H676 HydrophobicContact CE1-CB 3.83Å; Y548-H676 AromaticContact CE1-CG 3.68Å; Y548-H676 AromaticContact CE1-ND1 3.56Å; Y548-H676 AromaticContact CZ-ND1 3.9Å; Y548-H676 PolarHBondContact OH-ND1 2.94Å; Y548-H676 PolarHBondContact OH-O 2.74Å
549	L	97.1	Very high	93.7	Very high	40 Å²	40	57.7 Å²	57.7	21%	0.209	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138	174.2	-64	-177.3	0	0	0	111.4	L581 L582 I685 Y721 I726	L549-L581 WeakPolarHBondContact CA-O 3.45Å; L549-L582 HydrophobicContact CD2-CB 4.23Å; L549-L582 HydrophobicContact CD2-CD1 3.99Å; L549-I685 HydrophobicContact CD2-CD1 3.51Å; L549-I685 HydrophobicContact CD2-CG1 4.46Å; L549-Y721 HydrophobicContact CD1-CD2 4.15Å; L549-Y721 HydrophobicContact CD1-CE2 3.81Å; L549-I726 HydrophobicContact CD1-CB 4.09Å; L549-I726 HydrophobicContact CD1-CG2 4.4Å; L549-I726 HydrophobicContact CD2-CB 4.11Å; L549-I726 HydrophobicContact CD2-CD1 4.31Å; L549-I726 HydrophobicContact CD2-CG2 3.91Å; L549-I726 HydrophobicContact CG-CB 3.97Å; L549-I726 HydrophobicContact CG-CG2 3.74Å
550	E	96.1	Very high	93.3	Very high	43 Å²	43	56.9 Å²	56.9	20%	0.201	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.3	169.6	-169.7	-172.3	-153.5	0	0	109.8	Y548 R552 L581 R583	Y548-E550 HydrophobicContact CE2-CB 4.22Å; E550-R552 VanDerWaalsContact CD-CG 3.43Å; E550-R552 VanDerWaalsContact CD-NE 3.26Å; E550-R552 HydrophobicContact CG-CG 3.86Å; E550-R552 IonicContact OE1-CZ 3.72Å; E550-R552 VanDerWaalsContact OE1-CZ 3.28Å; E550-R552 IonicContact OE1-NE 2.93Å; E550-R552 PolarHBondContact OE1-NE 3.05Å; E550-R552 IonicContact OE1-NH2 3.06Å; E550-R552 PolarHBondContact OE1-NH2 3.39Å; E550-R552 WeakPolarHBondContact OE2-CG 3.09Å; E550-R552 IonicContact OE2-CZ 2.93Å; E550-R552 IonicContact OE2-NE 3.72Å; E550-R552 PolarHBondContact OE2-NE 2.84Å; E550-R552 IonicContact OE2-NH2 3.66Å; E550-L581 PolarHBondContact N-O 2.93Å; E550-L581 PolarHBondContact O-N 2.97Å; E550-R583 IonicContact OE2-CZ 3.35Å; E550-R583 IonicContact OE2-NE 3.43Å; E550-R583 PolarHBondContact OE2-NE 2.89Å; E550-R583 IonicContact OE2-NH2 3.62Å; E550-R583 PolarHBondContact OE2-NH2 3.01Å
551	D	95.6	Very high	93.1	Very high	80 Å²	80	59.2 Å²	59.2	43%	0.428	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.5	168.5	-70.6	-40.3	0	0	0	108.3	Y578 R579 R580	D551-Y578 HydrophobicContact CB-CD1 4.28Å; D551-R579 WeakPolarHBondContact CA-O 3.48Å; D551-R580 WeakPolarHBondContact OD1-CA 3.44Å; D551-R580 VanDerWaalsContact OD1-CB 3.28Å; D551-R580 WeakPolarHBondContact OD1-CB 3.44Å; D551-R580 WeakPolarHBondContact OD1-CG 3.44Å; D551-R580 IonicContact OD1-CZ 3.17Å; D551-R580 IonicContact OD1-NE 2.75Å; D551-R580 PolarHBondContact OD1-NE 3.01Å; D551-R580 IonicContact OD1-NH2 2.76Å; D551-R580 PolarHBondContact OD1-NH2 3.45Å; D551-R580 IonicContact OD2-CZ 3.87Å; D551-R580 IonicContact OD2-NE 3.7Å; D551-R580 IonicContact OD2-NH2 3.22Å; D551-R580 PolarHBondContact OD2-NH2 3.04Å
552	R	94.5	Very high	92.7	Very high	76 Å²	76	58.9 Å²	58.9	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138	179.2	-81.2	-132.2	173.9	161.1	7.4	112.3	E550 L557 Y578 R579 L581	E550-R552 VanDerWaalsContact CD-CG 3.43Å; E550-R552 VanDerWaalsContact CD-NE 3.26Å; E550-R552 HydrophobicContact CG-CG 3.86Å; E550-R552 IonicContact OE1-CZ 3.72Å; E550-R552 VanDerWaalsContact OE1-CZ 3.28Å; E550-R552 IonicContact OE1-NE 2.93Å; E550-R552 PolarHBondContact OE1-NE 3.05Å; E550-R552 IonicContact OE1-NH2 3.06Å; E550-R552 PolarHBondContact OE1-NH2 3.39Å; E550-R552 WeakPolarHBondContact OE2-CG 3.09Å; E550-R552 IonicContact OE2-CZ 2.93Å; E550-R552 IonicContact OE2-NE 3.72Å; E550-R552 PolarHBondContact OE2-NE 2.84Å; E550-R552 IonicContact OE2-NH2 3.66Å; R552-L557 HydrophobicContact CB-CD1 3.99Å; R552-L557 HydrophobicContact CB-CD2 4.17Å; R552-L557 HydrophobicContact CB-CG 4.22Å; R552-Y578 CarbonylContact O-C 3.44Å; R552-Y578 WeakPolarHBondContact O-CA 3.22Å; R552-R579 PolarHBondContact N-O 2.9Å; R552-R579 PolarHBondContact O-N 3.01Å; R552-L581 HydrophobicContact CB-CD1 4.26Å; R552-L581 HydrophobicContact CG-CD1 4.39Å
553	P	94.4	Very high	92	Very high	14 Å²	14	58.2 Å²	58.2	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.9	174.2	31.9	-35.9	0	0	0	110.7	Y555 L556 S577 Y578	P553-Y555 VanDerWaalsContact C-N 3.28Å; P553-Y555 HydrophobicContact CB-CD1 3.64Å; P553-Y555 HydrophobicContact CB-CE1 3.35Å; P553-Y555 HydrophobicContact CG-CD1 4.06Å; P553-Y555 HydrophobicContact CG-CE1 3.44Å; P553-Y555 VanDerWaalsContact CG-CE1 3.44Å; P553-Y555 PolarHBondContact O-N 3.36Å; P553-L556 HydrophobicContact CG-CB 4.41Å; P553-L556 HydrophobicContact CG-CD1 3.66Å; P553-L556 HydrophobicContact CG-CG 3.92Å; P553-L556 PolarHBondContact O-N 3.08Å; P553-S577 CarbonylContact C-O 3.44Å; P553-S577 WeakPolarHBondContact CA-O 3.25Å; P553-Y578 HydrophobicContact CB-CD1 4.37Å; P553-Y578 HydrophobicContact CB-CE1 4.12Å; P553-Y578 HydrophobicContact CG-CE1 4.42Å
554	L	92.4	Very high	91.6	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.094	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-60.8	-34.3	-171.8	-177.8	60.1	0	0	0	113	L556 L557 L566 A570 A573 S577 R579	L554-L556 PolarHBondContact O-N 3.48Å; L554-L556 VanDerWaalsContact O-N 3.13Å; L554-L557 PolarHBondContact O-N 3.36Å; L554-L566 HydrophobicContact CD1-CD1 3.64Å; L554-A570 HydrophobicContact CD1-CB 4.36Å; L554-A573 HydrophobicContact CD2-CB 3.88Å; L554-S577 PolarHBondContact N-O 2.97Å; L554-R579 HydrophobicContact CD1-CG 4.01Å
555	Y	90.3	Very high	91.2	Very high	147 Å²	147	64.7 Å²	64.7	58%	0.576	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.7	177.1	76.5	-94.8	0	0	0	114.2	P553 P575	P553-Y555 VanDerWaalsContact C-N 3.28Å; P553-Y555 HydrophobicContact CB-CD1 3.64Å; P553-Y555 HydrophobicContact CB-CE1 3.35Å; P553-Y555 HydrophobicContact CG-CD1 4.06Å; P553-Y555 HydrophobicContact CG-CE1 3.44Å; P553-Y555 VanDerWaalsContact CG-CE1 3.44Å; P553-Y555 PolarHBondContact O-N 3.36Å; Y555-P575 PolarHBondContact N-O 2.9Å; Y555-P575 VanDerWaalsContact N-O 3.08Å
556	L	91.1	Very high	91	Very high	92 Å²	92	59.1 Å²	59.1	48%	0.482	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-84.9	-9.9	174	-68.8	-179.8	0	0	0	113	P553 L554	P553-L556 HydrophobicContact CG-CB 4.41Å; P553-L556 HydrophobicContact CG-CD1 3.66Å; P553-L556 HydrophobicContact CG-CG 3.92Å; P553-L556 PolarHBondContact O-N 3.08Å; L554-L556 PolarHBondContact O-N 3.48Å; L554-L556 VanDerWaalsContact O-N 3.13Å
557	L	91.3	Very high	90.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	27%	0.271	C	S	.	.			trans	-107.2	22.2	-173.3	-58.3	173.4	0	0	0	112.4	R552 L554 C559 A560 H561 L566 R579 L581 W682	R552-L557 HydrophobicContact CB-CD1 3.99Å; R552-L557 HydrophobicContact CB-CD2 4.17Å; R552-L557 HydrophobicContact CB-CG 4.22Å; L554-L557 PolarHBondContact O-N 3.36Å; L557-C559 VanDerWaalsContact C-N 3.32Å; L557-C559 PolarHBondContact O-N 3.27Å; L557-A560 HydrophobicContact CB-CB 4.48Å; L557-A560 PolarHBondContact O-N 3.4Å; L557-H561 WeakPolarHBondContact O-CB 3.5Å; L557-H561 PolarHBondContact O-N 3.11Å; L557-L566 HydrophobicContact CB-CD1 4.01Å; L557-L566 HydrophobicContact CD1-CD1 4.29Å; L557-L566 HydrophobicContact CD1-CD2 4.07Å; L557-R579 HydrophobicContact CD1-CB 3.81Å; L557-R579 HydrophobicContact CD1-CG 3.75Å; L557-L581 HydrophobicContact CD1-CD1 4.23Å; L557-L581 HydrophobicContact CD2-CD1 4.18Å; L557-W682 HydrophobicContact CD2-CH2 3.98Å; L557-W682 HydrophobicContact CD2-CZ2 4.27Å
558	Q	87.4	Confident	90.5	Very high	129 Å²	129	61.9 Å²	61.9	60%	0.603	30%	0.295	S	S	*	.	H	α-helix	trans	-55.6	-46.5	-176.8	-175.5	178	-13.8	0	0	112.2	H561 E562	Q558-H561 WeakPolarHBondContact O-CB 3.48Å; Q558-H561 PolarHBondContact O-N 3.09Å; Q558-E562 PolarHBondContact NE2-OE1 2.98Å; Q558-E562 WeakPolarHBondContact O-CG 3.38Å; Q558-E562 PolarHBondContact O-N 2.99Å
559	C	85.5	Confident	90.3	Very high	41 Å²	41	60.7 Å²	60.7	28%	0.277	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-50.2	175.8	-89.8	0	0	0	0	112.8	L557 H561 E562 E563 C610	L557-C559 VanDerWaalsContact C-N 3.32Å; L557-C559 PolarHBondContact O-N 3.27Å; C559-H561 PolarHBondContact O-N 3.32Å; C559-E562 PolarHBondContact O-N 3.45Å; C559-E563 PolarHBondContact O-N 3.19Å; C559-C610 WeakPolarHBondContact CA-SG 3.48Å; C559-C610 HydrophobicContact CB-CB 3.48Å; C559-C610 VanDerWaalsContact CB-CB 3.48Å; C559-C610 WeakPolarHBondContact CB-SG 3.29Å; C559-C610 WeakPolarHBondContact SG-CB 3.25Å; C559-C610 CovalentContact SG-SG 2.03Å; C559-C610 PolarHBondContact SG-SG 2.78Å
560	A	87.7	Confident	90	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-27.8	178.6	0	0	0	0	0	113	L557 R564 C565 W682	L557-A560 HydrophobicContact CB-CB 4.48Å; L557-A560 PolarHBondContact O-N 3.4Å; A560-R564 PolarHBondContact O-N 3.37Å; A560-C565 HydrophobicContact CB-CB 4.16Å; A560-C565 WeakPolarHBondContact O-CB 3.31Å; A560-C565 PolarHBondContact O-N 3.37Å; A560-W682 HydrophobicContact CB-CH2 3.75Å; A560-W682 HydrophobicContact CB-CZ2 3.45Å; A560-W682 VanDerWaalsContact CB-CZ2 3.45Å
561	H	87.9	Confident	89.7	Confident	64 Å²	64	61.8 Å²	61.8	30%	0.296	30%	0.303	S	S	.	.	H	α-helix	trans	-71.9	-43.5	174.3	-171.4	-102.5	0	0	0	111.7	L557 Q558 C559 E563 R564 L566 D571	L557-H561 WeakPolarHBondContact O-CB 3.5Å; L557-H561 PolarHBondContact O-N 3.11Å; Q558-H561 WeakPolarHBondContact O-CB 3.48Å; Q558-H561 PolarHBondContact O-N 3.09Å; C559-H561 PolarHBondContact O-N 3.32Å; H561-E563 VanDerWaalsContact C-N 3.28Å; H561-E563 PolarHBondContact O-N 3.3Å; H561-R564 PolarHBondContact O-N 3.45Å; H561-L566 HydrophobicContact CB-CD1 3.95Å; H561-D571 IonicContact CE1-OD1 2.77Å; H561-D571 IonicContact NE2-OD1 3.41Å; H561-D571 PolarHBondContact NE2-OD1 2.82Å
562	E	84.1	Confident	89.5	Confident	122 Å²	122	65.2 Å²	65.2	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-36.4	174.6	-71.1	173	-165.7	0	0	111.8	Q558 C559 R564	Q558-E562 PolarHBondContact NE2-OE1 2.98Å; Q558-E562 WeakPolarHBondContact O-CG 3.38Å; Q558-E562 PolarHBondContact O-N 2.99Å; C559-E562 PolarHBondContact O-N 3.45Å; E562-R564 PolarHBondContact O-N 2.84Å
563	E	80.6	Confident	89.3	Confident	13 Å²	13	63 Å²	63	6%	0.061	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.5	173.8	-72.2	-174.4	-137.7	0	0	114.4	C559 H561 C565 H608 C610 H611 A639 C680	C559-E563 PolarHBondContact O-N 3.19Å; H561-E563 VanDerWaalsContact C-N 3.28Å; H561-E563 PolarHBondContact O-N 3.3Å; E563-C565 VanDerWaalsContact C-N 3.26Å; E563-C565 VanDerWaalsContact CB-SG 3.54Å; E563-C565 PolarHBondContact O-N 3.1Å; E563-H608 WeakPolarHBondContact CG-CE1 3.39Å; E563-H608 WeakPolarHBondContact CG-NE2 3.28Å; E563-H608 IonicContact OE1-CE1 3.18Å; E563-H608 PolarHBondContact OE1-CE1 3.44Å; E563-H608 IonicContact OE1-CG 3.21Å; E563-H608 IonicContact OE1-ND1 3.1Å; E563-H608 PolarHBondContact OE1-ND1 3.44Å; E563-H608 IonicContact OE1-NE2 3.15Å; E563-H608 PolarHBondContact OE1-NE2 3.14Å; E563-C610 WeakPolarHBondContact OE1-CB 3.33Å; E563-H611 IonicContact OE1-CD2 2.69Å; E563-H611 IonicContact OE1-CE1 3.35Å; E563-H611 PolarHBondContact OE1-CE1 3.36Å; E563-H611 VanDerWaalsContact OE1-CE1 3.24Å; E563-H611 IonicContact OE1-ND1 2.87Å; E563-H611 IonicContact OE1-NE2 3.75Å; E563-H611 PolarHBondContact OE1-NE2 3.44Å; E563-H611 IonicContact OE2-CE1 3.2Å; E563-H611 PolarHBondContact OE2-CE1 2.92Å; E563-H611 IonicContact OE2-ND1 3.72Å; E563-H611 IonicContact OE2-NE2 2.73Å; E563-A639 HydrophobicContact CB-CB 4.3Å; E563-C680 PolarHBondContact OE2-SG 2.79Å; E563-C680 VanDerWaalsContact OE2-SG 3.41Å
564	R	87	Confident	89	Confident	203 Å²	203	67 Å²	67	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	28	-177.7	-54.8	-179.1	178.7	165.1	1.8	114.7	A560 H561 E562 L566 H637	A560-R564 PolarHBondContact O-N 3.37Å; H561-R564 PolarHBondContact O-N 3.45Å; E562-R564 PolarHBondContact O-N 2.84Å; R564-L566 VanDerWaalsContact C-N 3.26Å; R564-L566 PolarHBondContact O-N 3.07Å; R564-H637 PolarHBondContact O-CE1 2.63Å
565	C	88.1	Confident	88.8	Confident	4 Å²	4	70.1 Å²	70.1	3%	0.027	36%	0.362	C	S	.	.			trans	-83.2	4	178.8	-53.7	0	0	0	0	114.3	A560 E563 C680 W682	A560-C565 HydrophobicContact CB-CB 4.16Å; A560-C565 WeakPolarHBondContact O-CB 3.31Å; A560-C565 PolarHBondContact O-N 3.37Å; E563-C565 VanDerWaalsContact C-N 3.26Å; E563-C565 VanDerWaalsContact CB-SG 3.54Å; E563-C565 PolarHBondContact O-N 3.1Å; C565-C680 HydrophobicContact CB-CB 3.65Å; C565-C680 WeakPolarHBondContact CB-SG 3.5Å; C565-C680 WeakPolarHBondContact SG-CB 3.21Å; C565-C680 CovalentContact SG-SG 2.02Å; C565-C680 PolarHBondContact SG-SG 3.27Å; C565-W682 PolarHBondContact O-NE1 2.85Å
566	L	91.6	Very high	88.6	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.099	36%	0.359	C	S	.	.	S	Bend	trans	-110.7	158.7	178.2	-59.4	-179.7	0	0	0	110.4	L554 L557 H561 R564 A570 L581 W682	L554-L566 HydrophobicContact CD1-CD1 3.64Å; L557-L566 HydrophobicContact CB-CD1 4.01Å; L557-L566 HydrophobicContact CD1-CD1 4.29Å; L557-L566 HydrophobicContact CD1-CD2 4.07Å; H561-L566 HydrophobicContact CB-CD1 3.95Å; R564-L566 VanDerWaalsContact C-N 3.26Å; R564-L566 PolarHBondContact O-N 3.07Å; L566-A570 HydrophobicContact CB-CB 3.71Å; L566-A570 HydrophobicContact CD1-CB 4.04Å; L566-L581 HydrophobicContact CD2-CD2 4.07Å; L566-W682 HydrophobicContact CD2-CZ2 4.03Å
567	S	91.1	Very high	88.7	Confident	21 Å²	21	64 Å²	64	15%	0.147	35%	0.348	C	S	.	.			trans	-65.2	155.2	176	97.8	0	0	0	0	110.2	T569 A570 R579 D684 D687	S567-T569 PolarHBondContact O-N 3.37Å; S567-T569 PolarHBondContact OG-N 3.32Å; S567-T569 PolarHBondContact OG-OG1 2.65Å; S567-A570 WeakPolarHBondContact O-CB 3.14Å; S567-A570 PolarHBondContact O-N 3.37Å; S567-R579 PolarHBondContact OG-NH2 3.43Å; S567-D684 PolarHBondContact N-OD2 2.75Å; S567-D687 PolarHBondContact OG-OD2 2.88Å
568	S	90.6	Very high	88.9	Confident	94 Å²	94	70.9 Å²	70.9	66%	0.657	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.6	-179.7	56.3	0	0	0	0	114.5	A570	S568-A570 VanDerWaalsContact C-N 3.25Å
569	T	91.3	Very high	89.3	Confident	53 Å²	53	65.1 Å²	65.1	33%	0.325	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.6	172.1	66.7	0	0	0	0	112.6	S567 D571 N572 A573 R579 D687	S567-T569 PolarHBondContact O-N 3.37Å; S567-T569 PolarHBondContact OG-N 3.32Å; S567-T569 PolarHBondContact OG-OG1 2.65Å; T569-D571 VanDerWaalsContact C-N 3.29Å; T569-D571 PolarHBondContact O-N 3.36Å; T569-N572 PolarHBondContact O-N 3.14Å; T569-A573 WeakPolarHBondContact O-CB 3.45Å; T569-A573 PolarHBondContact O-N 3.27Å; T569-R579 PolarHBondContact OG1-NH1 3.27Å; T569-R579 VanDerWaalsContact OG1-NH1 3.09Å; T569-R579 PolarHBondContact OG1-NH2 3.25Å; T569-D687 WeakPolarHBondContact CB-OD2 3.04Å; T569-D687 WeakPolarHBondContact CG2-OD2 3.29Å; T569-D687 VanDerWaalsContact OG1-CG 3.29Å; T569-D687 PolarHBondContact OG1-OD1 3.33Å; T569-D687 PolarHBondContact OG1-OD2 3.18Å
570	A	91.4	Very high	89.8	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-64.5	-33.1	175.4	0	0	0	0	0	112.3	L554 L566 S567 S568 N572 A573	L554-A570 HydrophobicContact CD1-CB 4.36Å; L566-A570 HydrophobicContact CB-CB 3.71Å; L566-A570 HydrophobicContact CD1-CB 4.04Å; S567-A570 WeakPolarHBondContact O-CB 3.14Å; S567-A570 PolarHBondContact O-N 3.37Å; S568-A570 VanDerWaalsContact C-N 3.25Å; A570-N572 PolarHBondContact O-N 3.09Å; A570-N572 VanDerWaalsContact O-N 3.09Å; A570-A573 PolarHBondContact O-N 2.82Å; A570-A573 VanDerWaalsContact O-N 3.1Å
571	D	90.9	Very high	90.2	Very high	104 Å²	104	65.7 Å²	65.7	56%	0.556	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.9	-179.2	-65.9	-27.6	0	0	0	113.2	H561 T569	H561-D571 IonicContact CE1-OD1 2.77Å; H561-D571 IonicContact NE2-OD1 3.41Å; H561-D571 PolarHBondContact NE2-OD1 2.82Å; T569-D571 VanDerWaalsContact C-N 3.29Å; T569-D571 PolarHBondContact O-N 3.36Å
572	N	90.9	Very high	90.6	Very high	152 Å²	152	62.7 Å²	62.7	81%	0.813	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-114.5	6.6	-177	-60.8	-68.5	0	0	0	112.9	T569 A570	T569-N572 PolarHBondContact O-N 3.14Å; A570-N572 PolarHBondContact O-N 3.09Å; A570-N572 VanDerWaalsContact O-N 3.09Å
573	A	89	Confident	91.2	Very high	29 Å²	29	56.9 Å²	56.9	24%	0.24	30%	0.303	C	S	.	.	S	Bend	trans	-81.8	150.8	-177.3	0	0	0	0	0	111.6	L554 T569 A570	L554-A573 HydrophobicContact CD2-CB 3.88Å; T569-A573 WeakPolarHBondContact O-CB 3.45Å; T569-A573 PolarHBondContact O-N 3.27Å; A570-A573 PolarHBondContact O-N 2.82Å; A570-A573 VanDerWaalsContact O-N 3.1Å
574	D	89.6	Confident	91.9	Very high	98 Å²	98	56.3 Å²	56.3	52%	0.524	30%	0.3	S	S	.	.			trans	-61.5	132.3	172.8	-175.4	-30.8	0	0	0	109.4	S576 S577	D574-S576 PolarHBondContact O-N 2.97Å; D574-S576 WeakPolarHBondContact OD1-CB 3.47Å; D574-S576 PolarHBondContact OD1-N 3.05Å; D574-S576 PolarHBondContact OD1-OG 3.34Å; D574-S576 PolarHBondContact OD2-OG 2.97Å; D574-S577 WeakPolarHBondContact O-CB 3.45Å; D574-S577 PolarHBondContact O-N 3.12Å; D574-S577 PolarHBondContact O-OG 3.44Å
575	P	86.6	Confident	92.3	Very high	85 Å²	85	46.9 Å²	46.9	55%	0.552	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.1	175.9	-27.9	35.3	0	0	0	115	Y555	Y555-P575 PolarHBondContact N-O 2.9Å; Y555-P575 VanDerWaalsContact N-O 3.08Å
576	S	87.5	Confident	92.6	Very high	75 Å²	75	46.7 Å²	46.7	52%	0.524	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.7	175.4	67.7	0	0	0	0	114.3	D574	D574-S576 PolarHBondContact O-N 2.97Å; D574-S576 WeakPolarHBondContact OD1-CB 3.47Å; D574-S576 PolarHBondContact OD1-N 3.05Å; D574-S576 PolarHBondContact OD1-OG 3.34Å; D574-S576 PolarHBondContact OD2-OG 2.97Å
577	S	93.2	Very high	92.8	Very high	36 Å²	36	47.3 Å²	47.3	25%	0.252	27%	0.266	S	S	.	.	S	Bend	trans	-70.1	162.7	176.4	72.8	0	0	0	0	111.9	P553 L554 D574	P553-S577 CarbonylContact C-O 3.44Å; P553-S577 WeakPolarHBondContact CA-O 3.25Å; L554-S577 PolarHBondContact N-O 2.97Å; D574-S577 WeakPolarHBondContact O-CB 3.45Å; D574-S577 PolarHBondContact O-N 3.12Å; D574-S577 PolarHBondContact O-OG 3.44Å
578	Y	94.5	Very high	93	Very high	145 Å²	145	46.3 Å²	46.3	57%	0.569	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.5	178.5	-73.4	-105.4	0	0	0	110.4	D551 R552 P553	D551-Y578 HydrophobicContact CB-CD1 4.28Å; R552-Y578 CarbonylContact O-C 3.44Å; R552-Y578 WeakPolarHBondContact O-CA 3.22Å; P553-Y578 HydrophobicContact CB-CD1 4.37Å; P553-Y578 HydrophobicContact CB-CE1 4.12Å; P553-Y578 HydrophobicContact CG-CE1 4.42Å
579	R	95.9	Very high	93.2	Very high	7 Å²	7	44 Å²	44	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.2	168.2	-53.8	-53.2	-61.9	-180	-3.2	108.6	D551 R552 L554 L557 S567 T569 L581 D684 T686 D687	D551-R579 WeakPolarHBondContact CA-O 3.48Å; R552-R579 PolarHBondContact N-O 2.9Å; R552-R579 PolarHBondContact O-N 3.01Å; L554-R579 HydrophobicContact CD1-CG 4.01Å; L557-R579 HydrophobicContact CD1-CB 3.81Å; L557-R579 HydrophobicContact CD1-CG 3.75Å; S567-R579 PolarHBondContact OG-NH2 3.43Å; T569-R579 PolarHBondContact OG1-NH1 3.27Å; T569-R579 VanDerWaalsContact OG1-NH1 3.09Å; T569-R579 PolarHBondContact OG1-NH2 3.25Å; R579-L581 HydrophobicContact CB-CD2 3.96Å; R579-L581 HydrophobicContact CB-CG 4.5Å; R579-D684 IonicContact CZ-OD1 2.8Å; R579-D684 IonicContact CZ-OD2 3.57Å; R579-D684 VanDerWaalsContact CZ-OD2 3.25Å; R579-D684 IonicContact NE-OD1 2.79Å; R579-D684 IonicContact NE-OD2 2.73Å; R579-D684 PolarHBondContact NE-OD2 2.85Å; R579-D684 VanDerWaalsContact NH2-CG 3.32Å; R579-D684 IonicContact NH2-OD1 3.47Å; R579-D684 PolarHBondContact NH2-OD1 2.8Å; R579-D684 IonicContact NH2-OD2 3.99Å; R579-D684 PolarHBondContact NH2-OD2 2.74Å; R579-T686 WeakPolarHBondContact CA-OG1 3.33Å; R579-T686 PolarHBondContact NE-OG1 2.75Å; R579-D687 IonicContact NH2-OD2 3.94Å
580	R	96.1	Very high	93.4	Very high	54 Å²	54	41.4 Å²	41.4	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.2	174.4	-176.6	164	-74.6	175.6	-6.4	109.8	D551 I685 T686 Y721 G723	D551-R580 WeakPolarHBondContact OD1-CA 3.44Å; D551-R580 VanDerWaalsContact OD1-CB 3.28Å; D551-R580 WeakPolarHBondContact OD1-CB 3.44Å; D551-R580 WeakPolarHBondContact OD1-CG 3.44Å; D551-R580 IonicContact OD1-CZ 3.17Å; D551-R580 IonicContact OD1-NE 2.75Å; D551-R580 PolarHBondContact OD1-NE 3.01Å; D551-R580 IonicContact OD1-NH2 2.76Å; D551-R580 PolarHBondContact OD1-NH2 3.45Å; D551-R580 IonicContact OD2-CZ 3.87Å; D551-R580 IonicContact OD2-NE 3.7Å; D551-R580 IonicContact OD2-NH2 3.22Å; D551-R580 PolarHBondContact OD2-NH2 3.04Å; R580-I685 HydrophobicContact CB-CG1 4.26Å; R580-I685 HydrophobicContact CG-CD1 4.04Å; R580-I685 HydrophobicContact CG-CG1 3.73Å; R580-I685 WeakPolarHBondContact O-CG1 3.42Å; R580-I685 PolarHBondContact O-N 2.99Å; R580-T686 PolarHBondContact N-OG1 3.1Å; R580-Y721 VanDerWaalsContact CD-OH 3.24Å; R580-Y721 WeakPolarHBondContact CD-OH 3.45Å; R580-Y721 PolarHBondContact NH1-OH 2.71Å; R580-G723 PolarHBondContact NH1-O 2.71Å
581	L	96.3	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.4	-171.9	-51.3	-179.9	0	0	0	109.6	L549 E550 R552 L557 L566 R579 R583 W682 D684	L549-L581 WeakPolarHBondContact CA-O 3.45Å; E550-L581 PolarHBondContact N-O 2.93Å; E550-L581 PolarHBondContact O-N 2.97Å; R552-L581 HydrophobicContact CB-CD1 4.26Å; R552-L581 HydrophobicContact CG-CD1 4.39Å; L557-L581 HydrophobicContact CD1-CD1 4.23Å; L557-L581 HydrophobicContact CD2-CD1 4.18Å; L566-L581 HydrophobicContact CD2-CD2 4.07Å; R579-L581 HydrophobicContact CB-CD2 3.96Å; R579-L581 HydrophobicContact CB-CG 4.5Å; L581-R583 HydrophobicContact CB-CG 4.43Å; L581-R583 PolarHBondContact O-N 3Å; L581-W682 HydrophobicContact CB-CB 4.09Å; L581-W682 HydrophobicContact CB-CD2 4.4Å; L581-W682 HydrophobicContact CB-CG 4.07Å; L581-W682 HydrophobicContact CD1-CD2 3.91Å; L581-W682 HydrophobicContact CD1-CE3 4.08Å; L581-W682 HydrophobicContact CD1-CG 4.4Å; L581-W682 HydrophobicContact CD1-CH2 4.25Å; L581-W682 HydrophobicContact CD1-CZ2 4.12Å; L581-W682 HydrophobicContact CD1-CZ3 4.23Å; L581-W682 HydrophobicContact CD2-CD2 4.32Å; L581-W682 HydrophobicContact CD2-CG 4.15Å; L581-W682 HydrophobicContact CG-CD2 4.44Å; L581-W682 HydrophobicContact CG-CG 4.43Å; L581-D684 HydrophobicContact CD2-CB 4.21Å
582	L	96.9	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	100.7	168.2	173.9	57.3	0	0	0	108.7	T547 L549 L625 W682 I683 I685 I726	T547-L582 HydrophobicContact CG2-CD1 3.45Å; T547-L582 VanDerWaalsContact CG2-CD1 3.45Å; L549-L582 HydrophobicContact CD2-CB 4.23Å; L549-L582 HydrophobicContact CD2-CD1 3.99Å; L582-L625 HydrophobicContact CD2-CD1 4.37Å; L582-W682 CarbonylContact O-C 3.54Å; L582-W682 WeakPolarHBondContact O-CA 3.22Å; L582-W682 VanDerWaalsContact O-CB 3.25Å; L582-W682 WeakPolarHBondContact O-CB 2.96Å; L582-I683 HydrophobicContact CB-CB 4.43Å; L582-I683 PolarHBondContact N-O 2.81Å; L582-I683 PolarHBondContact O-N 2.89Å; L582-I685 HydrophobicContact CB-CD1 4.26Å; L582-I685 HydrophobicContact CB-CG1 4.33Å; L582-I685 HydrophobicContact CB-CG2 3.92Å; L582-I685 HydrophobicContact CD2-CG2 4.43Å; L582-I726 HydrophobicContact CD1-CD1 3.52Å; L582-I726 HydrophobicContact CD1-CG2 3.84Å; L582-I726 HydrophobicContact CD2-CD1 3.74Å; L582-I726 HydrophobicContact CG-CD1 4.2Å
583	R	95.9	Very high	93.5	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	150.4	-177.9	-71.7	179.8	173.4	-86.7	4.9	111.8	T547 Y548 E550 L581 H676 I678 W682	T547-R583 CarbonylContact C-O 3.59Å; T547-R583 VanDerWaalsContact CA-O 3.22Å; T547-R583 WeakPolarHBondContact CA-O 3.35Å; Y548-R583 HydrophobicContact CD1-CB 4.3Å; Y548-R583 HydrophobicContact CE1-CB 3.88Å; Y548-R583 HydrophobicContact CE2-CB 4.17Å; Y548-R583 HydrophobicContact CE2-CG 4.5Å; Y548-R583 PolarHBondContact N-O 3.42Å; Y548-R583 PolarHBondContact O-N 3.47Å; Y548-R583 WeakPolarHBondContact OH-CD 3.39Å; E550-R583 IonicContact OE2-CZ 3.35Å; E550-R583 IonicContact OE2-NE 3.43Å; E550-R583 PolarHBondContact OE2-NE 2.89Å; E550-R583 IonicContact OE2-NH2 3.62Å; E550-R583 PolarHBondContact OE2-NH2 3.01Å; L581-R583 HydrophobicContact CB-CG 4.43Å; L581-R583 PolarHBondContact O-N 3Å; R583-H676 WeakPolarHBondContact CD-O 3.48Å; R583-H676 PolarHBondContact NH1-O 3.48Å; R583-I678 PolarHBondContact NH1-O 2.86Å; R583-I678 VanDerWaalsContact NH1-O 3.08Å; R583-W682 HydrophobicContact CG-CB 3.95Å; R583-W682 VanDerWaalsContact CZ-CZ3 3.44Å
584	F	96.3	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.			trans	-163	161.4	173.6	55.9	-88.2	0	0	0	109.5	V543 Y623 H676 Q681 I683 L695 V697	V543-F584 HydrophobicContact CG1-CB 4.15Å; V543-F584 HydrophobicContact CG1-CD2 4.04Å; V543-F584 HydrophobicContact CG1-CG 4.2Å; V543-F584 HydrophobicContact CG2-CD2 4.28Å; F584-Y623 HydrophobicContact CE2-CD1 4.21Å; F584-Y623 HydrophobicContact CE2-CE1 4.13Å; F584-Y623 HydrophobicContact CE2-CE2 4.46Å; F584-Y623 HydrophobicContact CE2-CG 4.47Å; F584-Y623 AromaticContact CZ-CD1 3.79Å; F584-Y623 HydrophobicContact CZ-CD1 3.79Å; F584-Y623 AromaticContact CZ-CD2 3.78Å; F584-Y623 HydrophobicContact CZ-CD2 3.78Å; F584-Y623 HydrophobicContact CZ-CE1 4.1Å; F584-Y623 HydrophobicContact CZ-CE2 4.06Å; F584-Y623 AromaticContact CZ-CG 3.64Å; F584-Y623 HydrophobicContact CZ-CG 3.64Å; F584-H676 WeakPolarHBondContact O-CA 3.41Å; F584-Q681 WeakPolarHBondContact O-CG 3.3Å; F584-I683 HydrophobicContact CE1-CG1 4.35Å; F584-L695 HydrophobicContact CD1-CD2 4.5Å; F584-L695 HydrophobicContact CE1-CD1 4.29Å; F584-V697 HydrophobicContact CE2-CG2 3.79Å; F584-V697 HydrophobicContact CZ-CG2 3.96Å
585	S	95.3	Very high	93.9	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.042	16%	0.158	C	C	.	.			trans	-93.7	143.7	173.9	-51.9	0	0	0	0	110.8	V543 T546 Y674 H676	V543-S585 VanDerWaalsContact CG2-O 3.27Å; V543-S585 WeakPolarHBondContact CG2-O 3.49Å; T546-S585 WeakPolarHBondContact OG1-CB 2.94Å; T546-S585 PolarHBondContact OG1-N 2.89Å; T546-S585 PolarHBondContact OG1-OG 3.25Å; S585-Y674 CarbonylContact C-O 3.56Å; S585-Y674 WeakPolarHBondContact CA-O 3.49Å; S585-Y674 WeakPolarHBondContact CB-O 3.18Å; S585-H676 WeakPolarHBondContact OG-CB 2.96Å; S585-H676 PolarHBondContact OG-CD2 3.44Å; S585-H676 PolarHBondContact OG-N 3.2Å
586	S	93.9	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.2	172.4	-65.9	0	0	0	0	109	Y623 Y674 Q681	S586-Y623 PolarHBondContact OG-OH 2.87Å; S586-Y674 PolarHBondContact N-O 2.84Å; S586-Y674 PolarHBondContact O-N 2.86Å; S586-Q681 PolarHBondContact OG-NE2 2.75Å
587	Q	95.1	Very high	94.5	Very high	31 Å²	31	27.1 Å²	27.1	15%	0.145	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.2	171.7	176.6	-179.5	92.1	0	0	108.4	L538 S539 V542 W671 D672 T673	L538-Q587 CarbonylContact C-O 3.47Å; L538-Q587 WeakPolarHBondContact CA-O 3.03Å; S539-Q587 PolarHBondContact N-O 3.39Å; V542-Q587 HydrophobicContact CB-CB 4.46Å; V542-Q587 HydrophobicContact CG1-CB 4.26Å; V542-Q587 HydrophobicContact CG2-CB 4.4Å; Q587-W671 HydrophobicContact CG-CB 4.09Å; Q587-W671 HydrophobicContact CG-CG 3.91Å; Q587-D672 CarbonylContact C-O 3.56Å; Q587-D672 WeakPolarHBondContact CA-O 3.5Å; Q587-T673 HydrophobicContact CB-CG2 4.44Å
588	I	95.3	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.6	-176.4	-58	89.8	0	0	0	108.5	L536 V537 L538 F620 I666 W671 D672 Y674 I699	L536-I588 HydrophobicContact CB-CG2 3.97Å; L536-I588 HydrophobicContact CD1-CG2 4.29Å; L536-I588 HydrophobicContact CD2-CG2 4.12Å; L536-I588 HydrophobicContact CG-CG2 4.37Å; V537-I588 WeakPolarHBondContact O-CA 3.33Å; L538-I588 HydrophobicContact CD1-CD1 4.33Å; L538-I588 HydrophobicContact CD1-CG1 3.97Å; I588-F620 HydrophobicContact CB-CE1 4.46Å; I588-F620 HydrophobicContact CD1-CE1 4.18Å; I588-F620 HydrophobicContact CG1-CE1 4.03Å; I588-F620 HydrophobicContact CG2-CE1 4.33Å; I588-F620 HydrophobicContact CG2-CZ 4.19Å; I588-I666 HydrophobicContact CG2-CD1 4.34Å; I588-W671 CarbonylContact O-C 3.45Å; I588-W671 WeakPolarHBondContact O-CA 3.29Å; I588-W671 VanDerWaalsContact O-CB 3.24Å; I588-W671 WeakPolarHBondContact O-CB 3.29Å; I588-D672 PolarHBondContact N-O 3.24Å; I588-D672 PolarHBondContact O-N 3.17Å; I588-Y674 HydrophobicContact CD1-CD2 4.46Å; I588-I699 HydrophobicContact CB-CD1 4.48Å; I588-I699 HydrophobicContact CG1-CD1 3.9Å; I588-I699 HydrophobicContact CG1-CG1 4.23Å; I588-I699 HydrophobicContact CG2-CD1 3.97Å; I588-I699 HydrophobicContact CG2-CG2 4.34Å
589	Q	94.9	Very high	93.9	Very high	45 Å²	45	25.4 Å²	25.4	21%	0.21	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.2	179.5	-60.3	174.5	1.6	0	0	110.2	L536 V537 W671	L536-Q589 VanDerWaalsContact CA-O 3.29Å; L536-Q589 WeakPolarHBondContact CA-O 3.41Å; V537-Q589 PolarHBondContact N-O 2.81Å; V537-Q589 PolarHBondContact O-N 3.07Å; Q589-W671 HydrophobicContact CB-CB 4.29Å; Q589-W671 HydrophobicContact CG-CB 3.8Å; Q589-W671 HydrophobicContact CG-CG 4.47Å
590	N	95.8	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	98.3	168.2	-179.4	13	0	0	0	110.7	P534 D535 L536 G592 S594 F596 I666 G669 C670	P534-N590 WeakPolarHBondContact CA-OD1 3.24Å; D535-N590 PolarHBondContact N-OD1 3.4Å; D535-N590 VanDerWaalsContact N-OD1 3.1Å; D535-N590 CarbonylContact O-C 3.53Å; D535-N590 WeakPolarHBondContact O-CA 3.38Å; L536-N590 HydrophobicContact CD2-CB 4.03Å; N590-G592 VanDerWaalsContact C-N 3.34Å; N590-G592 PolarHBondContact OD1-N 2.71Å; N590-S594 PolarHBondContact ND2-O 3.03Å; N590-F596 PolarHBondContact ND2-N 3.14Å; N590-I666 HydrophobicContact CB-CB 4.25Å; N590-I666 HydrophobicContact CB-CG2 3.73Å; N590-I666 PolarHBondContact ND2-O 2.92Å; N590-G669 PolarHBondContact O-N 3.07Å; N590-C670 PolarHBondContact N-O 3.14Å
591	N	93.9	Very high	92.6	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.043	14%	0.137	C	C	.	.			trans	-96	9.5	-178	-70.1	9	0	0	0	112.5	G368 Q369 G370 V371 D535	G368-N591 CarbonylContact C-O 3.48Å; G368-N591 WeakPolarHBondContact CA-O 3.36Å; Q369-N591 HydrophobicContact CB-CB 4.02Å; Q369-N591 PolarHBondContact N-O 3.09Å; G370-N591 PolarHBondContact O-ND2 2.76Å; V371-N591 WeakPolarHBondContact CG1-ND2 3.2Å; D535-N591 PolarHBondContact O-N 2.87Å
592	G	91.5	Very high	92	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-80.5	-158.4	-177.2	0	0	0	0	0	113.8	D535 N590 V668	D535-G592 VanDerWaalsContact CB-CA 3.46Å; N590-G592 VanDerWaalsContact C-N 3.34Å; N590-G592 PolarHBondContact OD1-N 2.71Å; G592-V668 VanDerWaalsContact O-CG1 3.22Å; G592-V668 WeakPolarHBondContact O-CG1 3.42Å
593	L	89.6	Confident	91.4	Very high	59 Å²	59	38.9 Å²	38.9	31%	0.309	20%	0.199	S	C	.	.	S	Bend	trans	-111.3	-1	-178.5	-62.9	178.7	0	0	0	113.7	R366 T532 A533	R366-L593 WeakPolarHBondContact O-CD1 3.41Å; R366-L593 WeakPolarHBondContact O-CD2 3.45Å; T532-L593 HydrophobicContact CG2-CB 3.93Å; A533-L593 PolarHBondContact O-N 3.25Å
594	S	92.8	Very high	90.9	Very high	29 Å²	29	42.6 Å²	42.6	20%	0.203	23%	0.225	C	C	.	.	S	Bend	trans	-149.2	158.5	175.9	59	0	0	0	0	111.4	A533 P534 N590 F596 V668	A533-S594 VanDerWaalsContact CA-OG 3.22Å; A533-S594 WeakPolarHBondContact CA-OG 3.46Å; A533-S594 PolarHBondContact N-OG 2.96Å; A533-S594 PolarHBondContact O-N 3.04Å; P534-S594 VanDerWaalsContact CA-O 3.3Å; P534-S594 WeakPolarHBondContact CA-O 3.36Å; P534-S594 WeakPolarHBondContact CB-O 2.98Å; P534-S594 WeakPolarHBondContact CD-OG 3.38Å; N590-S594 PolarHBondContact ND2-O 3.03Å; S594-F596 PolarHBondContact O-N 3.43Å; S594-V668 VanDerWaalsContact CA-CG2 3.46Å; S594-V668 WeakPolarHBondContact O-CG2 3.31Å
595	D	95.1	Very high	90.4	Very high	38 Å²	38	43.7 Å²	43.7	20%	0.203	23%	0.229	C	C	.	.			trans	-58.8	136.3	177.7	-59.5	-9.5	0	0	0	111.2	R655 Y656 I666 T667 V668	D595-R655 IonicContact OD2-NH1 3.86Å; D595-R655 PolarHBondContact OD2-NH1 3.4Å; D595-Y656 HydrophobicContact CB-CE2 3.93Å; D595-Y656 WeakPolarHBondContact CB-OH 3.5Å; D595-Y656 VanDerWaalsContact CG-OH 3.31Å; D595-Y656 PolarHBondContact OD2-OH 3.41Å; D595-I666 CarbonylContact C-O 3.51Å; D595-I666 WeakPolarHBondContact CA-O 3.22Å; D595-T667 WeakPolarHBondContact OD1-CA 2.99Å; D595-V668 PolarHBondContact OD1-N 2.03Å
596	F	94.8	Very high	89.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-74.3	132.4	169.1	-175.4	-91.6	0	0	0	109.1	P534 L536 N590 S594 M617 F620 L643 G665 I666 V705	P534-F596 HydrophobicContact CB-CB 3.76Å; P534-F596 HydrophobicContact CB-CD2 3.97Å; P534-F596 HydrophobicContact CB-CG 4.38Å; P534-F596 HydrophobicContact CG-CB 4.18Å; P534-F596 HydrophobicContact CG-CD2 3.69Å; P534-F596 HydrophobicContact CG-CG 4.39Å; L536-F596 HydrophobicContact CD1-CD1 4.22Å; L536-F596 HydrophobicContact CD1-CD2 3.49Å; L536-F596 VanDerWaalsContact CD1-CD2 3.49Å; L536-F596 HydrophobicContact CD1-CE1 4.16Å; L536-F596 HydrophobicContact CD1-CE2 3.39Å; L536-F596 HydrophobicContact CD1-CG 3.91Å; L536-F596 HydrophobicContact CD1-CZ 3.77Å; L536-F596 HydrophobicContact CD2-CB 3.95Å; L536-F596 HydrophobicContact CD2-CD2 3.98Å; L536-F596 HydrophobicContact CD2-CG 3.97Å; L536-F596 HydrophobicContact CG-CD2 3.75Å; L536-F596 HydrophobicContact CG-CE2 4.09Å; L536-F596 HydrophobicContact CG-CG 4.22Å; N590-F596 PolarHBondContact ND2-N 3.14Å; S594-F596 PolarHBondContact O-N 3.43Å; F596-M617 HydrophobicContact CE1-SD 3.82Å; F596-M617 HydrophobicContact CZ-CE 4.5Å; F596-M617 HydrophobicContact CZ-SD 3.94Å; F596-F620 HydrophobicContact CD1-CE2 4.48Å; F596-F620 HydrophobicContact CE1-CD2 4.4Å; F596-F620 AromaticContact CE1-CE2 3.63Å; F596-F620 HydrophobicContact CE1-CE2 3.63Å; F596-F620 HydrophobicContact CE1-CZ 4.43Å; F596-F620 HydrophobicContact CZ-CD2 4.41Å; F596-F620 AromaticContact CZ-CE2 3.71Å; F596-F620 HydrophobicContact CZ-CE2 3.71Å; F596-L643 HydrophobicContact CD1-CD1 3.99Å; F596-L643 HydrophobicContact CE1-CD1 3.73Å; F596-L643 HydrophobicContact CE1-CD2 4.4Å; F596-G665 CarbonylContact O-C 3.59Å; F596-G665 WeakPolarHBondContact O-CA 3.29Å; F596-I666 HydrophobicContact CB-CB 4.24Å; F596-I666 PolarHBondContact N-O 2.93Å; F596-I666 PolarHBondContact O-N 3.42Å; F596-V705 HydrophobicContact CD2-CB 4.44Å; F596-V705 HydrophobicContact CD2-CG1 3.89Å; F596-V705 HydrophobicContact CE1-CG2 4.39Å; F596-V705 HydrophobicContact CE2-CB 3.5Å; F596-V705 VanDerWaalsContact CE2-CB 3.5Å; F596-V705 HydrophobicContact CE2-CG1 3.42Å; F596-V705 VanDerWaalsContact CE2-CG1 3.42Å; F596-V705 HydrophobicContact CE2-CG2 4.09Å; F596-V705 HydrophobicContact CZ-CB 3.62Å; F596-V705 HydrophobicContact CZ-CG1 3.86Å; F596-V705 HydrophobicContact CZ-CG2 3.67Å
597	R	91.8	Very high	89.3	Confident	107 Å²	107	54 Å²	54	40%	0.404	28%	0.278	S	S	.	.			trans	-133.3	139.9	-175.6	-68	-78.9	-169	144.7	2.6	110.1	Y656 V705	R597-Y656 VanDerWaalsContact CZ-CE1 3.43Å; R597-Y656 PolarHBondContact NE-OH 3.11Å; R597-Y656 PolarHBondContact NH2-OH 3.45Å; R597-V705 WeakPolarHBondContact O-CG2 3.46Å
598	P	89.2	Confident	88.3	Confident	18 Å²	18	54.2 Å²	54.2	12%	0.117	28%	0.278	C	S	.	.			trans	-63.3	140.3	173.5	27.3	-33.5	0	0	0	110.4	A600 W605 M617 L643 Q664	P598-A600 VanDerWaalsContact C-N 3.3Å; P598-A600 PolarHBondContact O-N 3.46Å; P598-W605 HydrophobicContact CG-CZ2 4.02Å; P598-M617 HydrophobicContact CB-CG 4.12Å; P598-L643 HydrophobicContact CB-CD1 4.16Å; P598-L643 HydrophobicContact CG-CD1 4.42Å; P598-Q664 WeakPolarHBondContact CD-O 3.31Å; P598-Q664 HydrophobicContact CG-CB 4.41Å
599	R	85.1	Confident	87.3	Confident	128 Å²	128	62 Å²	62	48%	0.483	32%	0.315	S	S	.	.	S	Bend	trans	-65.6	-35.3	176.1	178.7	178.3	175.6	157.5	3.3	112.1	A474 E704 V705	A474-R599 PolarHBondContact O-NH2 2.76Å; A474-R599 VanDerWaalsContact O-NH2 3.14Å; R599-E704 WeakPolarHBondContact CD-O 3.04Å; R599-V705 HydrophobicContact CB-CG2 4.3Å
600	A	81.4	Confident	86.3	Confident	37 Å²	37	61.5 Å²	61.5	31%	0.306	32%	0.316	S	S	.	.	S	Bend	trans	-75.3	136.1	-176.5	0	0	0	0	0	111.2	P598 W605	P598-A600 VanDerWaalsContact C-N 3.3Å; P598-A600 PolarHBondContact O-N 3.46Å; A600-W605 PolarHBondContact O-NE1 2.96Å
601	S	83.6	Confident	85.2	Confident	55 Å²	55	63.1 Å²	63.1	39%	0.385	32%	0.323	S	S	.	.			trans	-65.7	155.5	173	77.6	0	0	0	0	111	Q603 S604 W605	S601-Q603 PolarHBondContact O-N 3.1Å; S601-S604 WeakPolarHBondContact O-CA 3.18Å; S601-S604 WeakPolarHBondContact O-CB 3.45Å; S601-S604 PolarHBondContact O-N 2.82Å; S601-S604 PolarHBondContact OG-OG 2.69Å; S601-W605 PolarHBondContact O-NE1 3.3Å
602	P	84	Confident	84.5	Confident	64 Å²	64	72.4 Å²	72.4	42%	0.416	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-52.9	-28.4	179	-28.4	35.3	0	0	0	115	S604 W605 F661	P602-S604 PolarHBondContact O-N 3.4Å; P602-W605 HydrophobicContact CB-CD2 4.25Å; P602-W605 HydrophobicContact CB-CE3 4.29Å; P602-W605 HydrophobicContact CB-CH2 4.3Å; P602-W605 HydrophobicContact CB-CZ2 4.25Å; P602-W605 HydrophobicContact CB-CZ3 4.32Å; P602-W605 HydrophobicContact CG-CH2 4.1Å; P602-W605 HydrophobicContact CG-CZ2 3.91Å; P602-W605 PolarHBondContact O-N 3.42Å; P602-F661 HydrophobicContact CB-CE1 4.38Å; P602-F661 HydrophobicContact CB-CZ 4.05Å; P602-F661 WeakPolarHBondContact O-CZ 3.49Å
603	Q	85.1	Confident	84	Confident	188 Å²	188	74.3 Å²	74.3	88%	0.879	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.3	178.2	-59.7	174.6	10.3	0	0	113.4	S601	S601-Q603 PolarHBondContact O-N 3.1Å
604	S	85.1	Confident	83.7	Confident	78 Å²	78	75 Å²	75	55%	0.545	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-98.9	-2.3	179.9	-51.6	0	0	0	0	112.3	S601 P602	S601-S604 WeakPolarHBondContact O-CA 3.18Å; S601-S604 WeakPolarHBondContact O-CB 3.45Å; S601-S604 PolarHBondContact O-N 2.82Å; S601-S604 PolarHBondContact OG-OG 2.69Å; P602-S604 PolarHBondContact O-N 3.4Å
605	W	86.2	Confident	83.1	Confident	24 Å²	24	74 Å²	74	9%	0.091	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.9	139.5	177.4	-60.8	-4.9	0	0	0	110.1	P598 A600 S601 P602 Y614 H615 F661 G662 Q664	P598-W605 HydrophobicContact CG-CZ2 4.02Å; A600-W605 PolarHBondContact O-NE1 2.96Å; S601-W605 PolarHBondContact O-NE1 3.3Å; P602-W605 HydrophobicContact CB-CD2 4.25Å; P602-W605 HydrophobicContact CB-CE3 4.29Å; P602-W605 HydrophobicContact CB-CH2 4.3Å; P602-W605 HydrophobicContact CB-CZ2 4.25Å; P602-W605 HydrophobicContact CB-CZ3 4.32Å; P602-W605 HydrophobicContact CG-CH2 4.1Å; P602-W605 HydrophobicContact CG-CZ2 3.91Å; P602-W605 PolarHBondContact O-N 3.42Å; W605-Y614 HydrophobicContact CB-CD1 3.88Å; W605-Y614 HydrophobicContact CB-CG 4.41Å; W605-H615 WeakPolarHBondContact CA-O 3.34Å; W605-H615 WeakPolarHBondContact CB-O 3.36Å; W605-F661 HydrophobicContact CE3-CD2 4.14Å; W605-F661 AromaticContact CE3-CE2 3.72Å; W605-F661 HydrophobicContact CE3-CE2 3.72Å; W605-F661 HydrophobicContact CE3-CZ 4.4Å; W605-F661 HydrophobicContact CZ3-CD2 4.4Å; W605-F661 HydrophobicContact CZ3-CE2 4.29Å; W605-G662 WeakPolarHBondContact CZ3-O 3.24Å; W605-Q664 HydrophobicContact CH2-CB 3.97Å; W605-Q664 HydrophobicContact CH2-CG 3.84Å; W605-Q664 HydrophobicContact CZ2-CB 4.28Å; W605-Q664 HydrophobicContact CZ2-CG 4.49Å; W605-Q664 HydrophobicContact CZ3-CG 3.9Å
606	V	83.3	Confident	82.6	Confident	97 Å²	97	72.4 Å²	72.4	59%	0.588	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.1	-176.5	-178.3	0	0	0	0	108.6	Y614 H615	V606-Y614 WeakPolarHBondContact O-CA 3.4Å; V606-H615 PolarHBondContact N-O 2.85Å; V606-H615 VanDerWaalsContact N-O 3.13Å; V606-H615 PolarHBondContact O-N 2.84Å
607	W	81.3	Confident	81.9	Confident	126 Å²	126	72.8 Å²	72.8	48%	0.477	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.6	172.8	175.3	-97.2	0	0	0	110	R612 H613 Y614	W607-R612 HydrophobicContact CH2-CB 4.29Å; W607-R612 WeakPolarHBondContact CH2-O 3.49Å; W607-R612 VanDerWaalsContact CZ2-CA 3.47Å; W607-R612 HydrophobicContact CZ2-CB 4.08Å; W607-H613 VanDerWaalsContact CE3-C 3.45Å; W607-Y614 HydrophobicContact CB-CD1 4.05Å; W607-Y614 HydrophobicContact CB-CE1 3.77Å; W607-Y614 HydrophobicContact CD2-CE2 4.42Å; W607-Y614 AromaticContact CE3-CD2 3.4Å; W607-Y614 HydrophobicContact CE3-CD2 3.4Å; W607-Y614 VanDerWaalsContact CE3-CD2 3.4Å; W607-Y614 AromaticContact CE3-CE2 3.47Å; W607-Y614 HydrophobicContact CE3-CE2 3.47Å; W607-Y614 VanDerWaalsContact CE3-CE2 3.47Å; W607-Y614 HydrophobicContact CE3-CG 4.02Å; W607-Y614 AromaticContact CZ3-CD2 3.88Å; W607-Y614 HydrophobicContact CZ3-CD2 3.88Å; W607-Y614 HydrophobicContact CZ3-CE2 4.01Å
608	H	74.4	Confident	81.1	Confident	34 Å²	34	75.4 Å²	75.4	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.2	175.2	-151.8	-78.3	0	0	0	111.6	E563 C610 H611 R612 H613 H615	E563-H608 WeakPolarHBondContact CG-CE1 3.39Å; E563-H608 WeakPolarHBondContact CG-NE2 3.28Å; E563-H608 IonicContact OE1-CE1 3.18Å; E563-H608 PolarHBondContact OE1-CE1 3.44Å; E563-H608 IonicContact OE1-CG 3.21Å; E563-H608 IonicContact OE1-ND1 3.1Å; E563-H608 PolarHBondContact OE1-ND1 3.44Å; E563-H608 IonicContact OE1-NE2 3.15Å; E563-H608 PolarHBondContact OE1-NE2 3.14Å; H608-C610 VanDerWaalsContact C-N 3.31Å; H608-C610 PolarHBondContact ND1-N 2.04Å; H608-C610 PolarHBondContact O-N 2.78Å; H608-H611 HydrophobicContact CB-CB 4.42Å; H608-H611 PolarHBondContact O-N 3.26Å; H608-R612 WeakPolarHBondContact O-CA 3.42Å; H608-R612 PolarHBondContact O-N 3.46Å; H608-H613 PolarHBondContact N-O 2.98Å; H608-H615 WeakPolarHBondContact CB-CE1 3.14Å; H608-H615 VanDerWaalsContact CB-ND1 3.34Å; H608-H615 WeakPolarHBondContact CB-ND1 3.41Å; H608-H615 AromaticContact CD2-CE1 3.84Å; H608-H615 AromaticContact CD2-ND1 3.9Å; H608-H615 AromaticContact CG-CE1 3.28Å; H608-H615 AromaticContact CG-ND1 3.7Å
609	E	74.4	Confident	80.6	Confident	163 Å²	163	76 Å²	76	76%	0.762	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-35	-174.6	-170.5	164.7	-176.3	0	0	112.2	R612	E609-R612 WeakPolarHBondContact O-CG 3.34Å
610	C	74.8	Confident	80.6	Confident	35 Å²	35	69.9 Å²	69.9	24%	0.236	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.2	-179	-61.9	0	0	0	0	112.9	C559 E563 H608	C559-C610 WeakPolarHBondContact CA-SG 3.48Å; C559-C610 HydrophobicContact CB-CB 3.48Å; C559-C610 VanDerWaalsContact CB-CB 3.48Å; C559-C610 WeakPolarHBondContact CB-SG 3.29Å; C559-C610 WeakPolarHBondContact SG-CB 3.25Å; C559-C610 CovalentContact SG-SG 2.03Å; C559-C610 PolarHBondContact SG-SG 2.78Å; E563-C610 WeakPolarHBondContact OE1-CB 3.33Å; H608-C610 VanDerWaalsContact C-N 3.31Å; H608-C610 PolarHBondContact ND1-N 2.04Å; H608-C610 PolarHBondContact O-N 2.78Å
611	H	72.1	Confident	81	Confident	34 Å²	34	68.1 Å²	68.1	16%	0.157	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.1	-178.9	-57.1	157.7	0	0	0	113.9	E563 H608 H613 H615	E563-H611 IonicContact OE1-CD2 2.69Å; E563-H611 IonicContact OE1-CE1 3.35Å; E563-H611 PolarHBondContact OE1-CE1 3.36Å; E563-H611 VanDerWaalsContact OE1-CE1 3.24Å; E563-H611 IonicContact OE1-ND1 2.87Å; E563-H611 IonicContact OE1-NE2 3.75Å; E563-H611 PolarHBondContact OE1-NE2 3.44Å; E563-H611 IonicContact OE2-CE1 3.2Å; E563-H611 PolarHBondContact OE2-CE1 2.92Å; E563-H611 IonicContact OE2-ND1 3.72Å; E563-H611 IonicContact OE2-NE2 2.73Å; H608-H611 HydrophobicContact CB-CB 4.42Å; H608-H611 PolarHBondContact O-N 3.26Å; H611-H613 VanDerWaalsContact CB-CE1 3.44Å; H611-H613 WeakPolarHBondContact CB-CE1 3.42Å; H611-H613 PolarHBondContact O-N 2.96Å; H611-H613 PolarHBondContact O-ND1 3.21Å; H611-H615 AromaticContact ND1-CE1 3.45Å; H611-H615 PolarHBondContact ND1-CE1 3.21Å; H611-H615 AromaticContact ND1-NE2 3.43Å; H611-H615 PolarHBondContact ND1-NE2 2.98Å
612	R	79.9	Confident	81.4	Confident	204 Å²	204	67.5 Å²	67.5	77%	0.77	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.5	178.3	-57.7	-178.2	176.6	-179.8	-0.6	113.6	W607 H608 E609	W607-R612 HydrophobicContact CH2-CB 4.29Å; W607-R612 WeakPolarHBondContact CH2-O 3.49Å; W607-R612 VanDerWaalsContact CZ2-CA 3.47Å; W607-R612 HydrophobicContact CZ2-CB 4.08Å; H608-R612 WeakPolarHBondContact O-CA 3.42Å; H608-R612 PolarHBondContact O-N 3.46Å; E609-R612 WeakPolarHBondContact O-CG 3.34Å
613	H	79.3	Confident	81.8	Confident	43 Å²	43	64.4 Å²	64.4	20%	0.199	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	171.5	170.9	60.8	-102.2	0	0	0	110.8	W607 H608 H611 H615 C642	W607-H613 VanDerWaalsContact CE3-C 3.45Å; H608-H613 PolarHBondContact N-O 2.98Å; H611-H613 VanDerWaalsContact CB-CE1 3.44Å; H611-H613 WeakPolarHBondContact CB-CE1 3.42Å; H611-H613 PolarHBondContact O-N 2.96Å; H611-H613 PolarHBondContact O-ND1 3.21Å; H613-H615 AromaticContact CD2-CD2 3.4Å; H613-H615 PolarHBondContact CD2-CD2 3.26Å; H613-H615 VanDerWaalsContact CD2-CD2 3.4Å; H613-H615 AromaticContact CD2-NE2 3.56Å; H613-H615 AromaticContact NE2-CD2 3.41Å; H613-H615 PolarHBondContact NE2-CD2 2.95Å; H613-H615 AromaticContact NE2-NE2 3.23Å; H613-H615 PolarHBondContact NE2-NE2 3.07Å; H613-C642 WeakPolarHBondContact NE2-CB 3.33Å
614	Y	83.3	Confident	82.2	Confident	73 Å²	73	55.7 Å²	55.7	29%	0.286	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.8	177.4	-81.2	-88.5	0	0	0	111.3	W605 V606 W607 F661 Q664	W605-Y614 HydrophobicContact CB-CD1 3.88Å; W605-Y614 HydrophobicContact CB-CG 4.41Å; V606-Y614 WeakPolarHBondContact O-CA 3.4Å; W607-Y614 HydrophobicContact CB-CD1 4.05Å; W607-Y614 HydrophobicContact CB-CE1 3.77Å; W607-Y614 HydrophobicContact CD2-CE2 4.42Å; W607-Y614 AromaticContact CE3-CD2 3.4Å; W607-Y614 HydrophobicContact CE3-CD2 3.4Å; W607-Y614 VanDerWaalsContact CE3-CD2 3.4Å; W607-Y614 AromaticContact CE3-CE2 3.47Å; W607-Y614 HydrophobicContact CE3-CE2 3.47Å; W607-Y614 VanDerWaalsContact CE3-CE2 3.47Å; W607-Y614 HydrophobicContact CE3-CG 4.02Å; W607-Y614 AromaticContact CZ3-CD2 3.88Å; W607-Y614 HydrophobicContact CZ3-CD2 3.88Å; W607-Y614 HydrophobicContact CZ3-CE2 4.01Å; Y614-F661 HydrophobicContact CD1-CD2 4.24Å; Y614-F661 AromaticContact CD1-CE2 3.74Å; Y614-F661 HydrophobicContact CD1-CE2 3.74Å; Y614-F661 AromaticContact CD2-CD2 3.13Å; Y614-F661 HydrophobicContact CD2-CD2 3.13Å; Y614-F661 AromaticContact CD2-CE2 3.52Å; Y614-F661 HydrophobicContact CD2-CE2 3.52Å; Y614-F661 HydrophobicContact CD2-CG 4.19Å; Y614-F661 HydrophobicContact CE1-CD2 4.42Å; Y614-F661 AromaticContact CE1-CE2 3.85Å; Y614-F661 HydrophobicContact CE1-CE2 3.85Å; Y614-F661 AromaticContact CE2-CD2 3.35Å; Y614-F661 HydrophobicContact CE2-CD2 3.35Å; Y614-F661 AromaticContact CE2-CE2 3.62Å; Y614-F661 HydrophobicContact CE2-CE2 3.62Å; Y614-F661 HydrophobicContact CE2-CG 4.16Å; Y614-F661 AromaticContact CG-CD2 3.61Å; Y614-F661 HydrophobicContact CG-CD2 3.61Å; Y614-F661 AromaticContact CG-CE2 3.56Å; Y614-F661 HydrophobicContact CG-CE2 3.56Å; Y614-F661 AromaticContact CZ-CE2 3.78Å; Y614-Q664 PolarHBondContact O-NE2 3.2Å
615	H	81.8	Confident	82.7	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.7	173.6	-57.9	154	0	0	0	110.2	W605 V606 H608 H611 H613 S640 F641	W605-H615 WeakPolarHBondContact CA-O 3.34Å; W605-H615 WeakPolarHBondContact CB-O 3.36Å; V606-H615 PolarHBondContact N-O 2.85Å; V606-H615 VanDerWaalsContact N-O 3.13Å; V606-H615 PolarHBondContact O-N 2.84Å; H608-H615 WeakPolarHBondContact CB-CE1 3.14Å; H608-H615 VanDerWaalsContact CB-ND1 3.34Å; H608-H615 WeakPolarHBondContact CB-ND1 3.41Å; H608-H615 AromaticContact CD2-CE1 3.84Å; H608-H615 AromaticContact CD2-ND1 3.9Å; H608-H615 AromaticContact CG-CE1 3.28Å; H608-H615 AromaticContact CG-ND1 3.7Å; H611-H615 AromaticContact ND1-CE1 3.45Å; H611-H615 PolarHBondContact ND1-CE1 3.21Å; H611-H615 AromaticContact ND1-NE2 3.43Å; H611-H615 PolarHBondContact ND1-NE2 2.98Å; H613-H615 AromaticContact CD2-CD2 3.4Å; H613-H615 PolarHBondContact CD2-CD2 3.26Å; H613-H615 VanDerWaalsContact CD2-CD2 3.4Å; H613-H615 AromaticContact CD2-NE2 3.56Å; H613-H615 AromaticContact NE2-CD2 3.41Å; H613-H615 PolarHBondContact NE2-CD2 2.95Å; H613-H615 AromaticContact NE2-NE2 3.23Å; H613-H615 PolarHBondContact NE2-NE2 3.07Å; H615-S640 VanDerWaalsContact CE1-CB 3.49Å; H615-S640 WeakPolarHBondContact CE1-CB 3.39Å; H615-S640 PolarHBondContact CE1-OG 2.9Å; H615-S640 WeakPolarHBondContact ND1-CB 3.49Å; H615-S640 PolarHBondContact ND1-OG 3.5Å; H615-S640 PolarHBondContact NE2-O 2.83Å; H615-F641 WeakPolarHBondContact CA-O 3.33Å
616	S	83.3	Confident	83.1	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	24%	0.239	C	C	.	.	S	Bend	trans	-95.7	-11.4	-175.2	63.2	0	0	0	0	113.9	F641 Q664	S616-F641 PolarHBondContact N-O 3.43Å; S616-F641 VanDerWaalsContact N-O 3.15Å; S616-Q664 PolarHBondContact OG-OE1 3.45Å
617	M	80.9	Confident	83.5	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138	172.6	-67.6	-173.9	63	0	0	109.7	F596 P598 F620 S640 F641 L643 E704 V705	F596-M617 HydrophobicContact CE1-SD 3.82Å; F596-M617 HydrophobicContact CZ-CE 4.5Å; F596-M617 HydrophobicContact CZ-SD 3.94Å; P598-M617 HydrophobicContact CB-CG 4.12Å; M617-F620 HydrophobicContact CE-CD2 3.91Å; M617-F620 HydrophobicContact SD-CD2 3.75Å; M617-F620 HydrophobicContact SD-CE2 4.31Å; M617-S640 WeakPolarHBondContact O-CA 3.26Å; M617-F641 PolarHBondContact O-N 2.93Å; M617-L643 HydrophobicContact CG-CD1 4.38Å; M617-L643 HydrophobicContact SD-CD1 4.03Å; M617-E704 HydrophobicContact CE-CB 4.26Å; M617-V705 HydrophobicContact CE-CG2 4.27Å; M617-V705 HydrophobicContact SD-CG2 4.26Å
618	E	74	Confident	83.8	Confident	161 Å²	161	47.1 Å²	47.1	75%	0.752	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	-47.9	-178.5	-169.6	175.8	-178.2	0	0	111.2	S640	E618-S640 PolarHBondContact O-N 3.28Å; E618-S640 VanDerWaalsContact O-N 3.1Å
619	V	80.1	Confident	84.3	Confident	31 Å²	31	52.7 Å²	52.7	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	100.2	177.9	-175.5	0	0	0	0	109.9	P701	V619-P701 HydrophobicContact CG1-CG 4.19Å
620	F	84.2	Confident	84.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-32.9	175.2	-175.4	-116	0	0	0	112.6	L536 I588 F596 M617 F641 L643 I666 I699 N700 P701	L536-F620 HydrophobicContact CD1-CE2 3.63Å; L536-F620 HydrophobicContact CD1-CZ 3.58Å; I588-F620 HydrophobicContact CB-CE1 4.46Å; I588-F620 HydrophobicContact CD1-CE1 4.18Å; I588-F620 HydrophobicContact CG1-CE1 4.03Å; I588-F620 HydrophobicContact CG2-CE1 4.33Å; I588-F620 HydrophobicContact CG2-CZ 4.19Å; F596-F620 HydrophobicContact CD1-CE2 4.48Å; F596-F620 HydrophobicContact CE1-CD2 4.4Å; F596-F620 AromaticContact CE1-CE2 3.63Å; F596-F620 HydrophobicContact CE1-CE2 3.63Å; F596-F620 HydrophobicContact CE1-CZ 4.43Å; F596-F620 HydrophobicContact CZ-CD2 4.41Å; F596-F620 AromaticContact CZ-CE2 3.71Å; F596-F620 HydrophobicContact CZ-CE2 3.71Å; M617-F620 HydrophobicContact CE-CD2 3.91Å; M617-F620 HydrophobicContact SD-CD2 3.75Å; M617-F620 HydrophobicContact SD-CE2 4.31Å; F620-F641 HydrophobicContact CB-CB 4.11Å; F620-F641 HydrophobicContact CB-CD1 4.17Å; F620-F641 HydrophobicContact CB-CD2 3.36Å; F620-F641 HydrophobicContact CB-CE1 4.49Å; F620-F641 HydrophobicContact CB-CE2 3.6Å; F620-F641 HydrophobicContact CB-CG 3.64Å; F620-F641 HydrophobicContact CB-CZ 4.2Å; F620-F641 AromaticContact CD1-CD1 3.4Å; F620-F641 HydrophobicContact CD1-CD1 3.4Å; F620-F641 HydrophobicContact CD1-CD2 4.11Å; F620-F641 AromaticContact CD1-CE1 3.42Å; F620-F641 HydrophobicContact CD1-CE1 3.42Å; F620-F641 VanDerWaalsContact CD1-CE1 3.42Å; F620-F641 AromaticContact CD1-CE2 4Å; F620-F641 HydrophobicContact CD1-CE2 4Å; F620-F641 AromaticContact CD1-CG 3.79Å; F620-F641 HydrophobicContact CD1-CG 3.79Å; F620-F641 AromaticContact CD1-CZ 3.7Å; F620-F641 HydrophobicContact CD1-CZ 3.7Å; F620-F641 HydrophobicContact CE1-CD1 4.07Å; F620-F641 HydrophobicContact CE1-CE1 4.07Å; F620-F641 HydrophobicContact CG-CD1 4.11Å; F620-F641 HydrophobicContact CG-CD2 4.18Å; F620-F641 HydrophobicContact CG-CE1 4.39Å; F620-F641 HydrophobicContact CG-CE2 4.31Å; F620-F641 HydrophobicContact CG-CG 4.03Å; F620-F641 HydrophobicContact CG-CZ 4.45Å; F620-L643 HydrophobicContact CD1-CD2 4.45Å; F620-L643 HydrophobicContact CD2-CD2 4.3Å; F620-L643 HydrophobicContact CE1-CD2 4.13Å; F620-L643 HydrophobicContact CE2-CD2 3.98Å; F620-L643 HydrophobicContact CZ-CD2 3.87Å; F620-I666 HydrophobicContact CZ-CD1 4.44Å; F620-I699 HydrophobicContact CE1-CG2 4.24Å; F620-I699 HydrophobicContact CE2-CG2 4.19Å; F620-I699 HydrophobicContact CZ-CG2 3.94Å; F620-N700 PolarHBondContact O-N 2.88Å; F620-P701 WeakPolarHBondContact O-CD 3.5Å
621	T	89.8	Confident	85.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.4	177.5	61.4	0	0	0	0	113.5	Y623 F641 V698 I699	T621-Y623 HydrophobicContact CG2-CE1 4.34Å; T621-Y623 WeakPolarHBondContact OG1-CE1 3.44Å; T621-Y623 PolarHBondContact OG1-OH 3.38Å; T621-F641 HydrophobicContact CG2-CE2 4.42Å; T621-F641 HydrophobicContact CG2-CZ 3.87Å; T621-F641 VanDerWaalsContact OG1-CZ 3.31Å; T621-F641 WeakPolarHBondContact OG1-CZ 3.31Å; T621-V698 CarbonylContact C-O 3.43Å; T621-V698 WeakPolarHBondContact CA-O 3.48Å; T621-I699 HydrophobicContact CG2-CG1 4.07Å
622	H	91.4	Very high	86.5	Confident	41 Å²	41	53.2 Å²	53.2	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.6	164.9	-77.1	-61.9	0	0	0	110.9	E635 V697 V698 P701	H622-E635 IonicContact CE1-OE1 2.83Å; H622-E635 IonicContact ND1-OE1 3.31Å; H622-V697 WeakPolarHBondContact O-CA 3.38Å; H622-V698 PolarHBondContact N-O 2.98Å; H622-V698 PolarHBondContact O-N 3.43Å; H622-P701 VanDerWaalsContact CD2-CB 3.45Å; H622-P701 WeakPolarHBondContact CD2-CB 3.49Å; H622-P701 WeakPolarHBondContact CD2-CG 3.18Å
623	Y	93.8	Very high	87.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.5	175.7	-53	-30.2	0	0	0	108.7	F584 S586 T621 G636 K638 Q681 V697	F584-Y623 HydrophobicContact CE2-CD1 4.21Å; F584-Y623 HydrophobicContact CE2-CE1 4.13Å; F584-Y623 HydrophobicContact CE2-CE2 4.46Å; F584-Y623 HydrophobicContact CE2-CG 4.47Å; F584-Y623 AromaticContact CZ-CD1 3.79Å; F584-Y623 HydrophobicContact CZ-CD1 3.79Å; F584-Y623 AromaticContact CZ-CD2 3.78Å; F584-Y623 HydrophobicContact CZ-CD2 3.78Å; F584-Y623 HydrophobicContact CZ-CE1 4.1Å; F584-Y623 HydrophobicContact CZ-CE2 4.06Å; F584-Y623 AromaticContact CZ-CG 3.64Å; F584-Y623 HydrophobicContact CZ-CG 3.64Å; S586-Y623 PolarHBondContact OG-OH 2.87Å; T621-Y623 HydrophobicContact CG2-CE1 4.34Å; T621-Y623 WeakPolarHBondContact OG1-CE1 3.44Å; T621-Y623 PolarHBondContact OG1-OH 3.38Å; Y623-G636 CarbonylContact C-O 3.57Å; Y623-G636 WeakPolarHBondContact CA-O 3.48Å; Y623-G636 WeakPolarHBondContact CB-O 3.42Å; Y623-G636 PolarHBondContact N-O 3.41Å; Y623-G636 CarbonylContact O-C 3.59Å; Y623-G636 PolarHBondContact O-N 3.23Å; Y623-K638 HydrophobicContact CE2-CB 3.68Å; Y623-K638 VanDerWaalsContact OH-CB 3.26Å; Y623-K638 WeakPolarHBondContact OH-CB 3.44Å; Y623-Q681 PolarHBondContact OH-NE2 3.47Å; Y623-V697 HydrophobicContact CD1-CB 4.32Å; Y623-V697 HydrophobicContact CD1-CG1 3.8Å; Y623-V697 HydrophobicContact CD1-CG2 3.9Å; Y623-V697 HydrophobicContact CE1-CG1 3.71Å; Y623-V697 HydrophobicContact CE1-CG2 4.37Å
624	D	93.1	Very high	87.9	Confident	5 Å²	5	45 Å²	45	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.9	-176.9	-67.7	-49.4	0	0	0	110.3	L626 K632 Q696	D624-L626 HydrophobicContact CB-CD2 3.81Å; D624-L626 HydrophobicContact CB-CG 4.24Å; D624-K632 WeakPolarHBondContact OD1-CD 3.22Å; D624-K632 VanDerWaalsContact OD1-CE 3.24Å; D624-K632 WeakPolarHBondContact OD1-CE 3.27Å; D624-K632 IonicContact OD1-NZ 2.71Å; D624-K632 PolarHBondContact OD1-NZ 3.21Å; D624-K632 WeakPolarHBondContact OD2-CE 3.17Å; D624-K632 IonicContact OD2-NZ 3.25Å; D624-K632 PolarHBondContact OD2-NZ 3.35Å; D624-Q696 HydrophobicContact CB-CB 4.29Å; D624-Q696 PolarHBondContact N-O 3Å; D624-Q696 PolarHBondContact O-N 2.81Å
625	L	95.5	Very high	88.2	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.9	162.9	-165.7	72.1	0	0	0	108.2	L582 V633 A634 I683 I685 V688 Y693 L695	L582-L625 HydrophobicContact CD2-CD1 4.37Å; L625-V633 PolarHBondContact O-N 3.48Å; L625-A634 HydrophobicContact CB-CB 4.12Å; L625-A634 PolarHBondContact N-O 3.1Å; L625-A634 PolarHBondContact O-N 2.94Å; L625-I683 HydrophobicContact CB-CD1 4.2Å; L625-I685 HydrophobicContact CD2-CG2 4.03Å; L625-V688 HydrophobicContact CD2-CG1 4Å; L625-V688 HydrophobicContact CD2-CG2 4.33Å; L625-Y693 HydrophobicContact CD1-CG 4.41Å; L625-Y693 HydrophobicContact CD2-CD1 4.45Å; L625-Y693 HydrophobicContact CD2-CD2 4.47Å; L625-Y693 HydrophobicContact CD2-CG 4.2Å; L625-Y693 HydrophobicContact CG-CD1 4.38Å; L625-Y693 HydrophobicContact CG-CG 4.16Å; L625-L695 HydrophobicContact CD1-CB 4.45Å
626	L	93.9	Very high	88.4	Confident	18 Å²	18	45.9 Å²	45.9	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.2	-174.6	-50.4	177.6	0	0	0	110.8	D624 T631 K632 Y693 F694 Q696	D624-L626 HydrophobicContact CB-CD2 3.81Å; D624-L626 HydrophobicContact CB-CG 4.24Å; L626-T631 CarbonylContact C-O 3.54Å; L626-T631 WeakPolarHBondContact CA-O 3.49Å; L626-K632 HydrophobicContact CD2-CB 4.19Å; L626-K632 HydrophobicContact CD2-CG 3.52Å; L626-Y693 CarbonylContact O-C 3.57Å; L626-Y693 VanDerWaalsContact O-CA 3.27Å; L626-Y693 WeakPolarHBondContact O-CA 3.16Å; L626-Y693 WeakPolarHBondContact O-CB 3.43Å; L626-F694 HydrophobicContact CB-CB 4.25Å; L626-F694 PolarHBondContact N-O 3.33Å; L626-F694 PolarHBondContact O-N 3.37Å; L626-Q696 HydrophobicContact CD1-CB 4.13Å
627	S	91.6	Very high	88.2	Confident	19 Å²	19	47.7 Å²	47.7	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	167.1	165.8	77.2	0	0	0	0	110.6	N629 G630 T631	S627-N629 PolarHBondContact O-N 3.46Å; S627-N629 PolarHBondContact OG-N 2.86Å; S627-G630 PolarHBondContact O-N 3.49Å; S627-T631 WeakPolarHBondContact CB-OG1 3.43Å; S627-T631 PolarHBondContact N-O 3.4Å; S627-T631 PolarHBondContact OG-N 3.5Å; S627-T631 PolarHBondContact OG-OG1 2.82Å
628	L	87.5	Confident	88	Confident	104 Å²	104	47.3 Å²	47.3	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.1	172	-60.7	-178.8	0	0	0	113.6	G630 D692 F694	L628-G630 VanDerWaalsContact C-N 3.32Å; L628-D692 HydrophobicContact CD1-CB 4.2Å; L628-D692 HydrophobicContact CD2-CB 4.28Å; L628-D692 HydrophobicContact CG-CB 4.42Å; L628-F694 HydrophobicContact CD2-CD2 4.19Å; L628-F694 HydrophobicContact CD2-CE2 3.69Å; L628-F694 HydrophobicContact CD2-CZ 4.16Å
629	N	86.9	Confident	87.3	Confident	151 Å²	151	40.1 Å²	40.1	81%	0.807	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2.6	175.9	-61.6	-21.5	0	0	0	112.8	S627 T631	S627-N629 PolarHBondContact O-N 3.46Å; S627-N629 PolarHBondContact OG-N 2.86Å; N629-T631 VanDerWaalsContact C-N 3.34Å; N629-T631 PolarHBondContact O-N 3.42Å
630	G	84.8	Confident	86.3	Confident	49 Å²	49	39.4 Å²	39.4	51%	0.505	22%	0.222	S	C	.	.	S	Bend	trans	80.5	7.3	-179.3	0	0	0	0	0	115	S627 L628	S627-G630 PolarHBondContact O-N 3.49Å; L628-G630 VanDerWaalsContact C-N 3.32Å
631	T	90.7	Very high	85.7	Confident	81 Å²	81	39.4 Å²	39.4	50%	0.497	22%	0.222	S	C	.	.			trans	-81.5	134.1	176.5	62.6	0	0	0	0	110.5	L626 S627 N629 V633	L626-T631 CarbonylContact C-O 3.54Å; L626-T631 WeakPolarHBondContact CA-O 3.49Å; S627-T631 WeakPolarHBondContact CB-OG1 3.43Å; S627-T631 PolarHBondContact N-O 3.4Å; S627-T631 PolarHBondContact OG-N 3.5Å; S627-T631 PolarHBondContact OG-OG1 2.82Å; N629-T631 VanDerWaalsContact C-N 3.34Å; N629-T631 PolarHBondContact O-N 3.42Å; T631-V633 PolarHBondContact O-N 3.18Å
632	K	91.5	Very high	85.4	Confident	113 Å²	113	39.8 Å²	39.8	49%	0.491	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	125.7	172.3	-65	-173	178.2	-148.3	0	110.7	D624 L626	D624-K632 WeakPolarHBondContact OD1-CD 3.22Å; D624-K632 VanDerWaalsContact OD1-CE 3.24Å; D624-K632 WeakPolarHBondContact OD1-CE 3.27Å; D624-K632 IonicContact OD1-NZ 2.71Å; D624-K632 PolarHBondContact OD1-NZ 3.21Å; D624-K632 WeakPolarHBondContact OD2-CE 3.17Å; D624-K632 IonicContact OD2-NZ 3.25Å; D624-K632 PolarHBondContact OD2-NZ 3.35Å; L626-K632 HydrophobicContact CD2-CB 4.19Å; L626-K632 HydrophobicContact CD2-CG 3.52Å
633	V	94.4	Very high	85.4	Confident	62 Å²	62	37.8 Å²	37.8	38%	0.376	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-37	179.7	-176.2	0	0	0	0	110.9	L625 T631 V688 Y693	L625-V633 PolarHBondContact O-N 3.48Å; T631-V633 PolarHBondContact O-N 3.18Å; V633-V688 HydrophobicContact CG1-CG1 4.24Å; V633-V688 HydrophobicContact CG1-CG2 4.38Å; V633-Y693 HydrophobicContact CB-CE1 4.38Å; V633-Y693 HydrophobicContact CG1-CE1 4.13Å; V633-Y693 HydrophobicContact CG2-CD1 4.34Å; V633-Y693 HydrophobicContact CG2-CE1 4.12Å
634	A	93.5	Very high	85.3	Confident	14 Å²	14	40.7 Å²	40.7	12%	0.116	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.2	166.5	0	0	0	0	0	108.9	L625 I683 V688	L625-A634 HydrophobicContact CB-CB 4.12Å; L625-A634 PolarHBondContact N-O 3.1Å; L625-A634 PolarHBondContact O-N 2.94Å; A634-I683 HydrophobicContact CB-CG2 3.66Å; A634-V688 HydrophobicContact CB-CG2 3.72Å
635	E	90.1	Very high	85.5	Confident	96 Å²	96	40.7 Å²	40.7	45%	0.449	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.3	174.8	-179.3	171.7	-178.5	0	0	107.4	H622	H622-E635 IonicContact CE1-OE1 2.83Å; H622-E635 IonicContact ND1-OE1 3.31Å
636	G	84.9	Confident	85.4	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	166.9	161.8	0	0	0	0	0	107.8	Y623	Y623-G636 CarbonylContact C-O 3.57Å; Y623-G636 WeakPolarHBondContact CA-O 3.48Å; Y623-G636 WeakPolarHBondContact CB-O 3.42Å; Y623-G636 PolarHBondContact N-O 3.41Å; Y623-G636 CarbonylContact O-C 3.59Å; Y623-G636 PolarHBondContact O-N 3.23Å
637	H	79.9	Confident	85.4	Confident	43 Å²	43	46.8 Å²	46.8	20%	0.199	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.9	168	56.2	-75.6	0	0	0	106.3	R564 A639	R564-H637 PolarHBondContact O-CE1 2.63Å; H637-A639 PolarHBondContact CD2-N 2.02Å; H637-A639 PolarHBondContact O-N 2.64Å
638	K	76.3	Confident	85.4	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	96	161.2	-178.4	66.9	164.4	-138	0	105.6	Y623 S640 F641 D679 C680	Y623-K638 HydrophobicContact CE2-CB 3.68Å; Y623-K638 VanDerWaalsContact OH-CB 3.26Å; Y623-K638 WeakPolarHBondContact OH-CB 3.44Å; K638-S640 PolarHBondContact O-N 2.96Å; K638-S640 VanDerWaalsContact O-N 3.11Å; K638-F641 HydrophobicContact CB-CD2 4.27Å; K638-F641 HydrophobicContact CB-CE2 3.27Å; K638-F641 HydrophobicContact CB-CZ 3.51Å; K638-F641 HydrophobicContact CG-CD2 3.77Å; K638-F641 HydrophobicContact CG-CE1 4.12Å; K638-F641 HydrophobicContact CG-CE2 3.11Å; K638-F641 HydrophobicContact CG-CZ 3.29Å; K638-F641 WeakPolarHBondContact O-CE2 3.41Å; K638-D679 PolarHBondContact NZ-O 3.22Å; K638-C680 HydrophobicContact CD-CB 3.78Å
639	A	58.8	Low	85.3	Confident	10 Å²	10	43.7 Å²	43.7	8%	0.083	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	117.9	167.5	0	0	0	0	0	105.2	E563 H637	E563-A639 HydrophobicContact CB-CB 4.3Å; H637-A639 PolarHBondContact CD2-N 2.02Å; H637-A639 PolarHBondContact O-N 2.64Å
640	S	60.8	Low	85	Confident	16 Å²	16	45.7 Å²	45.7	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	112.7	154.8	70.3	0	0	0	0	116.7	H615 M617 E618 K638	H615-S640 VanDerWaalsContact CE1-CB 3.49Å; H615-S640 WeakPolarHBondContact CE1-CB 3.39Å; H615-S640 PolarHBondContact CE1-OG 2.9Å; H615-S640 WeakPolarHBondContact ND1-CB 3.49Å; H615-S640 PolarHBondContact ND1-OG 3.5Å; H615-S640 PolarHBondContact NE2-O 2.83Å; M617-S640 WeakPolarHBondContact O-CA 3.26Å; E618-S640 PolarHBondContact O-N 3.28Å; E618-S640 VanDerWaalsContact O-N 3.1Å; K638-S640 PolarHBondContact O-N 2.96Å; K638-S640 VanDerWaalsContact O-N 3.11Å
641	F	71.1	Confident	84.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137	-168.3	-85.7	-111.9	0	0	0	112.7	H615 S616 M617 F620 T621 K638 L643 Y674	H615-F641 WeakPolarHBondContact CA-O 3.33Å; S616-F641 PolarHBondContact N-O 3.43Å; S616-F641 VanDerWaalsContact N-O 3.15Å; M617-F641 PolarHBondContact O-N 2.93Å; F620-F641 HydrophobicContact CB-CB 4.11Å; F620-F641 HydrophobicContact CB-CD1 4.17Å; F620-F641 HydrophobicContact CB-CD2 3.36Å; F620-F641 HydrophobicContact CB-CE1 4.49Å; F620-F641 HydrophobicContact CB-CE2 3.6Å; F620-F641 HydrophobicContact CB-CG 3.64Å; F620-F641 HydrophobicContact CB-CZ 4.2Å; F620-F641 AromaticContact CD1-CD1 3.4Å; F620-F641 HydrophobicContact CD1-CD1 3.4Å; F620-F641 HydrophobicContact CD1-CD2 4.11Å; F620-F641 AromaticContact CD1-CE1 3.42Å; F620-F641 HydrophobicContact CD1-CE1 3.42Å; F620-F641 VanDerWaalsContact CD1-CE1 3.42Å; F620-F641 AromaticContact CD1-CE2 4Å; F620-F641 HydrophobicContact CD1-CE2 4Å; F620-F641 AromaticContact CD1-CG 3.79Å; F620-F641 HydrophobicContact CD1-CG 3.79Å; F620-F641 AromaticContact CD1-CZ 3.7Å; F620-F641 HydrophobicContact CD1-CZ 3.7Å; F620-F641 HydrophobicContact CE1-CD1 4.07Å; F620-F641 HydrophobicContact CE1-CE1 4.07Å; F620-F641 HydrophobicContact CG-CD1 4.11Å; F620-F641 HydrophobicContact CG-CD2 4.18Å; F620-F641 HydrophobicContact CG-CE1 4.39Å; F620-F641 HydrophobicContact CG-CE2 4.31Å; F620-F641 HydrophobicContact CG-CG 4.03Å; F620-F641 HydrophobicContact CG-CZ 4.45Å; T621-F641 HydrophobicContact CG2-CE2 4.42Å; T621-F641 HydrophobicContact CG2-CZ 3.87Å; T621-F641 VanDerWaalsContact OG1-CZ 3.31Å; T621-F641 WeakPolarHBondContact OG1-CZ 3.31Å; K638-F641 HydrophobicContact CB-CD2 4.27Å; K638-F641 HydrophobicContact CB-CE2 3.27Å; K638-F641 HydrophobicContact CB-CZ 3.51Å; K638-F641 HydrophobicContact CG-CD2 3.77Å; K638-F641 HydrophobicContact CG-CE1 4.12Å; K638-F641 HydrophobicContact CG-CE2 3.11Å; K638-F641 HydrophobicContact CG-CZ 3.29Å; K638-F641 WeakPolarHBondContact O-CE2 3.41Å; F641-L643 HydrophobicContact CB-CD2 4.44Å; F641-Y674 WeakPolarHBondContact CA-OH 2.96Å; F641-Y674 AromaticContact CD1-CD2 3.84Å; F641-Y674 HydrophobicContact CD1-CD2 3.84Å; F641-Y674 AromaticContact CD1-CE1 3.87Å; F641-Y674 HydrophobicContact CD1-CE1 3.87Å; F641-Y674 AromaticContact CD1-CE2 3.13Å; F641-Y674 HydrophobicContact CD1-CE2 3.13Å; F641-Y674 HydrophobicContact CD1-CG 4.46Å; F641-Y674 AromaticContact CD1-CZ 3.12Å; F641-Y674 WeakPolarHBondContact CD1-OH 3.26Å; F641-Y674 HydrophobicContact CE1-CD1 4.15Å; F641-Y674 AromaticContact CE1-CD2 3.45Å; F641-Y674 HydrophobicContact CE1-CD2 3.45Å; F641-Y674 VanDerWaalsContact CE1-CD2 3.45Å; F641-Y674 AromaticContact CE1-CE1 3.97Å; F641-Y674 HydrophobicContact CE1-CE1 3.97Å; F641-Y674 AromaticContact CE1-CE2 3.29Å; F641-Y674 HydrophobicContact CE1-CE2 3.29Å; F641-Y674 AromaticContact CE1-CG 3.88Å; F641-Y674 HydrophobicContact CE1-CG 3.88Å; F641-Y674 AromaticContact CE1-CZ 3.54Å; F641-Y674 HydrophobicContact CG-CE1 4.45Å; F641-Y674 HydrophobicContact CG-CE2 4.28Å; F641-Y674 AromaticContact CG-CZ 3.89Å
642	C	83.9	Confident	84.7	Confident	7 Å²	7	46.5 Å²	46.5	5%	0.047	26%	0.257	C	S	.	.			trans	-75	132.1	148.5	156.5	0	0	0	0	109.1	H613 C658 Y674	H613-C642 WeakPolarHBondContact NE2-CB 3.33Å; C642-C658 WeakPolarHBondContact CA-SG 3.33Å; C642-C658 HydrophobicContact CB-CB 3.72Å; C642-C658 WeakPolarHBondContact CB-SG 3.41Å; C642-C658 WeakPolarHBondContact SG-CB 3.04Å; C642-C658 CovalentContact SG-SG 1.99Å; C642-C658 PolarHBondContact SG-SG 3.23Å; C642-Y674 WeakPolarHBondContact CA-OH 3.45Å; C642-Y674 PolarHBondContact N-OH 2.9Å; C642-Y674 PolarHBondContact O-OH 2.96Å
643	L	90.3	Very high	84.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.			trans	-106.1	110.8	169.7	-58.8	167.8	0	0	0	108.2	F596 P598 M617 F620 F641 C658 Q664 G665 I666 D672	F596-L643 HydrophobicContact CD1-CD1 3.99Å; F596-L643 HydrophobicContact CE1-CD1 3.73Å; F596-L643 HydrophobicContact CE1-CD2 4.4Å; P598-L643 HydrophobicContact CB-CD1 4.16Å; P598-L643 HydrophobicContact CG-CD1 4.42Å; M617-L643 HydrophobicContact CG-CD1 4.38Å; M617-L643 HydrophobicContact SD-CD1 4.03Å; F620-L643 HydrophobicContact CD1-CD2 4.45Å; F620-L643 HydrophobicContact CD2-CD2 4.3Å; F620-L643 HydrophobicContact CE1-CD2 4.13Å; F620-L643 HydrophobicContact CE2-CD2 3.98Å; F620-L643 HydrophobicContact CZ-CD2 3.87Å; F641-L643 HydrophobicContact CB-CD2 4.44Å; L643-C658 PolarHBondContact N-SG 2.94Å; L643-Q664 HydrophobicContact CB-CB 4.15Å; L643-Q664 VanDerWaalsContact N-OE1 3.09Å; L643-Q664 CarbonylContact O-C 3.39Å; L643-Q664 VanDerWaalsContact O-CA 3.23Å; L643-Q664 WeakPolarHBondContact O-CA 3.49Å; L643-Q664 WeakPolarHBondContact O-CB 2.9Å; L643-G665 CarbonylContact C-O 3.52Å; L643-G665 VanDerWaalsContact C-O 3.23Å; L643-G665 PolarHBondContact O-N 3.47Å; L643-I666 HydrophobicContact CB-CG1 4.49Å; L643-I666 HydrophobicContact CD2-CD1 4.34Å; L643-D672 WeakPolarHBondContact CA-OD2 3.34Å
644	E	92.6	Very high	84.6	Confident	61 Å²	61	52.2 Å²	52.2	29%	0.285	28%	0.279	S	S	.	.			trans	-142.6	163.5	-179.4	69.9	177.5	-162.1	0	0	114.5	T646 C658 G665 D672	E644-T646 PolarHBondContact O-N 2.84Å; E644-C658 PolarHBondContact OE2-N 3.46Å; E644-G665 WeakPolarHBondContact CA-O 3.47Å; E644-G665 PolarHBondContact N-O 3.16Å; E644-D672 PolarHBondContact N-OD2 2.96Å; E644-D672 VanDerWaalsContact O-CB 3.32Å; E644-D672 WeakPolarHBondContact O-CB 3.05Å
645	D	96.1	Very high	84.7	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.027	30%	0.303	C	S	.	.			trans	-88	87.1	177.5	-59.5	-43	0	0	0	110.6	H647 K654 R655 Y656 T667 C670	D645-H647 VanDerWaalsContact C-N 3.35Å; D645-H647 PolarHBondContact O-N 3.02Å; D645-K654 HydrophobicContact CB-CB 3.86Å; D645-K654 HydrophobicContact CB-CG 3.88Å; D645-K654 WeakPolarHBondContact O-CD 3.13Å; D645-K654 WeakPolarHBondContact O-CE 2.95Å; D645-K654 PolarHBondContact O-NZ 3.41Å; D645-R655 WeakPolarHBondContact OD2-CA 3.25Å; D645-R655 PolarHBondContact OD2-N 3.34Å; D645-Y656 PolarHBondContact N-O 2.64Å; D645-Y656 WeakPolarHBondContact OD2-CD2 3.4Å; D645-Y656 PolarHBondContact OD2-N 3.37Å; D645-T667 PolarHBondContact OD1-N 2.95Å; D645-T667 PolarHBondContact OD2-OG1 3.31Å; D645-C670 HydrophobicContact CB-CB 4.17Å; D645-C670 WeakPolarHBondContact OD1-CB 3.4Å
646	T	93.9	Very high	84.9	Confident	46 Å²	46	55 Å²	55	28%	0.282	28%	0.283	S	S	.	.	S	Bend	trans	-65.2	-39	178.7	-59.7	0	0	0	0	111.8	E644 K654 W671 D672 T673	E644-T646 PolarHBondContact O-N 2.84Å; T646-K654 WeakPolarHBondContact O-CE 3.1Å; T646-K654 PolarHBondContact O-NZ 3.39Å; T646-W671 WeakPolarHBondContact CB-O 3.03Å; T646-W671 PolarHBondContact N-O 3.08Å; T646-D672 PolarHBondContact OG1-OD1 3.15Å; T646-T673 PolarHBondContact OG1-N 3Å
647	H	94.6	Very high	85.2	Confident	102 Å²	102	60.8 Å²	60.8	47%	0.472	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	161.6	171.8	-163.2	90.3	0	0	0	109.4	D645 C670 W671	D645-H647 VanDerWaalsContact C-N 3.35Å; D645-H647 PolarHBondContact O-N 3.02Å; H647-C670 WeakPolarHBondContact O-CA 3.4Å; H647-C670 WeakPolarHBondContact O-CB 3.4Å; H647-W671 HydrophobicContact CB-CD2 4.41Å; H647-W671 HydrophobicContact CB-CH2 4.41Å; H647-W671 HydrophobicContact CB-CZ2 3.59Å; H647-W671 AromaticContact CD2-CH2 3.41Å; H647-W671 VanDerWaalsContact CD2-CH2 3.41Å; H647-W671 WeakPolarHBondContact CD2-CH2 3.39Å; H647-W671 AromaticContact CD2-CZ2 3.25Å; H647-W671 WeakPolarHBondContact CD2-CZ2 3.32Å; H647-W671 AromaticContact CG-CZ2 3.7Å; H647-W671 PolarHBondContact N-O 2.98Å; H647-W671 PolarHBondContact O-N 2.83Å
648	C	91.7	Very high	85.6	Confident	11 Å²	11	59 Å²	59	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.2	179.6	-51.1	0	0	0	0	110.5	I652 G669 C670	C648-I652 HydrophobicContact CB-CB 3.85Å; C648-I652 HydrophobicContact CB-CG2 3.87Å; C648-G669 WeakPolarHBondContact CA-O 3.49Å; C648-C670 HydrophobicContact CB-CB 3.94Å; C648-C670 WeakPolarHBondContact CB-SG 3.48Å; C648-C670 WeakPolarHBondContact SG-CB 3.18Å; C648-C670 CovalentContact SG-SG 2.04Å; C648-C670 PolarHBondContact SG-SG 3.12Å
649	D	84.6	Confident	86.1	Confident	48 Å²	48	61.1 Å²	61.1	26%	0.257	32%	0.319	S	S	.	.			trans	-58.9	160.7	172.3	-63.8	-42.2	0	0	0	112.1	G651 I652 G669 W671	D649-G651 PolarHBondContact O-N 3.22Å; D649-I652 HydrophobicContact CB-CD1 4.07Å; D649-I652 PolarHBondContact O-N 2.02Å; D649-G669 PolarHBondContact N-O 2.92Å; D649-W671 WeakPolarHBondContact OD1-CZ3 3.2Å
650	E	80.8	Confident	87.4	Confident	193 Å²	193	68.6 Å²	68.6	90%	0.902	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.4	-176.2	-67.7	-167.5	170.3	0	0	111.7	I652	E650-I652 VanDerWaalsContact C-N 3.33Å
651	G	82.6	Confident	88.6	Confident	86 Å²	86	72.5 Å²	72.5	89%	0.887	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-6.2	-179.2	0	0	0	0	0	115	D649	D649-G651 PolarHBondContact O-N 3.22Å
652	I	86.7	Confident	89.4	Confident	60 Å²	60	73.6 Å²	73.6	31%	0.308	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-94	132.9	174.3	-56.2	-177.5	0	0	0	110.1	C648 D649 E650 T667	C648-I652 HydrophobicContact CB-CB 3.85Å; C648-I652 HydrophobicContact CB-CG2 3.87Å; D649-I652 HydrophobicContact CB-CD1 4.07Å; D649-I652 PolarHBondContact O-N 2.02Å; E650-I652 VanDerWaalsContact C-N 3.33Å; I652-T667 HydrophobicContact CG2-CG2 4.16Å
653	Q	90.8	Very high	89.7	Confident	172 Å²	172	76.8 Å²	76.8	80%	0.804	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-95	134.1	177.8	-67.6	-173.9	-7.7	0	0	111.2
654	K	93.5	Very high	89.8	Confident	123 Å²	123	77 Å²	77	54%	0.535	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60	140.2	169.6	-62.9	176.5	170.6	-165.3	0	111.1	D645 T646	D645-K654 HydrophobicContact CB-CB 3.86Å; D645-K654 HydrophobicContact CB-CG 3.88Å; D645-K654 WeakPolarHBondContact O-CD 3.13Å; D645-K654 WeakPolarHBondContact O-CE 2.95Å; D645-K654 PolarHBondContact O-NZ 3.41Å; T646-K654 WeakPolarHBondContact O-CE 3.1Å; T646-K654 PolarHBondContact O-NZ 3.39Å
655	R	94.3	Very high	89.9	Confident	162 Å²	162	74 Å²	74	61%	0.611	39%	0.394	S	S	*	.			trans	-127.9	-36.9	-176	-174.1	179	-175.6	177	7.7	113.5	D595 D645	D595-R655 IonicContact OD2-NH1 3.86Å; D595-R655 PolarHBondContact OD2-NH1 3.4Å; D645-R655 WeakPolarHBondContact OD2-CA 3.25Å; D645-R655 PolarHBondContact OD2-N 3.34Å
656	Y	94.4	Very high	89.8	Confident	6 Å²	6	73.8 Å²	73.8	2%	0.024	39%	0.392	C	S	.	.			trans	-101.2	136.1	-175.9	-57.4	-68.2	0	0	0	111.1	D595 R597 D645 S663 G665 T667	D595-Y656 HydrophobicContact CB-CE2 3.93Å; D595-Y656 WeakPolarHBondContact CB-OH 3.5Å; D595-Y656 VanDerWaalsContact CG-OH 3.31Å; D595-Y656 PolarHBondContact OD2-OH 3.41Å; R597-Y656 VanDerWaalsContact CZ-CE1 3.43Å; R597-Y656 PolarHBondContact NE-OH 3.11Å; R597-Y656 PolarHBondContact NH2-OH 3.45Å; D645-Y656 PolarHBondContact N-O 2.64Å; D645-Y656 WeakPolarHBondContact OD2-CD2 3.4Å; D645-Y656 PolarHBondContact OD2-N 3.37Å; Y656-S663 WeakPolarHBondContact CD1-O 3.35Å; Y656-G665 WeakPolarHBondContact CB-O 3.37Å; Y656-G665 VanDerWaalsContact CD2-O 3.32Å; Y656-G665 WeakPolarHBondContact CD2-O 3.35Å; Y656-T667 WeakPolarHBondContact CD2-OG1 3.04Å; Y656-T667 WeakPolarHBondContact CE2-OG1 3.34Å
657	E	91.7	Very high	89.9	Confident	124 Å²	124	72.3 Å²	72.3	58%	0.579	38%	0.383	S	S	*	.			trans	-150.6	131.1	-179.9	-173.4	177.6	-172.7	0	0	108.1	A659 G662 S663	E657-A659 HydrophobicContact CG-CB 4.05Å; E657-G662 CarbonylContact O-C 3.53Å; E657-G662 VanDerWaalsContact O-CA 3.25Å; E657-G662 WeakPolarHBondContact O-CA 3.1Å; E657-S663 PolarHBondContact N-O 2.03Å
658	C	88.6	Confident	89.9	Confident	6 Å²	6	69.4 Å²	69.4	4%	0.041	37%	0.372	C	S	.	.			trans	-82.9	-19	-176.1	-64.1	0	0	0	0	113.8	C642 L643 E644 Q664	C642-C658 WeakPolarHBondContact CA-SG 3.33Å; C642-C658 HydrophobicContact CB-CB 3.72Å; C642-C658 WeakPolarHBondContact CB-SG 3.41Å; C642-C658 WeakPolarHBondContact SG-CB 3.04Å; C642-C658 CovalentContact SG-SG 1.99Å; C642-C658 PolarHBondContact SG-SG 3.23Å; L643-C658 PolarHBondContact N-SG 2.94Å; E644-C658 PolarHBondContact OE2-N 3.46Å; C658-Q664 VanDerWaalsContact SG-CD 3.55Å
659	A	86.4	Confident	89.8	Confident	45 Å²	45	68.9 Å²	68.9	37%	0.372	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.4	146.4	177.1	0	0	0	0	0	111	E657 F661 G662	E657-A659 HydrophobicContact CG-CB 4.05Å; A659-F661 VanDerWaalsContact C-N 3.25Å; A659-F661 PolarHBondContact O-N 2.67Å; A659-G662 PolarHBondContact O-N 2.98Å
660	N	87	Confident	90.3	Very high	167 Å²	167	66.7 Å²	66.7	89%	0.893	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	56.5	33.3	175.5	-52.2	-52.3	0	0	0	114.9	G662	N660-G662 PolarHBondContact O-N 3.46Å
661	F	85.8	Confident	90.9	Very high	99 Å²	99	59.6 Å²	59.6	43%	0.434	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	58.4	35.6	-176.7	-160.1	-129.3	0	0	0	112.4	P602 W605 Y614 A659	P602-F661 HydrophobicContact CB-CE1 4.38Å; P602-F661 HydrophobicContact CB-CZ 4.05Å; P602-F661 WeakPolarHBondContact O-CZ 3.49Å; W605-F661 HydrophobicContact CE3-CD2 4.14Å; W605-F661 AromaticContact CE3-CE2 3.72Å; W605-F661 HydrophobicContact CE3-CE2 3.72Å; W605-F661 HydrophobicContact CE3-CZ 4.4Å; W605-F661 HydrophobicContact CZ3-CD2 4.4Å; W605-F661 HydrophobicContact CZ3-CE2 4.29Å; Y614-F661 HydrophobicContact CD1-CD2 4.24Å; Y614-F661 AromaticContact CD1-CE2 3.74Å; Y614-F661 HydrophobicContact CD1-CE2 3.74Å; Y614-F661 AromaticContact CD2-CD2 3.13Å; Y614-F661 HydrophobicContact CD2-CD2 3.13Å; Y614-F661 AromaticContact CD2-CE2 3.52Å; Y614-F661 HydrophobicContact CD2-CE2 3.52Å; Y614-F661 HydrophobicContact CD2-CG 4.19Å; Y614-F661 HydrophobicContact CE1-CD2 4.42Å; Y614-F661 AromaticContact CE1-CE2 3.85Å; Y614-F661 HydrophobicContact CE1-CE2 3.85Å; Y614-F661 AromaticContact CE2-CD2 3.35Å; Y614-F661 HydrophobicContact CE2-CD2 3.35Å; Y614-F661 AromaticContact CE2-CE2 3.62Å; Y614-F661 HydrophobicContact CE2-CE2 3.62Å; Y614-F661 HydrophobicContact CE2-CG 4.16Å; Y614-F661 AromaticContact CG-CD2 3.61Å; Y614-F661 HydrophobicContact CG-CD2 3.61Å; Y614-F661 AromaticContact CG-CE2 3.56Å; Y614-F661 HydrophobicContact CG-CE2 3.56Å; Y614-F661 AromaticContact CZ-CE2 3.78Å; A659-F661 VanDerWaalsContact C-N 3.25Å; A659-F661 PolarHBondContact O-N 2.67Å
662	G	86.4	Confident	91.5	Very high	22 Å²	22	55.7 Å²	55.7	23%	0.227	28%	0.281	C	S	.	.			trans	-64.1	165.8	177.5	0	0	0	0	0	112.8	W605 E657 A659 N660 Q664	W605-G662 WeakPolarHBondContact CZ3-O 3.24Å; E657-G662 CarbonylContact O-C 3.53Å; E657-G662 VanDerWaalsContact O-CA 3.25Å; E657-G662 WeakPolarHBondContact O-CA 3.1Å; A659-G662 PolarHBondContact O-N 2.98Å; N660-G662 PolarHBondContact O-N 3.46Å; G662-Q664 PolarHBondContact O-N 2.76Å
663	S	91.1	Very high	91.8	Very high	75 Å²	75	54.2 Å²	54.2	52%	0.524	28%	0.275	S	S	.	.			trans	-66.8	134.8	174.9	-67.6	0	0	0	0	109.9	Y656 E657	Y656-S663 WeakPolarHBondContact CD1-O 3.35Å; E657-S663 PolarHBondContact N-O 2.03Å
664	Q	92.3	Very high	91.8	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.014	24%	0.24	C	C	.	.			trans	-104.6	145.8	179.8	-63.4	-165.6	21.6	0	0	111.9	P598 W605 Y614 S616 L643 C658 G662	P598-Q664 WeakPolarHBondContact CD-O 3.31Å; P598-Q664 HydrophobicContact CG-CB 4.41Å; W605-Q664 HydrophobicContact CH2-CB 3.97Å; W605-Q664 HydrophobicContact CH2-CG 3.84Å; W605-Q664 HydrophobicContact CZ2-CB 4.28Å; W605-Q664 HydrophobicContact CZ2-CG 4.49Å; W605-Q664 HydrophobicContact CZ3-CG 3.9Å; Y614-Q664 PolarHBondContact O-NE2 3.2Å; S616-Q664 PolarHBondContact OG-OE1 3.45Å; L643-Q664 HydrophobicContact CB-CB 4.15Å; L643-Q664 VanDerWaalsContact N-OE1 3.09Å; L643-Q664 CarbonylContact O-C 3.39Å; L643-Q664 VanDerWaalsContact O-CA 3.23Å; L643-Q664 WeakPolarHBondContact O-CA 3.49Å; L643-Q664 WeakPolarHBondContact O-CB 2.9Å; C658-Q664 VanDerWaalsContact SG-CD 3.55Å; G662-Q664 PolarHBondContact O-N 2.76Å
665	G	93.8	Very high	91.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.			trans	162.5	177.6	-179.7	0	0	0	0	0	111.7	F596 L643 E644 Y656	F596-G665 CarbonylContact O-C 3.59Å; F596-G665 WeakPolarHBondContact O-CA 3.29Å; L643-G665 CarbonylContact C-O 3.52Å; L643-G665 VanDerWaalsContact C-O 3.23Å; L643-G665 PolarHBondContact O-N 3.47Å; E644-G665 WeakPolarHBondContact CA-O 3.47Å; E644-G665 PolarHBondContact N-O 3.16Å; Y656-G665 WeakPolarHBondContact CB-O 3.37Å; Y656-G665 VanDerWaalsContact CD2-O 3.32Å; Y656-G665 WeakPolarHBondContact CD2-O 3.35Å
666	I	95.7	Very high	91.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-125.8	116.3	172.5	-51.5	176.3	0	0	0	107.6	L536 I588 N590 D595 F596 F620 L643 D672	L536-I666 HydrophobicContact CD2-CD1 4.25Å; I588-I666 HydrophobicContact CG2-CD1 4.34Å; N590-I666 HydrophobicContact CB-CB 4.25Å; N590-I666 HydrophobicContact CB-CG2 3.73Å; N590-I666 PolarHBondContact ND2-O 2.92Å; D595-I666 CarbonylContact C-O 3.51Å; D595-I666 WeakPolarHBondContact CA-O 3.22Å; F596-I666 HydrophobicContact CB-CB 4.24Å; F596-I666 PolarHBondContact N-O 2.93Å; F596-I666 PolarHBondContact O-N 3.42Å; F620-I666 HydrophobicContact CZ-CD1 4.44Å; L643-I666 HydrophobicContact CB-CG1 4.49Å; L643-I666 HydrophobicContact CD2-CD1 4.34Å; I666-D672 HydrophobicContact CD1-CB 3.81Å; I666-D672 HydrophobicContact CG1-CB 4.18Å
667	T	95.6	Very high	91.5	Very high	15 Å²	15	46 Å²	46	9%	0.092	24%	0.242	C	C	.	.			trans	-68.2	148.8	178.5	-80.1	0	0	0	0	111	D595 D645 I652 Y656 G669 C670	D595-T667 WeakPolarHBondContact OD1-CA 2.99Å; D645-T667 PolarHBondContact OD1-N 2.95Å; D645-T667 PolarHBondContact OD2-OG1 3.31Å; I652-T667 HydrophobicContact CG2-CG2 4.16Å; Y656-T667 WeakPolarHBondContact CD2-OG1 3.04Å; Y656-T667 WeakPolarHBondContact CE2-OG1 3.34Å; T667-G669 PolarHBondContact O-N 3.46Å; T667-C670 VanDerWaalsContact O-CB 3.3Å; T667-C670 WeakPolarHBondContact O-CB 3.05Å; T667-C670 PolarHBondContact O-N 3.41Å
668	V	93.2	Very high	91.3	Very high	40 Å²	40	42.6 Å²	42.6	24%	0.242	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.9	174.9	179.5	0	0	0	0	110.3	G592 S594 D595 C670	G592-V668 VanDerWaalsContact O-CG1 3.22Å; G592-V668 WeakPolarHBondContact O-CG1 3.42Å; S594-V668 VanDerWaalsContact CA-CG2 3.46Å; S594-V668 WeakPolarHBondContact O-CG2 3.31Å; D595-V668 PolarHBondContact OD1-N 2.03Å; V668-C670 PolarHBondContact O-N 3.32Å
669	G	90.3	Very high	91.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	13.9	-175	0	0	0	0	0	113.8	N590 C648 D649 T667	N590-G669 PolarHBondContact O-N 3.07Å; C648-G669 WeakPolarHBondContact CA-O 3.49Å; D649-G669 PolarHBondContact N-O 2.92Å; T667-G669 PolarHBondContact O-N 3.46Å
670	C	94.4	Very high	91.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	166.7	169.2	-57.1	0	0	0	0	110.7	N590 D645 H647 C648 T667 V668	N590-C670 PolarHBondContact N-O 3.14Å; D645-C670 HydrophobicContact CB-CB 4.17Å; D645-C670 WeakPolarHBondContact OD1-CB 3.4Å; H647-C670 WeakPolarHBondContact O-CA 3.4Å; H647-C670 WeakPolarHBondContact O-CB 3.4Å; C648-C670 HydrophobicContact CB-CB 3.94Å; C648-C670 WeakPolarHBondContact CB-SG 3.48Å; C648-C670 WeakPolarHBondContact SG-CB 3.18Å; C648-C670 CovalentContact SG-SG 2.04Å; C648-C670 PolarHBondContact SG-SG 3.12Å; T667-C670 VanDerWaalsContact O-CB 3.3Å; T667-C670 WeakPolarHBondContact O-CB 3.05Å; T667-C670 PolarHBondContact O-N 3.41Å; V668-C670 PolarHBondContact O-N 3.32Å
671	W	94.8	Very high	91.5	Very high	45 Å²	45	34.3 Å²	34.3	17%	0.17	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.9	173.4	59.2	82.1	0	0	0	113	Q587 I588 Q589 T646 H647 D649 T673	Q587-W671 HydrophobicContact CG-CB 4.09Å; Q587-W671 HydrophobicContact CG-CG 3.91Å; I588-W671 CarbonylContact O-C 3.45Å; I588-W671 WeakPolarHBondContact O-CA 3.29Å; I588-W671 VanDerWaalsContact O-CB 3.24Å; I588-W671 WeakPolarHBondContact O-CB 3.29Å; Q589-W671 HydrophobicContact CB-CB 4.29Å; Q589-W671 HydrophobicContact CG-CB 3.8Å; Q589-W671 HydrophobicContact CG-CG 4.47Å; T646-W671 WeakPolarHBondContact CB-O 3.03Å; T646-W671 PolarHBondContact N-O 3.08Å; H647-W671 HydrophobicContact CB-CD2 4.41Å; H647-W671 HydrophobicContact CB-CH2 4.41Å; H647-W671 HydrophobicContact CB-CZ2 3.59Å; H647-W671 AromaticContact CD2-CH2 3.41Å; H647-W671 VanDerWaalsContact CD2-CH2 3.41Å; H647-W671 WeakPolarHBondContact CD2-CH2 3.39Å; H647-W671 AromaticContact CD2-CZ2 3.25Å; H647-W671 WeakPolarHBondContact CD2-CZ2 3.32Å; H647-W671 AromaticContact CG-CZ2 3.7Å; H647-W671 PolarHBondContact N-O 2.98Å; H647-W671 PolarHBondContact O-N 2.83Å; D649-W671 WeakPolarHBondContact OD1-CZ3 3.2Å; W671-T673 VanDerWaalsContact CD1-OG1 3.28Å
672	D	94.6	Very high	91.9	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	173.7	-165.4	-12.2	0	0	0	109.3	Q587 I588 L643 E644 T646 I666 Y674	Q587-D672 CarbonylContact C-O 3.56Å; Q587-D672 WeakPolarHBondContact CA-O 3.5Å; I588-D672 PolarHBondContact N-O 3.24Å; I588-D672 PolarHBondContact O-N 3.17Å; L643-D672 WeakPolarHBondContact CA-OD2 3.34Å; E644-D672 PolarHBondContact N-OD2 2.96Å; E644-D672 VanDerWaalsContact O-CB 3.32Å; E644-D672 WeakPolarHBondContact O-CB 3.05Å; T646-D672 PolarHBondContact OG1-OD1 3.15Å; I666-D672 HydrophobicContact CD1-CB 3.81Å; I666-D672 HydrophobicContact CG1-CB 4.18Å; D672-Y674 WeakPolarHBondContact OD1-CE2 3.4Å; D672-Y674 WeakPolarHBondContact OD2-CE2 2.98Å
673	T	93	Very high	92.3	Very high	29 Å²	29	28.6 Å²	28.6	18%	0.178	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.7	-177.1	-53.8	0	0	0	0	112.1	Q587 T646 W671 R675	Q587-T673 HydrophobicContact CB-CG2 4.44Å; T646-T673 PolarHBondContact OG1-N 3Å; W671-T673 VanDerWaalsContact CD1-OG1 3.28Å; T673-R675 HydrophobicContact CG2-CG 4.2Å; T673-R675 PolarHBondContact O-N 2.91Å
674	Y	91	Very high	92.6	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.059	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	100.7	167.7	-78.1	-94.6	0	0	0	110.1	S585 S586 I588 F641 C642 D672	S585-Y674 CarbonylContact C-O 3.56Å; S585-Y674 WeakPolarHBondContact CA-O 3.49Å; S585-Y674 WeakPolarHBondContact CB-O 3.18Å; S586-Y674 PolarHBondContact N-O 2.84Å; S586-Y674 PolarHBondContact O-N 2.86Å; I588-Y674 HydrophobicContact CD1-CD2 4.46Å; F641-Y674 WeakPolarHBondContact CA-OH 2.96Å; F641-Y674 AromaticContact CD1-CD2 3.84Å; F641-Y674 HydrophobicContact CD1-CD2 3.84Å; F641-Y674 AromaticContact CD1-CE1 3.87Å; F641-Y674 HydrophobicContact CD1-CE1 3.87Å; F641-Y674 AromaticContact CD1-CE2 3.13Å; F641-Y674 HydrophobicContact CD1-CE2 3.13Å; F641-Y674 HydrophobicContact CD1-CG 4.46Å; F641-Y674 AromaticContact CD1-CZ 3.12Å; F641-Y674 WeakPolarHBondContact CD1-OH 3.26Å; F641-Y674 HydrophobicContact CE1-CD1 4.15Å; F641-Y674 AromaticContact CE1-CD2 3.45Å; F641-Y674 HydrophobicContact CE1-CD2 3.45Å; F641-Y674 VanDerWaalsContact CE1-CD2 3.45Å; F641-Y674 AromaticContact CE1-CE1 3.97Å; F641-Y674 HydrophobicContact CE1-CE1 3.97Å; F641-Y674 AromaticContact CE1-CE2 3.29Å; F641-Y674 HydrophobicContact CE1-CE2 3.29Å; F641-Y674 AromaticContact CE1-CG 3.88Å; F641-Y674 HydrophobicContact CE1-CG 3.88Å; F641-Y674 AromaticContact CE1-CZ 3.54Å; F641-Y674 HydrophobicContact CG-CE1 4.45Å; F641-Y674 HydrophobicContact CG-CE2 4.28Å; F641-Y674 AromaticContact CG-CZ 3.89Å; C642-Y674 WeakPolarHBondContact CA-OH 3.45Å; C642-Y674 PolarHBondContact N-OH 2.9Å; C642-Y674 PolarHBondContact O-OH 2.96Å; D672-Y674 WeakPolarHBondContact OD1-CE2 3.4Å; D672-Y674 WeakPolarHBondContact OD2-CE2 2.98Å
675	R	92.6	Very high	92.8	Very high	133 Å²	133	25.1 Å²	25.1	50%	0.502	12%	0.12	S	C	.	.			trans	-71.3	148	-178	-59.8	-167.1	-51.5	-92.3	-1	112.1	T673 D677 I678	T673-R675 HydrophobicContact CG2-CG 4.2Å; T673-R675 PolarHBondContact O-N 2.91Å; R675-D677 WeakPolarHBondContact CB-OD1 2.86Å; R675-D677 IonicContact CZ-OD1 3.99Å; R675-D677 IonicContact NE-OD1 2.85Å; R675-D677 PolarHBondContact NE-OD1 3.16Å; R675-D677 VanDerWaalsContact NE-OD1 3.13Å; R675-D677 IonicContact NE-OD2 3.67Å; R675-D677 IonicContact NH2-OD1 3.67Å; R675-D677 IonicContact NH2-OD2 3.82Å; R675-D677 PolarHBondContact NH2-OD2 2.52Å; R675-D677 PolarHBondContact O-N 2.89Å; R675-I678 HydrophobicContact CB-CD1 4.35Å; R675-I678 HydrophobicContact CB-CG1 4.45Å; R675-I678 PolarHBondContact O-N 3.37Å; R675-I678 VanDerWaalsContact O-N 3.12Å
676	H	92.6	Very high	92.8	Very high	62 Å²	62	27.4 Å²	27.4	29%	0.287	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.5	-179.7	59	65.1	0	0	0	115.4	Y548 R583 F584 S585	Y548-H676 HydrophobicContact CE1-CB 3.83Å; Y548-H676 AromaticContact CE1-CG 3.68Å; Y548-H676 AromaticContact CE1-ND1 3.56Å; Y548-H676 AromaticContact CZ-ND1 3.9Å; Y548-H676 PolarHBondContact OH-ND1 2.94Å; Y548-H676 PolarHBondContact OH-O 2.74Å; R583-H676 WeakPolarHBondContact CD-O 3.48Å; R583-H676 PolarHBondContact NH1-O 3.48Å; F584-H676 WeakPolarHBondContact O-CA 3.41Å; S585-H676 WeakPolarHBondContact OG-CB 2.96Å; S585-H676 PolarHBondContact OG-CD2 3.44Å; S585-H676 PolarHBondContact OG-N 3.2Å
677	D	89.9	Confident	92.7	Very high	80 Å²	80	31.8 Å²	31.8	43%	0.428	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.2	-179.2	62	-46.3	0	0	0	113.6	R675	R675-D677 WeakPolarHBondContact CB-OD1 2.86Å; R675-D677 IonicContact CZ-OD1 3.99Å; R675-D677 IonicContact NE-OD1 2.85Å; R675-D677 PolarHBondContact NE-OD1 3.16Å; R675-D677 VanDerWaalsContact NE-OD1 3.13Å; R675-D677 IonicContact NE-OD2 3.67Å; R675-D677 IonicContact NH2-OD1 3.67Å; R675-D677 IonicContact NH2-OD2 3.82Å; R675-D677 PolarHBondContact NH2-OD2 2.52Å; R675-D677 PolarHBondContact O-N 2.89Å
678	I	87.8	Confident	92.7	Very high	53 Å²	53	31.7 Å²	31.7	27%	0.272	16%	0.157	S	C	.	.	S	Bend	trans	-75.5	151.6	-178.9	-57.8	175.6	0	0	0	110.2	R583 R675 Q681	R583-I678 PolarHBondContact NH1-O 2.86Å; R583-I678 VanDerWaalsContact NH1-O 3.08Å; R675-I678 HydrophobicContact CB-CD1 4.35Å; R675-I678 HydrophobicContact CB-CG1 4.45Å; R675-I678 PolarHBondContact O-N 3.37Å; R675-I678 VanDerWaalsContact O-N 3.12Å; I678-Q681 VanDerWaalsContact O-CB 3.29Å; I678-Q681 WeakPolarHBondContact O-CB 3.18Å; I678-Q681 PolarHBondContact O-N 2.96Å
679	D	86.8	Confident	92.9	Very high	44 Å²	44	37.5 Å²	37.5	24%	0.235	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	150.8	174.4	-80.1	-22.2	0	0	0	112.4	K638 Q681 W682	K638-D679 PolarHBondContact NZ-O 3.22Å; D679-Q681 PolarHBondContact O-N 2.85Å; D679-W682 HydrophobicContact CB-CH2 4.18Å; D679-W682 HydrophobicContact CB-CZ3 4.34Å
680	C	87.1	Confident	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	7.8	-175.1	-58.1	0	0	0	0	115.4	E563 C565 K638 W682	E563-C680 PolarHBondContact OE2-SG 2.79Å; E563-C680 VanDerWaalsContact OE2-SG 3.41Å; C565-C680 HydrophobicContact CB-CB 3.65Å; C565-C680 WeakPolarHBondContact CB-SG 3.5Å; C565-C680 WeakPolarHBondContact SG-CB 3.21Å; C565-C680 CovalentContact SG-SG 2.02Å; C565-C680 PolarHBondContact SG-SG 3.27Å; K638-C680 HydrophobicContact CD-CB 3.78Å; C680-W682 PolarHBondContact O-N 2.91Å; C680-W682 VanDerWaalsContact O-N 3.15Å
681	Q	92.7	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.			trans	-88.9	55.9	175.5	-157	66.2	28.9	0	0	111.6	F584 S586 Y623 I678 D679	F584-Q681 WeakPolarHBondContact O-CG 3.3Å; S586-Q681 PolarHBondContact OG-NE2 2.75Å; Y623-Q681 PolarHBondContact OH-NE2 3.47Å; I678-Q681 VanDerWaalsContact O-CB 3.29Å; I678-Q681 WeakPolarHBondContact O-CB 3.18Å; I678-Q681 PolarHBondContact O-N 2.96Å; D679-Q681 PolarHBondContact O-N 2.85Å
682	W	93.7	Very high	93.2	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	172.1	-177.4	57.6	70.9	0	0	0	113.5	L557 A560 C565 L566 L581 L582 R583 D679 C680	L557-W682 HydrophobicContact CD2-CH2 3.98Å; L557-W682 HydrophobicContact CD2-CZ2 4.27Å; A560-W682 HydrophobicContact CB-CH2 3.75Å; A560-W682 HydrophobicContact CB-CZ2 3.45Å; A560-W682 VanDerWaalsContact CB-CZ2 3.45Å; C565-W682 PolarHBondContact O-NE1 2.85Å; L566-W682 HydrophobicContact CD2-CZ2 4.03Å; L581-W682 HydrophobicContact CB-CB 4.09Å; L581-W682 HydrophobicContact CB-CD2 4.4Å; L581-W682 HydrophobicContact CB-CG 4.07Å; L581-W682 HydrophobicContact CD1-CD2 3.91Å; L581-W682 HydrophobicContact CD1-CE3 4.08Å; L581-W682 HydrophobicContact CD1-CG 4.4Å; L581-W682 HydrophobicContact CD1-CH2 4.25Å; L581-W682 HydrophobicContact CD1-CZ2 4.12Å; L581-W682 HydrophobicContact CD1-CZ3 4.23Å; L581-W682 HydrophobicContact CD2-CD2 4.32Å; L581-W682 HydrophobicContact CD2-CG 4.15Å; L581-W682 HydrophobicContact CG-CD2 4.44Å; L581-W682 HydrophobicContact CG-CG 4.43Å; L582-W682 CarbonylContact O-C 3.54Å; L582-W682 WeakPolarHBondContact O-CA 3.22Å; L582-W682 VanDerWaalsContact O-CB 3.25Å; L582-W682 WeakPolarHBondContact O-CB 2.96Å; R583-W682 HydrophobicContact CG-CB 3.95Å; R583-W682 VanDerWaalsContact CZ-CZ3 3.44Å; D679-W682 HydrophobicContact CB-CH2 4.18Å; D679-W682 HydrophobicContact CB-CZ3 4.34Å; C680-W682 PolarHBondContact O-N 2.91Å; C680-W682 VanDerWaalsContact O-N 3.15Å
683	I	96.1	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.8	155.8	-57.7	174.6	0	0	0	107.6	L582 F584 L625 A634 I685 L695	L582-I683 HydrophobicContact CB-CB 4.43Å; L582-I683 PolarHBondContact N-O 2.81Å; L582-I683 PolarHBondContact O-N 2.89Å; F584-I683 HydrophobicContact CE1-CG1 4.35Å; L625-I683 HydrophobicContact CB-CD1 4.2Å; A634-I683 HydrophobicContact CB-CG2 3.66Å; I683-I685 HydrophobicContact CB-CG2 4.28Å; I683-I685 HydrophobicContact CG2-CG2 3.92Å; I683-I685 PolarHBondContact O-N 2.81Å; I683-L695 HydrophobicContact CD1-CD1 3.49Å; I683-L695 VanDerWaalsContact CD1-CD1 3.49Å
684	D	95.9	Very high	93.2	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	110.7	171.5	-174.6	-15.4	0	0	0	109.1	S567 R579 L581 T686	S567-D684 PolarHBondContact N-OD2 2.75Å; R579-D684 IonicContact CZ-OD1 2.8Å; R579-D684 IonicContact CZ-OD2 3.57Å; R579-D684 VanDerWaalsContact CZ-OD2 3.25Å; R579-D684 IonicContact NE-OD1 2.79Å; R579-D684 IonicContact NE-OD2 2.73Å; R579-D684 PolarHBondContact NE-OD2 2.85Å; R579-D684 VanDerWaalsContact NH2-CG 3.32Å; R579-D684 IonicContact NH2-OD1 3.47Å; R579-D684 PolarHBondContact NH2-OD1 2.8Å; R579-D684 IonicContact NH2-OD2 3.99Å; R579-D684 PolarHBondContact NH2-OD2 2.74Å; L581-D684 HydrophobicContact CD2-CB 4.21Å; D684-T686 VanDerWaalsContact OD1-CB 3.27Å; D684-T686 WeakPolarHBondContact OD1-CB 3.35Å; D684-T686 PolarHBondContact OD1-N 3.26Å; D684-T686 PolarHBondContact OD1-OG1 2.88Å
685	I	96.7	Very high	93.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.225	C	C	.	.			trans	-109.1	19.2	-176.4	66.2	160.2	0	0	0	112.3	L549 R580 L582 L625 I683 D687 V688 Y721	L549-I685 HydrophobicContact CD2-CD1 3.51Å; L549-I685 HydrophobicContact CD2-CG1 4.46Å; R580-I685 HydrophobicContact CB-CG1 4.26Å; R580-I685 HydrophobicContact CG-CD1 4.04Å; R580-I685 HydrophobicContact CG-CG1 3.73Å; R580-I685 WeakPolarHBondContact O-CG1 3.42Å; R580-I685 PolarHBondContact O-N 2.99Å; L582-I685 HydrophobicContact CB-CD1 4.26Å; L582-I685 HydrophobicContact CB-CG1 4.33Å; L582-I685 HydrophobicContact CB-CG2 3.92Å; L582-I685 HydrophobicContact CD2-CG2 4.43Å; L625-I685 HydrophobicContact CD2-CG2 4.03Å; I683-I685 HydrophobicContact CB-CG2 4.28Å; I683-I685 HydrophobicContact CG2-CG2 3.92Å; I683-I685 PolarHBondContact O-N 2.81Å; I685-D687 PolarHBondContact O-N 3.02Å; I685-V688 HydrophobicContact CB-CB 4.01Å; I685-V688 HydrophobicContact CB-CG2 3.81Å; I685-V688 HydrophobicContact CG2-CG2 4.15Å; I685-V688 WeakPolarHBondContact O-CB 3.49Å; I685-V688 PolarHBondContact O-N 3.13Å; I685-Y721 HydrophobicContact CD1-CD2 4.37Å; I685-Y721 HydrophobicContact CD1-CE1 4.4Å; I685-Y721 HydrophobicContact CD1-CE2 4.08Å
686	T	95.1	Very high	93.6	Very high	49 Å²	49	39.5 Å²	39.5	30%	0.301	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.2	-178.2	-55.4	0	0	0	0	112.4	R579 R580 D684	R579-T686 WeakPolarHBondContact CA-OG1 3.33Å; R579-T686 PolarHBondContact NE-OG1 2.75Å; R580-T686 PolarHBondContact N-OG1 3.1Å; D684-T686 VanDerWaalsContact OD1-CB 3.27Å; D684-T686 WeakPolarHBondContact OD1-CB 3.35Å; D684-T686 PolarHBondContact OD1-N 3.26Å; D684-T686 PolarHBondContact OD1-OG1 2.88Å
687	D	93.4	Very high	93.6	Very high	91 Å²	91	36.5 Å²	36.5	49%	0.487	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.2	-176.3	-51.6	-55.8	0	0	0	113.4	S567 T569 R579 I685	S567-D687 PolarHBondContact OG-OD2 2.88Å; T569-D687 WeakPolarHBondContact CB-OD2 3.04Å; T569-D687 WeakPolarHBondContact CG2-OD2 3.29Å; T569-D687 VanDerWaalsContact OG1-CG 3.29Å; T569-D687 PolarHBondContact OG1-OD1 3.33Å; T569-D687 PolarHBondContact OG1-OD2 3.18Å; R579-D687 IonicContact NH2-OD2 3.94Å; I685-D687 PolarHBondContact O-N 3.02Å
688	V	95.7	Very high	93.8	Very high	13 Å²	13	33.7 Å²	33.7	8%	0.079	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-83.3	132.8	-176.3	-178	0	0	0	0	109.4	L625 V633 A634 I685 Y693 Y721	L625-V688 HydrophobicContact CD2-CG1 4Å; L625-V688 HydrophobicContact CD2-CG2 4.33Å; V633-V688 HydrophobicContact CG1-CG1 4.24Å; V633-V688 HydrophobicContact CG1-CG2 4.38Å; A634-V688 HydrophobicContact CB-CG2 3.72Å; I685-V688 HydrophobicContact CB-CB 4.01Å; I685-V688 HydrophobicContact CB-CG2 3.81Å; I685-V688 HydrophobicContact CG2-CG2 4.15Å; I685-V688 WeakPolarHBondContact O-CB 3.49Å; I685-V688 PolarHBondContact O-N 3.13Å; V688-Y693 HydrophobicContact CG1-CE1 4.29Å; V688-Y693 HydrophobicContact CG1-CE2 4.01Å; V688-Y721 HydrophobicContact CG1-CD1 4.4Å; V688-Y721 WeakPolarHBondContact O-CE1 3.45Å
689	K	96.1	Very high	94.1	Very high	163 Å²	163	31.1 Å²	31.1	71%	0.709	17%	0.167	S	C	*	.	P	Polyproline II helix	trans	-79.5	158	176.4	-66.4	-177.7	-178.7	177	0	110.8	Y693 Y721	K689-Y693 WeakPolarHBondContact O-CE2 3.05Å; K689-Y693 PolarHBondContact O-OH 2.9Å; K689-Y721 WeakPolarHBondContact O-CD1 3.31Å
690	P	96.8	Very high	94.3	Very high	80 Å²	80	29.1 Å²	29.1	52%	0.519	16%	0.156	S	C	.	.	S	Bend	trans	-57.1	141	167.5	-26.1	36.4	0	0	0	111.8	Y721	P690-Y721 CarbonylContact C-O 3.52Å; P690-Y721 WeakPolarHBondContact CA-O 3.33Å; P690-Y721 WeakPolarHBondContact CB-O 3.39Å
691	G	94.8	Very high	94.5	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-175.9	-176.7	0	0	0	0	0	113.5	Y693 Y721	G691-Y693 VanDerWaalsContact C-CE2 3.44Å; G691-Y693 WeakPolarHBondContact O-CD2 3.33Å; G691-Y693 WeakPolarHBondContact O-CE2 3.27Å; G691-Y721 PolarHBondContact N-O 2.93Å; G691-Y721 PolarHBondContact O-N 3.35Å
692	D	94.7	Very high	94.2	Very high	72 Å²	72	34.5 Å²	34.5	39%	0.385	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.2	173.6	-63.7	-73.4	0	0	0	110	L628 R720	L628-D692 HydrophobicContact CD1-CB 4.2Å; L628-D692 HydrophobicContact CD2-CB 4.28Å; L628-D692 HydrophobicContact CG-CB 4.42Å; D692-R720 WeakPolarHBondContact OD1-CD 3.24Å; D692-R720 VanDerWaalsContact OD1-CG 3.31Å; D692-R720 WeakPolarHBondContact OD1-CG 3.41Å; D692-R720 IonicContact OD1-NE 3.21Å
693	Y	94.8	Very high	94.1	Very high	26 Å²	26	38.1 Å²	38.1	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	166.7	-170.6	-60.7	-76.5	0	0	0	110.8	L625 L626 V633 V688 K689 G691 T719	L625-Y693 HydrophobicContact CD1-CG 4.41Å; L625-Y693 HydrophobicContact CD2-CD1 4.45Å; L625-Y693 HydrophobicContact CD2-CD2 4.47Å; L625-Y693 HydrophobicContact CD2-CG 4.2Å; L625-Y693 HydrophobicContact CG-CD1 4.38Å; L625-Y693 HydrophobicContact CG-CG 4.16Å; L626-Y693 CarbonylContact O-C 3.57Å; L626-Y693 VanDerWaalsContact O-CA 3.27Å; L626-Y693 WeakPolarHBondContact O-CA 3.16Å; L626-Y693 WeakPolarHBondContact O-CB 3.43Å; V633-Y693 HydrophobicContact CB-CE1 4.38Å; V633-Y693 HydrophobicContact CG1-CE1 4.13Å; V633-Y693 HydrophobicContact CG2-CD1 4.34Å; V633-Y693 HydrophobicContact CG2-CE1 4.12Å; V688-Y693 HydrophobicContact CG1-CE1 4.29Å; V688-Y693 HydrophobicContact CG1-CE2 4.01Å; K689-Y693 WeakPolarHBondContact O-CE2 3.05Å; K689-Y693 PolarHBondContact O-OH 2.9Å; G691-Y693 VanDerWaalsContact C-CE2 3.44Å; G691-Y693 WeakPolarHBondContact O-CD2 3.33Å; G691-Y693 WeakPolarHBondContact O-CE2 3.27Å; Y693-T719 PolarHBondContact N-O 2.78Å; Y693-T719 PolarHBondContact O-N 3.06Å; Y693-T719 VanDerWaalsContact O-O 3.12Å
694	F	93.9	Very high	93.7	Very high	36 Å²	36	41.1 Å²	41.1	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.1	163.2	-66.3	-76.3	0	0	0	109.4	L626 L628 C717 R718 F745	L626-F694 HydrophobicContact CB-CB 4.25Å; L626-F694 PolarHBondContact N-O 3.33Å; L626-F694 PolarHBondContact O-N 3.37Å; L628-F694 HydrophobicContact CD2-CD2 4.19Å; L628-F694 HydrophobicContact CD2-CE2 3.69Å; L628-F694 HydrophobicContact CD2-CZ 4.16Å; F694-C717 CarbonylContact C-O 3.56Å; F694-C717 VanDerWaalsContact CA-O 3.28Å; F694-C717 WeakPolarHBondContact CA-O 3.36Å; F694-R718 HydrophobicContact CD1-CG 4.12Å; F694-R718 HydrophobicContact CE1-CG 3.75Å; F694-F745 HydrophobicContact CE1-CD1 4.41Å
695	L	95.1	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.7	164.8	171.7	64.1	0	0	0	107.6	V543 F584 L625 I683 K716 C717 T719 T728	V543-L695 HydrophobicContact CG1-CD2 3.99Å; F584-L695 HydrophobicContact CD1-CD2 4.5Å; F584-L695 HydrophobicContact CE1-CD1 4.29Å; L625-L695 HydrophobicContact CD1-CB 4.45Å; I683-L695 HydrophobicContact CD1-CD1 3.49Å; I683-L695 VanDerWaalsContact CD1-CD1 3.49Å; L695-K716 CarbonylContact O-C 3.58Å; L695-K716 VanDerWaalsContact O-CA 3.31Å; L695-K716 WeakPolarHBondContact O-CA 3.41Å; L695-C717 HydrophobicContact CB-CB 4.23Å; L695-C717 PolarHBondContact N-O 2.84Å; L695-C717 PolarHBondContact O-N 2.84Å; L695-T719 WeakPolarHBondContact CB-OG1 3.42Å; L695-T728 HydrophobicContact CD2-CG2 4.33Å
696	Q	95	Very high	93.1	Very high	31 Å²	31	42 Å²	42	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.1	177.1	-178.7	-179.1	-85.6	0	0	110	D624 L626 V698 I714 M715 K716	D624-Q696 HydrophobicContact CB-CB 4.29Å; D624-Q696 PolarHBondContact N-O 3Å; D624-Q696 PolarHBondContact O-N 2.81Å; L626-Q696 HydrophobicContact CD1-CB 4.13Å; Q696-V698 HydrophobicContact CG-CG2 4.01Å; Q696-I714 HydrophobicContact CG-CG2 3.97Å; Q696-M715 VanDerWaalsContact CA-O 3.29Å; Q696-M715 WeakPolarHBondContact CA-O 3.33Å; Q696-K716 HydrophobicContact CB-CG 4.48Å; Q696-K716 HydrophobicContact CG-CG 4.26Å
697	V	94.5	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.5	170.9	178	0	0	0	0	108	L538 F584 H622 Y623 I714 M715	L538-V697 HydrophobicContact CD1-CG1 4.49Å; L538-V697 HydrophobicContact CD2-CB 3.68Å; L538-V697 HydrophobicContact CD2-CG1 3.61Å; L538-V697 HydrophobicContact CD2-CG2 4.24Å; F584-V697 HydrophobicContact CE2-CG2 3.79Å; F584-V697 HydrophobicContact CZ-CG2 3.96Å; H622-V697 WeakPolarHBondContact O-CA 3.38Å; Y623-V697 HydrophobicContact CD1-CB 4.32Å; Y623-V697 HydrophobicContact CD1-CG1 3.8Å; Y623-V697 HydrophobicContact CD1-CG2 3.9Å; Y623-V697 HydrophobicContact CE1-CG1 3.71Å; Y623-V697 HydrophobicContact CE1-CG2 4.37Å; V697-I714 WeakPolarHBondContact O-CA 3.46Å; V697-M715 HydrophobicContact CB-CE 3.79Å; V697-M715 HydrophobicContact CG2-CE 3.53Å; V697-M715 PolarHBondContact N-O 3.22Å; V697-M715 PolarHBondContact O-N 2.89Å
698	V	93.7	Very high	93.1	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.121	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.3	178	-172.9	0	0	0	0	109.1	T621 H622 Q696 P701 N713 I714	T621-V698 CarbonylContact C-O 3.43Å; T621-V698 WeakPolarHBondContact CA-O 3.48Å; H622-V698 PolarHBondContact N-O 2.98Å; H622-V698 PolarHBondContact O-N 3.43Å; Q696-V698 HydrophobicContact CG-CG2 4.01Å; V698-P701 HydrophobicContact CB-CB 4.26Å; V698-P701 HydrophobicContact CG1-CB 3.73Å; V698-N713 WeakPolarHBondContact CA-O 3.24Å; V698-I714 HydrophobicContact CG1-CG1 4.09Å; V698-I714 HydrophobicContact CG2-CG1 4.19Å; V698-I714 HydrophobicContact CG2-CG2 4.44Å
699	I	93.6	Very high	93	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142.6	174.9	-59.6	161	0	0	0	110.1	L536 L538 I588 F620 T621 P701 N713	L536-I699 HydrophobicContact CB-CG2 4.01Å; L536-I699 HydrophobicContact CD1-CG2 3.8Å; L538-I699 HydrophobicContact CB-CD1 3.59Å; L538-I699 HydrophobicContact CD1-CD1 4.02Å; L538-I699 HydrophobicContact CD1-CG1 4.49Å; L538-I699 HydrophobicContact CG-CD1 4.37Å; I588-I699 HydrophobicContact CB-CD1 4.48Å; I588-I699 HydrophobicContact CG1-CD1 3.9Å; I588-I699 HydrophobicContact CG1-CG1 4.23Å; I588-I699 HydrophobicContact CG2-CD1 3.97Å; I588-I699 HydrophobicContact CG2-CG2 4.34Å; F620-I699 HydrophobicContact CE1-CG2 4.24Å; F620-I699 HydrophobicContact CE2-CG2 4.19Å; F620-I699 HydrophobicContact CZ-CG2 3.94Å; T621-I699 HydrophobicContact CG2-CG1 4.07Å; I699-P701 VanDerWaalsContact C-N 3.3Å; I699-N713 HydrophobicContact CB-CB 4.47Å; I699-N713 PolarHBondContact N-O 2.89Å; I699-N713 WeakPolarHBondContact O-CB 3.07Å; I699-N713 PolarHBondContact O-ND2 2.85Å
700	N	91.6	Very high	92.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.	S	Bend	trans	44.5	52.4	-178.8	-173.5	19.1	0	0	0	112.5	F620 N702 F703 E704 V705 E707	F620-N700 PolarHBondContact O-N 2.88Å; N700-N702 PolarHBondContact O-N 3.2Å; N700-N702 VanDerWaalsContact O-N 3.14Å; N700-F703 PolarHBondContact O-N 3.05Å; N700-E704 PolarHBondContact OD1-N 3.29Å; N700-V705 PolarHBondContact ND2-O 3.27Å; N700-E707 VanDerWaalsContact CB-OE1 3.3Å; N700-E707 WeakPolarHBondContact CB-OE1 3.43Å; N700-E707 PolarHBondContact ND2-OE1 3.18Å
701	P	90	Very high	92.4	Very high	23 Å²	23	29.6 Å²	29.6	15%	0.149	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.5	-165	26.1	-36.2	0	0	0	114.2	V619 F620 H622 V698 I699	V619-P701 HydrophobicContact CG1-CG 4.19Å; F620-P701 WeakPolarHBondContact O-CD 3.5Å; H622-P701 VanDerWaalsContact CD2-CB 3.45Å; H622-P701 WeakPolarHBondContact CD2-CB 3.49Å; H622-P701 WeakPolarHBondContact CD2-CG 3.18Å; V698-P701 HydrophobicContact CB-CB 4.26Å; V698-P701 HydrophobicContact CG1-CB 3.73Å; I699-P701 VanDerWaalsContact C-N 3.3Å
702	N	88.1	Confident	92.3	Very high	91 Å²	91	29.1 Å²	29.1	49%	0.487	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	4.1	-179.3	-62.9	-35	0	0	0	112.7	N700 E704	N700-N702 PolarHBondContact O-N 3.2Å; N700-N702 VanDerWaalsContact O-N 3.14Å; N702-E704 HydrophobicContact CB-CG 3.83Å; N702-E704 PolarHBondContact O-N 3.01Å
703	F	90.9	Very high	92.3	Very high	77 Å²	77	25.9 Å²	25.9	34%	0.338	13%	0.134	S	C	.	.			trans	55	38.5	-176.3	-43.5	-67.2	0	0	0	112.3	T456 M457 N700 V705 F710	T456-F703 VanDerWaalsContact CB-O 3.24Å; T456-F703 WeakPolarHBondContact CB-O 3.49Å; T456-F703 PolarHBondContact OG1-O 3.48Å; M457-F703 HydrophobicContact CE-CB 4.18Å; M457-F703 HydrophobicContact CE-CD1 3.19Å; M457-F703 HydrophobicContact CE-CD2 3.82Å; M457-F703 HydrophobicContact CE-CE1 3.32Å; M457-F703 HydrophobicContact CE-CE2 3.93Å; M457-F703 HydrophobicContact CE-CG 3.44Å; M457-F703 VanDerWaalsContact CE-CG 3.44Å; M457-F703 HydrophobicContact CE-CZ 3.69Å; M457-F703 HydrophobicContact CG-CD2 4.31Å; N700-F703 PolarHBondContact O-N 3.05Å; F703-V705 VanDerWaalsContact C-N 3.29Å; F703-V705 PolarHBondContact O-N 3.36Å; F703-F710 HydrophobicContact CB-CE1 4.33Å; F703-F710 HydrophobicContact CB-CZ 4.34Å; F703-F710 HydrophobicContact CD1-CB 4.39Å; F703-F710 AromaticContact CD1-CD1 3.5Å; F703-F710 HydrophobicContact CD1-CD1 3.5Å; F703-F710 HydrophobicContact CD1-CD2 4.39Å; F703-F710 AromaticContact CD1-CE1 3.66Å; F703-F710 HydrophobicContact CD1-CE1 3.66Å; F703-F710 AromaticContact CD1-CG 3.86Å; F703-F710 HydrophobicContact CD1-CG 3.86Å; F703-F710 HydrophobicContact CD1-CZ 4.16Å; F703-F710 HydrophobicContact CE1-CB 4.04Å; F703-F710 AromaticContact CE1-CD1 3.94Å; F703-F710 HydrophobicContact CE1-CD1 3.94Å; F703-F710 HydrophobicContact CE1-CG 4.02Å; F703-F710 HydrophobicContact CG-CE1 4.48Å
704	E	87	Confident	92.2	Very high	62 Å²	62	27.4 Å²	27.4	29%	0.29	14%	0.144	S	C	.	.			trans	-66.7	-36.5	-174.3	-64.4	-173.9	-173.7	0	0	111.7	R599 M617 N700 N702	R599-E704 WeakPolarHBondContact CD-O 3.04Å; M617-E704 HydrophobicContact CE-CB 4.26Å; N700-E704 PolarHBondContact OD1-N 3.29Å; N702-E704 HydrophobicContact CB-CG 3.83Å; N702-E704 PolarHBondContact O-N 3.01Å
705	V	89.9	Confident	92.2	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.097	14%	0.136	C	C	.	.	S	Bend	trans	-110.5	140.9	174.4	-177.3	0	0	0	0	108.4	F596 R597 R599 M617 N700 F703	F596-V705 HydrophobicContact CD2-CB 4.44Å; F596-V705 HydrophobicContact CD2-CG1 3.89Å; F596-V705 HydrophobicContact CE1-CG2 4.39Å; F596-V705 HydrophobicContact CE2-CB 3.5Å; F596-V705 VanDerWaalsContact CE2-CB 3.5Å; F596-V705 HydrophobicContact CE2-CG1 3.42Å; F596-V705 VanDerWaalsContact CE2-CG1 3.42Å; F596-V705 HydrophobicContact CE2-CG2 4.09Å; F596-V705 HydrophobicContact CZ-CB 3.62Å; F596-V705 HydrophobicContact CZ-CG1 3.86Å; F596-V705 HydrophobicContact CZ-CG2 3.67Å; R597-V705 WeakPolarHBondContact O-CG2 3.46Å; R599-V705 HydrophobicContact CB-CG2 4.3Å; M617-V705 HydrophobicContact CE-CG2 4.27Å; M617-V705 HydrophobicContact SD-CG2 4.26Å; N700-V705 PolarHBondContact ND2-O 3.27Å; F703-V705 VanDerWaalsContact C-N 3.29Å; F703-V705 PolarHBondContact O-N 3.36Å
706	A	91.6	Very high	92.1	Very high	7 Å²	7	28.7 Å²	28.7	6%	0.058	15%	0.149	C	C	.	.			trans	-77.7	139.7	179.2	0	0	0	0	0	111.7	T456 A471 P534	T456-A706 HydrophobicContact CG2-CB 3.8Å; A471-A706 HydrophobicContact CB-CB 4.43Å; A471-A706 WeakPolarHBondContact O-CB 3.21Å; P534-A706 WeakPolarHBondContact CD-O 3.43Å; P534-A706 WeakPolarHBondContact CG-O 3.23Å
707	E	94.6	Very high	92.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.019	14%	0.143	C	C	.	.			trans	-129.6	162.3	178.8	-60	-176.6	-116.3	0	0	110.1	P534 L536 N700 D709 F710 N713	P534-E707 HydrophobicContact CG-CG 4.41Å; P534-E707 CarbonylContact O-C 3.58Å; P534-E707 WeakPolarHBondContact O-CA 3.48Å; P534-E707 WeakPolarHBondContact O-CB 3.5Å; L536-E707 WeakPolarHBondContact CA-OE2 3.41Å; L536-E707 WeakPolarHBondContact CB-OE2 3.33Å; L536-E707 VanDerWaalsContact CG-OE2 3.31Å; L536-E707 WeakPolarHBondContact CG-OE2 3.42Å; L536-E707 PolarHBondContact N-OE2 3.17Å; N700-E707 VanDerWaalsContact CB-OE1 3.3Å; N700-E707 WeakPolarHBondContact CB-OE1 3.43Å; N700-E707 PolarHBondContact ND2-OE1 3.18Å; E707-D709 WeakPolarHBondContact CB-O 3.28Å; E707-F710 HydrophobicContact CB-CD1 4.03Å; E707-F710 HydrophobicContact CB-CE1 3.66Å; E707-F710 HydrophobicContact CB-CE2 4.4Å; E707-F710 HydrophobicContact CB-CZ 3.89Å; E707-F710 HydrophobicContact CG-CD1 4.29Å; E707-F710 HydrophobicContact CG-CE1 3.72Å; E707-F710 HydrophobicContact CG-CZ 4.24Å; E707-F710 VanDerWaalsContact N-CZ 3.34Å; E707-F710 WeakPolarHBondContact OE1-CE1 3.38Å; E707-N713 PolarHBondContact OE1-ND2 3.24Å
708	S	93.6	Very high	91.9	Very high	19 Å²	19	28.4 Å²	28.4	13%	0.133	15%	0.147	C	C	.	.	S	Bend	trans	-77.3	-28.6	176	54.2	0	0	0	0	113.3	F470 P534 D535	F470-S708 VanDerWaalsContact CE1-CB 3.48Å; P534-S708 PolarHBondContact O-N 3.06Å; P534-S708 PolarHBondContact O-OG 3.16Å; D535-S708 WeakPolarHBondContact CB-OG 3.34Å; D535-S708 PolarHBondContact OD2-OG 3.16Å
709	D	91.9	Very high	91.9	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.08	14%	0.142	C	C	.	.			trans	-138.2	140	172.2	-165.5	-3	0	0	0	108.4	R315 E707 T711 N712 N713	R315-D709 VanDerWaalsContact CD-OD2 3.25Å; R315-D709 WeakPolarHBondContact CD-OD2 3.25Å; R315-D709 IonicContact NE-OD2 2.74Å; E707-D709 WeakPolarHBondContact CB-O 3.28Å; D709-T711 VanDerWaalsContact CG-OG1 3.31Å; D709-T711 WeakPolarHBondContact OD1-CB 3.17Å; D709-T711 WeakPolarHBondContact OD1-CG2 3.43Å; D709-T711 PolarHBondContact OD1-N 2.7Å; D709-T711 PolarHBondContact OD1-OG1 2.89Å; D709-T711 PolarHBondContact OD2-OG1 2.74Å; D709-N712 PolarHBondContact O-OD1 2.9Å; D709-N713 PolarHBondContact O-OD1 2.8Å
710	F	91.9	Very high	92	Very high	31 Å²	31	33.7 Å²	33.7	14%	0.136	17%	0.165	C	C	.	.	S	Bend	trans	-116.6	-7.1	173.6	-69.7	-72	0	0	0	111.4	T456 M457 F703 E707 N712 N713	T456-F710 HydrophobicContact CG2-CZ 4.27Å; M457-F710 HydrophobicContact CE-CB 4.21Å; M457-F710 HydrophobicContact CE-CD1 4.43Å; M457-F710 HydrophobicContact CE-CD2 3.35Å; M457-F710 HydrophobicContact CE-CE2 3.64Å; M457-F710 HydrophobicContact CE-CG 3.77Å; M457-F710 HydrophobicContact CE-CZ 4.28Å; M457-F710 HydrophobicContact SD-CD2 4.29Å; M457-F710 HydrophobicContact SD-CE2 4.39Å; F703-F710 HydrophobicContact CB-CE1 4.33Å; F703-F710 HydrophobicContact CB-CZ 4.34Å; F703-F710 HydrophobicContact CD1-CB 4.39Å; F703-F710 AromaticContact CD1-CD1 3.5Å; F703-F710 HydrophobicContact CD1-CD1 3.5Å; F703-F710 HydrophobicContact CD1-CD2 4.39Å; F703-F710 AromaticContact CD1-CE1 3.66Å; F703-F710 HydrophobicContact CD1-CE1 3.66Å; F703-F710 AromaticContact CD1-CG 3.86Å; F703-F710 HydrophobicContact CD1-CG 3.86Å; F703-F710 HydrophobicContact CD1-CZ 4.16Å; F703-F710 HydrophobicContact CE1-CB 4.04Å; F703-F710 AromaticContact CE1-CD1 3.94Å; F703-F710 HydrophobicContact CE1-CD1 3.94Å; F703-F710 HydrophobicContact CE1-CG 4.02Å; F703-F710 HydrophobicContact CG-CE1 4.48Å; E707-F710 HydrophobicContact CB-CD1 4.03Å; E707-F710 HydrophobicContact CB-CE1 3.66Å; E707-F710 HydrophobicContact CB-CE2 4.4Å; E707-F710 HydrophobicContact CB-CZ 3.89Å; E707-F710 HydrophobicContact CG-CD1 4.29Å; E707-F710 HydrophobicContact CG-CE1 3.72Å; E707-F710 HydrophobicContact CG-CZ 4.24Å; E707-F710 VanDerWaalsContact N-CZ 3.34Å; E707-F710 WeakPolarHBondContact OE1-CE1 3.38Å; F710-N712 PolarHBondContact O-N 2.93Å; F710-N713 WeakPolarHBondContact CA-OD1 3.45Å; F710-N713 PolarHBondContact O-N 2.8Å
711	T	89.9	Confident	92.2	Very high	67 Å²	67	34.3 Å²	34.3	41%	0.411	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.5	-174.8	66.5	0	0	0	0	112.3	D709	D709-T711 VanDerWaalsContact CG-OG1 3.31Å; D709-T711 WeakPolarHBondContact OD1-CB 3.17Å; D709-T711 WeakPolarHBondContact OD1-CG2 3.43Å; D709-T711 PolarHBondContact OD1-N 2.7Å; D709-T711 PolarHBondContact OD1-OG1 2.89Å; D709-T711 PolarHBondContact OD2-OG1 2.74Å
712	N	92.3	Very high	92.4	Very high	14 Å²	14	36.4 Å²	36.4	8%	0.075	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.6	177.1	55.9	-15.6	0	0	0	114	D535 V537 D709 F710 I714 I733	D535-N712 PolarHBondContact OD1-ND2 2.85Å; D535-N712 PolarHBondContact OD1-OD1 3.47Å; V537-N712 HydrophobicContact CG2-CB 4.31Å; V537-N712 WeakPolarHBondContact CG2-ND2 3.49Å; D709-N712 PolarHBondContact O-OD1 2.9Å; F710-N712 PolarHBondContact O-N 2.93Å; N712-I714 PolarHBondContact O-N 2.79Å; N712-I733 HydrophobicContact CB-CG2 3.8Å; N712-I733 WeakPolarHBondContact O-CG2 3.18Å
713	N	93.8	Very high	92.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	16%	0.16	C	C	.	.	S	Bend	trans	-72.9	-11.1	178.3	-74.3	43.4	0	0	0	114	V698 I699 E707 D709 F710	V698-N713 WeakPolarHBondContact CA-O 3.24Å; I699-N713 HydrophobicContact CB-CB 4.47Å; I699-N713 PolarHBondContact N-O 2.89Å; I699-N713 WeakPolarHBondContact O-CB 3.07Å; I699-N713 PolarHBondContact O-ND2 2.85Å; E707-N713 PolarHBondContact OE1-ND2 3.24Å; D709-N713 PolarHBondContact O-OD1 2.8Å; F710-N713 WeakPolarHBondContact CA-OD1 3.45Å; F710-N713 PolarHBondContact O-N 2.8Å
714	I	93.6	Very high	92.6	Very high	58 Å²	58	36.2 Å²	36.2	30%	0.297	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	-177.4	-57.4	176.5	0	0	0	108.8	Q696 V697 V698 N712 K716 I733 G734	Q696-I714 HydrophobicContact CG-CG2 3.97Å; V697-I714 WeakPolarHBondContact O-CA 3.46Å; V698-I714 HydrophobicContact CG1-CG1 4.09Å; V698-I714 HydrophobicContact CG2-CG1 4.19Å; V698-I714 HydrophobicContact CG2-CG2 4.44Å; N712-I714 PolarHBondContact O-N 2.79Å; I714-K716 HydrophobicContact CG2-CG 4.22Å; I714-I733 CarbonylContact O-C 3.6Å; I714-I733 WeakPolarHBondContact O-CA 3.37Å; I714-G734 PolarHBondContact O-N 3.06Å
715	M	94.3	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.6	169.2	-175.3	-75.6	-55.2	0	0	109.1	L538 A540 V543 Q696 V697 C717 C731 H732 I733	L538-M715 HydrophobicContact CB-CB 4.23Å; L538-M715 HydrophobicContact CD2-CB 3.58Å; L538-M715 HydrophobicContact CD2-CE 3.79Å; L538-M715 HydrophobicContact CD2-CG 3.89Å; A540-M715 HydrophobicContact CB-CG 3.81Å; V543-M715 HydrophobicContact CB-CE 4.16Å; V543-M715 HydrophobicContact CG1-CE 3.75Å; V543-M715 HydrophobicContact CG2-CE 4.05Å; Q696-M715 VanDerWaalsContact CA-O 3.29Å; Q696-M715 WeakPolarHBondContact CA-O 3.33Å; V697-M715 HydrophobicContact CB-CE 3.79Å; V697-M715 HydrophobicContact CG2-CE 3.53Å; V697-M715 PolarHBondContact N-O 3.22Å; V697-M715 PolarHBondContact O-N 2.89Å; M715-C717 PolarHBondContact SD-SG 3.25Å; M715-C731 HydrophobicContact SD-CB 4.16Å; M715-H732 WeakPolarHBondContact CA-O 3.34Å; M715-I733 HydrophobicContact CB-CD1 3.86Å; M715-I733 HydrophobicContact CG-CD1 3.96Å
716	K	93.3	Very high	93	Very high	64 Å²	64	41.8 Å²	41.8	28%	0.278	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.8	176.1	-66.3	176.8	-174.4	165	0	111.2	L695 Q696 I714 C731 H732 E742	L695-K716 CarbonylContact O-C 3.58Å; L695-K716 VanDerWaalsContact O-CA 3.31Å; L695-K716 WeakPolarHBondContact O-CA 3.41Å; Q696-K716 HydrophobicContact CB-CG 4.48Å; Q696-K716 HydrophobicContact CG-CG 4.26Å; I714-K716 HydrophobicContact CG2-CG 4.22Å; K716-C731 CarbonylContact O-C 3.32Å; K716-C731 WeakPolarHBondContact O-CA 3.42Å; K716-H732 PolarHBondContact N-O 2.8Å; K716-H732 PolarHBondContact O-N 2.86Å; K716-H732 PolarHBondContact O-ND1 2.75Å; K716-E742 IonicContact NZ-OE1 3.66Å
717	C	93.4	Very high	93.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.9	169.2	-47.2	0	0	0	0	110.6	F694 L695 M715 T728 C731	F694-C717 CarbonylContact C-O 3.56Å; F694-C717 VanDerWaalsContact CA-O 3.28Å; F694-C717 WeakPolarHBondContact CA-O 3.36Å; L695-C717 HydrophobicContact CB-CB 4.23Å; L695-C717 PolarHBondContact N-O 2.84Å; L695-C717 PolarHBondContact O-N 2.84Å; M715-C717 PolarHBondContact SD-SG 3.25Å; C717-T728 HydrophobicContact CB-CG2 3.5Å; C717-C731 HydrophobicContact CB-CB 4.04Å; C717-C731 WeakPolarHBondContact CB-SG 3.36Å; C717-C731 VanDerWaalsContact SG-CA 3.58Å; C717-C731 WeakPolarHBondContact SG-CB 3.38Å; C717-C731 CovalentContact SG-SG 2.02Å; C717-C731 PolarHBondContact SG-SG 3.47Å
718	R	92	Very high	93.1	Very high	23 Å²	23	47.3 Å²	47.3	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139	160.2	-81.2	-171.1	172.6	154.8	7.7	109.6	F694 T728 Y729 F745	F694-R718 HydrophobicContact CD1-CG 4.12Å; F694-R718 HydrophobicContact CE1-CG 3.75Å; R718-T728 CarbonylContact O-C 3.51Å; R718-T728 WeakPolarHBondContact O-CA 3.35Å; R718-Y729 HydrophobicContact CB-CD1 4.43Å; R718-Y729 HydrophobicContact CB-CD2 4.03Å; R718-Y729 HydrophobicContact CB-CE1 4.05Å; R718-Y729 HydrophobicContact CB-CE2 3.62Å; R718-Y729 HydrophobicContact CB-CG 4.42Å; R718-Y729 HydrophobicContact CG-CE2 4.3Å; R718-Y729 PolarHBondContact N-O 3.08Å; R718-Y729 PolarHBondContact O-N 3.34Å; R718-F745 HydrophobicContact CG-CD1 4.04Å; R718-F745 HydrophobicContact CG-CE1 4.1Å; R718-F745 VanDerWaalsContact CZ-CD1 3.42Å; R718-F745 VanDerWaalsContact NE-CD1 3.3Å; R718-F745 PolarHBondContact NH2-O 3.1Å
719	T	93.6	Very high	93	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.4	-177.5	-56	0	0	0	0	109.8	Y693 L695 I726 W727	Y693-T719 PolarHBondContact N-O 2.78Å; Y693-T719 PolarHBondContact O-N 3.06Å; Y693-T719 VanDerWaalsContact O-O 3.12Å; L695-T719 WeakPolarHBondContact CB-OG1 3.42Å; T719-I726 HydrophobicContact CG2-CD1 3.27Å; T719-I726 HydrophobicContact CG2-CG1 3.42Å; T719-I726 VanDerWaalsContact CG2-CG1 3.42Å; T719-W727 CarbonylContact C-O 3.43Å; T719-W727 VanDerWaalsContact CA-O 3.27Å; T719-W727 WeakPolarHBondContact CA-O 3.27Å
720	R	95.2	Very high	93	Very high	130 Å²	130	53.2 Å²	53.2	49%	0.491	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	174	-176.2	170.9	-176.2	-179.3	2.6	109.6	D692 I726 W727	D692-R720 WeakPolarHBondContact OD1-CD 3.24Å; D692-R720 VanDerWaalsContact OD1-CG 3.31Å; D692-R720 WeakPolarHBondContact OD1-CG 3.41Å; D692-R720 IonicContact OD1-NE 3.21Å; R720-I726 CarbonylContact O-C 3.55Å; R720-I726 WeakPolarHBondContact O-CA 3.37Å; R720-I726 WeakPolarHBondContact O-CG1 3.47Å; R720-W727 HydrophobicContact CB-CE3 4.35Å; R720-W727 HydrophobicContact CG-CE3 4.35Å; R720-W727 PolarHBondContact N-O 2.9Å; R720-W727 PolarHBondContact O-N 2.57Å
721	Y	96.3	Very high	93	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.8	-179.3	174.3	-130.2	0	0	0	109.9	L549 R580 I685 V688 K689 P690 G691 G723 R725	L549-Y721 HydrophobicContact CD1-CD2 4.15Å; L549-Y721 HydrophobicContact CD1-CE2 3.81Å; R580-Y721 VanDerWaalsContact CD-OH 3.24Å; R580-Y721 WeakPolarHBondContact CD-OH 3.45Å; R580-Y721 PolarHBondContact NH1-OH 2.71Å; I685-Y721 HydrophobicContact CD1-CD2 4.37Å; I685-Y721 HydrophobicContact CD1-CE1 4.4Å; I685-Y721 HydrophobicContact CD1-CE2 4.08Å; V688-Y721 HydrophobicContact CG1-CD1 4.4Å; V688-Y721 WeakPolarHBondContact O-CE1 3.45Å; K689-Y721 WeakPolarHBondContact O-CD1 3.31Å; P690-Y721 CarbonylContact C-O 3.52Å; P690-Y721 WeakPolarHBondContact CA-O 3.33Å; P690-Y721 WeakPolarHBondContact CB-O 3.39Å; G691-Y721 PolarHBondContact N-O 2.93Å; G691-Y721 PolarHBondContact O-N 3.35Å; Y721-G723 VanDerWaalsContact CZ-CA 3.5Å; Y721-R725 WeakPolarHBondContact CD2-O 3.39Å
722	D	94	Very high	93	Very high	68 Å²	68	50.2 Å²	50.2	36%	0.364	23%	0.225	S	C	.	.			trans	-101	0.9	-178.9	72.2	0.5	0	0	0	114	H724 R725 W727	D722-H724 WeakPolarHBondContact OD1-CA 3.31Å; D722-H724 PolarHBondContact OD1-N 3.04Å; D722-R725 PolarHBondContact N-O 3.31Å; D722-R725 VanDerWaalsContact N-O 3.16Å; D722-R725 PolarHBondContact OD1-N 3.05Å; D722-R725 VanDerWaalsContact OD1-O 3.12Å; D722-W727 HydrophobicContact CB-CH2 4.42Å; D722-W727 HydrophobicContact CB-CZ3 3.98Å; D722-W727 VanDerWaalsContact OD2-CH2 3.24Å; D722-W727 WeakPolarHBondContact OD2-CH2 3.39Å
723	G	91.6	Very high	93	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	94.9	-7.4	-173.9	0	0	0	0	0	114.6	R580 Y721	R580-G723 PolarHBondContact NH1-O 2.71Å; Y721-G723 VanDerWaalsContact CZ-CA 3.5Å
724	H	91.9	Very high	92.5	Very high	152 Å²	152	50.4 Å²	50.4	70%	0.704	23%	0.228	S	C	*	.	S	Bend	trans	-133.7	-34	177.9	-63.4	-69.6	0	0	0	112.9	D722	D722-H724 WeakPolarHBondContact OD1-CA 3.31Å; D722-H724 PolarHBondContact OD1-N 3.04Å
725	R	91.3	Very high	91.8	Very high	171 Å²	171	48.6 Å²	48.6	65%	0.645	22%	0.224	S	C	*	.			trans	-132.9	158.8	-178.5	-64.9	-178.8	-176.6	178.2	1	109.5	Y721 D722 W727	Y721-R725 WeakPolarHBondContact CD2-O 3.39Å; D722-R725 PolarHBondContact N-O 3.31Å; D722-R725 VanDerWaalsContact N-O 3.16Å; D722-R725 PolarHBondContact OD1-N 3.05Å; D722-R725 VanDerWaalsContact OD1-O 3.12Å; R725-W727 HydrophobicContact CB-CH2 3.94Å; R725-W727 HydrophobicContact CB-CZ2 4.11Å; R725-W727 HydrophobicContact CB-CZ3 4.28Å
726	I	92.4	Very high	91.3	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.5	174	-153.2	169.1	0	0	0	109.4	T547 L549 L582 T719 R720	T547-I726 HydrophobicContact CG2-CG2 4.2Å; L549-I726 HydrophobicContact CD1-CB 4.09Å; L549-I726 HydrophobicContact CD1-CG2 4.4Å; L549-I726 HydrophobicContact CD2-CB 4.11Å; L549-I726 HydrophobicContact CD2-CD1 4.31Å; L549-I726 HydrophobicContact CD2-CG2 3.91Å; L549-I726 HydrophobicContact CG-CB 3.97Å; L549-I726 HydrophobicContact CG-CG2 3.74Å; L582-I726 HydrophobicContact CD1-CD1 3.52Å; L582-I726 HydrophobicContact CD1-CG2 3.84Å; L582-I726 HydrophobicContact CD2-CD1 3.74Å; L582-I726 HydrophobicContact CG-CD1 4.2Å; T719-I726 HydrophobicContact CG2-CD1 3.27Å; T719-I726 HydrophobicContact CG2-CG1 3.42Å; T719-I726 VanDerWaalsContact CG2-CG1 3.42Å; R720-I726 CarbonylContact O-C 3.55Å; R720-I726 WeakPolarHBondContact O-CA 3.37Å; R720-I726 WeakPolarHBondContact O-CG1 3.47Å
727	W	94.6	Very high	90.8	Very high	109 Å²	109	48.7 Å²	48.7	41%	0.413	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.6	172.2	-62	-88.2	0	0	0	108.4	T719 R720 D722 R725 Y729	T719-W727 CarbonylContact C-O 3.43Å; T719-W727 VanDerWaalsContact CA-O 3.27Å; T719-W727 WeakPolarHBondContact CA-O 3.27Å; R720-W727 HydrophobicContact CB-CE3 4.35Å; R720-W727 HydrophobicContact CG-CE3 4.35Å; R720-W727 PolarHBondContact N-O 2.9Å; R720-W727 PolarHBondContact O-N 2.57Å; D722-W727 HydrophobicContact CB-CH2 4.42Å; D722-W727 HydrophobicContact CB-CZ3 3.98Å; D722-W727 VanDerWaalsContact OD2-CH2 3.24Å; D722-W727 WeakPolarHBondContact OD2-CH2 3.39Å; R725-W727 HydrophobicContact CB-CH2 3.94Å; R725-W727 HydrophobicContact CB-CZ2 4.11Å; R725-W727 HydrophobicContact CB-CZ3 4.28Å; W727-Y729 HydrophobicContact CB-CD1 4.45Å
728	T	93.9	Very high	90	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.6	175.4	-62.6	0	0	0	0	107.8	T547 L695 C717 R718 C731	T547-T728 WeakPolarHBondContact CG2-OG1 3.28Å; L695-T728 HydrophobicContact CD2-CG2 4.33Å; C717-T728 HydrophobicContact CB-CG2 3.5Å; R718-T728 CarbonylContact O-C 3.51Å; R718-T728 WeakPolarHBondContact O-CA 3.35Å; T728-C731 VanDerWaalsContact CG2-SG 3.58Å
729	Y	92.6	Very high	89.1	Confident	79 Å²	79	50.7 Å²	50.7	31%	0.31	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.1	-173.5	59.1	-84	0	0	0	111.6	E544 R718 W727 C731	E544-Y729 WeakPolarHBondContact OE1-CA 3.45Å; R718-Y729 HydrophobicContact CB-CD1 4.43Å; R718-Y729 HydrophobicContact CB-CD2 4.03Å; R718-Y729 HydrophobicContact CB-CE1 4.05Å; R718-Y729 HydrophobicContact CB-CE2 3.62Å; R718-Y729 HydrophobicContact CB-CG 4.42Å; R718-Y729 HydrophobicContact CG-CE2 4.3Å; R718-Y729 PolarHBondContact N-O 3.08Å; R718-Y729 PolarHBondContact O-N 3.34Å; W727-Y729 HydrophobicContact CB-CD1 4.45Å; Y729-C731 VanDerWaalsContact C-N 3.26Å; Y729-C731 PolarHBondContact O-N 2.67Å
730	N	90.7	Very high	87.8	Confident	78 Å²	78	55.6 Å²	55.6	42%	0.417	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	42.1	-177.3	-61.5	-1	0	0	0	111.8	E544 H732 F745	E544-N730 PolarHBondContact OE1-N 2.99Å; E544-N730 PolarHBondContact OE2-N 2.88Å; N730-H732 PolarHBondContact O-N 3.22Å; N730-H732 PolarHBondContact O-ND1 2.77Å; N730-F745 HydrophobicContact CB-CE1 3.98Å; N730-F745 HydrophobicContact CB-CZ 4Å
731	C	92.2	Very high	86.6	Confident	17 Å²	17	52 Å²	52	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	131.5	173.8	-66.9	0	0	0	0	109.9	A540 E544 M715 K716 C717 T728 Y729	A540-C731 HydrophobicContact CB-CB 4.02Å; A540-C731 WeakPolarHBondContact O-CB 3.24Å; E544-C731 HydrophobicContact CB-CB 3.96Å; E544-C731 VanDerWaalsContact CB-SG 3.51Å; E544-C731 HydrophobicContact CG-CB 4.43Å; E544-C731 WeakPolarHBondContact OE2-CB 3.43Å; E544-C731 PolarHBondContact OE2-N 2.81Å; M715-C731 HydrophobicContact SD-CB 4.16Å; K716-C731 CarbonylContact O-C 3.32Å; K716-C731 WeakPolarHBondContact O-CA 3.42Å; C717-C731 HydrophobicContact CB-CB 4.04Å; C717-C731 WeakPolarHBondContact CB-SG 3.36Å; C717-C731 VanDerWaalsContact SG-CA 3.58Å; C717-C731 WeakPolarHBondContact SG-CB 3.38Å; C717-C731 CovalentContact SG-SG 2.02Å; C717-C731 PolarHBondContact SG-SG 3.47Å; T728-C731 VanDerWaalsContact CG2-SG 3.58Å; Y729-C731 VanDerWaalsContact C-N 3.26Å; Y729-C731 PolarHBondContact O-N 2.67Å
732	H	90.9	Very high	85.2	Confident	19 Å²	19	53.7 Å²	53.7	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.7	179.1	59	-80.9	0	0	0	111.3	M715 K716 N730 F737 F745	M715-H732 WeakPolarHBondContact CA-O 3.34Å; K716-H732 PolarHBondContact N-O 2.8Å; K716-H732 PolarHBondContact O-N 2.86Å; K716-H732 PolarHBondContact O-ND1 2.75Å; N730-H732 PolarHBondContact O-N 3.22Å; N730-H732 PolarHBondContact O-ND1 2.77Å; H732-F737 HydrophobicContact CB-CD2 4.41Å; H732-F737 HydrophobicContact CB-CE2 3.75Å; H732-F737 AromaticContact CD2-CD2 3.49Å; H732-F737 VanDerWaalsContact CD2-CD2 3.49Å; H732-F737 WeakPolarHBondContact CD2-CD2 3.43Å; H732-F737 AromaticContact CD2-CE2 3.67Å; H732-F737 AromaticContact CG-CD2 3.84Å; H732-F737 AromaticContact CG-CE2 3.49Å; H732-F737 VanDerWaalsContact CG-CE2 3.49Å; H732-F737 AromaticContact ND1-CE2 3.87Å; H732-F737 AromaticContact NE2-CD2 3.78Å; H732-F745 AromaticContact CE1-CZ 3.94Å
733	I	91.8	Very high	83.5	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.6	174.6	-55.1	-59.7	0	0	0	109.6	V537 L538 A540 N712 I714 M715 T736	V537-I733 HydrophobicContact CG1-CD1 4.07Å; V537-I733 HydrophobicContact CG1-CG1 4.02Å; V537-I733 HydrophobicContact CG1-CG2 4.49Å; L538-I733 HydrophobicContact CB-CD1 4.16Å; L538-I733 WeakPolarHBondContact O-CD1 3.16Å; A540-I733 HydrophobicContact CB-CD1 4.33Å; N712-I733 HydrophobicContact CB-CG2 3.8Å; N712-I733 WeakPolarHBondContact O-CG2 3.18Å; I714-I733 CarbonylContact O-C 3.6Å; I714-I733 WeakPolarHBondContact O-CA 3.37Å; M715-I733 HydrophobicContact CB-CD1 3.86Å; M715-I733 HydrophobicContact CG-CD1 3.96Å; I733-T736 WeakPolarHBondContact CB-OG1 3.27Å; I733-T736 WeakPolarHBondContact O-CB 3.44Å; I733-T736 PolarHBondContact O-N 3.04Å; I733-T736 VanDerWaalsContact O-N 3.09Å; I733-T736 PolarHBondContact O-OG1 3.34Å
734	G	82.5	Confident	81.8	Confident	9 Å²	9	60.6 Å²	60.6	9%	0.093	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	138.3	177.1	0	0	0	0	0	110.9	I714 T736	I714-G734 PolarHBondContact O-N 3.06Å; G734-T736 PolarHBondContact O-N 2.7Å
735	G	79.3	Confident	79.9	Confident	20 Å²	20	55 Å²	55	21%	0.206	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	8.1	-176.9	0	0	0	0	0	115.6	R313 W333 E742	R313-G735 PolarHBondContact NH1-O 3.17Å; R313-G735 PolarHBondContact NH2-O 3.41Å; R313-G735 VanDerWaalsContact NH2-O 3.08Å; W333-G735 VanDerWaalsContact CD1-O 3.24Å; G735-E742 PolarHBondContact N-OE2 3.21Å
736	T	83.4	Confident	77.5	Confident	20 Å²	20	51.4 Å²	51.4	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-72.7	-32.3	167.3	-52.9	0	0	0	0	111	E332 W333 I733 G734	E332-T736 CarbonylContact C-O 3.55Å; E332-T736 HydrophobicContact CG-CG2 4.05Å; W333-T736 WeakPolarHBondContact CB-O 3.45Å; W333-T736 PolarHBondContact N-O 3.08Å; I733-T736 WeakPolarHBondContact CB-OG1 3.27Å; I733-T736 WeakPolarHBondContact O-CB 3.44Å; I733-T736 PolarHBondContact O-N 3.04Å; I733-T736 VanDerWaalsContact O-N 3.09Å; I733-T736 PolarHBondContact O-OG1 3.34Å; G734-T736 PolarHBondContact O-N 2.7Å
737	F	82.9	Confident	75.2	Confident	45 Å²	45	53.2 Å²	53.2	20%	0.197	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-97.6	162.9	176.6	-66.1	-61.6	0	0	0	112.4	G331 E332 H732 V741	G331-F737 CarbonylContact O-C 3.59Å; G331-F737 WeakPolarHBondContact O-CA 3.21Å; G331-F737 WeakPolarHBondContact O-CD1 3.24Å; E332-F737 HydrophobicContact CB-CD1 3.98Å; E332-F737 HydrophobicContact CB-CE1 3.93Å; E332-F737 HydrophobicContact CG-CD1 4.12Å; E332-F737 HydrophobicContact CG-CE1 3.82Å; H732-F737 HydrophobicContact CB-CD2 4.41Å; H732-F737 HydrophobicContact CB-CE2 3.75Å; H732-F737 AromaticContact CD2-CD2 3.49Å; H732-F737 VanDerWaalsContact CD2-CD2 3.49Å; H732-F737 WeakPolarHBondContact CD2-CD2 3.43Å; H732-F737 AromaticContact CD2-CE2 3.67Å; H732-F737 AromaticContact CG-CD2 3.84Å; H732-F737 AromaticContact CG-CE2 3.49Å; H732-F737 VanDerWaalsContact CG-CE2 3.49Å; H732-F737 AromaticContact ND1-CE2 3.87Å; H732-F737 AromaticContact NE2-CD2 3.78Å; F737-V741 HydrophobicContact CB-CB 4.13Å; F737-V741 HydrophobicContact CB-CG1 3.91Å; F737-V741 HydrophobicContact CD1-CG1 4.15Å; F737-V741 HydrophobicContact CG-CG1 3.98Å
738	S	77.6	Confident	72.4	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.035	32%	0.322	C	S	.	.			trans	-58.7	151.4	167.3	55.9	0	0	0	0	111.5	G331 D740 V741 E742	G331-S738 PolarHBondContact O-N 3.18Å; G331-S738 PolarHBondContact O-OG 3.32Å; S738-D740 PolarHBondContact O-N 3.5Å; S738-V741 PolarHBondContact O-N 2.62Å; S738-V741 VanDerWaalsContact O-N 3.1Å; S738-V741 VanDerWaalsContact OG-CB 3.24Å; S738-V741 WeakPolarHBondContact OG-CB 3.44Å; S738-V741 WeakPolarHBondContact OG-CG2 3.42Å; S738-V741 PolarHBondContact OG-N 2.81Å; S738-E742 WeakPolarHBondContact O-CB 3.39Å; S738-E742 PolarHBondContact O-N 3.04Å
739	S	73.4	Confident	69.7	Low	63 Å²	63	62.1 Å²	62.1	44%	0.441	36%	0.358	S	S	.	.	H	α-helix	trans	-55.2	-39.6	175.2	53.5	0	0	0	0	111.5	E742 D743	S739-E742 PolarHBondContact O-N 2.8Å; S739-D743 WeakPolarHBondContact O-CB 3.44Å; S739-D743 PolarHBondContact O-N 2.76Å
740	D	65.4	Low	66.9	Low	103 Å²	103	64.3 Å²	64.3	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-65.8	-44.6	178.8	-64.2	-11.6	0	0	0	110.8	S738 D743 T744	S738-D740 PolarHBondContact O-N 3.5Å; D740-D743 PolarHBondContact O-N 2.83Å; D740-T744 WeakPolarHBondContact O-CA 3.44Å; D740-T744 WeakPolarHBondContact O-CB 3.15Å; D740-T744 PolarHBondContact O-N 2.88Å; D740-T744 PolarHBondContact O-OG1 2.63Å
741	V	69.3	Low	64.3	Low	54 Å²	54	67.9 Å²	67.9	33%	0.327	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-41	177	171.2	0	0	0	0	111.2	F737 S738 D743 T744 F745	F737-V741 HydrophobicContact CB-CB 4.13Å; F737-V741 HydrophobicContact CB-CG1 3.91Å; F737-V741 HydrophobicContact CD1-CG1 4.15Å; F737-V741 HydrophobicContact CG-CG1 3.98Å; S738-V741 PolarHBondContact O-N 2.62Å; S738-V741 VanDerWaalsContact O-N 3.1Å; S738-V741 VanDerWaalsContact OG-CB 3.24Å; S738-V741 WeakPolarHBondContact OG-CB 3.44Å; S738-V741 WeakPolarHBondContact OG-CG2 3.42Å; S738-V741 PolarHBondContact OG-N 2.81Å; V741-D743 VanDerWaalsContact C-N 3.32Å; V741-D743 PolarHBondContact O-N 3.22Å; V741-T744 CarbonylContact O-C 3.54Å; V741-T744 PolarHBondContact O-N 3.02Å; V741-F745 HydrophobicContact CG1-CE2 4.48Å; V741-F745 WeakPolarHBondContact O-CD2 3.46Å; V741-F745 PolarHBondContact O-N 3.09Å; V741-F745 VanDerWaalsContact O-N 3.16Å
742	E	68.1	Low	61.3	Low	49 Å²	49	75.9 Å²	75.9	23%	0.229	44%	0.435	C	S	.	.	H	α-helix	trans	-65.8	-35.1	178.2	-160.4	164	174.8	0	0	111.5	K716 G735 S738 S739 F745	K716-E742 IonicContact NZ-OE1 3.66Å; G735-E742 PolarHBondContact N-OE2 3.21Å; S738-E742 WeakPolarHBondContact O-CB 3.39Å; S738-E742 PolarHBondContact O-N 3.04Å; S739-E742 PolarHBondContact O-N 2.8Å; E742-F745 WeakPolarHBondContact O-CB 3.42Å
743	D	58.1	Low	58.4	Low	127 Å²	127	82 Å²	82	68%	0.679	47%	0.467	S	S	*	.	H	α-helix	trans	-79.3	-27.3	172.6	-71.6	-21.4	0	0	0	112.7	S739 D740 V741 F745 P746	S739-D743 WeakPolarHBondContact O-CB 3.44Å; S739-D743 PolarHBondContact O-N 2.76Å; D740-D743 PolarHBondContact O-N 2.83Å; V741-D743 VanDerWaalsContact C-N 3.32Å; V741-D743 PolarHBondContact O-N 3.22Å; D743-F745 PolarHBondContact O-N 3.35Å; D743-P746 VanDerWaalsContact O-CD 3.31Å; D743-P746 WeakPolarHBondContact O-CD 3.5Å
744	T	55.1	Low	55.3	Low	99 Å²	99	86.8 Å²	86.8	61%	0.607	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	18.1	172.3	-37	0	0	0	0	111.9	D740 V741 P746	D740-T744 WeakPolarHBondContact O-CA 3.44Å; D740-T744 WeakPolarHBondContact O-CB 3.15Å; D740-T744 PolarHBondContact O-N 2.88Å; D740-T744 PolarHBondContact O-OG1 2.63Å; V741-T744 CarbonylContact O-C 3.54Å; V741-T744 PolarHBondContact O-N 3.02Å; T744-P746 WeakPolarHBondContact O-CD 3.11Å
745	F	52.7	Low	52.9	Low	35 Å²	35	94.7 Å²	94.7	15%	0.154	54%	0.536	C	S	.	.			trans	-75.8	38.8	157	-99.8	-99.3	0	0	0	115.4	F694 R718 N730 H732 V741 E742 D743	F694-F745 HydrophobicContact CE1-CD1 4.41Å; R718-F745 HydrophobicContact CG-CD1 4.04Å; R718-F745 HydrophobicContact CG-CE1 4.1Å; R718-F745 VanDerWaalsContact CZ-CD1 3.42Å; R718-F745 VanDerWaalsContact NE-CD1 3.3Å; R718-F745 PolarHBondContact NH2-O 3.1Å; N730-F745 HydrophobicContact CB-CE1 3.98Å; N730-F745 HydrophobicContact CB-CZ 4Å; H732-F745 AromaticContact CE1-CZ 3.94Å; V741-F745 HydrophobicContact CG1-CE2 4.48Å; V741-F745 WeakPolarHBondContact O-CD2 3.46Å; V741-F745 PolarHBondContact O-N 3.09Å; V741-F745 VanDerWaalsContact O-N 3.16Å; E742-F745 WeakPolarHBondContact O-CB 3.42Å; D743-F745 PolarHBondContact O-N 3.35Å
746	P	40.7	Very low	50.5	Low	95 Å²	95	108.7 Å²	108.7	62%	0.617	58%	0.583	S	S	*	*	S	Bend	trans	-102.2	113.5	145.2	27.5	-10.2	0	0	0	110.1	D743 T744	D743-P746 VanDerWaalsContact O-CD 3.31Å; D743-P746 WeakPolarHBondContact O-CD 3.5Å; T744-P746 WeakPolarHBondContact O-CD 3.11Å
747	G	43.8	Very low	48.8	Very low	61 Å²	61	113.2 Å²	113.2	63%	0.629	61%	0.606	S	S	*	*			trans	69.7	105.2	162.4	0	0	0	0	0	117.6
748	L	34.9	Very low	47	Very low	148 Å²	148	116.7 Å²	116.7	78%	0.775	63%	0.627	S	S	*	*			trans	-117.3	100.3	150.8	-105.3	158.3	0	0	0	108.6	T750	L748-T750 PolarHBondContact O-N 3.47Å; L748-T750 VanDerWaalsContact O-N 3.16Å
749	L	39.1	Very low	45.3	Very low	167 Å²	167	122.9 Å²	122.9	87%	0.874	66%	0.66	S	S	*	*			trans	-57.1	101	162.1	-73.5	144.8	0	0	0	108.6
750	T	33.7	Very low	43.7	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	67%	0.673	S	S	*	*			trans	-164.4	112.2	139	29.9	0	0	0	0	109	L748 Q752	L748-T750 PolarHBondContact O-N 3.47Å; L748-T750 VanDerWaalsContact O-N 3.16Å; T750-Q752 PolarHBondContact O-N 3.46Å
751	N	36.2	Very low	42.3	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	68%	0.681	S	S	*	*			trans	-60.1	111.4	160.7	-74.2	-30.7	0	0	0	108.4
752	Q	28.3	Very low	40.5	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	70%	0.704	S	S	*	*			trans	-128.8	89.4	146.5	-75.2	-158.7	-8.9	0	0	108.8	T750 S754	T750-Q752 PolarHBondContact O-N 3.46Å; Q752-S754 PolarHBondContact O-N 2.89Å; Q752-S754 VanDerWaalsContact O-N 3.12Å
753	L	30	Very low	38.6	Very low	148 Å²	148	138.9 Å²	138.9	78%	0.775	74%	0.738	S	S	*	*			trans	-62	102.9	152.3	-80.5	155.5	0	0	0	106.7	H755	L753-H755 PolarHBondContact O-N 3.36Å; L753-H755 VanDerWaalsContact O-N 3.14Å
754	S	27.4	Very low	37.1	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	74%	0.743	S	S	*	*			trans	-68.8	105.9	162.2	126.9	0	0	0	0	106.7	Q752 R756	Q752-S754 PolarHBondContact O-N 2.89Å; Q752-S754 VanDerWaalsContact O-N 3.12Å; S754-R756 PolarHBondContact O-N 3.09Å
755	H	30.5	Very low	35.6	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.815	75%	0.754	S	S	*	*			trans	-65.8	117.6	163.9	-87.6	-81	0	0	0	109	L753	L753-H755 PolarHBondContact O-N 3.36Å; L753-H755 VanDerWaalsContact O-N 3.14Å
756	R	29.4	Very low	34	Very low	314 Å²	314	153 Å²	153	100%	1.185	81%	0.809	S	S	*	*			trans	-135.8	0	137.2	-94.1	-170.8	178.8	179.6	0.8	109.4	S754	S754-R756 PolarHBondContact O-N 3.09Å

Retrieved 756 of 756 residues in 346.9 ms (Link to these results)

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